smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(/C=C2\CCCC(=C3SCCCS3)C2=O)c2c1OCO2 1084093 ROEXKAFVEGAKMS-WYMLVPIESA-N 402.581 5.931 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c1 2100857 CSANHKRWZTVPCZ-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic Cc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3C)c(C)c2)cc1C 2842693 BQYYFSFBDLMIOB-GKTLAHRSSA-N 416.568 8.088 30 40 HKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])CC1 4182194 KOCXKVGQTPJDGM-ZVHZXABRSA-N 408.527 5.394 30 40 HKEB CCCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)O)c2)cc1 5269450 GAKQVEXHYACUBY-YRNVUSSQSA-N 414.523 5.088 30 40 HKEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 6402412 NZLVVVYDFJFVRT-MHWRWJLKSA-N 418.537 6.529 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 7343335 JKWUNPHMNDWXRY-AFUMVMLFSA-N 420.900 5.260 30 40 HKEB CSC(=Nc1ccc(/C=C/c2ccc(N=C(SC)SC)cc2)cc1)SC 13409716 CBTZRSAFQVVSGD-AATRIKPKSA-N 418.678 7.284 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 18056654 SFZWMJQKPQCPSX-HSZRJFAPSA-N 418.512 5.377 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc2ccccc12 59461922 XUAQPJGEWJUTGM-ZCYQVOJMSA-N 405.497 5.882 30 40 HKEB N#CCCSc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 95944785 IRYRIKMJQHDFCN-JOCHJYFZSA-N 404.560 6.164 30 40 HKEB CCCCCCCCN(CCCCCCCC)[C@@H](C)[C@H](O)c1ccc(Cl)cc1 100691168 LOECSSCDXGDTPJ-DHLKQENFSA-N 410.086 7.785 30 40 HKEB CCCCCCCCOc1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1 105424948 NZHPZGKFSWBNSM-UHFFFAOYSA-N 417.509 5.725 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916139 VIELWYIXEODCTJ-HMQVCEEZSA-N 405.626 6.748 30 40 HKEB Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1Br 166751863 LSVFIWYYCPKMOK-RGVLZGJSSA-N 420.104 6.299 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)S1 408721477 RGDJBMZMQBSXTJ-CHHVJCJISA-N 408.266 5.102 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccc3ccccc23)sc2c1CCCC2 408853474 UFFPDMCYBZVBCZ-PKAZHMFMSA-N 410.542 6.783 30 40 HKEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C 408929445 JOTUZMRIBAJKAH-DVTIZWKLSA-N 407.322 5.104 30 40 HKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 408950454 FEFHVBIJDCZLCY-NXZXOXKRSA-N 403.507 5.110 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)S2)cc1 408960943 JYDOHPNVBDXMKG-HYARGMPZSA-N 417.534 5.053 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409203559 YCUSXJJEYQISOG-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3c[nH]c4ccccc34)c(C#N)c2-c2ccc(C)cc2)cc1 409361570 TVYIGNZGOWKFTL-KBVAKVRCSA-N 415.496 7.334 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585295106 LXLOXCAQASMCME-FQEVSTJZSA-N 423.611 5.750 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@H]1O 888075751 LWQQLNNNIPYSNX-JGKDXJGMSA-N 412.614 5.091 30 40 HKEB CCCCCCCCCn1c(=O)c(-c2nc3ccccc3[nH]2)c(O)c2ccccc21 2272809 WROKKDBMQLWYHK-UHFFFAOYSA-N 403.526 6.001 30 40 HKEB Brc1ccc(/C=C/C=N/c2cccc(-c3nc4ccccc4o3)c2)cc1 2756743 FTJNKMIPBWPXJL-BAQHSMLZSA-N 403.279 6.673 30 40 HKEB N#Cc1cccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1 4244380 ZMIVZXQWDJSTSC-UHFFFAOYSA-N 400.482 5.296 30 40 HKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 4705049 RZAQRDNNVKEURX-BUVRLJJBSA-N 413.389 6.199 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 8715768 PSRRLRISYKWDRS-HXUWFJFHSA-N 407.828 5.262 30 40 HKEB N#Cc1c(-c2ccccc2C(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)nc1O 8873828 GCCXWKPGVBJQIZ-UHFFFAOYSA-N 409.194 6.318 30 40 HKEB Clc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 9196152 VLIBIWYNVRNOTJ-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB Sc1nnc(-c2ccccc2Br)n1/N=C/C(Cl)=C\c1ccccc1 9359494 HAKZMRHGSWHRFI-WUBIALHOSA-N 419.735 5.110 30 40 HKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 10118707 KEVQIPCOTAKNEZ-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)c(Cl)c1 13286413 XREXMSNLJMEALJ-MGXYOJEMSA-N 415.971 5.642 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl 17027909 FUHXBCCVSLSSJB-HSZRJFAPSA-N 408.929 5.893 30 40 HKEB COc1ccc(CN/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC 20195882 JFWTVPWJXHLPKE-LGJNPRDNSA-N 404.388 5.106 30 40 HKEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 27562704 FCPLJLMKORRQJO-QFIPXVFZSA-N 420.944 5.814 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C)c1 30738655 JHKLPASYVDPXFD-ZMPCKTLKSA-N 423.607 6.159 30 40 HKEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085693 KGXPREJFXNDBPR-UHFFFAOYSA-N 413.930 5.129 30 40 HKEB Cc1nc2cnc3ccc(Br)cc3c2n1-c1ccc(C(C)(C)C#N)cc1 98181636 FLNZOSVLPXDSKI-UHFFFAOYSA-N 405.299 5.446 30 40 HKEB Fc1ccc(F)c(-c2nnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n23)c1 100917334 HDKGRMGQWTZMHV-UHFFFAOYSA-N 418.247 5.260 30 40 HKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224729648 XCKKHNVKUPXGQG-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=Nc1ccccc1 260565183 HFYZNHSQJURUOB-DRIWLZCMSA-N 417.578 5.942 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)o2)cc1 408930998 FXAJBRKVSCAZOQ-MXAYSNPKSA-N 402.372 5.588 30 40 HKEB CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409044406 CPXFSEXPMWVCHT-UHFFFAOYSA-N 420.336 5.483 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 409110474 WHXUQVWCGRPMKM-UHFFFAOYSA-N 401.550 6.540 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 409328793 BAFWASLXYMWSEJ-ZHZULCJRSA-N 411.548 5.364 30 40 HKEB N#Cc1c(N)sc(Nc2ccccc2)c1C(=O)c1ccc(Br)s1 1073899 AHXQXBSOBLCWES-UHFFFAOYSA-N 404.314 5.001 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCC1OCCO1 2356920 YFKOPUPBYIZCCI-UHFFFAOYSA-N 412.511 5.343 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCN3CCCCC3)n2)cc1 4952423 BCWVVXNTRWQOBS-UHFFFAOYSA-N 413.590 6.174 30 40 HKEB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C#N)c(Cl)c1 5724373 AOMRCYKNEXBFFA-UHFFFAOYSA-N 406.656 5.734 30 40 HKEB CO/N=C(/CSc1ccccc1C(=O)OC)c1sc(-c2ccccc2)nc1C 5749368 VEEGVTZCOOIQSA-QJOMJCCJSA-N 412.536 5.048 30 40 HKEB CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 16609910 PLXKQCRMTIVCSQ-CVKSISIWSA-N 422.912 6.027 30 40 HKEB O=C(Nc1sc(N/N=C/c2cccs2)nc1-c1ccc(F)cc1)c1ccccc1 16751631 RNENSEPVTVAIHM-YDZHTSKRSA-N 422.510 5.709 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)c2cccs2)S/C1=N\c1cccc2ccccc12 16758333 WVZAXRVHZJYWSM-LPNGOHTBSA-N 406.532 5.292 30 40 HKEB C[C@@H](/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3CC(CC(C3)C1)C2 19720650 XQLGGNDZRGTHSF-NKUOKMDWSA-N 407.308 5.087 30 40 HKEB COc1cc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 95930987 NOLULOSBETUJKL-YPKPFQOOSA-N 404.462 5.188 30 40 HKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)nsc1/C=C/Nc1ccccc1 100394305 RIIWKWDNZRQXRK-CMDGGOBGSA-N 418.374 6.697 30 40 HKEB Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c(C)c1 101650595 XEHYYJGMMUAIAJ-NZXNHFJFSA-N 423.582 5.325 30 40 HKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccc(C(F)(F)F)cc1)[Si](C)(C)C 197882134 JZSSXFZUAVSSTN-VZCXRCSSSA-N 404.624 6.688 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)cc1 408802500 YJWQZDAERKMIOB-VYYCAZPPSA-N 412.411 5.782 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408851720 FKLCHWAIBABRRG-RJXHXUQZSA-N 420.578 6.268 30 40 HKEB Cc1cccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1C 409014540 MULVHBQFRUNTEH-WPWMEQJKSA-N 416.590 7.027 30 40 HKEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(-c2ccccc2)cc1 409051196 ADJMQIQJYBMNKG-PCLIKHOPSA-N 414.490 6.221 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 409200842 JNDZMOLILQGBNS-VULFUBBASA-N 414.332 7.030 30 40 HKEB CCc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409202775 SCDWXXQELBDTNM-CVKSISIWSA-N 406.913 5.979 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc(Cl)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 409360463 QEUPDIXGYJKVRO-MUFRIFMGSA-N 410.904 7.506 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)s1 1531297113 NHWOLMDZOLXTJO-KTMXNEEYSA-N 424.751 5.270 30 40 HKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 1052271 ISFYUHLPANTCGD-ZVHZXABRSA-N 404.422 5.190 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)c1O 1311032 XYCOXEKDONYOQM-WYMPLXKRSA-N 423.391 5.069 30 40 HKEB C/C(=N/OCc1ccc(C(F)(F)F)cc1)c1cccc(N2Cc3ccccc3C2)c1 4051081 SQNCFVGJRYHQCD-QRQIAZFYSA-N 410.439 6.166 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 4565085 RRGHRVIMQASNHL-LPYMAVHISA-N 411.255 5.687 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Sc1ncccc1[N+](=O)[O-] 13575381 GENSESQMUOXPJC-UHFFFAOYSA-N 402.357 5.093 30 40 HKEB CSc1nc(NCc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820393 LPKFNUAIMKNQAP-UHFFFAOYSA-N 406.530 5.786 30 40 HKEB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C 21595660 YHYJCVPCXBYIKN-ZRDIBKRKSA-N 406.463 5.017 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 33377356 VXCUHURKXTXZRV-MFKUBSTISA-N 415.518 5.844 30 40 HKEB Cc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1 54430315 DAHXRRZBSZZARD-GOSISDBHSA-N 416.278 5.344 30 40 HKEB Brc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 59248810 ZCIGVFRDMFDWHC-KOEQRZSOSA-N 401.307 6.657 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccc(F)cc1 59418031 KQPULMWPMVXJFJ-KGENOOAVSA-N 404.466 5.296 30 40 HKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(C)cc2)C12CCCCC2 100683522 NPNYIDUYUOAYQA-RWEWTDSWSA-N 405.611 6.838 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1ccc(F)c(Cl)c1)c1cccnc1Cl 102662423 UGTBVJXQSIYKMY-NCELDCMTSA-N 400.240 5.135 30 40 HKEB CCCCCCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 105019915 TYSCYTJCTWMRHZ-NRFANRHFSA-N 420.571 7.275 30 40 HKEB CCOc1cc(COc2ccc(/C=N\O)cc2OC)ccc1OCc1ccccc1 408539283 GMVSMCNKCJBLOH-MYYYXRDXSA-N 407.466 5.060 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2C(C)C)cc1 408915905 RQZOURLPMPFLNG-FTIPTLOASA-N 415.356 5.770 30 40 HKEB CC[C@@H](C)n1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 408962411 ROCBZVATLNOOGH-NWGMWSOJSA-N 405.523 5.513 30 40 HKEB COc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1O[C@H](C)C(=O)O 409020216 MSEMNZNBQWEZGD-KSXCTLEASA-N 415.445 5.711 30 40 HKEB CCn1c(C)cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C 409119019 QVSYSKXWFBWUPX-WMOWQXFYSA-N 401.535 5.933 30 40 HKEB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 409171744 GKLOUBMEFIFTLM-LTNVFZTJSA-N 415.518 5.720 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409214036 XBYUMRFCYSAAPD-BRJLIKDPSA-N 420.723 6.985 30 40 HKEB O=S(=O)(/N=C(\O)Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1Cl 754136 GRSWQYPVUNYJNI-UHFFFAOYSA-N 421.305 5.375 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 2070391 VAKOUGHITSTNND-NCELDCMTSA-N 418.577 7.531 30 40 HKEB C#CCn1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047412 VGACLIREWWYHNA-UHFFFAOYSA-N 410.542 6.151 30 40 HKEB N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 5228832 NZGVIBXXLRDCSB-UHFFFAOYSA-N 416.937 5.811 30 40 HKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5894602 XCYHPCPNMIYTMJ-ZDLGFXPLSA-N 406.265 5.450 30 40 HKEB O=S(=O)(/N=C(/Nc1ccccc1Cl)c1ccccc1)c1ccc(Cl)cc1 6250931 LXZVNVQVZFGTCD-UHFFFAOYSA-N 405.306 5.241 30 40 HKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccccc1Cl)CCCC2 6269535 QJMNEQXOBZSZHH-UHFFFAOYSA-N 418.949 6.127 30 40 HKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6419553 ZILIEEYVRKEESY-QFIPXVFZSA-N 415.489 5.356 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Br)ccc3Cl)c2C#N)C1 6764123 ZAQYXHWGJUDPCV-SECBINFHSA-N 409.736 5.413 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 9762147 KIUCVACQGHOPOK-UHFFFAOYSA-N 417.317 6.318 30 40 HKEB Cc1ccc(C(=O)/C=C(\CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 16291678 XGPCRWPAWJXDGA-RCCKNPSSSA-N 419.318 6.297 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)c1 59459446 PPGLRDGWCOXDEY-NDENLUEZSA-N 418.474 5.153 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 59484279 DYBMIDCMPQIDIG-BUVRLJJBSA-N 414.490 6.140 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(OC(C)C)c3)c(C)c2s1 72228692 HSIIXRIGLFUNTK-YSMPRRRNSA-N 424.570 6.150 30 40 HKEB COc1ccccc1/C=C/C(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 95946347 ZGQVPZQYGUGPEQ-NTCAYCPXSA-N 415.876 5.753 30 40 HKEB CCCCCCCCCCCCCCCC(=O)Nc1nnc(N2CCOCC2)s1 101388629 JJWZOFMWCIOPRF-UHFFFAOYSA-N 424.655 5.795 30 40 HKEB N#CCc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225364430 QQMJYTHHOJAUFJ-UHFFFAOYSA-N 410.395 5.279 30 40 HKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 408652980 IRQQDCFGMPXMFW-VGOFMYFVSA-N 423.306 5.933 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 408777566 CEQLKNUVYWLUPP-PCLIKHOPSA-N 419.481 5.710 30 40 HKEB CSc1nncn1/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408806661 ATTYGQHPRXZOKV-NUGSKGIGSA-N 416.337 5.192 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)c1 408961848 ONKDHUICTVUASV-NDENLUEZSA-N 418.474 5.153 30 40 HKEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409087458 UFIDQCYRAAKXLC-SXZIKPQKSA-N 424.953 5.612 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1 409095392 HKQTYQIFDABXEH-OVVQPSECSA-N 414.961 7.985 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OC 409202533 RAMYAPPRZHEOAO-DJKKODMXSA-N 415.658 5.021 30 40 HKEB Cc1cccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2)c1 409214488 VLXWUWDWCPEQCF-QMSJJHEMSA-N 408.567 5.663 30 40 HKEB COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)o1 409384709 CVFDWRVBEZPALX-RMORIDSASA-N 420.248 5.623 30 40 HKEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384892 FQAXZRRYFQQMGO-WYMPLXKRSA-N 412.942 6.137 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(Br)c2)c2ccccc21 1762037 FOTQBWNOKXNASN-QFIPXVFZSA-N 420.331 6.316 30 40 HKEB CCc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4032166 JQSHDIRKKPTSLY-HSZRJFAPSA-N 407.554 5.339 30 40 HKEB C/C(=N/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 4059027 MOOXRNCKGXUARD-QSEVEHSSSA-N 403.938 6.184 30 40 HKEB C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccccc3)c2c1=O 4671261 FKWOBQMOIJJEAD-UHFFFAOYSA-N 411.577 5.368 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 4803533 KFWROBGRIGXXBK-YDZHTSKRSA-N 403.829 5.304 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 6962505 GPFJENONUWJSIT-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 8277962 YUGIVRFHCMDVQI-DHRITJCHSA-N 400.305 6.640 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 8780999 KSARYMQPOVDXMP-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC(C)C 9197156 YHUXYAREHGBJQS-LSFURLLWSA-N 401.721 5.566 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 18197321 ZWFIJMCBLKBUTP-BBATYDOGSA-N 417.321 5.062 30 40 HKEB COC(=O)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1Cl 59104784 WYSALPFUTOFUPM-DHRITJCHSA-N 423.852 5.154 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 59195410 IFEFJTAOEAHSEM-UFFVCSGVSA-N 407.282 5.861 30 40 HKEB O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2)N1C1CCCCC1 100437004 AUHYROYQVSKFDP-DZNDYGJHSA-N 412.558 6.777 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 102625000 SOVSBXVVBYSGGG-SBXHHDGASA-N 419.565 6.120 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102876515 QONZNSORGVXTEL-YDJIHCHBSA-N 418.518 5.201 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(F)(F)F 225955758 IVBGIIZXXMRAQX-UHFFFAOYSA-N 417.471 6.419 30 40 HKEB CCn1c(N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)nc2ccccc21 408692895 XUNJHGFMEXIXHN-JVWAILMASA-N 407.521 5.814 30 40 HKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409082417 SNDVOICCPKBYRY-AEIQVQRHSA-N 408.567 6.095 30 40 HKEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409090382 PGCQYDYKNDVQBJ-MRMWAEPLSA-N 418.566 5.512 30 40 HKEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 826563 JEOPEOYEOSLDOR-LSHDLFTRSA-N 400.659 6.458 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCC 2055424 LDEOLPVWZUDQMX-HSZRJFAPSA-N 411.542 5.177 30 40 HKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2c1ccccc1 4117320 ZKSOYTWUUNYBOB-DEOSSOPVSA-N 401.550 6.499 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 103007547 KBSAUTOZWSLSDK-GGAORHGYSA-N 416.650 7.542 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777900 LNVYOEUMADVHAF-UHFFFAOYSA-N 412.917 5.077 30 40 HKEB Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408625661 YWOHRTCUOXDXAB-WYMLVPIESA-N 420.339 7.201 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408674122 XNGUCFCCKNDSNN-GOTSBHOMSA-N 424.585 6.002 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408691730 NZXUHJVBQUEKBN-RIYZIHGNSA-N 417.461 5.777 30 40 HKEB FC(F)(F)c1ccccc1-c1ccc(/C=N/Nc2ccc(Br)cc2)o1 409203375 VUHSSHMOFONLFN-FOKLQQMPSA-N 409.205 6.174 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCC2)cc1 409285960 YBPIMQPSJVZUOI-UHFFFAOYSA-N 414.553 5.317 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409382776 QWTBTXYYONYMHM-VULFUBBASA-N 422.912 5.734 30 40 HKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccncc3)CC(=O)O4)C2=O)cc1 1081803286 TWUDUGCYMFSPLM-BOURKTIISA-N 411.457 5.262 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(C)n1C 1096221 CDCPKMBPTKBJDN-CVKSISIWSA-N 405.567 5.263 30 40 HKEB CCOc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1780555 IRYZIBYPOMXLHK-KOEQRZSOSA-N 414.534 5.518 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 4125025 GAQIBVMFZAMQNJ-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB Cc1ccc2c(c1)nc1c(C#N)c(C)cc(Nc3ccc(/N=N/c4ccccc4)cc3)n12 4149434 JIGLIVPWYNYHRV-NVQSTNCTSA-N 416.488 7.135 30 40 HKEB CCCCc1ccc(/N=C2/C(=O)N3c4c2cc(OCC)cc4[C@H](C)CC3(C)C)cc1 4740340 RPIMGSNRIBNPKN-BXHNKXCFSA-N 404.554 6.181 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 6080134 WTIOEHOIMDOTBI-STZFKDTASA-N 404.466 5.296 30 40 HKEB Cc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)o1 15225508 RYOCXRWIZSIUDQ-RLYGRLLTSA-N 418.474 5.090 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCC3)c1 15946407 AQPVCFBBBYCHCM-AFUMVMLFSA-N 424.953 6.292 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)ccc1O 20572602 LWFIYCGPQQWUES-MPPVBHRFSA-N 418.537 5.438 30 40 HKEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 36614429 IATLNWYXDOFXTO-NGPYGVLWSA-N 404.554 5.339 30 40 HKEB CC1(C)CC2=C(/C(=N\Nc3ccccc3)C1)[C@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])O2 100761023 ZZURGLVLOGGSOR-DCMBZTQJSA-N 411.889 5.599 30 40 HKEB Cc1cc(/C=N\Nc2ccccn2)cc(C)c1OCc1ccc(Cl)cc1Cl 408851524 ZXYVWRIKMWANFA-ROTLSHHCSA-N 400.309 6.030 30 40 HKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408853669 WHGIMVGCYDPKBA-XYGWBWBKSA-N 404.535 6.029 30 40 HKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 408909423 UGNSAQOZZVDQMW-OBUXZSPNSA-N 414.530 5.890 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409216315 GYMGNJLWGIDKDO-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB O=C(c1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243190 XAFDQAZVVPNJHZ-UHFFFAOYSA-N 408.138 5.236 30 40 HKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(SC)cc3)n2)c1 662180 CPCOJOGCRDXZJN-UHFFFAOYSA-N 421.547 5.082 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3C)nc2c1 1885054 VFNCNVVPZYRKFT-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 2263114 HCWNLRXQCUAPJV-LIQAOFCOSA-N 401.535 5.474 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 2425432 OEYKRUOZUGGZGQ-QWQNUTRASA-N 404.462 5.353 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 4199708 NFKFWPZUFLIRQA-UZTOHYMASA-N 424.500 5.703 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(C)c1 4685308 RTYUUZBAHRRKOM-JCMHNJIXSA-N 413.473 5.317 30 40 HKEB C[C@@H](/C=N/n1cnc2c([nH]c3ccc(Cl)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 4863008 PWAWKCFXJDJRMH-QJXMJWHHSA-N 420.944 5.541 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4952201 VRFQWUJFWUXMCH-ARGSHCIWSA-N 409.555 5.028 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 5498939 BAOLJIDECSACEE-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1ccc(/N=C(\c2ccccc2)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 5698501 ABVWWKWFMUIIHU-ORIPQNMZSA-N 404.513 6.729 30 40 HKEB Cc1ccc(S(=O)(=O)/N=C(\Nc2cc(C)c(O)cc2C(C)C)c2ccccc2)cc1 6023540 LUCVWYPYZZRTRU-UHFFFAOYSA-N 422.550 5.380 30 40 HKEB CCCC[C@@H](CC)CN/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 6635831 AMYBJCCSLJFACD-CYBMUJFWSA-N 421.891 5.453 30 40 HKEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 7072890 BXDAWKRHSKVBEA-SJLPKXTDSA-N 424.610 6.302 30 40 HKEB COc1ccccc1N1C(=O)/C(=C\c2cccs2)S/C1=N\C(=O)c1ccccc1 8400318 GUHWVCWDPJYSNE-XGHAMVSDSA-N 420.515 5.074 30 40 HKEB N#Cc1ccc(Oc2ccc(/C=N/OC(=O)c3ccc(Cl)cc3Cl)cn2)cc1 8855312 FRAYPVAABOJWTH-BRJLIKDPSA-N 412.232 5.243 30 40 HKEB COc1ccc(/N=C2\S/C(=C\c3cccs3)C(=O)N2c2ccc(OC)cc2)cc1 9295825 BJYBDTAVJIXZFG-DJOYVXLESA-N 422.531 5.574 30 40 HKEB C=CCOc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 12391079 IVJNBEQASVACKV-UHFFFAOYSA-N 411.870 5.422 30 40 HKEB N#C[C@@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1 12922395 LOTINLSRHGQRES-AWEZNQCLSA-N 419.358 6.085 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 31904932 KHWMMNOVUASODC-FEOYDCKISA-N 419.609 5.639 30 40 HKEB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3S[C@H](C)CC#N)ccc2c1 65453299 LRMTZXZBSAHDSJ-SJORKVTESA-N 404.535 5.985 30 40 HKEB C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 96023924 RCXORQWZHHYMBR-WMHPZHBYSA-N 424.713 8.233 30 40 HKEB biogenic CCCCCCCC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373980 OPESDBSJPSZDIT-AKCFYGDASA-N 414.630 6.004 30 40 HKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198086190 RVWIKEBILOIGAJ-ADXYVXIDSA-N 418.968 7.605 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O)C[C@@H]1O 248266024 OFHCOWSQAMBJIW-CQKVBHKLSA-N 400.647 6.590 30 40 HKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C(=O)N1CC 260569796 SIJFNEBOYFABKV-LICVMFJISA-N 413.631 5.808 30 40 HKEB CSc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 408913978 WQPCCDQSVZAYOW-CIAFOILYSA-N 418.381 6.974 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1 408996622 JJHFGZAEZQZULW-MSXFZWOLSA-N 402.376 5.467 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)c1C 409005167 CWMKOKOESFINCS-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Nc2ccccc2)cc1 409078424 CSSHNMLVELKBHT-NDZAJKAJSA-N 422.572 7.354 30 40 HKEB C=CCOc1c(I)cc(CNc2ccc(C)cc2)cc1OCC 409118807 UTEXAZRXGPIVFJ-UHFFFAOYSA-N 423.294 5.175 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1C 409331849 OSNRVYVGKGGITF-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 1077348 GQODKKWWEBSTNK-BVZFJXPGSA-N 400.547 6.290 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1O 1090974 CSMOEOKNYCLWFZ-UFFVCSGVSA-N 405.317 5.116 30 40 HKEB COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 1819863 RZIKULBVNUTTHV-DEDYPNTBSA-N 419.864 5.272 30 40 HKEB C=CCn1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1C 2641357 LAJPSHXTWDGUJQ-UHFFFAOYSA-N 421.353 5.358 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CCC4=C(CC[C@@]4(C)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 3843951 FCVNCXQMMCVJBR-IKXVFJCNSA-N 416.605 6.693 30 40 HKEB CCCCCC[C@H]1C=C[C@@H](CCCCCCCC(=O)O)C(C#N)(C#N)C1(C#N)C#N 4722263 JHXZJCCNJJAREJ-LEWJYISDSA-N 408.546 5.641 30 40 HKEB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 4771808 KMYSTACCJFWPNY-WEYGHZABSA-N 415.985 5.046 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 4899085 PMFKVTALUGFERM-DAMKXSJNSA-N 405.498 5.223 30 40 HKEB CCOc1cc(C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 5953440 NOJPVNZCMHNYGC-UHFFFAOYSA-N 401.087 5.605 30 40 HKEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 7496009 LOFOOMCJWMCJGE-YEZLVNDHSA-N 418.500 5.393 30 40 HKEB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1NCC#CC#Cc1ccccc1 16451150 ILAIYNHBOHPONS-UHFFFAOYSA-N 415.949 5.616 30 40 HKEB C=CCOc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20451269 YQFNBGCMGIJSPQ-UHFFFAOYSA-N 405.519 5.675 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 100813229 LJBSSOSVFRKULX-WYMPLXKRSA-N 424.978 7.013 30 40 HKEB CCCCCCCCCCCCCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 101755827 OHXXGOCLIFMOQM-HKOYGPOVSA-N 410.986 7.464 30 40 HKEB C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118931034 VZIGRTXYYCCTRR-XVCLFIIUSA-N 400.691 7.635 30 40 HKEB CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c2ccccc21 408909880 FHYWIHOBOLCQAH-WRIATZMJSA-N 417.578 6.230 30 40 HKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(Cl)cc1 409021643 RKOSEBGHYNWDSD-OMSSWJLUSA-N 423.925 5.460 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409218173 SWWSBVGSYMHJBT-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB C#CCn1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409296480 ILXPURYLMSHVHT-UHFFFAOYSA-N 422.532 5.223 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccccc3[N+](=O)[O-])c(C#N)c2-c2ccc(C)cc2)cc1 409359442 ODQPDMGDNKFQDF-LQKURTRISA-N 421.456 6.761 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c3ccccc32)o1 409389253 AQUMONOZQSIUPK-WYMPLXKRSA-N 417.421 5.036 30 40 HKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1C#N 669029 BRPAAFVPUOAYQO-UHFFFAOYSA-N 401.491 5.860 30 40 HKEB C=CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 2060145 XVCMHNZBUBZITH-UHFFFAOYSA-N 412.558 6.356 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 2152842 COFSOQAFIGFJIS-CIHKDBSTSA-N 424.452 5.486 30 40 HKEB biogenic C=CCOc1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1 2428739 FOGSYJIRSPSKSO-SFQUDFHCSA-N 404.413 5.353 30 40 HKEB N#Cc1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3Cl)c2c1N 4663724 SIEIZMZDZVLIOU-UHFFFAOYSA-N 402.331 6.452 30 40 HKEB C(=N/Nc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1 4785220 IUEYMOKWVMCYQO-YZSQISJMSA-N 410.477 5.081 30 40 HKEB C/C(=N\Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2ccccc2o1 4863654 PLWPFDMJRLXBMD-ZVBGSRNCSA-N 408.292 5.104 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 5383760 DNYKPVVNDPPTDI-FQEVSTJZSA-N 414.574 6.690 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)S2)cc1 14008739 CKJQYDDFOARYOJ-WOJGMQOQSA-N 402.903 5.027 30 40 HKEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 16741707 WMUZCLWYCGAEBO-OAQYLSRUSA-N 407.510 5.029 30 40 HKEB CN(Cc1cccc(C#N)c1)Cn1cc(-c2ccccc2)n(CC(F)(F)F)c1=S 65591425 IDDNFYKYOFUFST-UHFFFAOYSA-N 416.472 5.210 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1 97970996 VMLHBQPDBIJSJV-NKFKGCMQSA-N 422.594 6.626 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 98003536 AACVHOJFBPWOJG-SLSDLSHTSA-N 410.663 5.588 30 40 HKEB CCCCCCCCCc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1 100301262 GLUITSRIGSTEOE-UHFFFAOYSA-N 414.678 6.657 30 40 HKEB CCCCCCCCOP(=O)(/C=C\c1ccccc1)OCCCCCCCC 100313832 QJBHYQLPZLPAPU-ATJXCDBQSA-N 408.563 8.605 30 40 HKEB Cc1cccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 105442754 RGWFWGONKQGGPU-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB CCCN1Cc2cc3c(C)nn(-c4ccccc4)c3nc2S/C1=N\c1ccccc1 257210084 BTBZSVYXJQTPOT-IZHYLOQSSA-N 413.550 5.734 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)N2C(C)C)cc1 408909923 HUWQDJIWSZSETF-QMSJJHEMSA-N 408.567 6.042 30 40 HKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 408931085 GZPCYKMZLFPFMH-WGOQTCKBSA-N 407.945 5.643 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)cc1 409005999 GWHHIRYZKDEFRU-ZVHZXABRSA-N 416.506 5.068 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl 409012180 JIVCYWVNKZCHCS-XACIZNRCSA-N 421.349 6.062 30 40 HKEB CCOc1cc2c(cc1/C=N\c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)OCO2 409096927 MOIJOLNLUSJMNV-QRVIBDJDSA-N 422.462 5.624 30 40 HKEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1Cl 409097496 NXNAMANQENGVSM-PGGKNCGUSA-N 409.751 5.158 30 40 HKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(Br)cc3)cc2)c1 409102401 SPQCDKBQLVWETP-BUHFOSPRSA-N 424.294 6.059 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409209945 JVJRICWBIWTRMQ-UTXPEACSSA-N 424.610 6.707 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409217897 YGUNLPWDRTVPAK-VULFUBBASA-N 414.332 6.894 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N/Nc4ccc(C(F)(F)F)cn4)ccc32)c1 409248302 PJISJKYNHBGDSJ-KVSWJAHQSA-N 412.390 5.689 30 40 HKEB CCOC(=O)c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl 409393189 VIUGKXYRAMMBGE-UHFFFAOYSA-N 406.821 5.239 30 40 HKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2Cl)C[C@H]1c1ccc(F)c(Cl)c1 1554503147 JSOSTCQKJHAXAU-MGPUTAFESA-N 407.268 5.452 30 40 HKEB CCCCCCN(C)CCC[C@@](C#N)(c1cc(OC)c(OC)c(OC)c1)C(C)C 3798093 SKDZEFVVFACNLS-DEOSSOPVSA-N 404.595 5.422 30 40 HKEB investigational Cc1cc2c(cc1C)N[C@@H](c1c(O)ccc3ccccc13)C1=C(CC(C)(C)CC1=O)N2 4052429 JZIOHWARPXGHTM-SANMLTNESA-N 412.533 6.384 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 6959925 DNSCOBCWFFZGLG-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Clc1ccc(CO/N=C(/c2cn(-c3ccc(Cl)c(Cl)c3)nn2)C2CC2)cc1 8873194 SSURGDUPOCTHOB-LYBHJNIJSA-N 421.715 5.558 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S[C@@H]2c3ccccc3C(=O)N2Cc2ccccc21 12961148 VPCZYOUUMWWWNL-NIQJEMAJSA-N 417.917 5.965 30 40 HKEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 20647682 CNKOAILMZWONOF-OYKKKHCWSA-N 411.457 5.387 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F 59475489 XVVKGENUTHSKFZ-VULFUBBASA-N 400.400 5.151 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(C(F)(F)F)cc1 85413354 QDNUTDJOPIPYTJ-DEOSSOPVSA-N 421.462 7.168 30 40 HKEB C/C(=C/C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)Nc1ccc(F)cc1C 100914656 BWYPFSJXFKFXMZ-QINSGFPZSA-N 404.416 6.280 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 100958819 KRLLQKBQADHBDF-YSMPRRRNSA-N 419.594 6.230 30 40 HKEB CCCCCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 102091821 LLIITSNPAKGEKJ-UHFFFAOYSA-N 401.959 7.052 30 40 HKEB CCCCCCCCCCCCCC[C@@H](CO)CCCCCCCCCCCC 103839714 DEMBLPGWNXUBIQ-NDEPHWFRSA-N 410.771 9.997 30 40 HKEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCc1ccccc1 136587466 RJBJVQJIDXNFJB-LIKCCPTGSA-N 422.531 5.149 30 40 HKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC 408527342 AENXPKOJNNCPNJ-ATVHPVEESA-N 402.903 5.029 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c2ccccc21 408816968 UVBZXTCIMHRIIL-HMAPJEAMSA-N 401.535 5.644 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccccc1 408908966 BEJMPUMHJHZTAA-DBSKITMISA-N 422.937 6.614 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408940738 OPZIMJNVZBSMOX-QSKSHKASSA-N 400.909 6.623 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1cccc(F)c1 409022343 KWIUCOIIWQMAPM-RKQNKVCSSA-N 403.438 5.191 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 409030283 FCMRWVIOBUJMNL-UHFFFAOYSA-N 422.525 5.300 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(CC)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875229 MDMMUKTWHLWWDQ-OEZJKNOUSA-N 412.501 5.678 30 40 HKEB C=CCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1796086 AOSLKGLOPVJBTG-UHFFFAOYSA-N 408.611 5.993 30 40 HKEB biogenic CCCCCCCSc1nnc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1 2117902 CSHUIVWHJKLAKL-UHFFFAOYSA-N 423.582 6.285 30 40 HKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc12 3114150 IVQDRGHPPXHTOG-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB Cc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4747093 ORNKJDXOZSVFIL-QYBDOPJKSA-N 415.533 6.794 30 40 HKEB CCCCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 5597370 AILVEWMZOHTDPW-RGVLZGJSSA-N 411.137 6.010 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC 8362887 WRLRUJYHRNJFTK-MIIQOVFOSA-N 410.539 5.416 30 40 HKEB Clc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8811553 VILNERNKZWUCMH-MZJWZYIUSA-N 408.332 6.120 30 40 HKEB Cc1oc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C#N)c1C 15228656 GVHMRESRXRLJPT-CCVNUDIWSA-N 414.892 6.904 30 40 HKEB CCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 97983543 KJISQDPXFXDOSZ-OAQYLSRUSA-N 423.538 5.018 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 408691809 RBOPFQKFERBVLA-GXDHUFHOSA-N 406.909 6.522 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Sc2ccccc2)cc1 409084248 ATEOIDBPZHIXLT-ZMOGYAJESA-N 417.412 6.211 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1 409220797 FYCMFGTWUKBDCP-JZCUADNKSA-N 421.449 5.099 30 40 HKEB Cc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Br 575243210 SYLRFGNUBDOZQN-UHFFFAOYSA-N 417.065 5.408 30 40 HKEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 2062961 XPRJLBWBJKSGQP-UHFFFAOYSA-N 409.482 5.013 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1cccc(OCc2ccccc2)c1 2350288 YIUIOVKOGQXYKJ-OYKKKHCWSA-N 420.925 5.348 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 3162696 NACLXOKVVAHDSP-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB Cc1cccc(C)c1OCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4545196 LFSIRNRRFGLBJK-KOEQRZSOSA-N 419.481 5.506 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1 5617843 XJMKIAPMRVSEDQ-UXHOKJDVSA-N 403.453 5.508 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 10035269 HFYMINZIHCTHIH-OXJNMPFZSA-N 424.426 5.021 30 40 HKEB Cc1cccc(C)c1/N=C1/NC(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Cl)S1 16440368 WTLANZNRIOFIDH-PDGQHHTCSA-N 422.941 5.343 30 40 HKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 27500042 KMRGZYCWFGZUSJ-YPRVEJFFSA-N 423.541 6.593 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 28217532 YTZHDRMCWAFPIL-FSJBWODESA-N 417.365 5.721 30 40 HKEB O=C1CCCC2=C1C(c1ccccc1OCc1ccc(F)cc1)C1=C(CCCC1=O)N2 32099734 DLPDMTMMOUPPAM-UHFFFAOYSA-N 417.480 5.106 30 40 HKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc2c1 35288724 WNLRKDKMWNPWFN-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB N#Cc1ccc(CN(CC(F)(F)F)C(=O)/C=C(/c2ccccc2)C(F)(F)F)cc1 58380870 KOOTYLWROOQJOQ-YVLHZVERSA-N 412.333 5.095 30 40 HKEB C#CCOC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635400 RGTKPZLJXBRZIU-UHFFFAOYSA-N 406.688 5.169 30 40 HKEB CCOc1cccc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1O 98086856 MNFLXPQHOMKUMT-MFKUBSTISA-N 400.434 5.540 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915024 YRJDKDJYIUMOKX-WGCWYWTMSA-N 420.593 5.354 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)cc1 408787976 BRSOMACXVPHZTL-DHRITJCHSA-N 424.884 5.373 30 40 HKEB N#Cc1c(/N=C/c2ccc(Br)o2)oc(-c2ccccc2)c1-c1ccccc1 408918239 HWJUUKQFQBPNBF-AFUMVMLFSA-N 417.262 6.591 30 40 HKEB S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccccc1 409016000 ADGQWPXWDHYLEV-NDENLUEZSA-N 403.985 5.873 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC 409078190 HHRFKOGHHTXXDO-DSKMXOTJSA-N 416.974 6.192 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 409119561 SUXFTJQAKIDLKK-UHFFFAOYSA-N 407.485 5.763 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1Cl 409209339 GCYOLQYBOIDHFP-RWPZCVJISA-N 403.884 7.270 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 409212290 OPCMXEHNVXFTPT-CVKSISIWSA-N 403.478 5.730 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 409214782 UMJRXRYGZVVBBS-WSDLNYQXSA-N 410.739 6.349 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S1 409245790 ZDKBSQQNYCEQIW-RGVLZGJSSA-N 419.893 5.672 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C)c(Cl)c3)c2)cc1C 409375282 IGYMADOYOPRZFF-VULFUBBASA-N 406.913 6.033 30 40 HKEB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O 1097418 YUNVRHGUFYXFLA-GRSHGNNSSA-N 412.898 5.235 30 40 HKEB Cc1cccc2cc3c(nc12)S/C(=N/Cc1ccccc1)N(C1CCCCC1)C3 4861353 DBXIFKBRIASJLE-OCEACIFDSA-N 401.579 6.340 30 40 HKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1ncc(-c2ccccc2)o1 5869331 DYNIURMRJXBTLE-UHFFFAOYSA-N 418.522 5.299 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 5902750 HGMQWAQNAZWSFI-LBPRGKRZSA-N 417.372 5.786 30 40 HKEB CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 6051245 IRLXJQTXCFSTJY-KRWDZBQOSA-N 410.583 6.202 30 40 HKEB Cc1ccc(NC(=O)C(=Cc2ccc(C#N)cc2)C(=O)Nc2ccc(C)cc2C)c(C)c1 6788788 FAULFVSJMLCLQW-UHFFFAOYSA-N 423.516 5.453 30 40 HKEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 7496030 LOFOOMCJWMCJGE-LVPIHVPBSA-N 418.500 5.393 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 18194234 JOLZQRDQYPKRJO-YBEGLDIGSA-N 417.292 5.373 30 40 HKEB CC(C)(C)/N=C1\[C@H](N2CCCC2)C2(CCCCC2)C(=S)N1c1ccccc1Cl 33435864 PXABEAPOSSYLLI-UINQJLALSA-N 418.050 6.099 30 40 HKEB CCCCCCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@@H]12 70665487 GXCLTLUTGZEMKG-WNCULLNHSA-N 412.662 7.899 30 40 HKEB biogenic Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1C 83295310 OXDDVIBCBBXOPL-UDWIEESQSA-N 418.474 5.153 30 40 HKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 102561716 NHPXZAWJFNBFDL-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853193 ZNSBZWKUQXELTI-WGARJPEWSA-N 402.881 6.350 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccccc1 408915309 ZKVDRMIFKXEKPU-CUNGHOPLSA-N 417.328 5.169 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)c1OC(C)C 409016672 VIYHBZKYFTZGRO-KHSCPFDSSA-N 410.539 5.333 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1 409069003 VFSUTDPHIFKJRD-YZSQISJMSA-N 416.477 6.052 30 40 HKEB Cc1cccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)c1C 409211355 IUVVAMCIZPKEDC-LQKURTRISA-N 409.485 6.484 30 40 HKEB Cc1ccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)cc1 872002 HYWYZQQFUAMVBB-UHFFFAOYSA-N 403.507 5.358 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1cn(CCOc2ccccc2)c2ccccc12 1849358 SVVVLPJPCVXILH-PCLIKHOPSA-N 412.518 5.776 30 40 HKEB CCCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21 2281709 ZSZWLKACNJNVLQ-UHFFFAOYSA-N 417.900 5.552 30 40 HKEB CN(C)c1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1 2300006 VIZZDOJXINLFMG-FSJBWODESA-N 413.315 5.596 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(NC(C)=O)cc1 2677042 VLKKJRYAGFBBEU-GFMRDNFCSA-N 418.349 5.900 30 40 HKEB CC[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 2754591 KQJMZGMPXVAGTP-OAHLLOKOSA-N 414.530 6.011 30 40 HKEB N#CCSc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1 4093552 BVRMUYCYAKQBCW-UHFFFAOYSA-N 406.898 5.269 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 6720438 XERBEDAMDXRGFD-XMMPIXPASA-N 408.929 6.037 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2cccs2)[C@@H]3c2ccccc2)cc1 8733570 YXCOMKFCEGHIGD-IVNHJSRESA-N 424.521 6.961 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cccc([N+](=O)[O-])c4O)cc3)nc2c1 16610639 BYZGKOBNDWWMOC-XFRWHIHTSA-N 415.449 6.373 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccco1 18244303 PBYZJAAMDICKIB-DEOSSOPVSA-N 412.489 5.733 30 40 HKEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 30940558 KNRBSWSBWOCCNG-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)cc1F)c1ccccc1OCc1ccc(Cl)cc1 100411337 QHNCOTYHMHVUKA-VAWYXSNFSA-N 416.279 6.520 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OC 101012772 FSOTVOBFJAZVFD-LWAHSQQZSA-N 418.603 5.747 30 40 HKEB C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118935304 WJHSEWONWLVSGI-FPWCFHQCSA-N 402.575 5.305 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OCC 135989021 JPFMDDXDJYWQLO-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O 206551699 LWQQLNNNIPYSNX-VHVDYPPFSA-N 412.614 5.091 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C 253615002 QGVQZRDQPDLHHV-LRIVNMGRSA-N 402.732 8.326 30 40 HKEB C=CCN1C(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC1=S 408726602 SANPMQSFJJKGGI-WWONUHQSSA-N 415.927 5.848 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408934643 BLUGSHLHQDKZBJ-OLNVZDEISA-N 404.513 6.276 30 40 HKEB COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2c1 408962119 QBRGBXGXBSBMJQ-FYJGNVAPSA-N 404.491 5.057 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409200852 JQHVLYJOQNGXGN-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 409201833 OHZKPXZNCVNUDM-RGVLZGJSSA-N 409.121 5.835 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409218419 VCOYWHHWGLHMGL-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O 1437002 RRDZBKRAUYEJSL-XMMPIXPASA-N 420.509 5.233 30 40 HKEB CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 1868674 JLOHOBWIVWGBGA-MFKUBSTISA-N 402.885 5.795 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cccc(Cl)c2Cl)c2ccccc21 2060922 WRJXARRWQCUSNI-QFIPXVFZSA-N 410.325 6.860 30 40 HKEB Clc1ccccc1-c1ccc(/C=N/N=C/c2ccc(-c3ccccc3Cl)o2)o1 3208914 XTDUFDRSRRMFMQ-BKHCZYBLSA-N 409.272 6.966 30 40 HKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4747114 ZMLXIXDRYDDRAR-BCHFMIIMSA-N 415.533 6.794 30 40 HKEB Fc1ccc(Cn2cc(/C=N/NC(=S)Nc3ccccc3)c3ccccc32)cc1 4819937 DDZHNVHZUYNBKC-AFUMVMLFSA-N 402.498 5.149 30 40 HKEB Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\C[C@H]1CCCO1)S3 4969521 WUCVXMXVSLDDSX-VFIJAKHFSA-N 423.626 5.873 30 40 HKEB Cc1cc(C)c(S(=O)(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)c(C)c1 5378784 FXMQONGTBMIMHH-KAMYIIQDSA-N 406.503 5.276 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 8812009 VFKPUSHUJRREHB-RWPZCVJISA-N 422.359 6.429 30 40 HKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 10118685 YLRDMSGXYUPZMV-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 13548645 PLNYMUQIBFLDEH-MTDXEUNCSA-N 423.476 5.579 30 40 HKEB Brc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)cc1 14407438 IUHFAWYIZDLQQU-YDZHTSKRSA-N 421.298 5.350 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 20647479 SPPHAFURTQONOK-OEAKJJBVSA-N 404.510 5.122 30 40 HKEB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 32074399 ORIISHSUOUIYBQ-OAHLLOKOSA-N 405.454 5.443 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C\c4cc([N+](=O)[O-])cc(C)c4O)ccc3O)nc2c1 35183095 JVAHNSZGGMUUGU-KSEXSDGBSA-N 403.394 5.182 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OCC)cc1 100309889 RTAIKLLFXPKMFP-UHFFFAOYSA-N 404.639 7.688 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916186 NJWYLVQOSGELIN-RQJPLJQWSA-N 420.637 6.776 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\N5CCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118928918 NGLYMHZNHRUNQT-AYMKHRNISA-N 411.586 5.040 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C 223533377 KKCYKIIRCAKMNV-AKGOGDBKSA-N 405.567 5.690 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1 408561313 HQZYPYSOMXRQED-UHFFFAOYSA-N 406.983 5.361 30 40 HKEB C=CCOc1ccc(Br)cc1CNc1ccc(Br)cc1C 408611012 PNDNHTOBUNFAJL-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c(C)c1 408756472 SCHKCTPJDVOJNX-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408916585 YCTULQPMMDJMHO-ZSICUCBDSA-N 408.523 5.184 30 40 HKEB CCCCc1ccc(CN2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)s1 585292974 BHYBJTVUPTWTMC-FQEVSTJZSA-N 423.611 5.895 30 40 HKEB CCCCc1ccc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585295329 VNTXQBNQGJARRY-FQEVSTJZSA-N 423.611 5.895 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C#N)c1C 996174 UUQIRNAQXRDIAV-UHFFFAOYSA-N 418.927 5.534 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O 2418608 NKSLYNTZGAORET-LMKPGGDOSA-N 402.421 5.586 30 40 HKEB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4C#N)c23)cc1 2637166 AWAPBDYIZXKRMI-UHFFFAOYSA-N 416.531 5.269 30 40 HKEB N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)cc1C#N 4113445 LTOQKLUSMKILBJ-UHFFFAOYSA-N 419.234 5.204 30 40 HKEB O=C1N/C(=N\c2ccc3ccccc3c2)S/C1=C/c1cccc(Br)c1 4473930 IVENIWCITULZNM-WOJGMQOQSA-N 409.308 5.494 30 40 HKEB N#Cc1c(Cl)nc(N/N=C/c2ccccc2Br)c(Cl)c1Cl 4482065 XMAJPJFEVPGLMR-KPSZGOFPSA-N 404.482 5.122 30 40 HKEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4898891 WHXYRHUKHGMFFF-AKFYTOGBSA-N 401.535 5.474 30 40 HKEB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5922930 RUVUHIUYGJBLGI-BSCIXENFSA-N 412.702 8.233 30 40 HKEB CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCC 8218291 GNSDEDOVXZDMKM-OAQYLSRUSA-N 400.600 5.715 30 40 HKEB in-vitro CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1)c1cccc(C)c1C 12933619 CIUWMVOPXBXYKS-VAWYXSNFSA-N 404.535 5.957 30 40 HKEB COc1ccc(N2C(SC)=N/C(=N/c3c(C)cccc3C)C23CCCCC3)cc1 18285846 AOVAGBLMBJJJBQ-YYDJUVGSSA-N 407.583 6.284 30 40 HKEB CC(C)(C#N)c1ccc(Nc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cc1 33359412 BFZRWFNXSNWGCF-UHFFFAOYSA-N 411.259 5.450 30 40 HKEB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CC[C@H]2O[C@@]23C)c1 101594766 CSMZFWICBSTSSS-AJKITJRTSA-N 414.542 5.090 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N\c1ccc2nc(SCc3ccccc3)sc2c1 104213528 GBJXCKYHVWRUGJ-XKZIYDEJSA-N 405.504 6.247 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)cc1C 408560079 AGHOKHTZNPNHEW-UHFFFAOYSA-N 400.592 5.325 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1Br 408968314 VGMFLSJAMQUKLN-CVKSISIWSA-N 423.398 7.213 30 40 HKEB CC(C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409071857 LUPOPHXUEKAKFS-LSFURLLWSA-N 401.772 5.500 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 409208095 AUNRIAHYQXSWAO-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(C)c(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1 409216628 KEDNQLULTPETGN-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 717197 VMMFZKZMOAGDST-HXUWFJFHSA-N 423.921 5.223 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 2892553 TWXFCBXPLQTCNS-BHGWPJFGSA-N 401.318 6.816 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCOCC1 4004515 OPIRGIBTJAHFDR-BUVRLJJBSA-N 401.422 5.081 30 40 HKEB CCc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4065976 RTUMXASYTRKGEX-XMMPIXPASA-N 421.581 5.729 30 40 HKEB CN(C)c1ccc(/C=N/c2cccc3c(/N=C/c4ccc(N(C)C)cc4)cccc23)cc1 4455877 BWZVZCGSKJNTAS-CZYCKNNWSA-N 420.560 6.473 30 40 HKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 7736266 VZMRCHPSJJULHI-OAQYLSRUSA-N 420.900 5.019 30 40 HKEB CCCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)cc1 8384706 FQVVIGSVXYRINB-XIEYBQDHSA-N 407.583 6.914 30 40 HKEB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)CC[C@](C#N)(c2ccccc2)C3)cc1 12546723 COUZCRCFBMMYEO-NDEPHWFRSA-N 420.581 6.711 30 40 HKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 12662812 LVAMIWMRJKEJCZ-ABVWVXPPSA-N 412.441 5.225 30 40 HKEB biogenic O=C1/C(=C\c2ccccc2C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 13549002 BCPOALWUMJLPKM-VIZCDRHWSA-N 424.447 6.514 30 40 HKEB O=C1[C@H](C[C@@H]2CCC[C@@]3(OC34CCCCC4)C2=O)CCC[C@@]12OC21CCCCC1 16036406 SRXHLHLYMDYESA-QKFIJCJASA-N 400.559 5.059 30 40 HKEB biogenic Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@@H](C)C4)o3)o2)c1 33027140 HOJUHOIIRHKXCE-CALCHBBNSA-N 405.498 5.484 30 40 HKEB N#Cc1ccccc1COc1ccc(Br)cc1C(=S)N1CCCCC1 33667597 BMMQJIJODSAHBQ-UHFFFAOYSA-N 415.356 5.061 30 40 HKEB N#CC1(c2ccccc2)C/C(=C/c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 35086028 OHNXCFWXZSTYMP-HHQODBOJSA-N 411.451 6.256 30 40 HKEB Cc1cc(C)cc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c1 35291978 KKXRZAYBRSLEIJ-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97951061 SDGAFFTYPKSIFD-UHFFFAOYSA-N 401.601 6.153 30 40 HKEB Clc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 97958250 AEABERVJGNAGCB-FSJBWODESA-N 411.686 6.661 30 40 HKEB COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 102927234 SSXDLXNXEITOER-NRFANRHFSA-N 415.489 5.482 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O 104885283 GMRQFYUYWCNGIN-FVJPYTEKSA-N 416.646 5.705 30 40 HKEB Cc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408853128 PZQQQEBVIFODQB-NHDPSOOVSA-N 406.732 6.906 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408916365 WRKMJZDPYMEPNC-LBMUFILHSA-N 408.567 6.044 30 40 HKEB O=C(O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl 409085497 SHDGJOFVBAMZJU-LGJNPRDNSA-N 409.913 5.962 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)S/C1=N/c1ccc(F)cc1 409233147 RAGDYFKHWIWGSE-YFFHCPSPSA-N 413.518 5.423 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc(C)c1O 409373612 RHSMDGNLSWWMDZ-AFKZWVQSSA-N 415.518 5.208 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C#N)C1 673735 FOGIYLJIRIFPGI-LLVKDONJSA-N 417.918 5.585 30 40 HKEB CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccc(F)cc1 707763 SXXVIMBMAIIDIV-OAQYLSRUSA-N 406.284 5.372 30 40 HKEB C/C(=N\OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 5445318 VDBMEEFCUVYDGN-WPWMEQJKSA-N 415.880 5.774 30 40 HKEB CCCC[C@H](CC)CN/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 6635895 AMYBJCCSLJFACD-ZDUSSCGKSA-N 421.891 5.453 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C/c1ccc(O)c(CN2CCCCC2)c1 8665902 VGGDXIXJVYYRAS-BMJUYKDLSA-N 421.968 6.252 30 40 HKEB COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1OC 15015741 FBGILUHVCUODSI-APSNUPSMSA-N 423.321 5.211 30 40 HKEB Oc1ccc(/N=N\c2ccccc2Cl)cc1/C=N\Nc1nc2ccccc2s1 16545391 MJBSQIBAZLCWAD-NNYIQMIKSA-N 407.886 6.517 30 40 HKEB O=C(/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 16923149 KTIVNHNHGQMXFP-XDHTVYJESA-N 416.480 5.646 30 40 HKEB CCCCCCCCCCN1C(=O)/C(=C/c2ccc(OCCO)cc2)SC1=S 59608596 VOIOAOLOJWJCNT-JZJYNLBNSA-N 421.628 5.400 30 40 HKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 102940970 DHAJWWBSSDSVQZ-YYADALCUSA-N 410.304 6.301 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 103876426 ZKIHPMHVQZGSRY-RAKJCRHOSA-N 420.658 5.052 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 214431957 CTHDOFFHYBXOGR-VCHYOVAHSA-N 420.317 5.795 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cccc1OC 408915639 ZDFSEDKIKQZIGI-LPCFMYKTSA-N 424.566 5.805 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)cc1 408953374 PAQXWUSDIHRSMM-DEDYPNTBSA-N 408.454 5.376 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(C(C)C)c4ccccc34)S2)cc1 408955436 XGJMZCSZFNYKCB-FYJGNVAPSA-N 405.523 5.513 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 408964834 SQXMIRWPHPFEGB-HYARGMPZSA-N 418.493 5.605 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl 408966095 YYJRKKPUCGEVRJ-HCZVKUGISA-N 416.930 5.418 30 40 HKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409077368 DWDAHQXOPGMXBF-QFEZKATASA-N 406.482 5.527 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409216131 FNZDGPXHYGZSCA-DHRITJCHSA-N 424.884 6.203 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 2321163 XJITVNKKOOAKFY-UHFFFAOYSA-N 408.611 6.137 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 2892175 YZGDODQKPCONMY-WQRHYEAKSA-N 415.301 6.145 30 40 HKEB FC(F)(F)c1cccc(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c1 5944346 MZUOGGYWPDQOLH-KSEXSDGBSA-N 409.205 6.174 30 40 HKEB Cc1cc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c(C(C)C)cc1O 6023535 TXAJJWOPZWKXPC-UHFFFAOYSA-N 408.523 5.072 30 40 HKEB CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 6051244 IRLXJQTXCFSTJY-QGZVFWFLSA-N 410.583 6.202 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccccc2F)cc1 6813150 VKCACPDTHBCPBG-MDOTZGTBSA-N 413.448 5.317 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(F)cc3)c(C#N)c(C(F)(F)F)c2C1 8993168 DKQSRSKEIIIUGG-CQSZACIVSA-N 422.491 6.554 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 9089461 JYDZQZHRGYRQGT-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 10042652 WGSUDZRQFMHCRF-OUKQBFOZSA-N 423.306 5.933 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1 17092119 IWGLPUOXYUHIEZ-AWEZNQCLSA-N 420.365 6.203 30 40 HKEB O=C1S[C@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1 17354954 PMOVMNJUYQYIMP-FQEVSTJZSA-N 419.531 5.746 30 40 HKEB aggregator Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N3CCCC3)n2)cc1 20218570 MFUVBRNNSXJLEV-UHFFFAOYSA-N 408.332 6.503 30 40 HKEB O=S(=O)(Oc1ccc(/N=C/c2cccs2)cc1)c1cc(Cl)ccc1Cl 91302285 NGXMLBXWKMRQQG-RGVLZGJSSA-N 412.319 5.573 30 40 HKEB FC(F)(F)c1c(Cl)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1Cl 97949840 ZOWAPGQDAKYNEZ-UHFFFAOYSA-N 418.992 7.069 30 40 HKEB COc1ccc(/C=C2\CC[C@@H](C)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 102977033 FNEHNMVDEJMKOR-SBTOKTGRSA-N 408.494 5.187 30 40 HKEB CC(C)(C)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918339 QAUWKRBHRKSCQO-MWGRHRFLSA-N 418.643 5.350 30 40 HKEB C=CCOC(=O)c1cc(Br)c(OCc2ccccc2C)c(OCC)c1 216831511 BIZCSAANHAQQDU-UHFFFAOYSA-N 405.288 5.078 30 40 HKEB C=CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 218872611 GRCSIZAXQJXHMP-UHFFFAOYSA-N 404.304 5.155 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225769208 WYDNEYIGYNGAIG-XMMPIXPASA-N 402.563 5.944 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225932723 NTGHUCHNDSVCBM-UHFFFAOYSA-N 421.924 5.745 30 40 HKEB C=CCC1(CC=C)CCN1C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257238273 HKGFJOVJFBKUCY-UHFFFAOYSA-N 416.565 5.211 30 40 HKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccccc1 408914276 UIOTZBAHCPOZKD-LPCFMYKTSA-N 424.566 5.744 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1cccc2ccccc12 409115672 SSTHHOHLBDVRDF-UHFFFAOYSA-N 409.529 6.768 30 40 HKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl 409200665 JLRCADJEBWPISN-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB O=CCCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1857793436 HXAHWNRBGCHFOQ-UHFFFAOYSA-N 418.536 7.052 30 40 HKEB O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)c1 863101 WZWBBRMHTNDOGZ-FSJBWODESA-N 411.248 5.967 30 40 HKEB CC(C)Oc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 2188178 AYOZLLGXNVACTQ-MHZLTWQESA-N 411.545 6.937 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(Cl)c1 2452934 DKNXDUJIRMUMPC-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)c(C#N)c1N 2505856 FVZBEZCHYSWNLB-UHFFFAOYSA-N 408.686 5.762 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CC(c3ccccc3)c3ccccc3)c2C#N)C1 3284151 UJJYAXRCCYASDK-KRWDZBQOSA-N 400.547 5.905 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)c1 3768412 AEDDBWXUSGZKDH-NDENLUEZSA-N 418.474 5.153 30 40 HKEB Cc1cc(C)c2nc(SCC(=O)Nc3sc(C)c(C)c3C#N)c(C#N)cc2c1 4849169 XXCNCUVCWZCQIO-UHFFFAOYSA-N 406.536 5.004 30 40 HKEB CCCCOc1ccc(C(=O)/C(=C\c2ccccc2F)c2nc3ccccc3o2)cc1 4898800 APKJVJWZHKSOGM-HEHNFIMWSA-N 415.464 6.569 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2C[C@@H](C)C[C@H](C)C2)cc1 5249174 MHLXZWONLQEEJG-PMACEKPBSA-N 422.576 6.049 30 40 HKEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1c(C)[nH]c2ccccc12 5865773 KHOYZIPXAJJBJQ-QTOLTWMYSA-N 412.465 5.020 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)Cc1cccc2ccccc12 8400325 ZTLXUJHTHCJCQH-UHFFFAOYSA-N 409.658 7.980 30 40 HKEB COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)S/C(=C\c2ccc(F)cc2)C1=O 8750233 HYTHLYAUYFWEFQ-NVNXTCNLSA-N 424.280 5.286 30 40 HKEB COc1ccccc1/C=C\C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 12464660 TZGWMQUPMCHRJQ-KMCRVJJJSA-N 409.533 5.082 30 40 HKEB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 12997680 JQWTZKPBCVTCFC-UHFFFAOYSA-N 418.802 5.104 30 40 HKEB CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 20034513 CREGTTWOBSPQHN-GFCCVEGCSA-N 418.588 5.008 30 40 HKEB O=C1C(Cl)=C(/C=C/N(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21 20219239 LARDAMRPWFEAQC-FOCLMDBBSA-N 413.904 5.775 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OCC)C2=O 20624956 ISWUEGRQTUNYBC-ULJHMMPZSA-N 423.553 5.809 30 40 HKEB C=CCn1c(O)c(C(=O)NCCCCCCCCCCCC)c(=O)c2ccccc21 97949420 PCYHENSYGLQVNK-UHFFFAOYSA-N 412.574 5.544 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)ccc1Cl 100505816 XBEQKOWWUQXTOB-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB CCCCCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl 101366954 NTKJEISIPXDXKC-APWZRJJASA-N 402.000 5.546 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102803158 GWLDMHGQQNVKIE-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccccc1Cl 223666376 ZEWSJLYWBIVWIT-UHFFFAOYSA-N 401.322 5.120 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408941716 PMSNEGZKFDHDQV-RGXUTEJNSA-N 408.545 7.053 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1C(C)C 409210574 LBYODRRDOYLONZ-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1 409211703 OFCYIBYAVRJGAR-NLRVBDNBSA-N 415.514 5.921 30 40 HKEB CC(C)c1cccc2sc(NC(=O)C(=O)[C@@H](C#N)c3cccc4ccccc34)nc12 1617122 XWHKGNANWURYLQ-IBGZPJMESA-N 413.502 5.388 30 40 HKEB CC(C)(C)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 2372337 JZRSEUCDOPIFPD-UHFFFAOYSA-N 404.510 6.134 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 2892601 CWGVFTNMZRAKNQ-FOKLQQMPSA-N 411.870 6.071 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O 3033977 SHGHKFVIXHPKOS-YDZHTSKRSA-N 419.462 5.726 30 40 HKEB Cc1cc2nc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)oc2cc1C 3082937 YXNVHCGREDSAKQ-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1cccs1 4524107 DZYYUORLYUZHJP-CIAFOILYSA-N 409.492 5.032 30 40 HKEB CCn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(-c4ccccc4)cc3)ccc21 4549624 ZNNNNYHEOJOGGW-CPNJWEJPSA-N 401.509 7.378 30 40 HKEB N#Cc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 4922126 HSLAPENLGRETOD-JOCHJYFZSA-N 408.486 5.090 30 40 HKEB CC(C)(C)[C@H]1C/C(=C\c2cccs2)c2nc3ccccc3c(C(=O)OCC#N)c2C1 6615443 XOKYDKORXGJSCJ-ZQHZRZASSA-N 416.546 6.126 30 40 HKEB N#Cc1c(/C=C/c2ccc(C(=O)O)cc2)cc(-c2ccccc2)n2c1nc1ccccc12 6648319 GQIKYLULOYERRQ-NTCAYCPXSA-N 415.452 5.895 30 40 HKEB CCc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC)cc4)ccc3C2=O)cc1 12662240 LERBJLJTFNTKDW-OYKKKHCWSA-N 414.457 5.231 30 40 HKEB biogenic CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 19536412 PVFJCEPQSYORAH-QFIPXVFZSA-N 411.542 5.029 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 58826808 RLQQAIRTBBHEMF-WGOQTCKBSA-N 404.535 5.316 30 40 HKEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2cccc(OCc3cccnc3)c2)c1 95478367 ZTPJLOKKEJSNSE-CIAFOILYSA-N 417.490 5.401 30 40 HKEB N=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[C@H]1c1nccs1 138283690 DOGLRTJDNHGRPZ-PDLCMLHASA-N 421.330 6.128 30 40 HKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 225915060 HLDRECIHYSISPZ-UHFFFAOYSA-N 403.478 5.095 30 40 HKEB C=CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 408901274 CWOTUPXRIXJJLB-KOEQRZSOSA-N 411.505 5.465 30 40 HKEB CCCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 408915196 PMQYSUKEQNAMOW-LBMUFILHSA-N 403.551 5.891 30 40 HKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(C)cc1 408932456 XFDAOSZBTPDWBJ-OVVQPSECSA-N 416.521 5.170 30 40 HKEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(Cl)cc2Cl)C1=O 408975079 JSZCBCWCZPNAFA-VXLYETTFSA-N 416.304 5.487 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br 409114215 DQJVXXVSGARGMD-UHFFFAOYSA-N 423.148 5.398 30 40 HKEB CCCN1C(=O)[C@H](Cc2ccccc2OCC)S/C1=N/c1ccc(OCC)cc1 409147118 WKFDQRIMHRCUCW-ZGBROZEESA-N 412.555 5.068 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1C 409200736 KAAIIFJKWASHBU-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C(=O)N1C(C)C 409209869 JOBAXTOOPZNJES-MYVOUCEISA-N 419.550 5.226 30 40 HKEB Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1-c1ccccn1 409240591 UOWPSSUXQLLNHW-JVWAILMASA-N 401.897 6.685 30 40 HKEB C=CC[C@@H]1C[C@H]2CC3(CC[C@]2(C)[C@@H]2CC[C@]4(C)[C@@H](OCOC)CC[C@@H]4[C@@H]12)OCCO3 1776011300 XWARBRAJICOSKJ-XYNOLVGKSA-N 418.618 5.564 30 40 HKEB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c(C#N)c(C)c1Cl 1072472 QHDQNBHDYMUBMS-UHFFFAOYSA-N 400.718 5.261 30 40 HKEB O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccccc2Cl)c1O 3067690 NILAUWJLHLQIJU-CVKSISIWSA-N 400.865 6.202 30 40 HKEB COc1ccc(N2C(=S)N/C(=N\c3cccc(Cl)c3)C23CCC(C)CC3)cc1 5408249 SWSJPENCVMLELX-UHFFFAOYSA-N 413.974 5.722 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccccc1[N+](=O)[O-] 6445535 GQSREDUNENQIFM-UHFFFAOYSA-N 421.425 5.901 30 40 HKEB CC(C)c1nc(C#N)c(N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 32697549 MXOCCZGCQCLASK-ZMFRSBBQSA-N 414.444 5.107 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 33394099 SSYRRANTXKHBDC-JTUXUYRKSA-N 414.530 5.368 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59302098 VLYMPDSYJFLNAB-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB O=CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 100458667 ODENUILBJVJVNR-LDTOLXSISA-N 412.885 5.067 30 40 HKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOCCOCC 104129142 JVNPLYDIVHQDGD-VAWYXSNFSA-N 411.671 6.583 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)SC1=S 223565118 SXDHZLQVZPNWJR-CCRNYGKSSA-N 400.613 5.574 30 40 HKEB C=CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408533136 PVZVDVWNUICWEP-JCMHNJIXSA-N 400.503 5.605 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408600185 ADPAJUFLYXJTEC-KEBDBYFISA-N 422.412 5.333 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2OC(=O)c2ccccc2)S1 408721399 QKMCJXOSAXWOHS-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB N#CCOc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408814692 GJVYAZZJOBUNFR-RDRPBHBLSA-N 403.441 6.138 30 40 HKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409094335 DLAHVOQRMNTBML-VUTHCHCSSA-N 414.593 6.050 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409216548 JEXAIFFKJRIMSY-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB Cc1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C#N)c1C 2738880 AUHXDVSGHVYNJB-UHFFFAOYSA-N 417.921 6.358 30 40 HKEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc12)CCCC3 3189382 UYTNXECLTKNCSJ-JFLMPSFJSA-N 423.541 5.834 30 40 HKEB Cc1c(Cl)cccc1-c1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)o1 4502044 GKJCQZCYZVGZNX-JRXWSOMVSA-N 400.734 6.050 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 5418865 SOCIRJXZXREUQE-TURZUDJPSA-N 412.489 6.097 30 40 HKEB Cc1ccc2cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)nc2c1 5782528 VDROQXVKNLAWIO-NUGSKGIGSA-N 408.767 5.570 30 40 HKEB Cc1cccc2cc(/C=N/Nc3nc4cc(Cl)ccc4nc3Cl)c(Cl)nc12 8411655 PFOCNPOBDURLOR-NUGSKGIGSA-N 416.699 5.893 30 40 HKEB COc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 19536010 MQRZYRHVGQUJIA-HSZRJFAPSA-N 423.553 5.175 30 40 HKEB CCCCCCCCCCCCCCCCSCc1ccc(O)c2ncccc12 100925736 PTDCGSXDEVEFLL-UHFFFAOYSA-N 415.687 8.655 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916316 OCCYLBDLKHPVGI-YWVXWQFSSA-N 413.001 6.306 30 40 HKEB C[C@]12CC[C@@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245241187 YRJDKDJYIUMOKX-ICOLMATESA-N 420.593 5.354 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(C)=O)cc3)c3ccccc32)c1 408542251 ILHQPXQEMKFHOM-JFLMPSFJSA-N 410.473 5.429 30 40 HKEB C=CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408557907 PJAOQIDKYQXMCP-SFHVURJKSA-N 424.747 5.446 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c([N+](=O)[O-])c1 408935452 DWGXWLPFRVDQLL-FOKLQQMPSA-N 411.845 5.413 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2cccn2-c2cccc(Br)c2)nc1 409012293 QDTOVADQQGLJIW-KSEXSDGBSA-N 409.209 5.100 30 40 HKEB CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 409012810 LARYCINCYYMUKA-JEOKBYEJSA-N 423.719 5.042 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccccc1Cl 409125855 BFWYMPFCBTYVIA-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB CC1(C)OB(c2cc(Cl)cc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C 675081446 CPALTNYUIKSESH-UHFFFAOYSA-N 403.718 5.736 30 40 HKEB CCCCCCCCCC(=O)Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O 2049301 ZEKYDSPAXXMQPD-UHFFFAOYSA-N 422.521 6.515 30 40 HKEB biogenic,in-vitro Oc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1-c1nc2ccccc2s1 2186745 IZPXZLMCZBJZAF-AUEPDCJTSA-N 415.301 6.432 30 40 HKEB N#Cc1c(SCc2ccc(C(=O)O)cc2)nc2c(c1-c1cccs1)CCCC2 4608506 FGUGPPOYZKYJQZ-UHFFFAOYSA-N 406.532 5.551 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 4704824 PALUMFVISRAGBH-JAIQZWGSSA-N 404.422 5.194 30 40 HKEB FC(F)(F)c1cccc(N/C(S)=N/[C@@H](Cc2ccccc2)c2ccccc2)c1 5582165 LKNVJVDRZXGIEQ-FQEVSTJZSA-N 400.469 6.387 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c2ccccc21 9422818 YDQNEXPTDWICBV-DHRITJCHSA-N 413.448 5.996 30 40 HKEB O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1 11565579 DJIDOMXJZUYYNL-RMKNXTFCSA-N 422.105 6.912 30 40 HKEB Cc1ccc2nc(-c3cc(/N=C/c4cc(Br)ccc4O)ccc3O)[nH]c2c1 15134765 CEYIHQNECVLLFA-FOKLQQMPSA-N 422.282 5.463 30 40 HKEB CC(C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 15224759 UMDQOSHFJILBRY-SMSCYPBYSA-N 401.875 5.261 30 40 HKEB CCN(CC)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682430 QMUHYNPZSXIMDG-XHLNEMQHSA-N 424.592 5.254 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 19867276 NLBZOSFMXFRCDD-UZUQRXQVSA-N 421.924 5.265 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 33377766 SXDGQZOJROPOFE-FSJBWODESA-N 419.381 6.409 30 40 HKEB C=C1C(=C)[C@@H]2c3ccccc3[C@H]1c1ccc3c(c12)C1c2ccccc2C3c2ccccc21 71782679 YIZNNYCSUZHZHF-HHIISAQVSA-N 406.528 7.377 30 40 HKEB CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 408539028 DQHRXSSCTSBZAQ-UHFFFAOYSA-N 421.581 6.127 30 40 HKEB COc1ccc(/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)cc1 409120356 VNZLXGLOHXHWOP-UCQKPKSFSA-N 421.478 5.464 30 40 HKEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3cc4ccccc4[nH]3)cs2)c1 585295354 WKUNZIYSHCXAIQ-NRFANRHFSA-N 414.538 5.362 30 40 HKEB CC1(C)C=C(CN2CCCCC2)c2cc(F)cc3c2N1C(=O)/C3=N/c1ccc(F)cc1 618256840 MOVIJBXWJYDBQE-XAYXJRQQSA-N 421.491 5.094 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 997111 ZQEGXIQUPJBFEO-CQSZACIVSA-N 400.503 5.621 30 40 HKEB Fc1ccccc1-c1nc2cc(/N=C/C=C/c3cccc(Br)c3)ccc2o1 2893058 XMFAPUAFYAJUJQ-MLZQUUFASA-N 421.269 6.812 30 40 HKEB CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)C(C#N)(C#N)C1(C#N)C#N 4722258 JHXZJCCNJJAREJ-RTWAWAEBSA-N 408.546 5.641 30 40 HKEB CCN1C(=O)/C(=C\Nc2ccccc2)S/C1=N/Nc1nc(-c2ccccc2)cs1 5734059 ANVVUUZZMXFCGG-HRRHUGIKSA-N 421.551 5.042 30 40 HKEB O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 8782013 XKQSPHMBCFUQNJ-UQOVRSCUSA-N 418.718 5.564 30 40 HKEB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3sccc3C#N)c2c1C 13015520 SCTVGSUYHGCMIL-UHFFFAOYSA-N 422.560 5.645 30 40 HKEB CCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@](C)(=O)O1 14285771 XXNJOXORYIWEPW-CUNXSJBXSA-N 404.596 6.782 30 40 HKEB N#C[C@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccc(F)cc2)[C@@H]2C=Cc3ccccc3N21 16491712 VAJNCOVPZBJELG-MVVJZGTDSA-N 419.459 5.110 30 40 HKEB CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 17094101 WSWVUOUWDCVXBV-KRWDZBQOSA-N 424.610 6.086 30 40 HKEB COc1cc(/C=C\C=C2\CC/C(=C\C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 17255113 GYYPECSETJYYJN-LFXJHKIZSA-N 404.462 5.057 30 40 HKEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 36007216 KEVMWVHEOBAJAD-VULFUBBASA-N 424.928 5.932 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1cccs1 65165043 BREWKTFVMHVXND-IBGZPJMESA-N 422.579 5.290 30 40 HKEB CCCCCCCCCCCCSCCOCC[N+]1(CCCC)CCOCC1 100934608 XFRIULADPPMOQA-UHFFFAOYSA-N 416.736 6.304 30 40 HKEB C=C(C)COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 219779242 XROJRPMDOBYKRS-UHFFFAOYSA-N 410.366 5.612 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 252694436 KPMMIZLQECJQJE-AXDQOVJNSA-N 407.554 6.590 30 40 HKEB biogenic COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 408744729 ZPVMHDPZKNORKW-YDZHTSKRSA-N 411.299 5.394 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408848090 OVJGFXBCVZLDLL-BHGWPJFGSA-N 417.292 5.858 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 408914189 OIWQBOLVIXOSSU-WSDLNYQXSA-N 400.341 6.869 30 40 HKEB Cc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 408931574 NISBWRDYNJBQQF-MTDXEUNCSA-N 409.533 5.585 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)c1 408965555 IRPBEAAJMALBNZ-MXAYSNPKSA-N 415.320 6.328 30 40 HKEB COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 409045137 FGUKMWIBBYPUDH-UHFFFAOYSA-N 406.309 5.045 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 409211484 NXRRZBUWYPWSHZ-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409214122 WEKWDLPWTNZFFZ-CIAFOILYSA-N 423.294 5.456 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1 409214159 WIBGXNICECFLFO-MFKUBSTISA-N 424.338 6.486 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C#Cc3ccccc3)=CC[C@@H]12 2049238268 AHMJMFJZNJAALU-RMIXPHLWSA-N 402.578 6.159 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C#Cc4ccccc4)=CC[C@H]32)C1 2049238288 CKXFHIVEFDOLKD-RERXQODOSA-N 416.605 6.549 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3CCc3ccccc3)c2C#N)C1 1771096 RXBFRUCVQJIZKE-KRWDZBQOSA-N 400.547 5.782 30 40 HKEB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2752440 GCWVGCXSJPMCSG-GFCCVEGCSA-N 402.947 5.685 30 40 HKEB COc1ccc(C2=NN([C@@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 4593472 HBUVNOADDUOJFD-ZEQRLZLVSA-N 412.449 5.019 30 40 HKEB COc1ccc(C(=O)C#Cc2ccccc2)c2c(OC(=O)c3ccccc3)cccc12 5526801 KRQOAWMCRRGCSU-UHFFFAOYSA-N 406.437 5.302 30 40 HKEB biogenic C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)C(c1ccccc1)c1ccccc1 7721180 VAPFMFUPDZPKNQ-UHFFFAOYSA-N 423.516 5.392 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 9833613 USLJUNMMECFTMT-UHFFFAOYSA-N 421.309 5.638 30 40 HKEB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 12497836 ZBWHAGMELCUFJM-UHFFFAOYSA-N 422.579 5.113 30 40 HKEB CCN(CC)c1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 19820681 CIIUXNXZWYJMRL-UHFFFAOYSA-N 403.555 5.635 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 35311876 NAMHZICOFXPCNY-UHFFFAOYSA-N 409.514 5.813 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccccc1Cl 59194415 XNOMFGRRTUNSDH-YDZHTSKRSA-N 407.882 5.615 30 40 HKEB C/C(=N\c1c(O)ccc2ccccc12)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370347 BYPIXHGNXBSPAO-OGLMXYFKSA-N 420.468 5.696 30 40 HKEB CCCCCCCCCCC(CCCCCCCCCC)[C@H]1C[C@@H](C)CC[C@@H]1C 104145429 UPYOZECJBFFKFT-YCVJPRETSA-N 406.783 10.737 30 40 HKEB CCCC/C=N/NC(=S)NCCCCCCCCCCCCCCCCCC 104378975 BWLCYGWUDAZFJI-WNAAXNPUSA-N 411.744 7.888 30 40 HKEB Fc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408742358 WESYBVGSSVWIRV-NJZRLIGZSA-N 416.499 7.701 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408854250 AWOWTQMGRSCEMX-UEUDXMDBSA-N 419.594 5.935 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OC 409210319 JZTDGCXCRUOEQB-UDWIEESQSA-N 409.267 5.012 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(OC)cc1 409229644 SFXRMENHZLEFJU-HWWZFDGNSA-N 417.328 5.082 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Cl)cc1Cl 854369 FLNHXIZNFPNIRI-TZIWHRDSSA-N 424.327 6.036 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C#N)C1 2737516 IANPUPPMSFAPCB-HNNXBMFYSA-N 412.555 5.430 30 40 HKEB CCOc1ccccc1C(=O)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 6488622 KSQHAHCJOPHMDP-UHFFFAOYSA-N 411.954 6.364 30 40 HKEB Cc1cccc(-c2nnc(S[C@H](C#N)Cc3ccccc3)n2Cc2ccco2)c1 8345118 SOTZAMFIWRBAQK-NRFANRHFSA-N 400.507 5.122 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 8432260 RNERHTNTUNDASR-UHFFFAOYSA-N 412.624 6.307 30 40 HKEB N#Cc1c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc2c1CCCC2 9597890 WPZGIPARXAOAQX-UHFFFAOYSA-N 418.305 5.713 30 40 HKEB Clc1ccc(CN/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 10118876 HWWWKMTUDOGONI-OCSSWDANSA-N 423.947 6.620 30 40 HKEB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 12547594 ADTNFGCRPDBQAH-HSZRJFAPSA-N 408.505 5.227 30 40 HKEB N#C[C@@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@@H]21 13060590 BCCSYYNPYNJQAW-QPPBQGQZSA-N 401.897 5.196 30 40 HKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 16577913 XUSSCHFOQPUZTI-UHFFFAOYSA-N 414.929 5.749 30 40 HKEB Cc1sc(N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)nc1-c1ccccc1 59193849 RJFFRPSQUXDDQQ-PCLIKHOPSA-N 413.502 5.784 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408759048 WYOMWAORONFPHY-HAHDFKILSA-N 415.562 5.857 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3cc(Cl)cc(Cl)c3)cc2)cc1 408798382 DVIHSQUVNPTMEE-MXAYSNPKSA-N 413.304 6.070 30 40 HKEB CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408846961 LTJDTAHMMAINMK-PKAZHMFMSA-N 416.590 6.927 30 40 HKEB O=C(O)c1cc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)ccc1Cl 409071939 SWXIFKCYPOXCCO-OPVMPGTRSA-N 409.751 5.158 30 40 HKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OCCC 409118416 QGMSEKVOIHHDMU-UHFFFAOYSA-N 403.522 6.617 30 40 HKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)o2)cc1C(C)C 409281069 CMFDIBSATCGADU-UHFFFAOYSA-N 415.493 5.288 30 40 HKEB CCn1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409307182 TZVPJWQMMBDYMB-UHFFFAOYSA-N 412.537 5.609 30 40 HKEB CC1(C)OB(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)OC1(C)C 2237365264 IHSYZPIOUFNCCN-UHFFFAOYSA-N 421.349 6.609 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc(-c2ccccc2)sc1N 2181033 JMZUNRREZDULHS-UHFFFAOYSA-N 422.554 5.873 30 40 HKEB N#Cc1c(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)sc2c1CCCC2 3321013 IFPUFBXEDRXQOY-UHFFFAOYSA-N 415.562 5.139 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2cccc(C(F)(F)F)c2)c1=O 8733534 UGXWJCJYTYHYCG-UHFFFAOYSA-N 422.328 5.473 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)no1 8743337 MIBOZNPETYAVEC-OAQYLSRUSA-N 420.440 5.028 30 40 HKEB CC(C)CCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 9481930 PTGNCSDXWHVMII-CQSZACIVSA-N 403.979 5.190 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 14921979 KSJJSQNYZJRUBY-OGLMXYFKSA-N 422.484 6.076 30 40 HKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1cc2ccccc2c2ccccc12 33378807 YFVMZZRLNOWZCZ-ZCXUNETKSA-N 408.500 8.196 30 40 HKEB N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)cn1 40089631 VRPIQDVBHUUNFK-LBPRGKRZSA-N 413.380 5.460 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 51367007 CBXLGGVASYWVNZ-IZNZCJHFSA-N 411.546 5.467 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(OCC)cc1 97464883 HQSKGVKEVMMSIX-BRBBDLJVSA-N 410.539 5.416 30 40 HKEB CCCCCCCCCCCCCCCCN1C(=O)c2ccccc2S1(=O)=O 104250556 IVUHEOQWIKHGGV-UHFFFAOYSA-N 407.620 6.312 30 40 HKEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C#Cc5ccccc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 118914937 CKXFHIVEFDOLKD-TVRBBCNYSA-N 416.605 6.549 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)c1 408760876 ANYSTSUHRBICLV-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1Br 408853121 LSMDSAIZQQHNEO-RGVLZGJSSA-N 405.089 6.222 30 40 HKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1 409215374 ZWURVHDPIILYFA-QMSJJHEMSA-N 424.566 5.363 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OCC 409241426 XNGFSOFXSAAHFQ-NFVLHAOASA-N 414.502 5.247 30 40 HKEB C=C1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@H]12 2150831 QXZCBRHBEXEZSO-IEBWSBKVSA-N 400.431 5.131 30 40 HKEB biogenic CCCCCCCCn1c(O)c(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 2291181 QREJVLJZSWVSEJ-UHFFFAOYSA-N 420.553 5.937 30 40 HKEB O=C1/C(=N\Nc2cc(Cl)ccc2Cl)C(c2ccccc2)=NN1c1ccccc1 4578365 MFPWJQVBMQJJMB-QQTULTPQSA-N 409.276 5.212 30 40 HKEB Cc1ccc(-c2nnc(S)n2/N=C\c2cccc(OCc3ccccc3)c2)cc1 4754837 OGFHJHKRGYHBLU-IWIPYMOSSA-N 400.507 5.003 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 5408947 AOPSJHYXWFPEAW-NRFANRHFSA-N 416.477 5.063 30 40 HKEB CCOC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N 6089427 NAWOBJXDTUPGFT-HNNXBMFYSA-N 422.937 5.984 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1OC 6419742 ADJMSIAJMYJTOD-JOCHJYFZSA-N 407.510 5.162 30 40 HKEB S=C(N/C=N\OCc1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 12956396 GHOABDYKXWPSAO-UHFFFAOYSA-N 423.152 5.747 30 40 HKEB Brc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 14134287 WFRYBRMGTLRCLK-YDZHTSKRSA-N 421.298 5.350 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)cc1 33027062 BQKWDHIIAGTQHS-UHFFFAOYSA-N 415.449 5.754 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc2ccccc2n1 34132940 HJUNPDYYODLDFU-MHZLTWQESA-N 404.513 6.698 30 40 HKEB Brc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461343 QVDRFBOPVVEHGC-WGQIQHNGSA-N 401.285 5.639 30 40 HKEB Cn1c(=O)c(C(=O)/C=C/c2cccs2)c(-c2ccc(Cl)cc2)c2ccccc21 95946318 YGXZIWGHBVCTQS-OUKQBFOZSA-N 405.906 5.817 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1 103459684 GQYCYKNHEHGWAM-DWNWEZKESA-N 401.944 5.334 30 40 HKEB CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)NC1=O 104145914 POUORNAHUUKXTL-VWLOTQADSA-N 400.607 6.593 30 40 HKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408533453 YSSQPYRIKHATNB-WJDWOHSUSA-N 407.322 5.674 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c2ccccc21 408819283 PTWUSILBHOTTOA-MOSHPQCFSA-N 407.926 5.681 30 40 HKEB C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 408894861 GLIRRLAWDIJLBL-UHFFFAOYSA-N 419.565 5.567 30 40 HKEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409077886 AZHMSTNGEJLZPT-GRSHGNNSSA-N 412.272 6.042 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 711653 RZWRDQDUPFUEMV-FSJBWODESA-N 407.267 6.022 30 40 HKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccccc2C(=O)c2ccccc2)O1 2266736 IEIVFIBSUCKLIO-AAKABQDTSA-N 409.485 6.328 30 40 HKEB O=C(C[n+]1ccc(/C=C/c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 2684613 BHEOXLNTXRZJEU-CCEZHUSRSA-N 421.545 5.974 30 40 HKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1 2705509 SAEGLRAQWVLSKA-QHCPKHFHSA-N 419.521 5.281 30 40 HKEB COC(=O)c1ccc(/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 3112588 HEBXBGVREZLFKN-OGLMXYFKSA-N 423.468 5.905 30 40 HKEB Cc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 4147641 ROTJZLCREQBCQV-UHFFFAOYSA-N 408.457 5.811 30 40 HKEB Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c1 4872302 YEIUVRKLZLUHDW-SFHVURJKSA-N 423.582 5.179 30 40 HKEB CCOc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 5872864 IALORWFDUFDTKC-HMMYKYKNSA-N 414.417 5.558 30 40 HKEB Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1C 6025306 JUOSMGUCRBYHKB-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C/c1ccc(-c2ccccc2)o1 16711729 LMJBAFBJSQSOCM-XCHGRPGXSA-N 415.518 5.009 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccco3)sc2NC(=O)Cc2ccccc2)cc1 16753135 MNBZYJBXPWQKKZ-BUVRLJJBSA-N 416.506 5.339 30 40 HKEB COc1ccc(N2C(SC)=N/C(=N\c3ccc(Cl)cc3)C23CCCCC3)cc1 17241865 LSMAKKGBKKZTLO-GFMRDNFCSA-N 413.974 6.321 30 40 HKEB C[C@H]1O[C@H](C)[C@@H](C(C(F)(F)F)C(F)(F)F)O[C@H]1C(C(F)(F)F)C(F)(F)F 100053159 GADARVPRNLRGMP-KAZBKCHUSA-N 416.202 5.029 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@H]1CCCO1 104260118 MQOCPPQDMPIRFU-JWQCQUIFSA-N 410.683 8.139 30 40 HKEB CCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 210814749 CYIMORLVMXKPBZ-SREVYHEPSA-N 416.221 6.862 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 257345233 KPMMIZLQECJQJE-SSSHKRAFSA-N 407.554 6.590 30 40 HKEB Brc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 408737395 OTEXRPVORIYKKZ-LFVJCYFKSA-N 402.295 6.052 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(Br)cc2)cc1 408960652 NLQNBVKRIKVKFS-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc([N+](=O)[O-])o3)c(C#N)c2-c2ccc(C)cc2)cc1 409340607 ADFCOLXQEUMCFJ-VULFUBBASA-N 411.417 6.354 30 40 HKEB N#Cc1c(Cl)nc(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 1383188 MEUSRFIXXVCSRT-UHFFFAOYSA-N 405.832 5.980 30 40 HKEB Cc1sc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c(C#N)c1C 2083534 WRBCMHONHYWYBW-UHFFFAOYSA-N 417.921 6.358 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 4150994 JLXYVCYEFVJUGG-RNWIMVQKSA-N 422.572 7.098 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O 4910624 XNLUDRULBSSUBG-NRFANRHFSA-N 417.553 5.014 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 5477843 GCSFOPSZTSNIEI-UHFFFAOYSA-N 404.322 5.413 30 40 HKEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 5478415 VDKDOUFITXSQCL-UHFFFAOYSA-N 408.527 5.629 30 40 HKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 5693207 GZRBCGFHOGOKKE-ACCUITESSA-N 403.394 5.167 30 40 HKEB CCCCc1c(O)c(C#N)c(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)c1=O 6398039 UDFYQRZEEANNFM-UHFFFAOYSA-N 413.304 5.731 30 40 HKEB CC1CCN(Cc2nc(Oc3ccc(C#N)cc3)c3c4c(sc3n2)CCC4)CC1 7718827 YXHGUCMGXVPFSU-UHFFFAOYSA-N 404.539 5.076 30 40 HKEB O=C1N/C(=N/c2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 9323835 KEOQCFFVLHLSSC-LHHJGKSTSA-N 418.132 6.192 30 40 HKEB CCOc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043630 WKDPTGGOTBEBMR-RXFRQMQLSA-N 402.519 5.984 30 40 HKEB CCCCc1ccc2nc(NC(=S)/N=C(\O)C(Cl)(Cl)Cl)sc2c1 32118804 TZOORLKVVAPWKJ-UHFFFAOYSA-N 410.779 5.662 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475140 WSJVMAARBNACOZ-MFKUBSTISA-N 419.937 6.585 30 40 HKEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59475156 RMOQMTKXNFXWSN-NLRVBDNBSA-N 411.530 6.488 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccc(C)cc1 100298702 PLFZOAIZHMUWNW-TZIVZOBOSA-N 400.931 5.671 30 40 HKEB Oc1ccc(/N=N/c2ccccc2Cl)cc1/C=N/Nc1nc2ccccc2s1 103431248 MJBSQIBAZLCWAD-HPVIMXLTSA-N 407.886 6.517 30 40 HKEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106721484 OASHFZPDYIZFEY-YVLHZVERSA-N 419.289 5.132 30 40 HKEB C=CCC(C(=O)Nc1ccc(OCC)c2ccccc12)(c1ccccc1)c1ccccc1 225935784 CYZVLBOVZHGSOT-UHFFFAOYSA-N 421.540 6.739 30 40 HKEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344854 QUJLLDGFMXTHNW-UHFFFAOYSA-N 424.081 5.089 30 40 HKEB C=CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408857108 SELYCRKPFBSVDM-ONUIUJJFSA-N 416.546 6.195 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 408882456 NFOVUBOETLBOSQ-BIFPGVLTSA-N 424.541 6.161 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2cccn2-c2ccc(Br)cc2)nc1 408940986 JFLBCAVGRQKBCQ-KSEXSDGBSA-N 409.209 5.100 30 40 HKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)cc1 409104533 JLTFXQFIWAABQA-CCEZHUSRSA-N 405.450 5.313 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c1 409216091 HYVLCNBZVDPXPK-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 409371164 FUEMKNHJDLMOND-DEDYPNTBSA-N 404.893 6.140 30 40 HKEB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889196999 GQZPOAUVKZAMQR-MTZTUEIHSA-N 406.610 7.081 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccccc4F)nc3c1)OCO2 802272 WIXHNQLMLKPKPY-AUEPDCJTSA-N 405.341 5.021 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3ccccc3F)c(Nc3cccc(Cl)c3)nc12 1469983 GNAKGEWACAHPMK-DHRITJCHSA-N 406.848 5.290 30 40 HKEB N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2 2063767 SNRBHNRNMBFZDR-UHFFFAOYSA-N 407.347 6.272 30 40 HKEB N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(Br)cc2)c1N 2350999 ZHGBCUNNJIFNJD-UHFFFAOYSA-N 416.275 5.078 30 40 HKEB C=CCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 3771736 GHWYGXUCWDDEPA-AREMUKBSSA-N 416.590 5.655 30 40 HKEB CC/N=C1\S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC 4543635 ILVAEVGKPQQNAQ-RRJMXWIWSA-N 407.514 5.141 30 40 HKEB C#CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 5055163 SUSKTAJBXXLAPU-UHFFFAOYSA-N 412.558 5.301 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 5194628 UKSGWEUHCKWTHY-FMCGGJTJSA-N 408.856 6.291 30 40 HKEB Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccc(Cl)cc2)cc1 15979717 XBMPBTVFQASWDA-ZMOGYAJESA-N 406.825 5.866 30 40 HKEB COc1ccc2ccccc2c1/C=C\C(=O)c1ccc(OCc2ccccc2)cc1O 17315905 OQXQZGIDTHOTGF-PFONDFGASA-N 410.469 6.029 30 40 HKEB N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2cc(Cl)ccc2s1 71810554 JFDHDXGVYHBKMU-LBPRGKRZSA-N 414.273 5.748 30 40 HKEB O=[N+]([O-])c1cc(/C=N\Nc2nc3ccccc3c3ccccc23)ccc1Br 83308940 ORGNAAHSYOFZIO-UUYOSTAYSA-N 421.254 5.505 30 40 HKEB Brc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)cc1 101736540 GXHDMJKNGPWJJI-HAHDFKILSA-N 411.299 5.296 30 40 HKEB CS/C(=N\C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1 103926230 VUCTUWWTWBLEEL-ZIADKAODSA-N 403.550 7.393 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3cc(F)c(N4CCCC4)cc3C)cc2)c1 107662283 SEALIGSHZBAKMI-WPWMEQJKSA-N 404.485 6.286 30 40 HKEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613021 XGECSQVQOOSNAM-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC1CCCC1 253495525 HPFVBGJFAYZEBE-ZKESZXJYSA-N 412.614 6.401 30 40 HKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCc1ccccc1 408802766 HDWODBARUNBHEA-MXAYSNPKSA-N 413.304 5.439 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(Cl)cc3)cc2)cc1 408848049 XXFVJZAFGWAUIP-YZSQISJMSA-N 402.881 6.682 30 40 HKEB CCCCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 408850322 LHTFAVFQCKFMBW-JCMHNJIXSA-N 420.509 6.049 30 40 HKEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 408851981 OPAHYPPIRJQWIW-LGJNPRDNSA-N 418.880 5.166 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C 408961372 SGWWWGBSEAWDSL-VUTHCHCSSA-N 407.561 7.459 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc(F)c1 409111265 BBYQRRDNPBFHMP-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)ccc2O)S1 409220734 FBAPHDRHUAUPSN-OVCLIPMQSA-N 423.719 5.008 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(C#N)cn3)c2C#N)C1 505464641 MKIQMBFZSQULBE-HNNXBMFYSA-N 424.595 5.158 30 40 HKEB Cc1ccc(C(=NCc2ccc([N+](=O)[O-])cc2)/N=c2/sc3ccccc3n2C)cc1 2033248234 XXXLUXCFLWWMPX-OXRFQDLDSA-N 416.506 5.004 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)c(C)c1 3089355 LGYQGUNLJQZDIA-JVWAILMASA-N 424.456 6.335 30 40 HKEB FC(F)(F)c1cc(/N=C/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 3671775 UIGCBSSNYKAPIX-UHFFFAOYSA-N 401.137 6.803 30 40 HKEB CCc1ccccc1NC(=O)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCC2 4554189 QACSSDFFENCQDS-MFKUBSTISA-N 404.535 5.898 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 4936146 WCTSUQOMKZPMGE-SNPIYUIBSA-N 407.583 5.636 30 40 HKEB CCCCCC(/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2)=C\c1ccccc1 8637731 RTJMMSODBQUTEU-UZTIWCKUSA-N 409.643 6.069 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 22129829 GMRQFYUYWCNGIN-QSWBGIMISA-N 416.646 5.705 30 40 HKEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCC=C(C)C)c3C)C1=O)cn2C 28182670 NFHHSNQYHXVOLG-FMCGGJTJSA-N 403.478 5.457 30 40 HKEB CCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc1 59608682 XSXSORUQICWBEU-DEDYPNTBSA-N 422.565 7.028 30 40 HKEB O=C1c2ccccc2C(=O)C1/C(=N\c1ccc(Oc2ccccc2)cc1)c1ccccc1 100436104 YENYUAVSTSFOAM-WCTVFOPTSA-N 417.464 6.295 30 40 HKEB CCCCCCCCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 102562051 ZFMCNZCVSLPSAR-UHFFFAOYSA-N 410.001 7.522 30 40 HKEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 102596255 AYZRNULSKILFQY-SELCWUDQSA-N 404.293 5.215 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 102624564 GUDVMAICOPLWKQ-JBCNATCCSA-N 421.855 5.414 30 40 HKEB CCCCCCCCOc1ccc([C@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 108454403 XIGNXBIZODINNE-GOSISDBHSA-N 409.555 5.905 30 40 HKEB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 119183431 SQQPSUJRXSKDHI-UUGLMTBLSA-N 416.690 7.254 30 40 HKEB Clc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 408722277 GGBFSUNJOXCCHC-AFUMVMLFSA-N 409.341 7.535 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408845612 HXOBYPSFEANXMX-XYGWBWBKSA-N 418.338 6.398 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409096795 MBJLCGHEDHOOEK-FOKLQQMPSA-N 417.252 5.322 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 409213364 SZIOGDDTIXIGOT-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB COC(=O)c1cccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1C 409230172 CDUCPKFTZMRONK-FSJBWODESA-N 412.283 5.863 30 40 HKEB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccccc2C#N)cc1 585105709 FWOIMGYTBZPRMK-UHFFFAOYSA-N 408.501 5.242 30 40 HKEB Cc1ccc(O)c(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 1435668 JAWIQXPRFCCOSO-YDZHTSKRSA-N 410.267 5.433 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047388 BCUYKINVZDQLPK-UHFFFAOYSA-N 400.522 6.835 30 40 HKEB Clc1ccc(/N=C(/c2ccccc2)N(c2ccccc2)c2ccc(Cl)cc2)cc1 4114007 WZJWLCYVLREZNK-FVDSYPCUSA-N 417.339 7.910 30 40 HKEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)cc1 4545639 SOIJLWQKAJHEGZ-AFUMVMLFSA-N 408.498 5.778 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(F)cc1 6096962 GBKUBDPCMBFJJL-UHFFFAOYSA-N 410.518 5.124 30 40 HKEB COc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 12570181 PYVFBIVSUQFTRX-QPSGOUHRSA-N 423.616 5.282 30 40 HKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 14189467 MPZAKGLERHTNPL-UHFFFAOYSA-N 414.559 6.172 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O 16291621 ASECEIZNZNPQCK-JTUXUYRKSA-N 414.530 6.121 30 40 HKEB O=C(/N=C(\N=C(\NC1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1 17123590 ORTZXBQWDGMNLO-UHFFFAOYSA-N 409.533 5.643 30 40 HKEB C=CCn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1OCC 27298742 BNACOEGYECWQQQ-UHFFFAOYSA-N 415.946 5.354 30 40 HKEB CCCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 32099730 RVDUJGFGFLURPW-UHFFFAOYSA-N 421.581 5.791 30 40 HKEB Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)cc1 35489176 AKQSEPMNORZAEK-WEWMWRJBSA-N 415.496 5.405 30 40 HKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 59463827 UWARALZQGAKQPB-WGOQTCKBSA-N 414.530 6.553 30 40 HKEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CCC)C2=O)cc1 97464938 VJCJTHBYXOVJEX-WFXBMRRRSA-N 420.534 5.111 30 40 HKEB O=C1c2ccccc2-c2cc(Br)c(/N=C\c3c[nH]c4ccccc34)cc21 104368730 NYSIUERGBXTIEI-ROTLSHHCSA-N 401.263 5.892 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@@]21C 118925271 PFDDSGLPIFLJTA-APVOWSEVSA-N 412.658 7.649 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497834 MNCABEXSEDNYIM-FBJOWQHBSA-N 421.625 5.719 30 40 HKEB biogenic CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl 409009197 ZFYNITSQRRJBAB-ABZPLFOESA-N 418.921 5.890 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409077639 GGOHFXJNRDTKKZ-BOPFTXTBSA-N 417.328 5.079 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409084105 WNCNDVZUUVVQNP-MZJWZYIUSA-N 423.940 6.051 30 40 HKEB CC(C)/N=C1\S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C(C)C 409208836 ALIUIYRHZHJACC-DSHJWZCDSA-N 406.349 5.020 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 409215046 ZHSFXFINXDJWNS-RGVLZGJSSA-N 409.121 5.835 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(Cl)cc1 584905949 DKCXHKYNXTWKKG-UHFFFAOYSA-N 405.748 6.051 30 40 HKEB Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(B3OC(C)(C)C(C)(C)O3)c21 2362801466 IFAQYYXAOMIWCQ-UHFFFAOYSA-N 419.418 6.226 30 40 HKEB C=CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 2308380 IYOBNWIQYWQLGT-AWEZNQCLSA-N 422.579 5.121 30 40 HKEB CC[C@@H](/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C 5545988 KVPXFJKDHHAEGO-BVHWPRFASA-N 421.759 6.619 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 5902708 PDKFUOMXHHBXER-NSHDSACASA-N 407.366 6.330 30 40 HKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)o1 6866887 YERPOMUQHNPQRA-LPYMAVHISA-N 404.451 5.733 30 40 HKEB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 7987901 ZYOSDPLVZVSUIH-UHFFFAOYSA-N 402.475 5.057 30 40 HKEB C=CC(C)(C)c1c(OC)cc(O)c2c(=O)c3c(CC=C(C)C)c(O)c(O)cc3oc12 13411981 UIIGEZZURHDEDK-UHFFFAOYSA-N 410.466 5.044 30 40 HKEB biogenic,in-vivo CCOC(=O)c1oc2ccccc2c1CSc1nc2ccccc2n1CCC#N 15981147 XQSQSJHZGRNRPS-UHFFFAOYSA-N 405.479 5.165 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1Cl)c1ccccc1N2 21722469 GDFLRPUBZXYWFT-XMMPIXPASA-N 420.965 6.582 30 40 HKEB N#Cc1c(NC(=O)CSc2ccnc3cc(Cl)ccc23)sc2c1CCCC2 41107862 WDRFUXSWWJAJOW-UHFFFAOYSA-N 413.955 5.431 30 40 HKEB O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)s1 57434718 WMDLIKFWFUWONE-WQRHYEAKSA-N 412.923 5.666 30 40 HKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59303120 FQNBCANVSYKQSG-VULFUBBASA-N 412.445 5.394 30 40 HKEB CC(C)c1cc(C(C)C)c(/N=C/c2ccccc2)c(C(C)C)c1/N=C/c1ccccc1 104340944 GDEHVUVSJMBQMX-GFTXTJKWSA-N 410.605 8.558 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656832 YGHRRVXNYUVHRO-IBGZPJMESA-N 409.599 5.535 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(C)cc1 408907642 BZEZLDGYHUMUFJ-BZKUUJCWSA-N 408.523 5.184 30 40 HKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccs3)S/C2=N/c2ccccc2)cc1 408917495 VPFBOGZLPOSGEO-ZQRXGZGKSA-N 420.515 5.251 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408948354 RGNRPHVMTWBSQB-MXAYSNPKSA-N 424.884 5.373 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 408966798 OFHYRKRNYCJTRS-HAHDFKILSA-N 424.529 5.534 30 40 HKEB CC[C@@H](C)n1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409031050 GDGVMRRWPKIXSG-KMPPRUNQSA-N 411.365 5.943 30 40 HKEB COc1cc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 409062708 ZJYZHLGJGNFWBK-BUHFOSPRSA-N 405.450 5.313 30 40 HKEB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C1=O 409208339 FGEIGIJVQDPLAK-STZFKDTASA-N 406.507 5.364 30 40 HKEB C=CCN(C(=S)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 3057187 QESNXHGFGVECTJ-UHFFFAOYSA-N 422.937 5.949 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC1 4043667 UNUUCKOLQOHQFO-CMNQHTDYSA-N 413.602 5.760 30 40 HKEB biogenic CCOC(=O)c1c(N/C(=N/C2CCCCC2)c2cccs2)sc2c1CCCC2 4129653 YFEIYWRSUTUADI-UHFFFAOYSA-N 416.612 6.057 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1cccc(Cl)c1C 4664474 LQTXIAPZNHLECY-HPJGCCTDSA-N 414.914 5.059 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc2ncccc2c1 5456778 CICIHDKJDZRQRS-RWPZCVJISA-N 404.477 5.224 30 40 HKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 12194182 ZEPZCROSHUGCJQ-IXCJQBJRSA-N 424.544 6.617 30 40 HKEB O=C1/C(=C\c2cccc(F)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(F)c1 13590317 SJDWRYZWCMBXBE-SEKXJNOLSA-N 401.456 5.517 30 40 HKEB Cc1ccc(/C(=N\O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)cc1 13801556 PCJYASZOQSTSFI-SOYKGTTHSA-N 409.441 6.050 30 40 HKEB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 14152940 LSHCDTNKJCDSSR-UHFFFAOYSA-N 408.914 5.016 30 40 HKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196902 PCXKZZVQZOFXCA-XMMPIXPASA-N 414.505 5.170 30 40 HKEB COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1 59418082 KMBKIKFZRYMUFY-ZMOGYAJESA-N 423.925 5.983 30 40 HKEB Clc1ccc2oc(SCC#CCSc3nc4cc(Cl)ccc4o3)nc2c1 96136966 ZDIGBPOSGJJBMN-UHFFFAOYSA-N 421.330 6.164 30 40 HKEB CCCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 102568249 PHZKMXNIEORQGO-UHFFFAOYSA-N 424.810 6.742 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C\c1c(O)ccc2ccccc12 102774356 JAYIUYNQPAYHPU-JVCXMKTPSA-N 423.685 9.226 30 40 HKEB CCCCCCCCCCCCCCCCSc1ccc(Br)cc1 104134573 IGVGAMCTVCTBLR-UHFFFAOYSA-N 413.509 9.023 30 40 HKEB O=C1CS/C(=N/N=C\C=C(/Cl)c2ccc(Cl)cc2)N1c1cccc(Cl)c1 141487082 CHQQDAGMPXMMRL-DDVVZMJVSA-N 424.740 5.695 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1Cl 408734943 HONHCBJNBXEQBN-JRXWSOMVSA-N 400.734 6.050 30 40 HKEB O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2/C=N/c2ccccc2)c([N+](=O)[O-])c1 409209159 GCPCZKWMVRQDAP-BUVRLJJBSA-N 413.389 6.199 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409211846 NHFHUNLKQMDQMS-CVKSISIWSA-N 406.913 5.979 30 40 HKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077636 PIKQHZQHWDYWOE-RBTNQOKQSA-N 424.544 6.373 30 40 HKEB Oc1ccc(/N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2s1 1879455 ZFIICEYWTYWDGL-NABLLQKMSA-N 400.459 5.813 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c1 2107161 JLHHFDQMDCGZAR-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O 2130058 IJGRCEMTUSSQDP-HKMXWPIPSA-N 416.454 5.291 30 40 HKEB biogenic CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2622675 TVSAFIJSBAXCMR-HSZRJFAPSA-N 405.523 5.155 30 40 HKEB COc1cc(/C=N/N2[C@H](C)CCC[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl 5505646 KDPIFJWFWIGHDV-YMNFJINHSA-N 421.368 6.178 30 40 HKEB CCCCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 8686285 MHCYRRKTMDEKHO-ZCYQVOJMSA-N 411.545 6.071 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cccs1 12564683 BPAQCLKTIICBHJ-VAWYXSNFSA-N 401.447 5.405 30 40 HKEB C/C(=N/Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Br)cc1 14922750 ZIPGKSSZIJYAHW-OYKKKHCWSA-N 422.351 6.562 30 40 HKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc3c(c2)c2ccccc2n3CC)cc1 44843091 XQVZFAGDHGBERM-WUKNDPDISA-N 412.533 6.802 30 40 HKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccccc1C(F)(F)F 100405989 GQEIZUDMUHSGAI-CMDGGOBGSA-N 424.209 6.622 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 101660326 CGIUDRVZRSHVSR-UHFFFAOYSA-N 411.542 6.230 30 40 HKEB Brc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408949332 BARMHZMZVGQUQP-GIDUJCDVSA-N 407.887 5.318 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 409030499 DPZYJKKQJUFPSU-UMDHDWCXSA-N 423.115 5.967 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409033876 GHHGENGHCRRAAZ-GFXGDVFHSA-N 423.115 5.967 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)C3CCN4CC3)o2)c([N+](=O)[O-])c1 409203445 WJOCBZMQFUUIEA-MSXFZWOLSA-N 418.478 5.544 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)cc2)cc1 409214156 WAMBIUFJDCCHAI-MTDXEUNCSA-N 423.516 6.340 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409318291 VKROVHFVNWYMQC-UUYOSTAYSA-N 419.458 5.512 30 40 HKEB CCC[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@]3(O)CCC(=O)O)[C@@H]12 1529035840 DNHCHRGCTVRAFT-ZJARGVCYSA-N 402.575 5.140 30 40 HKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)o1 2173837 PYNSPEPKYVVTJL-GDNBJRDFSA-N 410.326 5.324 30 40 HKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c(O)cc(C)c(Cl)c4C)c3)oc2c1 3068519 XWJNZIZJBNCWJR-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB CC(C)(C)c1cc(Sc2cc(C#N)c3ccccc3n2)cc(C(C)(C)C)c1Cl 3672499 YGBSFGLZNUCBAQ-UHFFFAOYSA-N 408.998 7.506 30 40 HKEB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 4081530 YDDVOKKQEBUWJE-ODOUJHFYSA-N 414.630 6.502 30 40 HKEB biogenic Cc1cc(C)c(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)c(C)c1 4825707 OVHURVOUHBTXSP-BHGWPJFGSA-N 412.327 6.456 30 40 HKEB CC(C)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4950052 FFOXEQOXMWHYLK-UHFFFAOYSA-N 413.373 7.342 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 5547738 CTSARLXLZPKXPE-JXMROGBWSA-N 406.787 6.524 30 40 HKEB COc1ccc(C)cc1/C=C(/C(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 6651929 SMHQRCDYCZMXPE-RGEXLXHISA-N 402.881 5.957 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)SC1=S 12629551 LSPOLEMQZAQRBE-MFOYZWKCSA-N 413.593 5.031 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 13482282 BPBWXYUJJPCQEA-LDLFBNOTSA-N 404.510 5.041 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 13942002 AGGCQRHZSOVCOI-MFOYZWKCSA-N 405.306 5.070 30 40 HKEB CCc1ccccc1NC(=S)NCCCNc1nc2cc(C)cc(C)c2cc1C#N 35311713 WDUMZEVZGCWZGY-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1 46084908 NACIMSGEILIXPO-MOHJPFBDSA-N 421.324 5.285 30 40 HKEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102858721 ZQYQUVACOFFCCJ-HOGKFDNTSA-N 415.489 5.199 30 40 HKEB NC(=O)Cn1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c2ccccc21 409384428 BJTHQHYOCXJJDU-LGJNPRDNSA-N 403.869 5.323 30 40 HKEB O=C(Cc1ccccc1)Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F 1800992 XUPPMQDNHSEHNB-UHFFFAOYSA-N 411.342 5.750 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc12 2067253 GXYAINUVUBJNOW-ONMJDPHWSA-N 407.300 7.526 30 40 HKEB Cc1cccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)c1 4107802 HESWZECFBDEARO-HSHHTGOPSA-N 401.944 5.252 30 40 HKEB COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1CC2 5425856 QKPHSQLTGLTRCO-FQEVSTJZSA-N 415.533 5.343 30 40 HKEB biogenic C=CCn1c(SCCCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(F)cc1 6561737 KBBQYTRYCJJAKM-UHFFFAOYSA-N 424.545 5.398 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 6813243 YYLIGNJEXNIHPT-CPJSRVTESA-N 417.508 5.690 30 40 HKEB C=CCOc1ccc2c(-c3ccccc3)c(C(=O)N3CC(=O)Nc4ccccc43)oc2c1 9669522 SOXBHWJTVHJNEP-UHFFFAOYSA-N 424.456 5.264 30 40 HKEB N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1cccc(Cl)c1Cl 9730801 MOTJYGMXRCRPNJ-UHFFFAOYSA-N 415.305 5.053 30 40 HKEB Oc1c(Cl)cc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCOCC2)cc1 16480943 HCOJDAAFQZUGME-YZSQISJMSA-N 406.913 5.224 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1OC 20737336 OKBHKNZQMBASTC-BTYIYWSLSA-N 422.506 5.020 30 40 HKEB CCCOc1ccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)cc1 72228699 CIKWVARCGDEVFP-YSMPRRRNSA-N 424.570 6.152 30 40 HKEB CCCCCCCCOC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC 72400229 FIBARIGPBPUBHC-LOSJGSFVSA-N 410.683 8.139 30 40 HKEB in-vitro O[C@](C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 96194491 PXODUACRISTCKU-GDLZYMKVSA-N 409.573 5.770 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102609700 ZNZFEERSWHYFFS-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103526193 RJNBFHCRWXATPU-UHFFFAOYSA-N 422.513 9.471 30 40 HKEB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118912442 MKGZDUKUQPPHFM-LPJPOILFSA-N 410.686 8.009 30 40 HKEB biogenic,in-vitro COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408912644 QOLXIMBYRPJFRX-LBMUFILHSA-N 402.519 5.861 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408967190 QJEGUHGQQUZIRO-DHRITJCHSA-N 409.869 5.685 30 40 HKEB C=CCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OC 409119507 PWCKSGUIRULPMJ-UHFFFAOYSA-N 423.294 5.094 30 40 HKEB Clc1ccc(N=C/C=C(/Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1559628087 CIYBGKFWZJITHM-WPGSFSKCSA-N 401.724 7.502 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 729678 CVMSTRYYZJICQN-CCLHPLFOSA-N 422.553 6.881 30 40 HKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O 883200 VISZTGLDVPKYOK-HFJWLAOPSA-N 412.489 5.380 30 40 HKEB Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 4180607 IRHWCSWNHUZZGJ-CYXNTTPDSA-N 415.496 5.279 30 40 HKEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCCC2)c1O 6615990 NYPNXJWIOSLDOX-KOEQRZSOSA-N 401.466 5.242 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Cl)c2)cs1)c1ccc(F)cc1F 12900091 INYJFTGDSVRLMN-SOFGYWHQSA-N 418.852 5.655 30 40 HKEB Clc1cccc(COc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2)c1 12956895 ZMSJQKNMRLUBAZ-BRJLIKDPSA-N 420.723 6.777 30 40 HKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cccc(Cl)c1)C2=O)CC(C)C 13655447 ZWSRDASRRXWQSK-JJFYIABZSA-N 413.945 5.776 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(N(C)C)cc2)cc1 18196859 KZIZXEBBYOQWNP-XMMPIXPASA-N 412.537 5.120 30 40 HKEB C=CCn1c(SCCOc2ccccc2)nnc1-c1cc2cccc(OC)c2o1 35655187 QZTMLFLQTLTKQT-UHFFFAOYSA-N 407.495 5.057 30 40 HKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc(F)cc1 36393642 ZOFOINQBTAEQPT-OVCLIPMQSA-N 401.868 6.899 30 40 HKEB CC(C)(C)C1=C=C=C(C(C)(C)C)/C=C/C=C(/C(C)(C)C)C#C/C(C(C)(C)C)=C\C=C\1 68564962 IBBRIZYHCDDEKE-SAEHEZFYSA-N 402.666 8.760 30 40 HKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 72229763 IELKOCNGABEVSW-JJFYIABZSA-N 417.332 5.509 30 40 HKEB Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)c1 83316798 QBVIVVBJDJMLBP-MTJSOVHGSA-N 422.937 5.977 30 40 HKEB Cc1cc(Cl)ccc1N/C=C/C(=O)c1ccc2noc(-c3cccc(F)c3)c2c1 100108617 FNRHLMVBSSHXIW-MDZDMXLPSA-N 406.844 6.404 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1Cl 100948023 KXSKMJFGGQAUHM-QFEZKATASA-N 405.885 5.457 30 40 HKEB COC(=O)c1cc(OC)cc(C)c1O/C(=N\c1cccc(Cl)c1C)c1ccccc1 104233671 JNLAICWQKBNMEL-RWEWTDSWSA-N 423.896 5.909 30 40 HKEB CCCCCCCCCC[C@@H](C[N+](C)(C)Cc1ccccc1)[C@@H](O)c1ccccc1 104333514 JSGIDDVOFJXXTI-NSOVKSMOSA-N 410.666 7.144 30 40 HKEB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c1 408626541 IAEFTDNSAWKCGS-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)ccc1Cl 408656335 LYYSQXSVEFHNSR-ZMOGYAJESA-N 422.872 5.109 30 40 HKEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)c(Cl)c2)cc1 408800105 KMPMUJWHKGMCMH-QFEZKATASA-N 408.885 5.425 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408875515 JNEJVANSIBEBJW-WQRHYEAKSA-N 420.317 5.795 30 40 HKEB COc1ccc(CN2C(=O)/C(=C/c3ccccc3C)S/C2=N/c2ccccc2)cc1 408916645 FOAMXCBPBSWRFB-IVCURSBOSA-N 414.530 5.808 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408942365 QMCRBOUAITYHKE-SBRNOXJPSA-N 422.572 7.361 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 409202018 NQJNVIHWNMGGCT-JFLMPSFJSA-N 411.904 6.770 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 409214950 VJXQERXQHYVCJS-AFUMVMLFSA-N 409.869 5.767 30 40 HKEB CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 4349865 TUTYRLQNHFAZLK-HSZRJFAPSA-N 418.562 5.324 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ncccc13)N2 4615527 LFOKAOMWLKUCCW-FQEVSTJZSA-N 405.295 5.562 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@](C)(CC)OC3 4652674 CFUOQUQTCKPALF-QFIPXVFZSA-N 412.580 5.275 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@H]2c1c(F)cccc1Cl 5190679 ZUDZRLWCENETOC-FQEVSTJZSA-N 414.864 5.399 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 5500759 IEMLYDMCKMBFRU-UHFFFAOYSA-N 424.545 5.299 30 40 HKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(Cl)cc1 9446026 LCTAHPLEMDIDLD-NTEUORMPSA-N 418.323 7.413 30 40 HKEB C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13540644 CXUORUGFOXGJNY-LUZKGJLSSA-N 400.647 6.569 30 40 HKEB in-vitro O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 13576463 HFYALIHONCBVRS-WQRHYEAKSA-N 415.301 6.145 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(F)cc1 16268136 SJHRIJUJNITWMO-LJQANCHMSA-N 413.279 6.349 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 59418079 CQDQPWCBDSXYDI-ZMOGYAJESA-N 407.470 5.469 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccc3ccccc23)cc1 104223045 ARCXFJATZIPTEF-UQQQWYQISA-N 400.503 5.700 30 40 HKEB C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1Br 408612551 SLHQCUHNGDINRP-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 408961310 RIQXIMVUFIONTQ-MTDXEUNCSA-N 416.565 6.672 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408964927 IORYUZQHIRCANE-FYJGNVAPSA-N 405.498 5.433 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)S/C1=N/c1ccccc1 409159673 WEBRKTILILTMLU-TWGQILOBSA-N 418.474 5.269 30 40 HKEB COc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 409208198 AFEFXVFJOBLIOS-WGOQTCKBSA-N 412.445 6.086 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(F)cc1 409230024 BKZJFTNXUUGZKT-FYCBZXFJSA-N 412.530 5.890 30 40 HKEB CC[C@H](C)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409302839 GULSXKBAMOUZFA-SFHVURJKSA-N 403.526 5.504 30 40 HKEB O=C(c1cc(Br)ccc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243082 JIBNKCLMUAKOHH-UHFFFAOYSA-N 421.028 5.239 30 40 HKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 1434411 BEMVKXCZQGMMLJ-FOKLQQMPSA-N 411.230 5.853 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2o1 1445271 LZHOUMSDCPZJBS-FOKLQQMPSA-N 401.378 5.191 30 40 HKEB O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 2385163 DCFYGBBSBNSQRB-AATRIKPKSA-N 422.653 6.005 30 40 HKEB O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1cccc2ccccc12 2417361 DEJNEQBDQJGINL-MHZLTWQESA-N 416.480 7.070 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C[C@H]12 4040189 KBWQXZRWBYAKNJ-HWFJPIJWSA-N 411.586 5.285 30 40 HKEB biogenic Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccccc2F)S1 4677743 VWFLNLYYJAYOGJ-XDHOZWIPSA-N 411.889 5.470 30 40 HKEB CCCCOC(=O)CCCCCCC/C=C/[C@H]1C=C[C@@H](CCCC)[C@@H](C#N)[C@H]1C#N 5539541 OUCFEMDIOMPJEK-JMJBZYLLSA-N 412.618 6.889 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl 6553798 PHBJCPBONAJPEI-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)OCc3ccc(C#N)cc3)c2c1 6590911 JHNXCFIEJPWZGZ-UHFFFAOYSA-N 400.503 5.753 30 40 HKEB Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)n1 11865364 RTVXIBVCYVSRDG-UHFFFAOYSA-N 414.486 5.341 30 40 HKEB biogenic CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(F)c1 12406302 RQJCEZHPERLMRQ-CNFVUWAHSA-N 400.881 5.631 30 40 HKEB C=CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S 12745008 ZFNYYBXUULAGSZ-OAQYLSRUSA-N 406.555 5.070 30 40 HKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cccc([N+](=O)[O-])c1O 13476213 MWJYAWWWBPCDOW-FSJBWODESA-N 403.394 5.176 30 40 HKEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 13655681 DCJTZMAEAGUEHZ-NVMNQCDNSA-N 421.276 5.330 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 21722461 VQMVJJDZBHUUKE-XMMPIXPASA-N 420.965 6.582 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)c2C)c(C)c1 59105802 KHDFOVVIHQZRGQ-LPYMAVHISA-N 419.525 5.742 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59302270 CCJXSFJWYJVFAL-WSDLNYQXSA-N 417.690 5.430 30 40 HKEB CCCCCCCCCCC(=O)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 97944406 XUZNLSABYQJXRW-UHFFFAOYSA-N 407.605 5.210 30 40 HKEB C/C(=C\C(=O)C(F)(F)F)Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 100094423 AZCVUODXGDMBJP-RMKNXTFCSA-N 424.728 5.993 30 40 HKEB CCn1c2ccccc2c2cc(N/C=C(\Br)C(=O)C(F)(F)F)ccc21 104731531 GODOSNYZRRBINR-UVTDQMKNSA-N 411.221 5.594 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408738419 KPJXLNIDRCWHSC-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC 408743202 ZPVUNFNNTNORBS-SSDVNMTOSA-N 419.344 5.419 30 40 HKEB CCCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccccc1 408908839 SKSRCVHUALNTJW-MNVZFQSXSA-N 401.329 5.463 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)c1 409082409 SGCQKBLLZHUBTJ-MXAYSNPKSA-N 408.523 5.218 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3O)c3ccccc32)o1 409392459 MRYBUJQYTCKOAJ-MYKKPKGFSA-N 408.841 5.179 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc3ccccc13)Nc1ccc3ccccc3c12 2059366 FXPSLLYYUQMIJI-NDEPHWFRSA-N 403.525 7.303 30 40 HKEB Cc1ccc2nc(-c3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3O)oc2c1 3084983 ZRYSOMQPBWQGCE-OPEKNORGSA-N 406.869 6.235 30 40 HKEB Cc1cc(C)cc(O[C@@H](/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 4934691 KLUSZYSLMARHPA-VFAFIFLJSA-N 400.435 5.011 30 40 HKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1 4944864 IUHJQEMGYXVBAK-KRWDZBQOSA-N 423.484 5.007 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)o1 5174153 VEHVLXZMSLMJJI-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2(C#N)CCCC2)cc1 6549939 YNDPMYMIZOSONE-UHFFFAOYSA-N 401.535 5.281 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 8811727 RGHZQVXRDJXLEZ-WYMPLXKRSA-N 417.296 5.433 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c2cc(OC)ccc21 9422252 ADPIJSKLOJEPPK-SSDVNMTOSA-N 419.477 5.238 30 40 HKEB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 13294282 SRSFIVARBVIBSL-NPQOUYBPSA-N 411.571 5.479 30 40 HKEB Cc1cccc(N2C(=S)N/C(=N\c3c(C)cccc3C)[C@]23CCOC(C)(C)C3)c1 13471595 VXIZFBJYWYNFEU-XMMPIXPASA-N 407.583 5.364 30 40 HKEB N#C[C@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 13957976 NFJDLFJJBCGKDP-DHIUTWEWSA-N 416.322 5.865 30 40 HKEB C/N=C1/S/C(=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)C(=O)N1C 59104672 MCRJGGHROMEIKC-IAUUDGPGSA-N 422.937 5.604 30 40 HKEB Brc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461341 QVDRFBOPVVEHGC-GNSOHCBRSA-N 401.285 5.639 30 40 HKEB FC(F)C(F)(F)Oc1ccc(/N=C/c2cccs2)cc1/N=C/c1cccs1 97831953 VVBXVVOXTNLTGN-HIWNQQMRSA-N 412.433 6.548 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)C2 100744439 ZKIHPMHVQZGSRY-ITJXQFHTSA-N 420.658 5.052 30 40 HKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 101284717 LJRBYPDKDUNYEI-LJQANCHMSA-N 402.926 5.124 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 104103026 FOXWYSAIYTXCQZ-MRJHHRETSA-N 421.855 5.414 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(N=Cc4ccc(Cl)c([N+](=O)[O-])c4)c3C)nc2c1 254740557 VQNCIPLFTHBIJS-UHFFFAOYSA-N 419.868 6.732 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)cc1Cl 408750708 QRMFKSUVOOMTES-AFPJDJCSSA-N 404.257 5.150 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)S1 408779339 CYRHJQPASYTYLH-JAIQZWGSSA-N 413.974 6.073 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC 408915347 ZSSVZPLWPMENNC-FTJNEJEMSA-N 424.566 5.887 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 408945777 XHNNCTIKEIHCFW-GZCWKIMISA-N 414.936 6.931 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 409211039 LXNVZTBZCGQUOA-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409217178 SXKHZOSJUHGDLL-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB O=C(Oc1cccc(/C=N/c2ccc(O)cc2)c1)c1sc2ccccc2c1Cl 2901293 QWLYERUZXXJUDV-ZMOGYAJESA-N 407.878 6.230 30 40 HKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1 5900433 LWCXLAZRGPTDFN-LFVJCYFKSA-N 400.507 5.556 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)N2c3ccccc3C=C[C@@H]21 8448574 NHRVXFXRRONMJZ-SDHSZQHLSA-N 419.459 5.110 30 40 HKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 9422463 VKAFHJLXGXOGCT-ZMOGYAJESA-N 409.441 5.322 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Sc1ncccc1[N+](=O)[O-] 13575389 YKIUUCKNXCUVRC-UHFFFAOYSA-N 410.458 5.742 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 13899529 YAWIWBYUJQNREP-BUVRLJJBSA-N 418.294 5.758 30 40 HKEB C/C(=N\c1cc(Cl)ccc1Cl)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 18250795 FXYULEVHXWKVPR-UFFVCSGVSA-N 405.241 5.242 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 28182575 UVSLAGFVPUQWRN-MXAYSNPKSA-N 413.448 5.996 30 40 HKEB CCCCSc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2Cl)c1C#N 28627714 SVXOQAVAPBEQOG-UHFFFAOYSA-N 403.938 6.705 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 68603113 ZZSCOBSBVCVPGZ-XUIWWLCJSA-N 421.456 6.469 30 40 HKEB CCC(=O)C1=C(C)NC(C)=C(C(=O)CC)C1c1ccc(C(=O)Nc2ccccc2)cc1 96191626 DNBFOSYQLRVFRP-UHFFFAOYSA-N 416.521 5.132 30 40 HKEB CCCCCCCNCc1cc(Br)ccc1OCc1ccccc1F 102568207 GPTVQMUMTWKJGQ-UHFFFAOYSA-N 408.355 6.227 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O 408870237 VYMYEJXOFIJJTL-YVADOFBFSA-N 410.514 5.771 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408870675 WJJHPGHSPYPKRK-KNMGTQRDSA-N 420.534 5.598 30 40 HKEB CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1c(C)cc(C)cc1C 408994322 YLSVJFKYTOTSID-UHFFFAOYSA-N 420.549 5.931 30 40 HKEB CCCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC 409200372 IIDLWQGXRULDTC-CIAFOILYSA-N 423.294 5.456 30 40 HKEB CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409214063 XKXKJNHALNJDCG-YSMPRRRNSA-N 406.913 5.979 30 40 HKEB CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC 786751 YMJFZNFWVWDYAH-UHFFFAOYSA-N 423.553 5.067 30 40 HKEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 1077351 GQODKKWWEBSTNK-AVRWGWEMSA-N 400.547 6.290 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 1431389 SBIPOIDOYDNSCA-XMMPIXPASA-N 408.505 5.274 30 40 HKEB Cn1c(-c2ccccc2)c(/C=N/N=C(c2ccccc2)c2ccccc2)c2ccccc21 3318369 FVQZVWRYUFAOPJ-MWAVMZGNSA-N 413.524 6.717 30 40 HKEB CC(C)CCOc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1 6245511 MAFXXUWCHLEVQR-ZMOGYAJESA-N 409.477 5.451 30 40 HKEB Clc1ccc(CO/N=C/c2ccc(Sc3ccccc3Cl)nc2)c(Cl)c1 8855313 CBNDURLZFGZKNC-BHGWPJFGSA-N 423.752 6.744 30 40 HKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 9264155 SXBIGKKJDZZEBM-AREMUKBSSA-N 408.501 5.816 30 40 HKEB Cc1ccc(-c2csc3ncn(/N=C/c4ccccc4Br)c(=O)c23)cc1 9562223 BVABKYGAYYJTAZ-AUEPDCJTSA-N 424.323 5.078 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl 12956277 GMDQGGNVHKMFDC-MPUCSWFWSA-N 406.096 5.831 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1 13800535 QDKRKYALBJMQRU-NDENLUEZSA-N 418.474 5.153 30 40 HKEB C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 13896045 DZNWOODGQJQADJ-UHFFFAOYSA-N 406.522 5.652 30 40 HKEB N#C[C@H](/C=N/Nc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 16385348 CLMFDPIDNNPWAK-BDEDQBALSA-N 416.095 5.476 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(OC)cc2)nc1-c1ccc(C)cc1 16753324 YSMBZNGKRMLQGI-LPYMAVHISA-N 410.499 5.142 30 40 HKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cccc5ccccc45)cc3)[C@H]2C1 59471679 NSRDOBGLWZDKTE-LHRLDTQZSA-N 400.525 7.417 30 40 HKEB CCOC(=O)c1cc(-c2cccc(/N=C/c3ccc([N+](=O)[O-])o3)c2)nc2ccccc12 100210446 ZDYRZKRGRVKIES-ZVHZXABRSA-N 415.405 5.330 30 40 HKEB CCCCCCCCOc1ccc(/C=C/C(=O)O)cc1OCCCCCCCC 101278257 AOJALARRAVAKIL-FBMGVBCBSA-N 404.591 7.263 30 40 HKEB COc1ccc(/N=C\c2ccc(/C=N\c3ccc(OC)cc3OC)cc2)c(OC)c1 104192155 JWJYYPHJGMMNGX-YXHOTNNGSA-N 404.466 5.222 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 219803988 RZPBCINRONKHKF-UHFFFAOYSA-N 402.519 5.147 30 40 HKEB C=CCOc1c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cccc1OC 408536491 ZUEMODIAIPZWDA-UYRXBGFRSA-N 411.548 5.283 30 40 HKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)c1 409009977 ATEUYEFKUMPBDT-NZBFAAGASA-N 406.482 5.936 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409212371 QPWSXNHGDKHEKV-DHRITJCHSA-N 424.884 6.203 30 40 HKEB CCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 2049167 OQCCXULSCSKBBR-UHFFFAOYSA-N 401.550 7.052 30 40 HKEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCCC 4066486 ODBHYQUSXJKAIX-QHCPKHFHSA-N 423.553 5.199 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc([C@@H](C)CC)cc2)CC1=O 4910278 FQOLFFWWMQNTQZ-PZJWPPBQSA-N 417.553 5.131 30 40 HKEB C=CCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 5638988 BMBONDGAUXXBCE-UHFFFAOYSA-N 409.338 5.102 30 40 HKEB N#Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 5671925 LKLDSTUBMCRIKL-UHFFFAOYSA-N 409.367 5.082 30 40 HKEB COc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)cc(C)c2C#N)cs1 8747236 KTTQGTGXEFEDQD-UHFFFAOYSA-N 424.551 5.012 30 40 HKEB N#Cc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 9306837 PXBYYBHHEBUEST-UHFFFAOYSA-N 401.438 5.865 30 40 HKEB ClC(/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 12467809 FJAHAMZVQINZKB-SZZBNFCASA-N 413.952 5.640 30 40 HKEB C=CCSc1nc(Sc2ccccc2C(=O)OC)c2sc3ccccc3c2n1 12951187 WCOYMBUVRPTTGB-UHFFFAOYSA-N 424.572 6.060 30 40 HKEB O=C(N[C@@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16952564 AKQQYZOQDLATEW-ORBAKXMTSA-N 417.723 6.195 30 40 HKEB CCSc1nnc(C)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611356 BORMCTAEYCVQBB-AWQFTUOYSA-N 411.314 5.060 30 40 HKEB C=CCCCCCCCCCOc1cc(C(=O)O)ccc1OCCCCCCCC 59608556 DOFYZOAEWQRJSK-UHFFFAOYSA-N 418.618 7.810 30 40 HKEB CCCCCCCc1cnc(-c2ccc(-c3ccc(OCCCCC)cc3)cc2)nc1 100042199 DFXJGRXRHRVQAT-UHFFFAOYSA-N 416.609 7.893 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 104220480 AXZFIFAFQZAUAT-MUXKCCDJSA-N 416.307 7.909 30 40 HKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)CO5 253498531 FMUVPGOCTWGNEY-AMPPTFMPSA-N 402.619 6.004 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(OCC)cc1 408560739 OHWZEHIEURWUCE-UHFFFAOYSA-N 416.591 5.107 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408661925 MDSSWTVTFUXYMR-MHWRWJLKSA-N 424.496 6.332 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408769444 VCSLLOSRRPJJDH-WGOQTCKBSA-N 408.929 6.455 30 40 HKEB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408882095 PQBVPWFIXSVLEP-RDTAYAABSA-N 415.446 5.264 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1ccccc1 408906237 BDVBYOSIXNLCEY-LBMUFILHSA-N 424.566 5.744 30 40 HKEB CC/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)N1CC 408929140 HNNVSVWABGXUSP-UQRBVYKBSA-N 403.551 5.310 30 40 HKEB O=C1CCCC2=C1C(c1cccc(OCc3ccc(F)cc3)c1)C1=C(CCCC1=O)O2 409068670 SLOTWCRKEKDOFP-UHFFFAOYSA-N 418.464 5.533 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@@H](O)C(C)(C)O 584569302 FCKJYANJHNLEEP-HZOFMLOLSA-N 416.646 5.705 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1ccco1 2418643 RLSVBOVGMUVKTC-IWIPYMOSSA-N 408.409 5.782 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1cccs1 2479545 XEKDBFPFXGYIAS-UHFFFAOYSA-N 412.539 6.324 30 40 HKEB CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 3049346 GHMBABAJTLMUJP-HXUWFJFHSA-N 410.970 6.119 30 40 HKEB N#C[C@@H]1C(c2ccc3ccccc3n2)=CN(CC(=O)c2ccccc2)c2ccccc21 3073676 BLQLPHCTLCYWCB-QFIPXVFZSA-N 401.469 5.586 30 40 HKEB C(=N/c1ccc(-c2nc3ccccc3s2)cc1)\c1ccc(OCc2ccccc2)cc1 3080530 WTORQFUQVXROHJ-MTDXEUNCSA-N 420.537 7.293 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1Br 3114153 NYDNEAMQKSIRLV-CGOBSMCZSA-N 407.522 6.482 30 40 HKEB COc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1 4264110 HNJBRDTZPMCWFO-CYVLTUHYSA-N 415.445 5.277 30 40 HKEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 4785578 XIJPGMWAXSHAFE-NSTHGIQOSA-N 408.951 5.047 30 40 HKEB CC1(C)C[C@@H]2C[C@@](C)(CN2/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 5072253 AWSVALBOQMCMAS-SNKJELKMSA-N 423.560 7.046 30 40 HKEB CCCCCOc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 5464112 VYMZNYWITSPECT-VFCFBJKWSA-N 409.533 6.859 30 40 HKEB O=C(C/C=N/OCc1c(Cl)cccc1Cl)c1cnc(-c2ccccc2)s1 5516914 KNPLWQIDOMNDFF-AUEPDCJTSA-N 405.306 5.892 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)cc1Cl 5530165 UPKBROQSUPPQBU-AFUMVMLFSA-N 401.853 6.567 30 40 HKEB COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 5540803 AVRLGHHVAPJSTH-AGIZDPOVSA-N 419.908 6.022 30 40 HKEB CC/C(=N\OC(=O)Nc1ccccc1)c1ccc(OC(=O)Nc2ccccc2)cc1 5663231 RTINPUWXEJFIAL-YYADALCUSA-N 403.438 5.660 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 12543245 VIWVTISVJLJHJP-UHFFFAOYSA-N 413.546 5.952 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2)C3=O)cc1 12861090 BCZXILDYEOZUNU-QFEZKATASA-N 414.457 5.542 30 40 HKEB biogenic C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 17093373 YWGURXNUCTVTGA-ZHZWZMEUSA-N 422.937 6.310 30 40 HKEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1OCCC(C)C 20797166 DOMWUDZDRMCXKM-XMMPIXPASA-N 419.525 5.348 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1 123196198 JNNJOMNLPDCYKP-GCDYMZLTSA-N 406.610 6.289 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N/c1ccccc1 223470765 HFYZNHSQJURUOB-MKIITAJQSA-N 417.578 5.942 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 408533167 XJVJYMZWVRDIND-STZFKDTASA-N 420.921 5.811 30 40 HKEB C=CCn1c(C)c(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408785402 ZCDFJFVBMYORAE-FCKOQQNDSA-N 403.551 5.298 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409097450 IKVWTVMNOKKHPW-MLPAPPSSSA-N 412.194 5.517 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 409208545 GRHKHXAOGUTBSX-MFKUBSTISA-N 408.339 6.650 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409215793 FIXPUWSIPDZTFU-PCLIKHOPSA-N 423.534 5.529 30 40 HKEB CC[C@@H](C)n1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 409227115 OXDHJBVVSMHXKO-OBVNLEMZSA-N 421.541 6.375 30 40 HKEB CCCCCCCCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 1755307 BOLARCSIPJLZPX-UHFFFAOYSA-N 415.581 7.258 30 40 HKEB Clc1ccc2nc(N/N=C/c3ccc4c(c3)OCCO4)nc(-c3ccccc3)c2c1 4069934 IUVZISYPMGSVEE-AFUMVMLFSA-N 416.868 5.167 30 40 HKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/Cc1ccco1)N(C1CCC(C)CC1)C3 4969529 PPAOTFBYMNDLRL-OCEACIFDSA-N 419.594 6.487 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 5336621 AHSAQRLLZMVWMN-APTTYYGTSA-N 408.611 5.321 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N\NC(=S)Nc2ccccc2)c1O 5615764 JGTJKFGCJPSLTI-FRODBLILSA-N 405.483 5.137 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCC2 6240601 FTPAVVBTPBULFK-UHFFFAOYSA-N 403.290 5.928 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1F 6500632 WZFLELFHHFQNCK-GOSISDBHSA-N 413.279 6.349 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 8372966 GYBBRZJMAGJRFY-DHRITJCHSA-N 400.305 6.640 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 10118943 TWSOWSGWBYVJHT-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 12546608 SVVSVIALMYRFAK-PCLIKHOPSA-N 411.465 5.085 30 40 HKEB c1ccc(/N=C2\SCCN2Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 71195290 KROSOGXKCRTNSU-QPLCGJKRSA-N 410.546 5.776 30 40 HKEB CCCCCCCCCCCCCCCCSc1nc(N)nc(SC)c1C#N 97940197 UIQGLXJLLCLDRQ-UHFFFAOYSA-N 422.708 7.226 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(Cl)c1 100829206 QGRBZAFZOYKYHK-DAFNUICNSA-N 412.002 6.929 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1OC 109596493 FSOTVOBFJAZVFD-MBGJJKHHSA-N 418.603 5.747 30 40 HKEB CC(C)N1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@H](C)CC1(C)C 260573518 YXYIJIXCVVIHGF-QZCBGFPPSA-N 405.586 5.774 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 408527730 BNLRSAGZTXXUHW-STZFKDTASA-N 420.921 5.811 30 40 HKEB Cc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Br 408850058 FBBJTEKZKPPMOT-OMCISZLKSA-N 421.914 5.626 30 40 HKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408934689 BOHDZTULUFKLGE-QUPGQFOSSA-N 408.545 6.971 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409203615 ZIDKQWYKFSJUBK-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 409209984 KEBRGIGJZCMOGY-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CC(C)Oc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409285425 NRBMWHWCZNPULB-UHFFFAOYSA-N 423.944 5.767 30 40 HKEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccc(Cl)cc2Cl)c1C#N 872021 FZZUNHHTROEYKZ-UHFFFAOYSA-N 422.337 5.113 30 40 HKEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccccc1Cl 2202721 BFHIIMRCUDOZGE-UHFFFAOYSA-N 418.678 5.153 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCc3ccccc3)nc12 2257342 SLXOUDYIDURNJP-MFKUBSTISA-N 402.885 5.019 30 40 HKEB CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 4973620 FCEOJGNHUSQXCN-NIYFSFCBSA-N 411.505 5.460 30 40 HKEB Cc1ccc2c(c1)N[C@H](c1cccc(OC(F)(F)F)c1)C1=C(CC(C)(C)CC1=O)N2 5218493 ACSRVHAVKFOLGX-OAQYLSRUSA-N 416.443 6.116 30 40 HKEB Fc1ccccc1COc1cccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c1 6926923 QTJWXVKUBRYCHS-OXUBWTJQSA-N 410.317 5.546 30 40 HKEB COc1cc(OC)cc(C(=O)/C(=C\C=C\c2ccco2)c2nc3ccccc3o2)c1 8992194 MYJNPFDORBVWSP-WTYNHFEKSA-N 401.418 5.418 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 10118946 KBUDGTOALDXGOD-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB CCCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 18180233 ZNUZBVIMLQUXBZ-HSZRJFAPSA-N 411.545 5.967 30 40 HKEB O=[N+]([O-])c1ccc(COc2cccc(/C=N\Nc3nc4ccccc4s3)c2)cc1 33395799 AZMVQNKOQXORDV-XKZIYDEJSA-N 404.451 5.230 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 98001275 ATCVOUHOYSWSCR-UHFFFAOYSA-N 400.485 5.681 30 40 HKEB CCCCCCCCC(=O)OCCNC(=O)[C@@H](C)OC(=O)CCCCCCCC 100297811 GIBWHSWUGMFLGQ-HXUWFJFHSA-N 413.599 5.079 30 40 HKEB CC(C)(C)c1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(C(C)(C)C)c1O 108109355 BCZBBFAKFUJDKM-NHMSSAOCSA-N 414.596 5.862 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)o1 135796224 OIMQKIYLRQKJPO-UHFFFAOYSA-N 418.331 5.015 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)cc1 408769413 TZYIRLBXKQNTDY-AFUMVMLFSA-N 404.466 5.028 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 409216593 JRRQZNFGUDPYKW-VULFUBBASA-N 414.332 7.030 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)Nc1ccccc1N2 1076946 UZEZRWTXYALUAT-DNOBIOAJSA-N 422.553 6.881 30 40 HKEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4135158 JWUXGJXBCUJQMK-KOEQRZSOSA-N 401.322 6.019 30 40 HKEB Cc1ccc([C@]2(CC(=O)OCCC[C@@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 4814908 IBFLPBRJAUJAIW-HOFKKMOUSA-N 419.565 5.843 30 40 HKEB O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccccc1Cl 5658765 AJCMDVCRDLFJSJ-UHFFFAOYSA-O 417.941 5.832 30 40 HKEB CC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C1CCC(C(C)(C)C)CC1 6392586 ONPBKXCYRZWVCF-UXKGWEFQSA-N 415.603 5.595 30 40 HKEB CCc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 6555757 KUSVYJWAOKZKBF-BQYQJAHWSA-N 407.149 6.746 30 40 HKEB FC(F)(F)c1ccccc1N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 6885630 CCSUPTRSEONIKT-JFLMPSFJSA-N 406.411 6.004 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)cc1 8654678 CFSCEJGEQFNMTH-INIZCTEOSA-N 415.449 5.567 30 40 HKEB O=C1/C(=C\c2ccccc2)CN(C(=O)/C=C\c2ccccc2)C/C1=C\c1ccccc1 17198616 VWRVRYWIRXZQDO-YJBMQTMOSA-N 405.497 5.278 30 40 HKEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 20649156 NEPZRGCKQFLNGT-AFUMVMLFSA-N 424.500 5.132 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 27644973 OYLOYUKNSMPYKK-PZUCIDFCSA-N 400.459 5.224 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984332 ZCSBITYWABAXTD-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB COc1cc(/C=N/c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 59500678 VSNVKLBMTMXOLQ-AFUMVMLFSA-N 421.905 6.533 30 40 HKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1 65532248 DSQQKMMDIXQMNZ-BUHFOSPRSA-N 405.457 5.276 30 40 HKEB CCCCCCCCCCCCc1ccccc1NC(=O)Nc1ccc(Cl)cc1 100304173 INULTMKPDCOOKB-UHFFFAOYSA-N 415.021 8.447 30 40 HKEB CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)NC1=O 104145915 POUORNAHUUKXTL-RUZDIDTESA-N 400.607 6.593 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@@]21C 118925265 PFDDSGLPIFLJTA-VSNVJAOYSA-N 412.658 7.649 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC 408531806 RIHVSBHNHDGFRJ-UYRXBGFRSA-N 414.914 5.195 30 40 HKEB CCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccccc1 408913877 UVXIHPNUVAEDME-FTJNEJEMSA-N 402.519 5.862 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)S2)cc1 408953432 PNJNKAYQIWLAHU-CJLVFECKSA-N 416.502 5.769 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3cccc(Cl)c3Cl)o2)c(Br)c1 409245361 ROORNVBFGXHRMX-YVNNLAQVSA-N 409.110 7.075 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc12 729440 SZHDJIIWZSYFIW-LIAVLPADSA-N 412.489 5.071 30 40 HKEB CCCCCCCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2226106 TXKCAQMCJBXPKA-UHFFFAOYSA-N 418.632 5.815 30 40 HKEB Brc1cccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 2893066 JUVRSLYUJZPJJL-GHRZAKMRSA-N 403.279 6.673 30 40 HKEB C=C(C)[C@@H](CC=C(C)C)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O 5480772 JUKXEUCJMRWMTL-FYSMJZIKSA-N 408.494 5.601 30 40 HKEB biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 6500032 LGWMHNQKTCVZTP-ADHBLVKBSA-N 421.537 5.481 30 40 HKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6782329 PTAYNLUNAMAYEV-QFIPXVFZSA-N 401.462 5.182 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1 8722234 NOLMKTRDLKFAKX-GRUKXCDCSA-N 420.490 5.101 30 40 HKEB Clc1ccc(CN/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 10118896 NPRVYEJIXKHLBT-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB O=C1/C(=C\c2ccccc2)CN(C(=O)/C=C/c2ccccc2)C/C1=C\c1ccccc1 17198618 VWRVRYWIRXZQDO-PLBLCFTRSA-N 405.497 5.278 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 35311701 YETUGYNRCYNUJL-UHFFFAOYSA-N 409.514 5.813 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 198147144 GNEKAFNMIVDGHP-MTDXEUNCSA-N 412.533 6.870 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3ccccc3)c2C)ccc1I 408737862 INVXECJIZMPXLQ-LPYMAVHISA-N 414.290 5.758 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cccc1OC 408911502 JVGAICUSMFQADC-LPCFMYKTSA-N 422.550 5.581 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl 408955602 XVGUFHLYUWGMAE-OMCISZLKSA-N 424.463 5.359 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 409084962 YAKQWQDFMUEBLH-XMFNYGHISA-N 416.930 5.458 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1C 409216254 GOOMXRYVHVTJOZ-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1noc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)c1C 643570907 XUJKKHJCGNPTAM-UHFFFAOYSA-N 406.486 5.099 30 40 HKEB C[N+](C)(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 1761747 UQUQQBACJJPKGC-UHFFFAOYSA-O 407.148 5.515 30 40 HKEB C=CCn1c(C)c(/C=C2\S/C(=N\c3ccc(Cl)cc3C)NC2=O)c2ccccc21 2076565 JQLVUHNHASXSBL-BKUYFWCQSA-N 421.953 5.989 30 40 HKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3o2)cc1 3102920 ZEHMBQWXLBJFMM-AFUMVMLFSA-N 415.449 6.157 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)c1 5003572 JAWHGQOABZHCNB-WPWMEQJKSA-N 406.441 6.631 30 40 HKEB Cc1ccc(NC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1 5553042 DLWGMWJXOLXALN-UHFFFAOYSA-N 414.530 5.240 30 40 HKEB Clc1cccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)c1 8811997 GXYLQASNWLETPR-MZJWZYIUSA-N 408.332 6.120 30 40 HKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 12131372 SLTGOXPLBCWJFS-LSFURLLWSA-N 422.337 5.792 30 40 HKEB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCc3ccc(C#N)cc3)cc12 12638438 WZXTUQBWVRWXGN-UHFFFAOYSA-N 421.909 5.337 30 40 HKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 14360054 JCFMOKCPFVISMH-NMWGTECJSA-N 407.366 5.446 30 40 HKEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 20647302 JBLNNWJGMYMLNV-CCSWUNFSSA-N 418.320 5.547 30 40 HKEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 67258520 UVSTZLGTBIVTPJ-UHFFFAOYSA-N 417.921 5.262 30 40 HKEB CCCOc1ccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)cc1 72228702 ATMLFLWVAJJZRI-UHFFFAOYSA-N 410.543 5.762 30 40 HKEB CCCC(NCCc1c(C)[nH]c2ccccc12)=C1C(=O)CC(c2ccccc2)CC1=O 100146918 HVFALGDWQHVQTM-UHFFFAOYSA-N 414.549 5.378 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1O 101514444 MLPOEUHNBFYCTM-LPCFMYKTSA-N 416.502 5.205 30 40 HKEB O=C1C(F)=C(Oc2c(F)c(F)c(F)c(F)c2F)C(F)=C(F)[C@@]1(F)c1ccccc1 102038922 VMDOAGVHQZDDSM-SFHVURJKSA-N 424.218 5.540 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 104324812 FMYMVDOGOMAERA-UHFFFAOYSA-N 419.650 8.004 30 40 HKEB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 137792585 SAEBHVLGDXCQPX-VULFUBBASA-N 408.929 6.494 30 40 HKEB CCOc1cc([C@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731873 QHTRAZTUUPWSQF-HSZRJFAPSA-N 424.566 5.233 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 408796292 ABAQRSCWVGSBDH-QVMKDISWSA-N 422.912 5.355 30 40 HKEB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N\Nc2ccccc2)c1Cl 408816858 UUHSBNQHEFNMRC-FMCGGJTJSA-N 418.280 5.953 30 40 HKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)o1 408820702 ZINYDHVTOJXBIQ-FRJDLFPQSA-N 417.534 5.934 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 408863020 KKBYKYQORVPMFM-BKUYFWCQSA-N 404.491 5.057 30 40 HKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(Cl)c1 408935040 CBVHTXLZTKDGSK-LZYBPNLTSA-N 406.265 5.287 30 40 HKEB CCCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 409019850 YMLRXZOIELFQKE-ONUIUJJFSA-N 418.562 6.419 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2)S/C1=N/c1ccc(OC)cc1 409246738 AUUYQHRLNWBIBA-XAFFKLEKSA-N 417.534 5.418 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccccc1F 409295382 OISTYMLEKOAWIL-UHFFFAOYSA-N 414.484 5.256 30 40 HKEB N#Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)sc2c1CCC2 815151 YPNKKZNKMMCAJG-UHFFFAOYSA-N 404.278 5.323 30 40 HKEB C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(C)cc3)c2c1=O 1801665 UBDQFARXRXPHHD-UHFFFAOYSA-N 423.563 5.517 30 40 HKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 2080210 GUTVXBXTNRHXDZ-UHFFFAOYSA-N 402.947 5.648 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3O)nc2c1 3032261 BIZFDLKQSRECEO-FOKLQQMPSA-N 403.394 5.182 30 40 HKEB Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3165557 HOXNBDFGMQBRMK-UHFFFAOYSA-N 422.484 6.120 30 40 HKEB COCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccccc1 4696358 MYQFHHNIXXSSRO-FTJNEJEMSA-N 418.518 5.099 30 40 HKEB N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccco2)nc1SCC(=O)O 5555818 ASKBHUFUOGRUFG-UHFFFAOYSA-N 404.369 5.076 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 6962405 WRXBGDCXXAPDPZ-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(N4CCCCC4)cc3)c12 8394138 QSRUDKFFOMHRQS-DTQAZKPQSA-N 424.548 5.670 30 40 HKEB C[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 9379850 JUTYACOWFIRTEB-PIAOKATPSA-N 423.541 5.847 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccc(Cl)cc1 16805540 BRXWHUGIPMUBHO-UHFFFAOYSA-N 422.834 6.724 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c(Cl)c1 19418932 LHEUSUQQZJOOFI-UHFFFAOYSA-N 418.364 5.967 30 40 HKEB Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59249533 FXZITQWPZKSSRW-UFFVCSGVSA-N 410.695 6.736 30 40 HKEB N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[C@H]1c1nccs1 136091360 YNMNKRNIFZMLLF-IPYHJMHHSA-N 421.330 6.128 30 40 HKEB O=C(/C=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 408619799 HNOIWXYXMHUPLR-ACCUITESSA-N 406.312 6.893 30 40 HKEB Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)c1 408908018 AJMYCMNPPYGRMH-UHFFFAOYSA-N 420.468 5.051 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 408946119 XZFWWHQJLBCCQN-REAXAJHASA-N 422.572 7.361 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(C)cc1 409110093 RDRPXERNNOJLSA-UHFFFAOYSA-N 415.577 6.930 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OCC 409121258 UEXSDNCYODBJJK-UNOMPAQXSA-N 411.929 5.847 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1I 409239132 GMURJYGQPTZPAB-STZFKDTASA-N 420.294 5.041 30 40 HKEB C=CCOc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409303252 HRLOHXNTSATQDZ-UHFFFAOYSA-N 421.456 5.257 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)[C@@]2(CCOC(C)(C)C2)N1c1ccccc1 1746948 DUBATHXYPAWDAJ-OQICMLARSA-N 407.583 5.900 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 2447542 OZVDAVSXDZXMBW-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc(Cl)cc1Cl 4235622 RCCQAWFZFYDDSB-QFIPXVFZSA-N 422.355 7.347 30 40 HKEB biogenic Clc1ccccc1COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 5589420 WATJORMIOBDMJE-YZSQISJMSA-N 406.913 5.506 30 40 HKEB COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1C1CCCCC1 6608310 NLPYHLGGFAOIHE-FQEVSTJZSA-N 418.566 5.686 30 40 HKEB C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nc2ccccc2c1=O 7062931 SBCLNDGZUDNDJT-UHFFFAOYSA-N 405.548 5.307 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 8412203 QBKKCDCUXIKCCX-UHFFFAOYSA-N 418.521 6.166 30 40 HKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 13629763 ITVYNTDIBMJVGM-TXTIWSOFSA-N 402.833 5.575 30 40 HKEB CCOc1cc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)ccc1O 19832542 HRLXRVHPTIANBF-UHFFFAOYSA-N 400.265 5.281 30 40 HKEB CN1CCc2nc(SC/C=C/c3ccccc3)c(C#N)c(-c3ccsc3)c2C1 20813589 VZMXCPCRVUZALG-VMPITWQZSA-N 403.576 5.475 30 40 HKEB CCc1ccc(NC(=S)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 35310900 CKUQRCXKVWXETJ-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB C=CCc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OC)c1OCC(=O)O 59249107 NECZMJZDGATJEF-WGOQTCKBSA-N 416.477 5.381 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c3ccccc32)o1 408543958 UBCDQRQIBJAGIN-VROXFSQNSA-N 422.824 5.083 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 408586218 LZGNZOREFNHMOV-UHFFFAOYSA-N 418.375 6.749 30 40 HKEB COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC4(CCCCC4)CC3=O)c2c1 408780176 UQAJVTNXOHSXNK-UHFFFAOYSA-N 413.517 6.109 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408961567 NGXHFZPCDOEVFY-MFKUBSTISA-N 405.450 5.661 30 40 HKEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409384909 FZNILMQYPVCORR-DHRITJCHSA-N 420.534 5.686 30 40 HKEB COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)cc1 998611 VVPZLHUHJRNDAE-UHFFFAOYSA-N 413.502 5.713 30 40 HKEB N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1ccccc1 3245136 UMTOPBZOJINZIK-UHFFFAOYSA-N 407.477 5.460 30 40 HKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc4cccnc4c3)c(-c3ccccc3)c2c1 4058932 BBWFOZCNDLIVLM-NTCAYCPXSA-N 414.508 6.963 30 40 HKEB C[C@]12CC[C@@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 4104914 CZNBRGKOCBBHEM-LHKDSFIJSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O 8944299 SHGFSTXSTDYOHF-CQSZACIVSA-N 424.551 5.164 30 40 HKEB COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1 12858522 WTOAUBFDSSZCRX-CFRMEGHHSA-N 414.457 5.285 30 40 HKEB biogenic Cc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2/N=C/c2ccncc2)cc1C 16035739 ZYAUBOQYMDDMRC-YHMUTHJVSA-N 402.498 5.482 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCCC1 33027202 OGGFPLQRCLOTQP-UHFFFAOYSA-N 413.477 5.919 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(CCCC)cc3)C2=O)cc1 35040845 KYXHIRFZFLMUJJ-LTGZKZEYSA-N 409.576 6.000 30 40 HKEB C=CCOc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100059842 OXHUQUMKFKHFCT-JOCHJYFZSA-N 424.537 5.111 30 40 HKEB O=C1c2ccccc2CN(c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 104222877 YJBLQNYRMUNLNT-DQSJHHFOSA-N 403.485 6.041 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408906720 DJFHEHAOZOKKRL-QMSJJHEMSA-N 424.566 5.723 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl 409016411 CKOFUQNWONFURS-VCRXTVNUSA-N 400.931 5.717 30 40 HKEB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1C#N 409112930 MLQNEJFINYLZSN-GRSHGNNSSA-N 416.864 5.292 30 40 HKEB C=CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409294006 MWDAXKYHPFUGTA-UHFFFAOYSA-N 421.456 5.257 30 40 HKEB Cc1cc(N2CCCCC2)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404722 LVROGHARPLWJLA-UHFFFAOYSA-N 422.532 5.244 30 40 HKEB C[C@@H](CCC[C@@H](C)C(=O)O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1529050380 PSXQJZDFWDKBIP-NHIQSVJLSA-N 414.630 6.662 30 40 HKEB CN(C)c1ccc(C(=NSc2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)cc1 1816131 SDUBYOJGSVJFCN-UHFFFAOYSA-N 420.538 5.272 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 2447751 PSWIXOZLCQTYRB-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB CCc1c(C#N)c(SCCC(=O)Nc2ccc(C)cc2)nc2c1C(=O)CC(C)(C)C2 2889153 QWRCDVRBYSQHBD-UHFFFAOYSA-N 421.566 5.100 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 3102919 XXLDNPXURAILFF-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB Cc1cccc2oc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3O)nc12 3114145 GLXDSJCYHOAOSB-FSJBWODESA-N 407.267 6.022 30 40 HKEB C[C@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 5137489 RNZTWXQRUKLPNK-OWAQKBPCSA-N 404.489 5.027 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1OC 5603906 KXHWKTMXBQOBRL-FYWRMAATSA-N 410.473 5.453 30 40 HKEB COc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)cc1 8451009 YJRDRVKMUIGSBY-UHFFFAOYSA-N 417.412 5.204 30 40 HKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C1=O)cn2C 9423825 DKUCVYZEOWIGMR-SRZZPIQSSA-N 419.477 5.063 30 40 HKEB O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C2CCCCC2)cc1 11690109 LEIKTCMMTAFVIF-JQIJEIRASA-N 413.542 7.500 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 12349941 KTMQQZJAFFZPNS-XMHCIUCPSA-N 423.559 5.785 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(Cl)c1 14922518 PZLZJXGGIPVXFL-DHRITJCHSA-N 424.356 7.230 30 40 HKEB c1ccc(CC/C(=N/N=C(\CCc2ccccc2)c2ccccc2)c2ccccc2)cc1 16924568 AROHHHHPQBMXPI-SNQKRLHOSA-N 416.568 7.146 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200050 BJWGQPGUUJVREB-WNSKOXEYSA-N 418.518 5.119 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463667 BQVIBEDKXDNKMH-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB Brc1cccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 59483128 AXGKLKXGZUWFKB-BUVRLJJBSA-N 402.295 6.052 30 40 HKEB CN(C)c1ccc(/N=C2\C/C(=N\c3ccc(N(C)C)cc3)c3ccccc3C2=O)cc1 104135248 PSDGZRPAKLWCRC-KNCIMYNLSA-N 410.521 5.299 30 40 HKEB O=C1/C(=C\c2c(F)cccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906686 DCSWRKAQKXVGHS-RVOSABIYSA-N 422.912 6.283 30 40 HKEB C(=N/Nc1nc2ccccc2[nH]1)\c1cn(Cc2cccc3ccccc23)c2ccccc12 409178470 IMEGYSJUOJAYMG-LQKURTRISA-N 415.500 6.165 30 40 HKEB CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 409210255 IWZRSUFQUHFRLI-AXNZHVIBSA-N 424.610 6.709 30 40 HKEB CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409211906 PCCJKIMWSAUHEE-VULFUBBASA-N 414.383 6.719 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)c1O 3102981 MUIUCZIUOCDKEU-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB N#Cc1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3341659 LRMDLDCWFJYJEM-UHFFFAOYSA-N 403.894 6.164 30 40 HKEB COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccc(C(C)(C)C)cc1 4422819 BPOCBFYFQZQEEN-CVKSISIWSA-N 418.541 5.425 30 40 HKEB C=C(C)C[C@@H]1CC=C[C@@H](CC(=C)C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 4951278 DGSKIQFMHNWEFR-KKUMJFAQSA-N 403.382 5.112 30 40 HKEB Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@H](c5ccccc5)C4)cc3)sc2c1 5244499 CSIUBUVBSXZAEG-HXUWFJFHSA-N 410.542 6.714 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 5738735 WHXYRHUKHGMFFF-LIQAOFCOSA-N 401.535 5.474 30 40 HKEB C=CCS[C@@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 8738977 DDROSLFGVQSSRC-RUZDIDTESA-N 416.590 5.349 30 40 HKEB O=[N+]([O-])c1ccccc1OCc1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9196645 NURLGXMPCRHAGI-LSHDLFTRSA-N 420.252 5.197 30 40 HKEB Clc1ccc(OCc2ccccc2)c(/C=N/NCc2c(Cl)cccc2Cl)c1 9196817 UXWWTILCUCBXHF-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB Cc1ccc(COc2ccc(/C=C3/C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 59483087 KNTWWUHDZDANNP-HYARGMPZSA-N 403.865 5.572 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COCc1ccccc1 72400266 KTMANQJLYZAYIP-RUZDIDTESA-N 420.634 6.589 30 40 HKEB in-vitro C=CCn1c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 79058343 AZDJWGDVXMLSII-UHFFFAOYSA-N 412.902 5.633 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2C)NC1=O 83292144 ALAIFWZLYXPHSX-HYARGMPZSA-N 402.519 5.747 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccc(C)cc4)oc3c2)c1O 102417462 QFVWFSHTIUEMRY-FSJBWODESA-N 403.394 5.176 30 40 HKEB CCCCCCCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 102561726 LDZLXDOCCDYBNE-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB O=C(N[C@H](c1ccccc1)[C@@H](/N=C\c1ccccc1)c1ccccc1)c1ccccc1 104154655 RYDILFMFMIUVNX-DMHWPSFNSA-N 404.513 6.018 30 40 HKEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612182 WDOQOUKACSRCQD-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 408545457 YXQZVAQXPJJPJU-VAWYXSNFSA-N 406.438 5.378 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 408759864 NBVLIMJVZHSLMX-HAHDFKILSA-N 415.562 5.857 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1cc(C)ccc1C 408905863 FVRFXMNCJWEVQX-QMSJJHEMSA-N 408.567 5.962 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 408964318 GBMJAPOARVKTKR-MDWZMJQESA-N 417.239 5.904 30 40 HKEB CCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C(=O)O)cc1 409074557 VIXVLXBZPGFXDA-PGBYLALNSA-N 424.522 5.044 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1Cl 409085944 XPRCNAQCKYVJEN-ZMFRSBBQSA-N 400.349 6.917 30 40 HKEB Cc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)s1 409302468 DZPLRCNEZDOGBZ-UHFFFAOYSA-N 419.893 5.715 30 40 HKEB N#Cc1ccccc1CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 647146 XXVSQIIBLIWNIK-UHFFFAOYSA-N 401.438 5.865 30 40 HKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)NC3=O)c2C)c1 2189474 RJDHQSAWGFQPLZ-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccs1 2391608 DKSLHBLVBLMMFT-UHFFFAOYSA-N 418.975 5.194 30 40 HKEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1cccc(Cl)c1 4107811 GKSPWOROWDNZRY-RVHOYEEFSA-N 422.362 5.597 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 8935017 IJIUVMPJBJXFMX-WYMPLXKRSA-N 421.384 5.397 30 40 HKEB C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1-c1ccoc1C 12916410 VPTHCJYEGBQEBQ-HXUWFJFHSA-N 424.570 5.028 30 40 HKEB CCOc1ccc(OCC)c(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 15598136 NGTMVVXZKIMYNU-JLHYYAGUSA-N 403.482 5.004 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 17093824 SDUOSXUHTDIXAL-VIFPVBQESA-N 424.378 5.178 30 40 HKEB CC(=C\c1ccccc1)/C=C1/S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O 27533702 IXPCPCNUBMTCOP-GRALHKOYSA-N 422.859 6.197 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)c1 33027138 HOJUHOIIRHKXCE-IAGOWNOFSA-N 405.498 5.484 30 40 HKEB O=C(CO/N=C\c1ccc(OCc2cccc(F)c2)cc1)Nc1ccc(Cl)cc1 33405578 ZPOQRIYKBUHAPH-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB CCCCCCCCOC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC 72400226 FIBARIGPBPUBHC-RPBOFIJWSA-N 410.683 8.139 30 40 HKEB in-vitro COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 101315276 BPBWXYUJJPCQEA-GNOCETLISA-N 404.510 5.041 30 40 HKEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1C 101650642 OHFWKIFTJRVQJF-BBJJLJPOSA-N 409.555 5.017 30 40 HKEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 102596261 AYZRNULSKILFQY-GHNGSUTGSA-N 404.293 5.215 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1 102876514 QONZNSORGVXTEL-NHFXJNLRSA-N 418.518 5.201 30 40 HKEB C/C(=C/c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H](O)[C@H](C)[C@H]1c1ccccc1 104195341 VFUSIMKKWNMEOO-JRKPZBFPSA-N 410.557 6.244 30 40 HKEB CC1=Nc2cc3ccccc3cc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O 104200853 LJVKRIPRGDEUOT-BKUYFWCQSA-N 412.876 5.838 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc21 408861666 FHRZJEBNAHCETH-BKUYFWCQSA-N 421.953 5.989 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 408939509 STCYRRRJCWRQAG-YDUMZBCTSA-N 403.529 7.053 30 40 HKEB Cc1ccc(-n2cccc2/C=N\c2cccc(I)c2)cc1Cl 409011495 NNZOWFDIJHQNBO-MTJSOVHGSA-N 420.681 5.794 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 409080778 MUVJSPYTHPQZBD-MOSHPQCFSA-N 424.283 5.917 30 40 HKEB Cc1cc(O)c(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1Cl 3211776 MKVDYQVZTZXWJB-LGJNPRDNSA-N 403.865 6.186 30 40 HKEB CCc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4065975 RTUMXASYTRKGEX-DEOSSOPVSA-N 421.581 5.729 30 40 HKEB C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc(Br)cc1 5003831 RCCKLLUIXSBSFC-SSDVNMTOSA-N 401.333 5.169 30 40 HKEB C=CCn1c(C)cc(C(=O)/C(=C(/S)Nc2cc(C)cc(C)c2)[n+]2ccccc2)c1C 6566112 IHXINFICTCPRQS-UHFFFAOYSA-O 418.586 5.246 30 40 HKEB CCCCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 8440674 SLAKPYLIYJYFKL-UHFFFAOYSA-N 411.564 5.489 30 40 HKEB CC(C)(C)C1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 12660306 OFJFTPGESUQDSD-OMYAATJGSA-N 420.465 5.995 30 40 HKEB Cc1ccc(C2=NOC(=O)/C2=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 100136304 RZZUEOKHZNCNBD-KGENOOAVSA-N 403.865 5.572 30 40 HKEB CC[C@H](C)c1ccc2c(c1)N/C(=C/C(=O)c1ccc(C3CCCCC3)cc1)C(=O)O2 101355916 SEFGXHKZOBDJIZ-CSUZIONRSA-N 403.522 6.346 30 40 HKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226334548 PNORWMUIPIDELI-UXBLZVDNSA-N 407.691 5.424 30 40 HKEB Cc1cc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1Br 408856287 JTRFHRYRKVCBIX-ZMOGYAJESA-N 424.294 5.785 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408949908 SQXMRWWWWSSSSQ-CVKSISIWSA-N 408.929 6.539 30 40 HKEB COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c(C)c1 409022598 CEGQDYBGXAWKHA-WSDLNYQXSA-N 401.940 6.398 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 409065039 KOHBYFMXBUPILC-UVHMKAGCSA-N 415.415 5.524 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 409203878 YRCDPLOMVYSYII-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1cc(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1C(C)C 409403694 IYUVXOJTRGYNMY-UHFFFAOYSA-N 411.505 5.386 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccccc1Cl 1080870 CEBOPLCQQGWGBJ-OAHLLOKOSA-N 415.867 5.782 30 40 HKEB COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1OCCCC#N 2144433 YOQGRTLMSXKKJZ-UHFFFAOYSA-N 412.445 5.444 30 40 HKEB O=C(/C=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)c(Cl)c1 4114069 SEXLPVQYJXAECC-BJMVGYQFSA-N 403.286 6.170 30 40 HKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1 4944865 IUHJQEMGYXVBAK-QGZVFWFLSA-N 423.484 5.007 30 40 HKEB CCOP(=O)(OCC)[C@H](Cc1ccccc1)N=C(c1ccccc1)c1ccccc1 5839121 WLRUOTVHVFBTLE-XMMPIXPASA-N 421.477 6.359 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)nc2c1 6449719 SHOWLYPGVRWFPY-CAUYNWHBSA-N 415.449 6.373 30 40 HKEB CCCCCCCCCCCCCCCCCCn1c(CO)nc2ccccc21 8432813 FZDZXGOGQVVBDD-UHFFFAOYSA-N 400.651 7.790 30 40 HKEB COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2OC)c2nc3ccccc3o2)cc1 9047146 VFVXGAGINDBZDD-CYVLTUHYSA-N 413.429 5.047 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1 15015545 NEFRQJIHCXRNAO-YWROOUKNSA-N 416.502 5.512 30 40 HKEB COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 16769995 DNHSZHMWLWETOR-WMOWQXFYSA-N 416.502 5.512 30 40 HKEB C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(Cl)c(Cl)c1 32604300 NDMIGEIAGUESTE-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)cc1C 33027166 JFPFXPZHNOGFMP-UHFFFAOYSA-N 413.477 5.639 30 40 HKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1C 59247889 CQGCWZUPEMXDPV-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 59837359 JLIWGTASKHCFPA-UHFFFAOYSA-N 401.228 5.995 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 97940026 LAJIGWHPWBXEFP-IBGZPJMESA-N 411.542 5.762 30 40 HKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118920809 GRBHNQFQFHLCHO-JXJKZZMCSA-N 424.713 8.233 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C 408756086 XMAAEOULQQKZOW-FMCGGJTJSA-N 401.735 6.569 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408870321 VUQDDAYWCUHHHF-WCUGPCOUSA-N 420.578 6.268 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1C1CCCCC1 408914988 OQLSPNLKVQISFZ-OBUXZSPNSA-N 404.579 6.494 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OC(C)C 408915453 YRBPGJVBPFWNPQ-QMSJJHEMSA-N 424.566 5.803 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 408915907 RRCDDBIAQDYZHM-GCXIQGEKSA-N 402.494 5.938 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O 408933815 BMQIGNRASVDKHV-CLCRJXLZSA-N 410.517 6.368 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)c1 408968454 YYNBQUMMGBJPCT-MXAYSNPKSA-N 415.320 6.328 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 409110910 ZOFGKNQRFROHMJ-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB CCc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 409277742 BUQFOIYBOZXLSR-UHFFFAOYSA-N 421.422 5.527 30 40 HKEB C=CCc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC 409329762 HTMBNTBHXMHKQO-CPNJWEJPSA-N 411.548 5.147 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)c(Cl)c3)c2)cc1C 409382518 OEAFKVYUWHLRJD-LGJNPRDNSA-N 410.876 5.864 30 40 HKEB Cc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C(C)C 1531385190 QWVWPFHIJBMVGX-OGLMXYFKSA-N 420.516 5.790 30 40 HKEB Cc1cc(Oc2cc(-n3ncc(C#N)c3N)nc(-c3ccccc3)n2)cc(C(C)C)c1 632494 JCKXOXORXHAUNY-UHFFFAOYSA-N 410.481 5.007 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@H]2C[C@@H]2c2ccc(OC)cc2)cc1 1389526 JCTNEVXAUVWPEL-NOBPMBFOSA-N 401.462 5.069 30 40 HKEB O=C1/C(=C\c2ccc(OC(F)F)cc2)CCC/C1=C\c1ccc(OC(F)F)cc1 1457642 SAFRXPHGTZUONG-RFTYBOQRSA-N 406.375 6.109 30 40 HKEB C=CCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 1799338 FOXZAOMUHUKULZ-UHFFFAOYSA-N 420.622 6.452 30 40 HKEB biogenic O=C1C(c2ccc3c(c2)OCO3)=C(Nc2ccc(Br)cc2)c2ccccc21 2561907 SGFHMCHEUVHOEV-UHFFFAOYSA-N 420.262 5.355 30 40 HKEB N#Cc1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)Cc1cccs1 2801729 XSJORLRIEWNLIR-UHFFFAOYSA-N 400.528 6.196 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 2966124 XVLPVNXBRIGCFV-JCMHNJIXSA-N 417.555 5.806 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 3099166 KJMGHVJCZAEFNB-JFLMPSFJSA-N 412.876 7.467 30 40 HKEB CN(C)c1ccc(/N=C(\C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc1 4235340 ABPZHOIRPGJOLR-XDHTVYJESA-N 420.520 5.107 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4719064 OXOXGMYEFMYAAZ-WPWMEQJKSA-N 406.441 6.631 30 40 HKEB Cc1cccc(/N=C2\S[C@@H](C)CN2C(=O)Cc2coc3cc4c(cc23)CCC4)c1 6053922 LYTIBFKUILVXLE-BDLILHNCSA-N 404.535 5.424 30 40 HKEB CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3)n2)cc1 6090122 HYVIWNGNKJJMJP-UHFFFAOYSA-N 422.553 6.978 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 6962431 CFXZLOKLQNTVFO-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1cc(Cl)ccc1Cl 7343442 OXRQMNDYPBJQQG-WYMPLXKRSA-N 412.324 5.734 30 40 HKEB Clc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)c(Cl)c1 8811318 ZUSWAMHICXPBNG-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 12541815 ZCGHMDMBFNELNL-WGOQTCKBSA-N 421.529 5.948 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 13786516 FOGSYJIRSPSKSO-ATVHPVEESA-N 404.413 5.162 30 40 HKEB O[C@@](CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 20058010 ZWSGNLCSUUIPOH-PMERELPUSA-N 423.600 6.160 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 59418034 SHJGHMNEJPIMNR-KGENOOAVSA-N 404.466 5.296 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)Cc3ccc(Cl)cc3)c(C)c2s1 72228568 OSZTWCUGXVABFT-MXAYSNPKSA-N 414.962 5.946 30 40 HKEB COc1cccc(/C=N\Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1O 83295837 JBSYXZXIYVVGIG-CFRMEGHHSA-N 404.857 5.110 30 40 HKEB Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)sc2nc(C(F)(F)F)ccc12 84068067 JLNQEMYFQBSOAY-LLVKDONJSA-N 401.369 5.255 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](C)c1ccccc1 100038030 RVZRCFDTNFWTPN-RUZDIDTESA-N 401.679 8.168 30 40 HKEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)[C@@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C[C@H]12 100745266 FFBZDXFXMPXMPT-GXPKDQFGSA-N 411.630 5.351 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 100813224 MZAWRRKMSHXSEL-ZVHZXABRSA-N 404.560 6.663 30 40 HKEB CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O 102417451 XHFZQRLURYOBGK-JVWAILMASA-N 414.505 6.647 30 40 HKEB COc1ccc(C(=N/c2ccccc2)/C(=N\c2ccccc2)c2ccc(OC)cc2)cc1 104046578 CAZWIUFQHGHKHJ-ZUELCTOOSA-N 420.512 6.646 30 40 HKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccccc1I 408589673 MQTYLVQCYABYEH-FYJGNVAPSA-N 415.278 5.145 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 408595500 XDYJTWRRZHCWSX-OCSSWDANSA-N 415.496 6.265 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408930964 FKIVKCLXCOTJOS-TURZUDJPSA-N 415.581 5.979 30 40 HKEB Cc1ccc(-c2cnc(N)c(C#N)c2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408985329 LKUNXDHXAXECOR-UHFFFAOYSA-N 413.565 6.479 30 40 HKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O 409046340 JZGHRWIJMFYIHE-UHFFFAOYSA-N 420.336 5.522 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1 409064954 RGFSIACCTACGKM-HZHRSRAPSA-N 407.426 5.258 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCCC4)o3)c2C#N)C1 409084360 XSSDVJHOSPMGCD-MOROIOLQSA-N 409.599 6.495 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3ccc(Br)cc3)o2)nc1 409106546 MONLMDYAGCOUGP-RMORIDSASA-N 410.193 5.569 30 40 HKEB O=C(O)c1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 409199129 BHXUSTCHKCUWOO-WYMPLXKRSA-N 400.261 6.021 30 40 HKEB O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)Cc2ccccc21 409368982 WBDZBQVMUBLDBQ-CPNJWEJPSA-N 405.291 5.851 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 1889179234 NJWYLVQOSGELIN-WNFLUOIUSA-N 420.637 6.776 30 40 HKEB COc1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1OC 793765 NXEXNWOBXGNXIO-AREMUKBSSA-N 413.517 6.167 30 40 HKEB CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)C(=O)C1 3188639 ZXNALFIOKFKOON-UHFFFAOYSA-N 423.516 5.472 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CC 4363899 GWNJVLOOORZMIL-GZNJHTOZSA-N 409.001 5.865 30 40 HKEB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 4864500 PLYNTLFRTGYPHW-AQTBWJFISA-N 403.825 5.548 30 40 HKEB CCOC(=O)C1=C(/C=C\c2cccc(Cl)c2)O/C(=C/c2cccc(Cl)c2)C1=O 5496555 FZNYZWGMQWRQNO-RLWWDAALSA-N 415.272 5.464 30 40 HKEB CCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 5950716 ZNPFOPDVBQHMPI-ZVBGSRNCSA-N 409.711 5.524 30 40 HKEB COc1ccccc1NC(=O)CNc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 6084284 IJBURCVEFFPVFK-IBGZPJMESA-N 405.885 5.055 30 40 HKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 8559377 XUWCCDGVUORDSB-HSZRJFAPSA-N 419.912 5.543 30 40 HKEB N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1C(F)(F)F)CCCC2 8992056 PXTBPIWVCAKECU-UHFFFAOYSA-N 400.828 5.936 30 40 HKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 9361356 DAVGTTCBPUSWRB-MYYSRTQBSA-N 416.452 5.485 30 40 HKEB CCCn1c(/N=C(\O)CCCSc2nc3ccccc3s2)nc2ccccc21 12540172 HIQUCTXJPWIIDA-UHFFFAOYSA-N 410.568 6.217 30 40 HKEB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 13294281 SRSFIVARBVIBSL-AUQXIXNCSA-N 411.571 5.479 30 40 HKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[n+]1ccccc1 15953981 SYUGLBZIXVZTRT-SVPNHEPISA-N 422.589 5.500 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc(C(F)(F)F)c1)Nc1ccc3ccccc3c12 16578030 UWOFKJCTRKFGPQ-DEOSSOPVSA-N 421.462 7.168 30 40 HKEB COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)O2 16742562 AITMLQDCBLUORI-ODLFYWEKSA-N 414.335 5.368 30 40 HKEB CCc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccccc1Cl 19857498 IKOWAEJVTJAXOG-UHFFFAOYSA-N 423.969 5.938 30 40 HKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl 33957388 XQQADLVGNFCRTE-CELNVRQLSA-N 424.947 6.516 30 40 HKEB CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1 100727700 DPCYBKNIAFUUCS-YZSQISJMSA-N 411.461 5.377 30 40 HKEB CCCCCCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 102860477 GXGMPQLTZQGTMQ-UHFFFAOYSA-N 410.489 5.459 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123235024 RSCRZLUNFHPKSW-LPPQQDIISA-N 402.663 6.456 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408738403 KNHBVMLZEDOTDC-MTJSOVHGSA-N 417.921 6.175 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1O 408855824 FSTSMCMOXBIMOG-JAGJEQFHSA-N 422.550 5.584 30 40 HKEB CCOc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1I 408905399 YKNZNROUIHEHPT-BKUYFWCQSA-N 407.295 5.738 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Br)cc1 409053155 LMLPZSPXVLZYPC-FXBPSFAMSA-N 400.297 5.314 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1cccc(Cl)c1 409115706 NRZPNQPJBDJJQZ-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB Clc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1 409198880 ACUIIKRQMMFTRM-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409202973 TYXWBMDDMZMNFF-YDZHTSKRSA-N 421.409 5.671 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC 409215648 CVVGWIBQRLAIBT-DJKKODMXSA-N 415.658 5.021 30 40 HKEB O=C(c1ccc(-c2ccccc2)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242686 GHJPNZJVOJKJTR-UHFFFAOYSA-N 418.230 6.144 30 40 HKEB CC(C)CN1C(=O)/C(=N\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 3345399 OZMPEVBEJGYXDO-PKAZHMFMSA-N 414.349 5.848 30 40 HKEB CC[C@H]1CCc2nc(SCc3ccc(C(=O)O)cc3)c(C#N)c(C(F)(F)F)c2C1 4405112 BPQNPTIDRDWMJC-LBPRGKRZSA-N 420.456 5.477 30 40 HKEB COc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 4861352 WFDIFUKEIBHOEJ-OCEACIFDSA-N 417.578 6.480 30 40 HKEB C/C(=N\N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 5808793 ZERSWHDPHXVNTN-KOEQRZSOSA-N 401.539 5.257 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 8427501 ZQAGPGGDUPBPPM-AWQFTUOYSA-N 421.196 5.516 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 9009608 BKWVWYXLCFFOBU-OSPHWJPCSA-N 411.530 5.822 30 40 HKEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(CN2CCCCC2)cc1 32907518 BEBUFVBELLFKSS-UHFFFAOYSA-N 400.547 5.386 30 40 HKEB Brc1ccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 59249764 LMGPCVMDOLKRGQ-KOEQRZSOSA-N 407.355 7.038 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59303200 YGQDPTHNOYISPN-CVKSISIWSA-N 408.929 6.539 30 40 HKEB CCCCCCCCCCCCCCCCOc1c(Cl)cc(Cl)cc1Cl 104156327 JKCZIZUDOOVIBU-UHFFFAOYSA-N 421.880 9.507 30 40 HKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[C@H]1c1nccs1 136409689 ICGXJAYKIUSFHN-PDLCMLHASA-N 421.330 6.128 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408738985 QVLNEGHKPKUVCV-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408915917 RUBQAKJQXRXWRB-FTJNEJEMSA-N 406.551 5.940 30 40 HKEB CCn1c(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409402752 JFIUJHAKKWXWAT-UHFFFAOYSA-N 406.489 5.229 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3ccccc3Cl)c(Nc3ccccc3Cl)nc12 911100 IPCFNQFXSKRDRB-DHRITJCHSA-N 423.303 5.804 30 40 HKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 2450146 FTALQPRDECTAMT-UHFFFAOYSA-N 415.518 5.268 30 40 HKEB O=C(C[n+]1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(-c2ccccc2)cc1 2557648 PKCCJEWXIVNFKE-UHFFFAOYSA-N 417.532 5.791 30 40 HKEB C[C@H](Oc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N 2768998 ZISOTKBCRBOHIQ-LBPRGKRZSA-N 417.317 6.000 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC(F)F)c2C#N)C1 2792604 XTZGHZADPQRMBY-LBPRGKRZSA-N 404.482 5.624 30 40 HKEB N#Cc1c(SCc2cccc(F)c2)nc(-c2ccc(Cl)cc2)c2c1CCCC2 4051688 UENGEWGHQUXUPG-UHFFFAOYSA-N 408.929 6.584 30 40 HKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 4740324 HXWFJLDEDOGQHX-CNFVUWAHSA-N 401.337 6.309 30 40 HKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(OC)ccc3ccccc23)cc1 5900398 OVNFLKHGCRWPAY-OEAKJJBVSA-N 404.495 5.050 30 40 HKEB CC(C)(C)C1CCC(=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)CC1 6186712 YWSCZMSLJJVVQV-UHFFFAOYSA-N 421.593 5.610 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4)o3)o2)cc1 8654648 HILHMWUBDYJTIQ-UHFFFAOYSA-N 401.422 5.006 30 40 HKEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 12406352 UYYMWZLOVWLSFG-LGKKXNCDSA-N 410.517 6.541 30 40 HKEB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 12419408 FWHFTNQTMQZSCJ-LPYMAVHISA-N 419.458 5.512 30 40 HKEB Cc1ccc(COc2ccc(/C=C3/CCC/C(=C(/O)C(F)(F)F)C3=O)cc2)cc1 12469961 WLJQWXPMQFWFEP-GTFONSFASA-N 402.412 6.085 30 40 HKEB Cc1ccc(CN2CCN(/N=C\c3c4ccccc4cc4ccccc34)CC2)c(C)c1 19850387 ZKNBWFMWALNMPJ-CEUNXORHSA-N 407.561 5.762 30 40 HKEB COc1nc(-c2ccccc(=O)c2O)cc(-c2cccc(Oc3ccccc3)c2)c1C#N 19909750 FOASFIJKTXKILB-UHFFFAOYSA-N 422.440 5.154 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3Cl)nc2-c2ccccc2)cc1 59463654 WOLSSOQIQUEWAK-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccccc1F 69383094 QCBZCKCSNOQQFO-NTCAYCPXSA-N 401.868 6.899 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(CCCCCCC)c2nc3ccccc3nc12 97953002 GTHAPXBNNMJTEJ-UHFFFAOYSA-N 424.589 6.264 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102627773 SEHFFJURRWGCQS-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408719168 IUGUYNGSWAKRGR-SFHVURJKSA-N 421.305 5.103 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O 408907558 BJEXNVDEDLASJO-NVTWWLNUSA-N 414.958 5.925 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 408966662 NLMINRVOMDNZIT-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CCCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409040496 YJUHEUARYQHXMU-GYRAYZOKSA-N 424.744 5.241 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3c4ccccc4cc4ccccc34)c2C#N)C1 409078477 HYPSBGBRACEEKE-SAOCZUBPSA-N 422.597 7.828 30 40 HKEB CCOc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409201709 NMFPCJUEGMOCQH-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 409214335 XMQAAQKFNWPZPJ-MTDXEUNCSA-N 411.501 6.577 30 40 HKEB COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O 785145 OWJYKYUEOLKMSQ-DEOSSOPVSA-N 400.478 5.259 30 40 HKEB Oc1c(I)cc(Cl)cc1/C=N/c1ccc2ccccc2c1 1021432 NLMRLWJSBBJMSQ-KEBDBYFISA-N 407.638 5.554 30 40 HKEB CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 5068028 KHRPSENQHFMJAI-MFKUBSTISA-N 402.885 5.795 30 40 HKEB CCCCOC(=O)CCCCCCC/C=C\[C@H]1C=C[C@@H](CCCC)[C@@H](C#N)[C@H]1C#N 5784375 OUCFEMDIOMPJEK-ZFKQOIJISA-N 412.618 6.889 30 40 HKEB Cc1cc(C)cc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1 6551313 QYAZZISKUYIFHS-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 13646840 UNKZUWQHQHKIIQ-WJDWOHSUSA-N 405.306 5.450 30 40 HKEB CC(C)=NNc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 72229762 GVBMDINHSOLCOO-UHFFFAOYSA-N 403.305 5.119 30 40 HKEB Fc1ccccc1/N=c1/scc(-c2ccccc2Cl)n1/N=C/c1cccnc1 96400493 XTXCXTGSHXKEMA-LPUPHVAQSA-N 408.889 5.519 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 97951996 UCHWRRWVEAHRTD-UHFFFAOYSA-N 413.656 6.989 30 40 HKEB CCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 97978455 NWQWMRGPQVJCNH-UHFFFAOYSA-N 409.611 6.635 30 40 HKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 102562015 NGWZSTKVDZFEPA-UHFFFAOYSA-N 403.994 6.768 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 197636223 OAXVAZOODLPKND-MTDXEUNCSA-N 422.484 6.458 30 40 HKEB CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 254836597 KKCSMFAZRNSRNN-MTHISFFCSA-N 400.632 5.276 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408870673 WJJHPGHSPYPKRK-IYBUDIMNSA-N 420.534 5.598 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 409062737 ABFHQIITVRHTND-HMAPJEAMSA-N 417.534 5.303 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4[nH]3)c2C)cc1Br 409176550 QXZOTHFXFGHCDJ-FSJBWODESA-N 422.330 5.487 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409199262 AWWMARXWFAGGBN-JVWAILMASA-N 416.521 5.779 30 40 HKEB Cc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1Br 409389775 ABMWWDSWIPFZQV-UHFFFAOYSA-N 420.306 5.628 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2272828 OBJQVXAWTHQLFE-UHFFFAOYSA-N 414.574 5.936 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1 2821101 FPCAJAHNSFZETN-FOKLQQMPSA-N 411.248 6.196 30 40 HKEB C[C@@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C)c1ccccc1 4107857 WJXQYNIVOZGAFY-JKQYAUROSA-N 415.971 5.373 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CC)C2=O)cc1OCC 4680459 VSFXCUYXIKXZDH-RERTVAKNSA-N 410.539 5.498 30 40 HKEB CC1=C[C@](/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 5950491 LSKQOMPXJBWBDX-DOAWATSRSA-N 412.471 5.562 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3cccc(Cl)c3)ccc21 9210561 YBKGNAOSKHAODN-NHDPSOOVSA-N 415.247 6.328 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 10035271 HFYMINZIHCTHIH-JXFKEZNVSA-N 424.426 5.021 30 40 HKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118953 QJZCUIKKFRGHDR-CVKSISIWSA-N 409.917 5.048 30 40 HKEB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 17089537 VJFHFEDORQZIPA-UHFFFAOYSA-N 413.456 5.026 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 18197316 FHRZKUVZYSDELW-YPMLDQLKSA-N 417.321 5.062 30 40 HKEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1 20647707 IMNSCRNQWOBIAR-WYIUDDKKSA-N 403.478 5.233 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1)C2=O 20648130 KJLHMUSIKGSGBZ-KQWNVCNZSA-N 409.526 5.419 30 40 HKEB CCSC1=C(C(=O)c2ccc(Cl)cc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 26896905 DHMIWHJPBDPWMZ-QGZVFWFLSA-N 423.386 6.588 30 40 HKEB O=C(/C=C\c1cccc(Cl)c1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 33376692 YJYNEOWRYSAIGL-PQMHYQBVSA-N 416.857 5.143 30 40 HKEB COc1ccc(C)cc1[C@@H](CCOS(=O)(=O)c1ccc(C)cc1)c1ccccc1 38319609 XFMJXASCGLTHSN-QFIPXVFZSA-N 410.535 5.240 30 40 HKEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1OC 408705622 KDHKFDLNIYHJRD-SFHVURJKSA-N 414.505 5.167 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 408777285 XTQRPNDZIPOXHH-JMIUGGIZSA-N 422.941 5.343 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 409208000 ABYDQPPLSQFFCM-WGOQTCKBSA-N 409.913 6.467 30 40 HKEB CCOc1cc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)ccc1O 684740 MQTXHLJNZDMFTE-RUZDIDTESA-N 413.517 6.254 30 40 HKEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2083692 UZQZPNPAQCQYCH-LBPRGKRZSA-N 423.365 5.992 30 40 HKEB N#Cc1c(Nc2cccc(C(F)(F)F)c2)sc(C(=O)c2ccc(F)cc2)c1N 2118099 VPCQOYXXNQWUKW-UHFFFAOYSA-N 405.376 5.334 30 40 HKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C 2618583 QRNGORAMSOQMMC-UHFFFAOYSA-N 418.522 5.107 30 40 HKEB Cc1ccccc1NC(=O)c1ccc(/N=C/c2cccc(Oc3ccccc3)c2)cc1 3084391 LNJPCJXPNHGIQK-TURZUDJPSA-N 406.485 6.790 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O 3113905 YSKTXYUKKSGKQJ-AUEPDCJTSA-N 411.776 5.652 30 40 HKEB CCOc1ccc2nc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)sc2c1 3266063 DJPFEMMXIUIAHH-CIAFOILYSA-N 424.591 5.668 30 40 HKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O 8695570 VOSKIXOMVVSEKZ-VBKFSLOCSA-N 419.424 5.249 30 40 HKEB COc1cccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1 9646808 QBLLWMQZCQLIEP-OAHLLOKOSA-N 423.929 5.132 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1c[nH]c2ccccc12 12278533 GJXLSNDEOWXCCC-FRKPEAEDSA-N 421.831 5.732 30 40 HKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccco2)cc1 19855673 SPEJPRAEYQAJKE-XIEYBQDHSA-N 416.502 5.426 30 40 HKEB COc1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 33378859 KMPULMSHNFVSPZ-ZSOIEALJSA-N 422.864 5.473 30 40 HKEB Clc1ccc(-c2nc(N/N=C/C=C/c3ccccc3)sc2-c2ccccc2)cc1 34804807 GXGSOKGIDNTLDT-LGFPMUJSSA-N 415.949 7.242 30 40 HKEB Cc1c2c(cc3c1O/C(=C\c1ccc(-c4ccccc4)cc1)C3=O)CN(C1CC1)CO2 41588684 XMDVBONPXLLHKA-CFRMEGHHSA-N 409.485 5.593 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)cc1C 59224062 SAFBXRNFSPJUGQ-NDENLUEZSA-N 418.474 5.153 30 40 HKEB Clc1ccc(/N=C\c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 101472918 UHVFNMCTNHHFSD-UIXGLJBASA-N 422.142 7.801 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@H]12 104316682 CLAGILMPDRRMOU-AQTMLSCTSA-N 422.718 7.420 30 40 HKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224941959 MMVQYXIQSXJCLU-UHFFFAOYSA-N 411.137 5.682 30 40 HKEB Cc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(C)n1C 409079346 FMROFMUUBSUIGD-HUIWRNEVSA-N 401.963 5.555 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(C#N)cn3)c2C#N)C1 505464642 MKIQMBFZSQULBE-OAHLLOKOSA-N 424.595 5.158 30 40 HKEB Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 1079935 ZPMNCZZOKKEZMU-LJQANCHMSA-N 404.466 5.067 30 40 HKEB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2081413 VAUIKRCUVDVMES-AWEZNQCLSA-N 402.947 5.647 30 40 HKEB C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2273750 BVCSQZXFYHAZCN-INIZCTEOSA-N 418.672 6.467 30 40 HKEB N#CC(Cc1cccc(F)c1)(Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl 3411815 XVFRGPYSRVLEAJ-UHFFFAOYSA-N 410.851 5.552 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 4181665 DITRHTVVQVXPDB-VNCGKFBJSA-N 409.489 6.480 30 40 HKEB CCCCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 4459742 CYMYDBBBHPKIOM-RUZDIDTESA-N 404.554 6.478 30 40 HKEB Cc1cc(C)c(C#N)c(Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 13133835 ZWMFUYVFWREUKF-UHFFFAOYSA-N 417.925 5.622 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@H]1O 33820663 OFHCOWSQAMBJIW-FLFCXVRSSA-N 400.647 6.590 30 40 HKEB in-vitro C=CCOc1ccccc1CN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc21 46084961 CNLASBPKOVJERL-VYIQYICTSA-N 417.896 5.268 30 40 HKEB CCN(CC)CCc1nnc(/N=C(\O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1 51145342 NKOCHYZCBJZQDT-UHFFFAOYSA-N 416.635 5.654 30 40 HKEB Cc1ccccc1CN(Cc1cccnc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C 65499046 HLIGMRIOMRNBRX-UHFFFAOYSA-N 401.514 5.053 30 40 HKEB CC(C)=NNc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 72229765 YCYICOQZDITQDU-UHFFFAOYSA-N 403.305 5.119 30 40 HKEB c1ccc(C/N=C2/c3ccccc3[C@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 104045520 ZCLGJVKIUWRQMS-JHQVNJRWSA-N 400.525 5.818 30 40 HKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3c4ccccc4cc4ccccc34)C2=O)s1 137427421 IWVICFUTMGXZKU-GHWCWRRZSA-N 415.543 5.825 30 40 HKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408566467 GRXRGQLDASUPDJ-YZSQISJMSA-N 410.477 6.115 30 40 HKEB CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408721991 NSBWBBVAECLMBR-UHFFFAOYSA-N 422.525 5.570 30 40 HKEB Oc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408742056 URAXXKJSAQCKSG-MWAVMZGNSA-N 414.508 7.268 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(OC)ccc3ccccc23)S1 408873653 UNAZAIVVDSMOJB-BKUYFWCQSA-N 404.491 5.057 30 40 HKEB O=[N+]([O-])c1cc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)ccc1Cl 408930992 FVZPOWIOMNOYAU-UCQKPKSFSA-N 411.845 5.095 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409121153 YTBHTKZXKUESDO-UHFFFAOYSA-N 423.534 5.194 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 409200857 JRZHDHXMLSNRMH-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1 409203957 ZZOWSNBGYSNOFV-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 409212681 PHAIDJHYCJLLTI-VUTHCHCSSA-N 423.512 7.126 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 409220197 ZDOANBRHGFCFCV-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Cl)ccc1O 409282075 MLXUKGSVTDPASP-UHFFFAOYSA-N 415.836 5.051 30 40 HKEB Cc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)o1 409288707 BNODKLXMLHNVSI-UHFFFAOYSA-N 403.825 5.247 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409330672 LVMKHCVRFRAVCF-FQEVSTJZSA-N 424.545 5.023 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 815890 BPBWXYUJJPCQEA-PNDGYVOYSA-N 404.510 5.041 30 40 HKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(Br)o3)C(=O)N2CC)cc1 1011914 CZSXICGEBZDTSF-AHHCQKMLSA-N 421.316 5.065 30 40 HKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)cc1 2215156 VXKSCQAWPNIKKI-WGOQTCKBSA-N 424.529 6.195 30 40 HKEB Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(C)c1Cl 3211199 FWHJPANWJRCPCC-OPEKNORGSA-N 411.288 6.875 30 40 HKEB Oc1ccccc1/C=N/C1=CC=C(Cc2ccc(/N=C/c3ccccc3O)cc2)CC1 3274088 SHLNPQNHFBEQJW-UOSOPFLXSA-N 408.501 6.114 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C)C2=C(CC(C)(C)CC2=O)N1 4168306 BNYGASRQLYQYGQ-DEOSSOPVSA-N 414.549 5.546 30 40 HKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 4181659 VOPFGQSZFQTNNB-LRAANZKUSA-N 409.489 6.480 30 40 HKEB C=CCn1c(Cc2ccccc2)nn(C2c3ccccc3Oc3ccccc32)c1=S 4694517 PJBYKRBPAUICKI-UHFFFAOYSA-N 411.530 5.934 30 40 HKEB C=CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1-c1ccccc1 8782282 LYTBUTYZWKBQHG-UHFFFAOYSA-N 421.473 5.179 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 12349253 PAMOTRGRFGEWQY-QFIPXVFZSA-N 404.897 5.425 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(Br)cc1 12550899 RGAVJCZXDDCYBS-YDZHTSKRSA-N 422.330 5.189 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccccc1OC 12639831 ITQMFIMZBAYGBE-UHFFFAOYSA-N 413.930 5.129 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 18197576 SBKWZUOXZNBHTK-GOSISDBHSA-N 420.328 5.092 30 40 HKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 20762841 VSBMOKOUBOCKQP-DHRITJCHSA-N 415.320 5.705 30 40 HKEB Cc1ccc([C@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN32)c(C)c1 20792830 QTHZGJIAEIEINR-QKDODKLFSA-N 419.503 6.342 30 40 HKEB CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N 33324434 FLLFLLSFFOUUKV-GFCCVEGCSA-N 416.275 5.358 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=S)Nc3cccc(Cl)c3)c(C#N)cc2c1 35312813 NBCUQRLLGQCEOB-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 59387323 BOJRBBABRAMJFX-ULJHMMPZSA-N 405.453 5.763 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Br)cc3)cc2)cc1 100142463 LEVKWAQNKOFKGI-OYKKKHCWSA-N 423.310 5.526 30 40 HKEB CCCCCCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 102565160 DIDQBKDUQJPLNC-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(F)cc4F)o3)c2C#N)C1 408602449 NZDUHVHFDGCXJF-PFFIHKFBSA-N 424.516 7.060 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cccc2ccccc12 408735402 POHFZKXTMMGHGF-QQXSKIMKSA-N 424.521 6.757 30 40 HKEB Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408962915 WATYSIDDHGDVDU-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)c1 408966356 MBGPEJWBFNPKGN-CVKSISIWSA-N 418.493 5.116 30 40 HKEB CC[C@@H](C)n1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409050638 YADZBBUCVDEFSK-LIZQJMPGSA-N 409.402 6.371 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 409069996 ZCPWTLLTQHHWAT-CVKSISIWSA-N 420.440 5.801 30 40 HKEB CC(C)(C)S[C](O)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 613839586 BACCUENIDSERCB-LJQANCHMSA-N 416.588 5.217 30 40 HKEB C(=N/Nc1ccc2ccccc2n1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3169477 VNLLGUZUZFATLX-HGEKMQANSA-N 410.521 5.096 30 40 HKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 4075143 XDBUICCCAGCPKT-UPCLLVRISA-N 402.519 5.736 30 40 HKEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3)sc3c2CCC3)cc1 4545796 UCEUPHWUHKVMLZ-MFKUBSTISA-N 420.534 5.647 30 40 HKEB Cc1ccc2c(c1)N[C@@H](c1c(Cl)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 5364106 OBVJYGRMERWDGZ-NRFANRHFSA-N 401.337 6.524 30 40 HKEB N#CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 9158424 NZOVIEKNUHMVCX-UHFFFAOYSA-N 424.172 5.144 30 40 HKEB biogenic COc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1 9195628 CXLMIEKWLVYGTQ-LSHDLFTRSA-N 420.252 5.294 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2ccccc21 9422725 WPDTZUQVOAJHAW-CIAFOILYSA-N 415.470 5.558 30 40 HKEB Clc1ccc(/N=C(/C=C\Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 16400091 RJDZDTMMAXABRO-HNCIKHADSA-N 401.724 7.393 30 40 HKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 32194238 BSKGKIBDPRRTJY-PEHRLVKHSA-N 420.310 7.063 30 40 HKEB Cc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 59502993 AOYIYIBKUSLGHY-PCLIKHOPSA-N 409.497 5.422 30 40 HKEB CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl 68568974 KNNDSPORFSUXSH-CYYJNZCTSA-N 400.994 8.837 30 40 HKEB C=CCn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(C)ccc21 100874067 ZSWWPCZCBZLNOH-QPLCGJKRSA-N 412.514 5.169 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2C(C)=CC1(C)C 198161826 ZTMYWYCBFAGUIO-VUTHCHCSSA-N 410.561 7.560 30 40 HKEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260569788 SGLWJVROOQOUTF-RPJFXQLQSA-N 405.567 5.642 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3F)c3ccccc23)c1 408593594 QLHYRODDDPSPMB-DHRITJCHSA-N 403.413 5.288 30 40 HKEB CC(C)(C)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408786763 NGPQUIRNIISXKV-WJDWOHSUSA-N 405.350 6.183 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1Br 409050814 AEQAHFJXWSRPDT-FXBPSFAMSA-N 400.297 5.314 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 409202840 TVNOVMLJLBOGAP-RWPZCVJISA-N 403.884 7.270 30 40 HKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1 409346691 LBAOVYSDVUDOCY-YVLHZVERSA-N 422.358 5.964 30 40 HKEB CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2Cl)C[C@@H]1c1ccc(F)c(Cl)c1 1554503146 JSOSTCQKJHAXAU-FOIQADDNSA-N 407.268 5.452 30 40 HKEB COc1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1OC 727155 KDFHQHHEQAHSPN-AREMUKBSSA-N 413.517 6.167 30 40 HKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 1439866 QKTHSKTZYVXHRA-WGDIFIGCSA-N 414.480 5.814 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc12 3115340 DEHUQWWTSYJPOR-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 4023044 KRIJJJPVKTUTFZ-ZANOAUCBSA-N 407.598 5.255 30 40 HKEB biogenic C=C1CC[C@H]2[C@@](C)(C(=O)NCCCCCCN)CCC[C@]2(C)[C@H]1CCc1ccoc1 4064138 CBPBBJSTPXAZBY-JMQONQOQSA-N 414.634 5.626 30 40 HKEB biogenic Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3F)sc3c2CCCC3)cc1C 4554191 NEWRMFGWPTZYNP-VULFUBBASA-N 406.526 6.386 30 40 HKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1 4944877 WAENLYQJYFMAOP-LJQANCHMSA-N 423.484 5.007 30 40 HKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 6267213 AMMGXBRAYWLASL-NJZRLIGZSA-N 413.524 7.265 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 8371774 XDSPFRIQHQBZRQ-DHRITJCHSA-N 400.305 6.640 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 8989906 UBVBHNKSFWVORU-ZVBGSRNCSA-N 410.644 6.261 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1cc2ccccc2o1 10681970 UDFBTSVPLVDBIR-UHFFFAOYSA-N 422.485 5.056 30 40 HKEB FC(F)Oc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(OC(F)F)c1 12617714 VSTAXNOWOYLUGA-MZJWZYIUSA-N 418.390 5.930 30 40 HKEB Cc1ccc(OC(=O)c2ccccc2Cl)c(/C=C2\Sc3ccccc3C2=O)c1 13765581 CZQHTAKVWNLLFH-BKUYFWCQSA-N 406.890 6.197 30 40 HKEB CCOc1cc(Br)c(Br)c(/C=N/c2ccccc2F)c1O 16688130 QMXASDYXHSEHOO-UFWORHAWSA-N 417.072 5.206 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2cccc(C#N)c2)c2ccccc12 20763595 XGBXTTYXYCWYEU-STBIYBPSSA-N 408.505 5.002 30 40 HKEB N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 22415373 FTGSDIIEHUSLHV-UHFFFAOYSA-N 413.458 5.296 30 40 HKEB CCCCCCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 59691125 XHKYZTKESQPEMQ-UHFFFAOYSA-N 400.526 6.724 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 100283781 YWUZBNYYVKOQAR-UHFFFAOYSA-N 402.966 7.504 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 408739699 DRVBOULFOBTSAT-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCOc1cccc(/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 408824412 QCCQCNIBPVUHRK-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB CC(=O)Oc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408846203 PGRCHYIOXIXMJP-MYYYXRDXSA-N 418.518 5.555 30 40 HKEB CCN1C(=S)N[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C1c1ccc(Cl)cc1 2643636 GMYHAEMQKXENDP-SFHVURJKSA-N 405.350 5.245 30 40 HKEB CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4184793 VPTOUUNURWGPOU-VWLOTQADSA-N 411.545 6.829 30 40 HKEB COc1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1OCc1ccccc1 4907244 SAXCYEFNDOWKTL-RDRPBHBLSA-N 418.496 6.126 30 40 HKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1nc2ccccc2s1 4925346 QAGYGSLBDCVOGB-UFFVCSGVSA-N 402.310 5.543 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccccc2Cl)o1 5543151 IJFLAWXPKWEZBO-PKNBQFBNSA-N 409.268 7.410 30 40 HKEB COc1cccc(/N=C2\S[C@@H](COc3cccc4ccccc34)CN2C(C)C)c1 6590328 IUOBBMAQUQJVIY-AGHKFTSRSA-N 406.551 5.741 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)N=C2O)c1 6641998 BOKHAIWAJFUXFY-DHDCSXOGSA-N 409.294 5.743 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1 6998948 FKQQUOWYCRPCND-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB Fc1ccc(COc2ccccc2/C=N/Nc2nc(-c3ccccc3)cs2)cc1 9925837 RUGWGRQVMFUIHF-AFUMVMLFSA-N 403.482 5.974 30 40 HKEB CCCc1cc(SCC(=O)Nc2ccccc2C)n2c(nc3ccccc32)c1C#N 12648909 YILAWOITFNKBBE-UHFFFAOYSA-N 414.534 5.351 30 40 HKEB CCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1OCC 16938330 CYNBMMQKAYFJQR-LFVJCYFKSA-N 409.555 6.224 30 40 HKEB C=CCN(C(=O)c1ccc(Br)s1)c1nc(-c2ccccc2)cs1 20989139 IFOKJLQIUIHZRT-UHFFFAOYSA-N 405.342 5.467 30 40 HKEB CCOc1ccc(Oc2c(/C=N\Nc3ccccn3)c(C)nn2-c2ccccc2)cc1 35225997 OMZNSECJCGRJJX-ONUIUJJFSA-N 413.481 5.213 30 40 HKEB C/C(O)=N\C12C[C@@H]3C[C@@H](C1)CC(/C(O)=N/CCSCc1ccc(Cl)cc1)(C3)C2 103762140 KWLOWZOQMSAXRV-NFAVZRQZSA-N 421.006 5.845 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1Cl 408646280 ASIYNYFIWLQCGV-WYMPLXKRSA-N 412.324 5.734 30 40 HKEB COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 408738708 MXSLPEOATZSZDN-NDENLUEZSA-N 408.910 5.702 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 408752185 BXENBOXKNLWKEO-HAHDFKILSA-N 415.562 5.857 30 40 HKEB Fc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1N1CCCC1 409103237 XNQABJQNWHNGFG-RDRPBHBLSA-N 402.557 6.644 30 40 HKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N(C)C)cc2)C2=C1CC(C)(C)CC2=O 409211260 MRUDGHCNWYKYTB-UHFFFAOYSA-N 406.570 5.068 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409216831 LYZJOGOBZOXNHF-LGJNPRDNSA-N 423.896 5.993 30 40 HKEB COc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1Cl 409377263 HFVCTORFMQNVAX-VULFUBBASA-N 422.912 5.734 30 40 HKEB CC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1435620 NQMDSWKLPGVWDX-ZVHZXABRSA-N 422.278 5.622 30 40 HKEB COc1ccc(CC(=O)C2=CCC(c3ccccc3)(c3ccccc3)CC2)cc1OC 4264995 FCIOXQWBNAQFDH-UHFFFAOYSA-N 412.529 5.912 30 40 HKEB biogenic Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 4651590 QQBKZPLGKBYNRX-RVWXYBIVSA-N 404.558 5.074 30 40 HKEB CCCCOc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 4979146 BYFBOMDHPFNRLW-PYCFMQQDSA-N 413.542 6.899 30 40 HKEB CSc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 5931724 FXVIGUIYDFATFM-XNTDXEJSSA-N 405.342 5.063 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)N=C2O)c1OC 6848473 QKGGLGKRHHIKQJ-NVNXTCNLSA-N 409.294 5.743 30 40 HKEB N#CCCn1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c2ccccc21 12555163 FBJGZFLPTJZVQI-UHFFFAOYSA-N 412.518 5.694 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)o1 13768861 AJMZFNXUPXKOLQ-JMIUGGIZSA-N 401.245 6.090 30 40 HKEB COc1cc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC 14713120 YDQNRZDJIWYMDK-UHFFFAOYSA-N 404.491 5.287 30 40 HKEB CCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 102065604 SYQCSUAOOCSYQR-MRXNPFEDSA-N 406.636 6.077 30 40 HKEB Oc1nc2c(/N=C\c3ccc4c(c3)OCO4)cc(Br)cc2c2ccccc12 104124686 QUBNKYZPAHFMIG-RMORIDSASA-N 421.250 5.335 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677503 VWDYUBCBRYSSRI-MRXNPFEDSA-N 407.470 5.094 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1cccc(C(=O)O)c1 254792649 YWFWPXRSJRHBIC-PNVGRYOSSA-N 422.437 5.018 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408854249 AWOWTQMGRSCEMX-RJXHXUQZSA-N 419.594 5.935 30 40 HKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409084466 CVVXLWMDXIKSSI-NUGSKGIGSA-N 410.739 5.368 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Nc2ccccc2)cc1 409099264 KPZNJWNZYCWNQG-NLRVBDNBSA-N 401.510 5.798 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 409109365 CGPYMZPACDPTII-UHFFFAOYSA-N 407.941 6.658 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1C(C)C 409210284 JROWJDOAWOPLMP-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 409213178 RJVYMCZDKLECMS-COXSBDCDSA-N 402.563 6.683 30 40 HKEB C#CCN1C(=O)S/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 1166893 ZXMLRHCNZGVITQ-HMAPJEAMSA-N 417.461 5.227 30 40 HKEB Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N 1394706 RLBLNMQNYASFHY-ROUUACIJSA-N 403.894 5.402 30 40 HKEB C=C(C)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2317609 DPFKJDUCRFQXFW-UHFFFAOYSA-N 413.612 5.958 30 40 HKEB Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 3633673 NFLBDAHSOQBDLM-OLILMLBXSA-N 416.524 6.610 30 40 HKEB Brc1ccccc1/N=C/c1nnn(-c2ccccc2)c1-c1ccccc1 4557840 DCRUVHNMUIFDFN-HZHRSRAPSA-N 403.283 5.447 30 40 HKEB COc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5023211 BGOWHBDRCSQFHW-JLPGSUDCSA-N 403.294 5.465 30 40 HKEB Cc1oc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)c(C#N)c1C 9196240 YSIDRMFAHVDHEK-KIBLKLHPSA-N 415.324 5.606 30 40 HKEB CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccc(C(=O)O)cc1 9261613 WGZOVOKXNKSZTR-RVFNTIOESA-N 422.437 5.018 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1c[nH]c2ccccc12 13787825 BNTGXVPRMDJCBX-APSNUPSMSA-N 421.831 5.732 30 40 HKEB C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2ccccc2C)c1=S 16769576 HQTXHQNBRHWDNL-UHFFFAOYSA-N 424.595 5.148 30 40 HKEB Cc1cccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c1C 35291974 MWHWNMKMFGHETC-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB CCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 59608566 FHLVKSYZSJNRKO-CYYJNZCTSA-N 410.558 8.100 30 40 HKEB CCCCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795768 UPWPQOIKJHOJRI-UHFFFAOYSA-N 400.184 5.043 30 40 HKEB O=[N+]([O-])c1cc(/C=C/C=Nc2ccc(Nc3ccccc3)cc2)ccc1Br 254480474 SHNKDHXIGPBQOT-AUUMHTELSA-N 422.282 6.517 30 40 HKEB CCCCCCCCCCCOC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408723004 YVZOWRZXVRKGGM-UHFFFAOYSA-N 417.553 6.952 30 40 HKEB C#CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409121945 ZHPCJSBTJGKSEU-UHFFFAOYSA-N 407.897 6.155 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409213520 POBFFLKGLYPALW-LGJNPRDNSA-N 402.296 7.025 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1Cl 409213682 QGYPBDOCCSHLEY-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(OCC)c1 409228927 HHLKVUNWKGEQMC-ATAQLJSPSA-N 414.502 5.247 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 1069386 CQXLLTANEFKFQP-JOCHJYFZSA-N 410.433 5.116 30 40 HKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4545682 IKXSLOXNSLCXMA-SSDVNMTOSA-N 404.322 6.128 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC(F)(F)F)cc1 4548477 VKJRRUFBVMMRHE-HXUWFJFHSA-N 402.416 5.807 30 40 HKEB Cc1csc(N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)n1 4749645 GFKLXEANMVGZHF-KEBDBYFISA-N 402.317 5.239 30 40 HKEB COc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 4903640 RQOYOZVINBWKJG-NTCAYCPXSA-N 413.904 6.768 30 40 HKEB Cc1ccc([C@H](Nc2ccccc2)[C@H](C#N)N=C(c2ccccc2)c2ccccc2)cc1 5614211 KUYZSVXYXUNGMC-YTMVLYRLSA-N 415.540 6.578 30 40 HKEB CN(/N=C/c1sc2ccccc2c1OC(=O)c1cccc(Cl)c1)c1ccccc1 8387052 FYBWXGRZGWFYCK-MFKUBSTISA-N 420.921 6.244 30 40 HKEB COc1ccc(CNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 8844505 WTNWWWWCCXIOAH-UHFFFAOYSA-N 415.449 5.314 30 40 HKEB Fc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 9197009 IQXJIKQXAZMXKR-BRJLIKDPSA-N 403.284 5.835 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 9357981 WFGKCOQIHVVGHA-IZNZCJHFSA-N 421.953 5.737 30 40 HKEB C=CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(C)cc1 13844032 NNLIRRQBGVBXBY-GHVJWSGMSA-N 424.547 5.055 30 40 HKEB COc1cc(/C=N/c2ccccc2SC)ccc1OCc1cccc(C(=O)O)c1 59301852 XDZZQWDXNNVRGJ-ZVHZXABRSA-N 407.491 5.445 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 83315628 SHJGHMNEJPIMNR-STZFKDTASA-N 404.466 5.296 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 95933191 UQPYXHJTHPHOMM-CLQSCHHPSA-N 416.646 5.539 30 40 HKEB CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100132653 SVEVXDYTPMSOIT-UHFFFAOYSA-N 422.206 5.395 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 135697395 LEALAZYVNIQHPD-GCXIQGEKSA-N 418.949 6.765 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C 198161879 MGEJTNURIBNPJZ-NDZAJKAJSA-N 424.588 7.868 30 40 HKEB Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1 255962058 AGKSTYPVMZODRV-UHFFFAOYSA-N 411.745 5.902 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1C 408862208 GGLJDLOGGRDQFK-LBNOWXFCSA-N 420.578 6.186 30 40 HKEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1Cc1ccccc1 408966688 PWVLLYNHYJRYOA-FYJGNVAPSA-N 405.498 5.184 30 40 HKEB CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 409087662 CZBFYWQOVQIRNS-WGARJPEWSA-N 422.550 5.688 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2)cc1 409230266 XYBTUJPCCSGINR-HNYZTYFESA-N 416.571 6.380 30 40 HKEB COc1cccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)c1 3066609 ZCRXSBLIRYWLLV-FSJBWODESA-N 423.266 5.722 30 40 HKEB O=C(OC1=C(c2ccccc2)C(=O)c2ccccc21)c1ccc(Br)cc1 3110416 WEHJUHBPVVCEFC-UHFFFAOYSA-N 405.247 5.371 30 40 HKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1Cl 3162760 IDOPFZKHEZOBRK-JFLMPSFJSA-N 418.924 7.205 30 40 HKEB CCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 8431365 JVVACKYOMQUHES-GOSISDBHSA-N 421.647 6.909 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCN1CCCCC1 8856960 MHYWHEFSUCPQLP-UHFFFAOYSA-N 423.582 6.066 30 40 HKEB Clc1ccccc1COc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9194969 ZUSZWOVZLKUDQP-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/Nc1nc2ccccc2s1 16545375 QNEZNLULZBKVNY-HPVIMXLTSA-N 407.886 6.517 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200052 BJWGQPGUUJVREB-NPMXOYFQSA-N 418.518 5.119 30 40 HKEB CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 58196698 UEHKICOEVGXWGY-BMRADRMJSA-N 407.513 6.813 30 40 HKEB Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Br)cc3)cc1)C2 100102514 RBDLCODLJVHUHS-DHRITJCHSA-N 405.339 6.337 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)[C@H](C)c1ccc(OC)cc1 104186146 NESTUYGZJXVPCU-RUZDIDTESA-N 404.703 8.314 30 40 HKEB CC(C)N1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@@H](C)CC1(C)C 223541646 YXYIJIXCVVIHGF-FGAYPWGZSA-N 405.586 5.774 30 40 HKEB CC(=O)O[C@H]1CCC[C@H]2CC[C@H]3[C@@H](CC[C@@]4(C)C(C(=O)c5ccccc5)=CC[C@H]34)[C@]21C 253616940 NCAXLVUROKVMHK-GGSICWKTSA-N 420.593 6.380 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408758661 OSJLZKHCTJJFHE-WQRHYEAKSA-N 424.865 5.190 30 40 HKEB COc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1O 408927548 QBURWYGWEJSSAB-YSMPRRRNSA-N 420.534 5.022 30 40 HKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccccc2Cl)cc1 409056955 FPCPEEUKJYWVRV-ZVHZXABRSA-N 420.925 5.348 30 40 HKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C 409211603 MAERZTOPPJHBSV-WGARJPEWSA-N 406.913 6.033 30 40 HKEB Cc1ccccc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O 409313415 PWBINGBPFBEVQZ-UHFFFAOYSA-N 424.342 5.397 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(F)cc1 2337754 AGYXVNVOWVOVFR-MRXNPFEDSA-N 424.545 5.515 30 40 HKEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3s2)cc1 5020624 GQOOQORTSNOPDG-ZVHZXABRSA-N 417.490 5.108 30 40 HKEB COc1cccc(N2C(SC)=N/C(=N\c3ccccc3)[C@]23CCOC(C)(C)C3)c1 5216963 QLARRAVGCGNKRK-ULRLVEHFSA-N 409.555 5.292 30 40 HKEB C=CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1 6022323 HIBSWNJTFGDCEN-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB C=CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 6500563 RTQFMIPFOMJTRD-UHFFFAOYSA-N 411.958 5.685 30 40 HKEB CCOc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1-c1ccccc1 7780324 ZJRXZOLMFLPIFT-UHFFFAOYSA-N 406.869 5.295 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 8450022 HIQUUIQJTKIKFE-JOCHJYFZSA-N 402.579 5.455 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2ccccc21 9422631 VIYAGVVIBJNMSD-MFKUBSTISA-N 409.485 6.165 30 40 HKEB O=C1C(=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)c2ccccc21 16525452 WCHCXUGZEZSVNU-UHFFFAOYSA-N 408.413 5.060 30 40 HKEB Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 21722480 QLHMCVXZXNYADJ-RUZDIDTESA-N 400.547 6.237 30 40 HKEB CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)CO 32840943 ZXNAIPHYBVMMPY-DHSLYTQISA-N 412.655 6.481 30 40 HKEB endogenous,in-man CC(C)CCOc1ccc(CN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)cc1 46085036 ATTOHXKROHVRKC-FVDSYPCUSA-N 413.521 5.475 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc(OC)cc2)cc1 59464316 AWVYQRSPEIAODH-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(Cl)c1 59475152 SRBAZAHRKNDBPW-AFUMVMLFSA-N 424.356 7.230 30 40 HKEB CCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O 73258138 VOJSRSKBOJBZEK-UHFFFAOYSA-N 406.607 7.132 30 40 HKEB biogenic C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 100840966 AEFXIBIKXVEEHM-FNBANUKLSA-N 410.546 7.359 30 40 HKEB CCCCCCCCCCCC(=O)c1ccc(OCCCCCCCC)cc1O 100934096 NXTVBDYMPZGMNE-UHFFFAOYSA-N 404.635 8.235 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OC 214534624 IWWJYGVDJIOZFI-KGENOOAVSA-N 423.534 5.367 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408737923 KCMMOGKSXUTBCQ-PCLIKHOPSA-N 424.386 6.453 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 408763396 NTBHCHYFMAXLBN-HZHRSRAPSA-N 415.562 5.857 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 408939981 SZDPSAQMJJGGFC-NVDFNMGOSA-N 422.528 6.359 30 40 HKEB O=C(O)c1cccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 409066986 OKUGXUXEHNHSEI-RMORIDSASA-N 419.315 5.018 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)C 409090636 MRYQPYAYCHRKEM-HSOLMKNUSA-N 410.583 6.317 30 40 HKEB CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O 826383 FWXJJUCJLFAWQI-MFKUBSTISA-N 401.466 5.416 30 40 HKEB N#CCCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 2642821 MSEDEKSHLGGJQY-UHFFFAOYSA-N 423.592 5.565 30 40 HKEB CC(C)NC(=S)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3272795 XFXKQLFYTQVTKG-YZSQISJMSA-N 412.562 5.504 30 40 HKEB O=C(O/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccs1 4619853 HOPHXGUAGUJVDF-LVWGJNHUSA-N 412.470 5.009 30 40 HKEB CCN1/C(=C\C=C2/S/C(=N\Cc3ccccc3)N(C)C2=O)Sc2ccccc21 4794147 JUMAFGGTWZCMQV-SRDPJFOASA-N 407.564 5.105 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1O 5005169 HHKSKLJJVJLJCV-FSJBWODESA-N 403.394 5.176 30 40 HKEB CCCC(NNc1nc2ccccc2c2ccccc12)=C1C(=O)CC(C)(C)CC1=O 5250101 XAALTPSGKZOLTC-UHFFFAOYSA-N 401.510 5.317 30 40 HKEB Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 6044202 NSRCRDACHIXIQB-QGZVFWFLSA-N 405.567 5.673 30 40 HKEB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 6376501 AHRXARQLQJSUMP-WYMPLXKRSA-N 402.277 6.569 30 40 HKEB C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nc2ccccc2c1=O 7060420 VODAEFMWVYVSOF-UHFFFAOYSA-N 409.511 5.137 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 9485773 JOXYIUZHTRIILY-MYKKPKGFSA-N 400.430 5.227 30 40 HKEB CCCCCOc1c(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cccc1OC 17145893 ASFXLIFRUHRUIP-TXDBTXQPSA-N 424.566 5.888 30 40 HKEB CC[C@@H](/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C 17193972 KVPXFJKDHHAEGO-OLQVNIRXSA-N 421.759 6.619 30 40 HKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1Cl 32931752 JNSWKBSOENIPBG-KNQAVFIVSA-N 404.922 5.651 30 40 HKEB Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3cccc(Cl)c3)nc2c1C 35310894 VHNMJXBKPSVUDZ-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB CCCn1nccc1/C=C1\C[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 36619599 JCOSBAWMYWWBFV-HPHSGVLCSA-N 404.554 5.420 30 40 HKEB CCCCCCCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 59722875 CLIYYVRJIZTAAD-UHFFFAOYSA-N 409.979 5.558 30 40 HKEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 100439778 ZXBSQTUOBKHKQB-NHFXJNLRSA-N 424.283 5.620 30 40 HKEB CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 100503522 SMUXPRLRWPVDDT-HSZRJFAPSA-N 400.644 6.315 30 40 HKEB O=C(/C=C\Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1 100662219 JJKGQAVTIPTFKI-PFONDFGASA-N 406.279 5.489 30 40 HKEB CCCCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 100933913 ZFQPAWPHYVDOAN-IMVLJIQESA-N 411.586 7.113 30 40 HKEB CCCCCCCCCCC(CCCCCCCCCC)[C@H]1C[C@H](C)CC[C@@H]1C 104145422 UPYOZECJBFFKFT-XQFUHLNNSA-N 406.783 10.737 30 40 HKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc2ncccc2c1 137408328 PPLCHVAFTLRYAY-NDZAJKAJSA-N 407.561 7.441 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl 408775918 WSVGZZVQWWVBBG-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c(C)c1 408844638 CRPIXWSJYUSVOH-SHSCQTOKSA-N 424.541 6.079 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408912945 MHAWMWDQECMSLW-LBMUFILHSA-N 408.567 6.044 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1Br 408913899 VXNKKZZBKZJURQ-UHFFFAOYSA-N 406.279 5.319 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(Br)s2)S1 409244905 KFOFRHSGJVVNHE-KPKJPENVSA-N 413.749 5.364 30 40 HKEB Fc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1 1922494 OVXUEMFGEKCHAO-FGZXAJGVSA-N 421.269 6.812 30 40 HKEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2cccc(C)c2)cc1 3398854 GLMFDYNFVUXFAH-UHFFFAOYSA-O 401.964 5.357 30 40 HKEB Cc1c2cccc(Sc3ccccc3)c2c2c3c(cccc13)[S@+](c1ccccc1)C2 3954451 DHFNUGQPYQDNMG-PMERELPUSA-N 421.610 8.003 30 40 HKEB in-vitro O=C1CCCC2=C1[C@H](c1ccccc1)c1c(O)nc(SCc3ccccc3)nc1N2 4194143 GTAIHGFBDAHXDF-IBGZPJMESA-N 415.518 5.039 30 40 HKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C/C1=N\Nc1ccccc1 5104034 ZXQLPFHZTSVVFY-LISWHPGLSA-N 414.552 7.509 30 40 HKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 5149222 ZDIVRSDCZMTNBW-UUYOSTAYSA-N 410.828 5.683 30 40 HKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)cc1 5682440 QOOPOBPUSJSGBW-AWUWXFTQSA-N 401.509 7.333 30 40 HKEB COc1ccc(/C=N/Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 8857334 NPFUFHOHHODNSC-YCPBAFNGSA-N 414.309 5.122 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 9089462 JYDZQZHRGYRQGT-NRFANRHFSA-N 403.865 5.431 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(Cl)c1 9879486 IOUMTGLQBNLGFM-RWPZCVJISA-N 422.359 6.429 30 40 HKEB O=C1/C(=N\c2ccc(Oc3ccccc3)cc2)c2ccccc2N1CN1CCCCC1 12376802 VBBWEQSEMRLRAK-RFBIWTDZSA-N 411.505 5.390 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C\c4cc(Cl)cc(OC)c4O)ccc3O)nc2c1 16162193 FPWMMTMMCDBFNV-ROTLSHHCSA-N 422.868 5.881 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@H]2c1ccc(Cl)cc1Cl 17173024 LOHHERLGJHQIKL-ZDUSSCGKSA-N 422.337 5.352 30 40 HKEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 19894275 WHDIGURMFDURHY-VWLOTQADSA-N 420.528 6.015 30 40 HKEB C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 33324470 HSVFGQFKQOXFHE-GJZGRUSLSA-N 411.889 5.521 30 40 HKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O 33347594 BKHDTODHZWUOBR-WMOWQXFYSA-N 416.502 5.600 30 40 HKEB C=C[C@]1(C)C[C@]23C[C@H]([C@H](OC(=O)c4ccccc4)c4ccnc5ccccc45)N2CC[C@H]13 58482532 AUSOAUVQJQLTDO-ZVXUPVLPSA-N 424.544 5.562 30 40 HKEB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C(=O)[C@H]21 101506417 IRZSCNFOEAMGDU-VSIJYNSNSA-N 422.594 5.253 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)SC1=S 223584869 FYLRIVNTJBCITK-CCRNYGKSSA-N 400.613 5.494 30 40 HKEB N#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408912899 MCVFNNIRRYYSAV-QQXSKIMKSA-N 415.518 5.532 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408935264 CLCFOUFJHUFPAY-AUQWLOBBSA-N 424.544 6.671 30 40 HKEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OC)c1OCCC 409069608 WICUDKYYPHDJED-UHFFFAOYSA-N 422.521 5.341 30 40 HKEB C=CCOc1c(I)cc(CNc2ccccc2C)cc1OCC 409116029 LEJOMJJEYDFTML-UHFFFAOYSA-N 423.294 5.175 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 409214065 XMLQIXWCUIGAEN-WSDLNYQXSA-N 410.739 6.349 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 409216634 MUCLZYRHWBOAIR-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1ccccc1/N=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409387593 RQYFHPYZGJKRFN-QQXSKIMKSA-N 402.494 5.470 30 40 HKEB COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC[C@@H](C(C)(C)C)C2 756947 DEQCKRPLMSUCBS-CYBMUJFWSA-N 400.569 5.098 30 40 HKEB CCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccccc2Cl)c1C#N 2230291 IBEBBWMISWGVSG-UHFFFAOYSA-N 421.953 6.337 30 40 HKEB COc1ccccc1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3182479 VQDKDZUSTPOKGO-ZTKZIYFRSA-N 402.497 7.057 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C1CC1 3262270 SQZSUZOQNSTZIP-BOKVAXDPSA-N 421.566 5.043 30 40 HKEB Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)c1 5485701 LUVRYCGDLLUSQL-UHFFFAOYSA-N 416.937 6.060 30 40 HKEB COc1ccccc1/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1 8991043 LVHKPEXNVWTOFG-JXAWBTAJSA-N 415.445 5.277 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(C#N)c1 10119162 XEQKWLNXKYMQQN-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409760 ZHDRTMLJWBXZSE-QGZVFWFLSA-N 424.547 5.285 30 40 HKEB CCCCCCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 97949451 DJCWEZIDRLZMCS-UHFFFAOYSA-N 404.683 7.346 30 40 HKEB CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O 102241471 FWIUMJHHSRVLFX-UHFFFAOYSA-N 407.562 5.757 30 40 HKEB CCCCCCCCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 102498121 KSBISEAEMAXWRI-UHFFFAOYSA-N 410.489 5.459 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 102568164 YDMDYZUVLOSARY-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB CCCCCCCCCCCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 102999425 WLSAKSFLTUSNLC-RUZDIDTESA-N 418.581 6.544 30 40 HKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c(C#N)c1 225845070 JGQZOBCWKKSSGG-UHFFFAOYSA-N 402.579 5.933 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408531865 MOVMMZRPYTYXQN-PDGQHHTCSA-N 414.914 5.113 30 40 HKEB CCc1ccccc1/N=C1/S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1C 409165399 XTSQUAQFMRONTH-ASAQIREPSA-N 403.551 6.018 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409211970 LBONQPRAGPUDAO-MTDXEUNCSA-N 423.468 6.507 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409216169 IHNCPWHLHNLKOV-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C#Cc4ccccc4)=CC[C@@H]32)C1 2049238287 CKXFHIVEFDOLKD-BMGWUDNWSA-N 416.605 6.549 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ncccc32)c(OC)c1 1078367 GQQQZVVFDHVAIW-QHCPKHFHSA-N 414.505 5.453 30 40 HKEB COc1ccc(CCNc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1 2421627 CCXCJBGAKGWQHN-UHFFFAOYSA-N 418.280 5.095 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccccc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 3082732 FYPQMYHZJXWBCQ-FSJBWODESA-N 415.232 5.871 30 40 HKEB Cn1c([C@@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)nc2ccccc21 3221913 QIBPSWNISXNPIB-FQEVSTJZSA-N 402.457 5.279 30 40 HKEB N#Cc1c(NC(=O)/C=C/c2cccc(Br)c2)sc2c1CCCCC2 3310944 RZWCVGDEJJKBLS-MDZDMXLPSA-N 401.329 5.303 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1/C=C/C(=O)O 4028896 PAZTXOBRMGJBBL-JKHBCSJDSA-N 400.515 5.262 30 40 HKEB biogenic CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc1 4679611 OKUYOOWXOGRRMN-YKQZMZHDSA-N 408.523 5.123 30 40 HKEB O=C1/C(=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)Sc2ccccc21 6864675 QANAJPNDOZEMIC-WSVATBPTSA-N 407.705 7.236 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1N2 12652137 TUNZEGFDZSCUPR-HSZRJFAPSA-N 418.880 5.754 30 40 HKEB N#Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 13403134 OMBKGCHLHBHHMG-NXZHAISVSA-N 422.400 5.587 30 40 HKEB CCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1OCC 16938396 WBSTXIVUFBVNSU-KOEQRZSOSA-N 423.582 6.614 30 40 HKEB O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 17145731 RDUZMAKMZTYQLF-NJMAKWBESA-N 412.942 5.982 30 40 HKEB c1ccc(/N=C2\Sc3nc4cccc5cccc(c54)n3\C2=N\c2ccccc2)cc1 18127909 DXLHLMAHDYNHRB-YZYVWJRPSA-N 404.498 6.604 30 40 HKEB Fc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4)cc3)n2)cc1 31854565 OJCIEGHSUYSKLO-QFEZKATASA-N 403.482 5.974 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OC(F)F)C1=C(CCCC1=O)N2 95950901 HCOXYQWOPIAZMH-OAQYLSRUSA-N 421.447 5.347 30 40 HKEB C[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1ccccc1F 215717822 VSPKXYJQVCWFGQ-XHCMJAMOSA-N 413.905 5.744 30 40 HKEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccc(Cl)cc1 223668384 CBCKCUUNZLHQSB-UHFFFAOYSA-N 401.322 5.120 30 40 HKEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl 408783382 OJRXYFYWKKHKLC-RIYZIHGNSA-N 413.713 5.547 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408844107 HAJKRURJLZOOBR-FYHAJLKWSA-N 409.371 7.121 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 408858097 JMLZAZZIPBXEAI-JAIQZWGSSA-N 422.941 5.343 30 40 HKEB COc1cc(/C=N\c2ccc(Cl)cc2O)ccc1OCc1ccc(C(=O)O)cc1 408968436 YVACPRFTESOHIB-MSXFZWOLSA-N 411.841 5.082 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O 409005599 FLLHBJMBALJMAZ-PXLXIMEGSA-N 418.518 5.529 30 40 HKEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409060900 ABWJCEISKADWRL-BOPFTXTBSA-N 404.274 5.246 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409077785 GUJCHZFHELSZBD-PGMHBOJBSA-N 414.892 5.739 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1cccs1 1079530 OVUFJQSFOHPFKY-HNNXBMFYSA-N 419.468 5.931 30 40 HKEB C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccccc3)c2c1=O 1094039 JUIVWYWZUPWOCG-UHFFFAOYSA-N 409.536 5.208 30 40 HKEB COc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3n2)cc1OC 2625040 BWWGIWLQWPDJNV-UHFFFAOYSA-N 409.445 5.043 30 40 HKEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2Cl)o1)CCCC3 3218834 ZKUYOSLYTLOORW-BHGWPJFGSA-N 409.898 5.132 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 3666558 KSYMJHZESAEYSZ-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB C=C(C)CN1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)CC1 5325412 HHXKQVBFKXFIEI-UHFFFAOYSA-N 423.564 5.070 30 40 HKEB CCCC/N=c1\scc(-c2cc(OC)ccc2OC)n1N=C1CCCCCCC1 6426593 VRYXQQYDROZLOG-VHXPQNKSSA-N 415.603 5.883 30 40 HKEB CCCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119065 YTZIQFDPEWCDJX-WSDLNYQXSA-N 411.727 5.024 30 40 HKEB CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC 70664852 CVLLHCKELSRMOR-RPWUZVMVSA-N 419.606 5.862 30 40 HKEB biogenic N#C[C@H](C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 95356489 ABBPNROWYOAELU-UTUOFQBUSA-N 420.378 5.860 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1 100284799 CFKGCKLGBTYICF-UHFFFAOYSA-N 403.651 7.443 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccc(F)cc1 223679159 WJQHQATZKVLFAB-UHFFFAOYSA-N 419.312 5.259 30 40 HKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(F)cc1 408779694 HZSQPNJJLBHIFZ-FOKLQQMPSA-N 405.698 6.400 30 40 HKEB Fc1cccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)c1 409030986 GBRRWYCFGBTQLK-WMDMUMDLSA-N 412.280 5.119 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1 409186468 CJOPKCWYGALFAD-JCMHNJIXSA-N 417.534 5.384 30 40 HKEB O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)Sc2ccccc21 409325095 WRKIYEMJTOLYQR-FOKLQQMPSA-N 419.908 6.812 30 40 HKEB COC(=O)c1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1 2099245 QWXMIUQQBUNWEP-UUYOSTAYSA-N 420.848 5.322 30 40 HKEB biogenic COc1ccc(C(=O)Nc2c(C#N)c(-c3ccc(Cl)cc3)nn2C(C)(C)C)cc1 4060159 PTHVJOQLPIWLDA-UHFFFAOYSA-N 408.889 5.091 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4646550 OVVAPQRPOPJFOE-GVMKUJSRSA-N 410.627 6.316 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O 4910542 ZRFVKKXZPIODTB-NRFANRHFSA-N 417.553 5.014 30 40 HKEB COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1 5555392 GJWSRBHOPOVHAO-CJLVFECKSA-N 413.473 6.047 30 40 HKEB biogenic O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl 5649212 CWOGNZLFLRLJAZ-JYRVWZFOSA-N 417.719 7.122 30 40 HKEB Cc1ccccc1/N=C1\SCCCN1C(=O)c1oc2c(ccc3ccccc32)c1C 7191685 AKEZVWOGSUYBNQ-QPLCGJKRSA-N 414.530 6.470 30 40 HKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/C=C/c1ccccc1 8272675 YNTDQAZWAHXOBK-NVXXTVOZSA-N 409.916 7.316 30 40 HKEB O=C(/C=C/c1ccc2cccnc2c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 9089833 ZOTKFBWPQIKPLK-FYWRMAATSA-N 402.453 5.639 30 40 HKEB CCOc1cc(/C=N/n2c(-c3ccco3)cs/c2=N\c2ccccc2C)ccc1O 12644138 SWIKLBDXGAVPIO-ROBZNLLGSA-N 419.506 5.337 30 40 HKEB COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 13775330 XLVDXSREVDJZQT-STZFKDTASA-N 421.905 5.825 30 40 HKEB FC(F)(F)c1cnc(N/N=C\c2ccc3noc(-c4ccccc4)c3c2)c(Cl)c1 29763930 PCZWBCHRCTZIAP-KALUYTGESA-N 416.790 6.008 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc4ccccc4n3)c2C)cc1 59427386 LNYAGKUDPZMIBV-WGOQTCKBSA-N 412.493 5.265 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(C=O)cc1 59663665 DFFAYEKWNFNJDR-QZQOTICOSA-N 400.603 7.537 30 40 HKEB COc1ccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)cc1Cl 72228729 WPNUWMRTMHVUMP-UHFFFAOYSA-N 416.934 5.635 30 40 HKEB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)S/C1=N/c1ccc(C)cc1 101510518 CJWNZLNBUZZUNA-HLTANSAUSA-N 402.519 5.781 30 40 HKEB CC/N=c1/scc(-c2cccc(C(F)(F)F)c2)n1/N=C/c1ccc(OCC)cc1 103457520 VLIYULYRVKUSAU-FGPKQPKPSA-N 419.472 5.437 30 40 HKEB CCCCCCCCCCCCN(CCCC)CCCCCCCCCCCC 104061214 AAYBEEVEVAWXAI-UHFFFAOYSA-N 409.787 9.930 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2C(C)=CC1(C)C 198159461 MNRJONMRTLIXHP-OVVQPSECSA-N 403.570 5.604 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217478409 PXKXUBYATLLJIS-PPJWLVRDSA-N 424.690 5.978 30 40 HKEB Cc1ccc(C(=C\c2ccccc2)/N=c2/sc(C#N)c(N)n2-c2ccccc2)cc1 226851382 ALANHSVKXSWEAH-RFZUPXKPSA-N 408.530 5.400 30 40 HKEB O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1Cc1ccccc1 408910888 MANFXTWARVFXMO-LISDSOCTSA-N 420.921 5.850 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 408916006 SWGSCLGCSALGCP-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(C2CCCCC2)c1 408970266 DXJRTCVUTPZGSQ-PCLIKHOPSA-N 420.538 6.602 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409060623 VOPZKNYWCBGJHC-PDGQHHTCSA-N 401.871 5.154 30 40 HKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 409212829 RGFLTXQLSMOAHJ-CFRMEGHHSA-N 414.730 6.741 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(OC)cc1 409228424 ABVFTMKDFDUSIQ-HWWZFDGNSA-N 417.328 5.082 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3OC)cc2)cc1 409228922 HFHNTYWXNYOEDJ-NLRVBDNBSA-N 418.493 5.083 30 40 HKEB Cc1ccc(CO/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1 3299676 XFPQCDQSFDRSGV-TWKHWXDSSA-N 416.524 7.157 30 40 HKEB CC(C)(C)c1ccc(CN2C(=O)CS/C2=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1 7715786 TURYEPAIFIGRKY-IWIPYMOSSA-N 421.606 6.081 30 40 HKEB Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sccn23)cc1 8782170 DGGZCDSZQOHULA-ZHACJKMWSA-N 423.335 6.030 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1C 8821109 IJLFKROORICQML-UDWIEESQSA-N 419.462 5.363 30 40 HKEB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)C1 12418914 PVHJQTDALXFTSU-GASCZTMLSA-N 411.889 5.521 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)cc1 13059488 VRNXYHJCUGFILR-BEIQUOEZSA-N 423.563 5.164 30 40 HKEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 13831694 IKLPJEZDIFNJFU-IAGOWNOFSA-N 421.928 5.928 30 40 HKEB CCCOc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 13940939 XGOGLOWKTNVKDQ-RRAHZORUSA-N 411.549 5.197 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCc4ccccc43)c2C#N)C1 14217243 UDPWELIBHJHCSN-QGZVFWFLSA-N 407.583 5.162 30 40 HKEB Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)c1 15826323 SUFNSSXPHIUIHZ-SANMLTNESA-N 412.533 6.405 30 40 HKEB COc1ccc(/C=N/n2c(-c3cccs3)cs/c2=N\CCc2ccccc2)cc1 15979877 NQUXRWOWTWDQAC-HUBBZMOGSA-N 419.575 5.312 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 18068349 QCJZIGMFCBTQLH-MYYYXRDXSA-N 419.506 5.216 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 59459523 BECWJQPEKVCEPG-PSQINSSGSA-N 403.913 5.107 30 40 HKEB Cc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1NC(=O)c1cc2ccccc2o1 102420063 OIJSWFVEFIDWEP-LQKURTRISA-N 420.468 6.603 30 40 HKEB CC(=O)C(C(C)=O)C1=C/C(=N\c2cccc(C)c2)c2c(O)c3ccccc3c3onc1c23 102516083 RUQPXVCQUKFKSX-NHFJDJAPSA-N 424.456 5.307 30 40 HKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224737353 KKZHBHFBNJQXKZ-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)n2cc(C#N)c3ccccc32)o1 226362412 DYMXAAZPKJNWGT-DHZHZOJOSA-N 413.389 5.043 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 408854138 YHSKSJXXOAZVGM-UCQKPKSFSA-N 405.479 5.538 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408912795 LVAHTIHYKRRMHI-QJJRQKBHSA-N 411.483 5.011 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)ccc1OC 408915340 XRATXVIFDVNLNZ-NRYATJGXSA-N 424.566 5.805 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2cccc3ccccc23)nc1 409085554 DIOSIFJXVQYBDV-IPPBACCNSA-N 421.422 6.279 30 40 HKEB N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2 2083739 GPNHRHAOIDXUPM-UHFFFAOYSA-N 400.956 6.399 30 40 HKEB C=C(C)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 2383992 ZNGBAOIPQCPIKO-UHFFFAOYSA-N 424.620 5.788 30 40 HKEB Clc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3o2)cc1 3102949 XWOFEKBWXWAGGX-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB CCOc1ccc(N2C(SC)=N/C(=N\c3c(C)cccc3C)C23CCCCC3)cc1 4784949 DTPNMVUAVLPSLC-RWEWTDSWSA-N 421.610 6.674 30 40 HKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@H]1CCCO1)N(C1CCC(C)CC1)C3 4969528 BIQUWPVYQHIKBB-NAPNDLIJSA-N 423.626 5.873 30 40 HKEB COc1cccc2cc(-c3csc(N/N=C/c4ccccc4Cl)n3)c(=O)oc12 4980086 AXTHDGCRYXMDAK-LSHDLFTRSA-N 411.870 5.025 30 40 HKEB CC(C)c1ccccc1-n1c(SCC#N)nnc1-c1ccc(Cl)cc1Cl 5657465 ZITNMOYDNAUANK-UHFFFAOYSA-N 403.338 5.980 30 40 HKEB CCCCCCCCCCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 8443553 KDWRBKCNWUALJJ-UHFFFAOYSA-N 423.420 7.042 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(F)cc1 12564714 ZOHLJXOCURKRQT-NTCAYCPXSA-N 408.432 6.321 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1 13768918 URSMUJPDMVUPAI-KSEXSDGBSA-N 406.409 5.038 30 40 HKEB C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 14091441 AXGHACICAIXITA-UHFFFAOYSA-N 400.345 5.110 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 19315222 HIHKHRNPBLIRHA-GOSISDBHSA-N 408.325 5.161 30 40 HKEB OC1=NC(=N\c2ccc(OC(F)(F)F)cc2)/C(=C\c2ccc3nccnc3c2)S1 95479981 MRJWPWHKMZRIRU-MHWRWJLKSA-N 416.384 5.260 30 40 HKEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1Cl)c1ccccc1 101571191 IBHIMCIDQYGNIT-OAQYLSRUSA-N 404.922 5.153 30 40 HKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl 409209072 FIKBDONMENRBBV-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC 409210643 KMGGQLNEIQDSOF-FLOSOGMCSA-N 422.594 6.267 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1Cl 409211642 MJFGMGZEEZIEJR-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409213786 QVIKSRIMDBAARG-DHRITJCHSA-N 416.355 6.165 30 40 HKEB Fc1ccc(/C=N/c2csc3nc(-c4ccccc4)cc(-c4ccccc4)c23)cc1 1872273 BCCHTWGVHYUMSP-LQKURTRISA-N 408.501 7.520 30 40 HKEB N#Cc1c(Cl)nc(NNc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl 2297416 KEXQZVCTJAATRD-UHFFFAOYSA-N 403.525 5.048 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1ccc(Cl)cc1 3075026 AULDLKSMIGKIKB-YZSQISJMSA-N 420.896 5.146 30 40 HKEB Cc1ccc(Sc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C#N)cc1 3104517 XTKJIKMMDUDWSG-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1 5478729 HNHYPCJHRPKJQV-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N\c1ccc(OC)cc1 5673173 SAHAFMLNIMLRTA-GRSHGNNSSA-N 413.109 5.370 30 40 HKEB Cc1cccc(C)c1NC(=O)O/N=C(\COc1ccccc1[N+](=O)[O-])c1ccccc1 5943041 OQLAJFKANZJUDP-NCELDCMTSA-N 419.437 5.243 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2)cc1 7496177 AMQNIPXNHBQKFB-IBVKSMDESA-N 405.501 5.760 30 40 HKEB Clc1ccc(OCc2ccccc2Cl)c(/C=N/NCc2ccccc2Cl)c1 8811770 NLMUDQVKCHQNFU-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB Cc1c(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc2n1C 59250444 OJDJDCDZTWGVHU-VCHYOVAHSA-N 416.333 5.685 30 40 HKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cccc5ccccc45)cc3)[C@H]2C1 59471680 NSRDOBGLWZDKTE-KZYSEAEVSA-N 400.525 7.417 30 40 HKEB N#CCCSc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 95944784 IRYRIKMJQHDFCN-QFIPXVFZSA-N 404.560 6.164 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N\NC(=S)Nc2ccccc2)c1O 104276364 JGTJKFGCJPSLTI-BTRCZGFISA-N 405.483 5.137 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)/C(=C\O)C[C@]4(C)[C@H]3CC[C@@]21C 118925268 PFDDSGLPIFLJTA-OFJNMZOGSA-N 412.658 7.649 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1COc1ccccc1 223681076 ADZSCDLEXQMNBW-UHFFFAOYSA-N 417.321 5.109 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@H](C(C)(C)C)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 245297254 RWWPLANHRNFNMR-HGKMIYOJSA-N 414.633 8.426 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408542348 LACXORKZALNRBD-YSURURNPSA-N 422.824 5.083 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1C 408878134 WUMBFJBEHMJIRC-LBNOWXFCSA-N 420.578 6.186 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)c1 408966282 LDBLPCJJNQSVFJ-AFUMVMLFSA-N 404.466 5.028 30 40 HKEB COC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c(C)c1 409116832 LXLPJKOZGGQYLP-DHRITJCHSA-N 404.491 5.604 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 409208531 GOUFRIOITWOHSJ-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)cc1 409209426 BMBXQEPVUZTWIC-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccccn1 409232488 IOOQKBUXFWFPKL-WQRHYEAKSA-N 408.914 5.034 30 40 HKEB O=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)Cc2ccccc21 409371090 FXOAKURPLIPQIN-QGOAFFKASA-N 418.323 6.819 30 40 HKEB CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 853774 IUMIDXWISZLMOC-QHCPKHFHSA-N 424.585 5.088 30 40 HKEB COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 1431117 XMUFPERYQCKPPY-WPWMEQJKSA-N 409.441 5.596 30 40 HKEB Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(Cl)cc2Cl)cc1 3104433 HXVHNRBJJPKKSZ-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB C#CCn1c(SCc2cccc(Cl)c2)nc(-c2ccccc2)c1-c1ccccc1 4023650 MCUCXBTYLKWOOA-UHFFFAOYSA-N 414.961 6.796 30 40 HKEB COc1ccc(/C=N/N2CCOCC2)cc1COc1cc(C)c(Cl)cc1C(C)C 4824998 AACWZGBSBLOUHI-AFUMVMLFSA-N 416.949 5.026 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccc(Cl)cc1Cl 6077144 XTERCXBFWUVQFD-QHCPKHFHSA-N 423.343 6.851 30 40 HKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)cc1 6732521 JPCNAAMDVDHYMV-NRFANRHFSA-N 420.900 5.019 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 8821084 SFNUBTJTJJYKMV-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Fc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196757 VFWVBQXHBKHIHM-BRJLIKDPSA-N 403.284 5.835 30 40 HKEB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sccc3C#N)[C@H]2c2cccs2)cc1 9245650 LLMUQFQNDADQHN-XLIONFOSSA-N 421.547 5.113 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c2ccccc21 9423173 OBMBWJQBNAPZJI-MZJWZYIUSA-N 423.512 6.473 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 13758082 UQKNDOFXAYIFCX-YVNNLAQVSA-N 410.828 5.683 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)o1 13786720 SJCVMZGCXZKARN-JAIQZWGSSA-N 411.251 5.546 30 40 HKEB Cc1ccc(NC(=O)Cc2c(/N=C/c3ccc(O)cc3)sc3c2CCCC3)cc1 17082973 MZMDANCGCJXJSK-MFKUBSTISA-N 404.535 5.573 30 40 HKEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1OC 20195675 QSRJLZHSSHLIIB-CVKSISIWSA-N 410.901 5.060 30 40 HKEB C[C@]12CC[C@@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915023 YRJDKDJYIUMOKX-SZBPQHIQSA-N 420.593 5.354 30 40 HKEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 408737072 HMHZIHPOENQEGY-MFKUBSTISA-N 413.502 5.784 30 40 HKEB Clc1ccccc1/N=C\c1cc(Br)c(I)o1 408949226 ACJAQJDYGWJVNA-UUASQNMZSA-N 410.436 5.051 30 40 HKEB Cc1cc(C)c(COc2ccc(-c3c(-c4ccccc4)cnc(N)c3C#N)cc2)c(C)c1 408980904 UFEASJFQPGBDGZ-UHFFFAOYSA-N 419.528 6.374 30 40 HKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409316734 QTZRPSCRDLVDFR-UDWIEESQSA-N 420.446 5.510 30 40 HKEB Cc1c(Cc2ccccc2)sc(/N=C/c2ccc(Br)s2)c1C(N)=O 671967 HNHXIZFLIURXEM-UFFVCSGVSA-N 419.369 5.321 30 40 HKEB CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 780214 XGGIJLNZIJBNKQ-UHFFFAOYSA-N 407.554 5.401 30 40 HKEB O=C1CCCC2=C1[C@H](c1c[nH]nc1-c1ccc(F)cc1)Nc1ccc3ccccc3c12 1102601 HAPQAWBIISNXAD-SANMLTNESA-N 409.464 6.042 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 2766879 JNQSIZGRAFFOAE-HNNXBMFYSA-N 420.534 5.520 30 40 HKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 4367222 ZEPZCROSHUGCJQ-XCZPVHLTSA-N 424.544 6.617 30 40 HKEB CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820488 SMTNXUFYEIQNSJ-UHFFFAOYSA-N 421.740 6.441 30 40 HKEB N#C[C@@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 36249997 NFJDLFJJBCGKDP-GOTSBHOMSA-N 416.322 5.865 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccc(F)cc1 83315450 KQPULMWPMVXJFJ-STZFKDTASA-N 404.466 5.296 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC 85836408 NCSMRDAYUUPTTK-UHFFFAOYSA-N 410.727 9.542 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 97951487 FHADHGFDJWPLHI-UHFFFAOYSA-N 413.656 7.133 30 40 HKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 102403985 GSGSVRAOGNHSOJ-UHFFFAOYSA-N 407.620 6.663 30 40 HKEB CCCCCCCCn1c(-c2ccc(Cl)cc2)nn(CN2CCOCC2)c1=S 102609552 NNHNYFCWJSDZMX-UHFFFAOYSA-N 423.026 5.385 30 40 HKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 109503030 LQADDVQEOYLGSP-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB CN(/C=C1/C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)CC1=O)c1ccccc1 118929419 BFJVQHDAYWRUQQ-LVWSYBDDSA-N 421.625 5.979 30 40 HKEB Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408892132 BGRONHPIURQEPK-JCMHNJIXSA-N 400.503 5.466 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1OC 408980387 WCEZDMWTXWQDPG-MFKUBSTISA-N 406.551 6.626 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 409084513 WSUAMDHIGDXZJP-PDGQHHTCSA-N 407.828 5.403 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409215528 AOTYOBYJGSXYSP-CVKSISIWSA-N 402.494 5.389 30 40 HKEB Cc1cc2nc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)oc2cc1C 1433521 XFAYXDDJRXZSOL-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 1434724 XRQFXOGDPUKNJS-SIBVEZHUSA-N 414.936 6.628 30 40 HKEB COc1ccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 4409865 LLXYPXSSHGNEJA-AUEPDCJTSA-N 411.836 5.937 30 40 HKEB CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(F)c(F)c1)C1=C(CCCC1=O)N2 4948368 ADLHNBGNKLVUHT-QGZVFWFLSA-N 403.450 5.076 30 40 HKEB COc1cc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC 5033906 XOWDWMIWQXTRSL-AQTBWJFISA-N 415.445 5.277 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)cc1 5751309 VBBMGKSXUZMDLM-JOCHJYFZSA-N 403.913 5.707 30 40 HKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)o1 8844555 WPJFPLRZXDAPGC-UHFFFAOYSA-N 411.461 5.256 30 40 HKEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1 13681363 CJXWUSFJAOKMRV-YHRJSEKKSA-N 415.892 5.279 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccc4c(c3)OCO4)cc2Br)cc1 15228996 JMJQIPGCBWOGHS-UFFVCSGVSA-N 416.296 5.981 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S1 18094224 ANALGJDPODAEQV-UNOMPAQXSA-N 409.898 5.036 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3)c(C)c2s1 72228605 BSEAUMKLLGLEBG-MSXFZWOLSA-N 400.935 6.017 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100729840 AACVHOJFBPWOJG-OTNCWRBYSA-N 410.663 5.588 30 40 HKEB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CC[C@H]2O[C@@]23C)c1 101594760 CSMZFWICBSTSSS-HNWKFBAGSA-N 414.542 5.090 30 40 HKEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650608 UWOVWVRPJABDLO-SMIQVMJNSA-N 409.555 5.017 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 102616166 IXXZHWNSIRWGOO-JBCNATCCSA-N 421.855 5.414 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cc(C)ccc1/N=N/c1ccc(C)cc1 104164466 YINCINAEYIJYOE-ZQHSETAFSA-N 407.602 8.578 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 107717139 KJOWUJKRLPULMZ-AUEPDCJTSA-N 409.751 5.973 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225932928 NIIWPBGESNVBDQ-UHFFFAOYSA-N 401.506 5.400 30 40 HKEB CCOc1cc(/C=N\O)cc(Br)c1OC(=O)c1cccc2ccccc12 226364847 ZCLYBVXTYOYCCK-UUYOSTAYSA-N 414.255 5.028 30 40 HKEB CCOc1cccc(/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 408968473 ZFWLHXKQPPJVJW-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Br)cc3)c2C#N)C1 409080647 IWJZPYLSXGYFMM-XMTZNVEYSA-N 401.373 6.284 30 40 HKEB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c2ccccc21 409204398 GRVZTRXKMYWICX-BUVRLJJBSA-N 403.485 5.468 30 40 HKEB C=C(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)O[C@H]1c1cc(Cl)ccc1OCC(=O)O 2037879612 HGQFLITXISJRKJ-LQBOVUBWSA-N 421.320 6.242 30 40 HKEB COC(=O)c1ccc(COc2ccccc2/C=N/c2ccc(C)c([N+](=O)[O-])c2)cc1 3240155 PJZZOUPVIZGTCL-ZVHZXABRSA-N 404.422 5.019 30 40 HKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1 4356686 GQWCZZVWWKVABH-UHFFFAOYSA-N 412.518 5.415 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3O)nc2c1 4756492 ZVVQAFQECJXCIZ-FSJBWODESA-N 403.394 5.127 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 5093637 HUMGFHGTBBTWAL-GPEOYYQRSA-N 419.525 5.613 30 40 HKEB Cc1ccccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 8570916 BYVKFINHTPBAMD-DHRITJCHSA-N 400.356 6.465 30 40 HKEB Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3n2CCS3)c(Cl)c1 12338518 SFSRKURQYUVABX-SSDVNMTOSA-N 404.322 5.513 30 40 HKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 13540119 XUTODODFEYBXRN-QQAHGDJHSA-N 414.432 5.728 30 40 HKEB Cc1ccc(C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)c2nc3ccccc3o2)cc1 13552363 JXZIRUBWCWVQKK-SFQUDFHCSA-N 408.284 6.867 30 40 HKEB C=CCn1c(SCc2c(F)cccc2Cl)nc2sc3c(c2c1=O)CCCC3 13748982 MQRSWCWDZMKXCU-UHFFFAOYSA-N 420.962 5.608 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1 13779163 LTHWPDSPZDELJY-FMCGGJTJSA-N 406.409 5.038 30 40 HKEB COc1ccccc1C(=O)N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 36612721 ATLGKCBVTFXXRP-UHFFFAOYSA-N 419.484 5.572 30 40 HKEB C#CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 96999858 YNVLMLBYGLJWAI-SFHVURJKSA-N 423.944 5.022 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2)cc1 100283762 SIMFDEGLLZZDTQ-UHFFFAOYSA-N 412.574 6.407 30 40 HKEB COc1ccc(C(=O)O/N=C2/CC(C)(C)Cc3c2cc(C)n3-c2ccccc2)cc1 100920939 WDYGVPFAHZSFEP-ROMGYVFFSA-N 402.494 5.328 30 40 HKEB Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)n1-c1ccccc1 102945289 LNMCGFWHRDQMFB-JVWAILMASA-N 423.541 6.827 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccccc2F)cc1)c1sc2ccccc2c1Cl 408733602 LSQWVBISBPKMOP-DHRITJCHSA-N 409.869 6.664 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408910117 WHSXIMWFPXRJJU-FECVVERMSA-N 419.462 5.553 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408913357 QDTOUCPGVYTWPB-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O 409068411 GEGSHDPCPZPTIK-YBFXNURJSA-N 423.563 5.128 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201896 OZJANMXAMOSLPL-OEAKJJBVSA-N 421.409 5.753 30 40 HKEB Cc1ccccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409213964 VOTOPECOGJHIQC-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB COc1cccc(C(=O)COc2nc(-c3cccs3)cc(-c3ccco3)c2C#N)c1 1036647 HXNQZCJSHYDMFM-UHFFFAOYSA-N 416.458 5.212 30 40 HKEB Cc1nn(CCC#N)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12 2626458 CBWXAMRKEMQHMW-UHFFFAOYSA-N 412.459 6.387 30 40 HKEB CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)S/C1=N\Cc1ccccc1 4015099 GMUBYJOUBAQMEW-SZKCCIEUSA-N 421.591 5.495 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 4181662 DITRHTVVQVXPDB-WVCIYJCBSA-N 409.489 6.480 30 40 HKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 5603728 PZTBUAMRJVFTGV-OGLMXYFKSA-N 405.457 5.937 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccccc1OC 6076796 LVVNDASPWBDLOR-INIZCTEOSA-N 407.539 5.066 30 40 HKEB CCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC 6635722 LZVLFVXTMDBXLT-UHFFFAOYSA-N 423.553 5.307 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccncc1 14163680 DSKQCHKVZNUBBE-WHEQGISXSA-N 404.901 5.175 30 40 HKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc4ccccc34)N(C)C2=O)cc1C 15188449 TTYSKXFLUUMKQJ-LRJXLTTPSA-N 417.534 5.047 30 40 HKEB COc1cc(OC)cc(/C(O)=N/c2c(NC3CCCCC3)c3ccccc3oc2=O)c1 21155943 UPEICQSDQYEAQX-UHFFFAOYSA-N 422.481 5.191 30 40 HKEB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132670 CPZADMYVZMOQIM-WASCAKKMSA-N 419.550 5.022 30 40 HKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccc(Oc2ccccc2)c1 33789717 LNGSIGVZRPXGJK-TWKHWXDSSA-N 407.557 7.697 30 40 HKEB COc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1ccco1 98086863 UZFHFBWCIRTQKX-LSHDLFTRSA-N 405.237 5.304 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc21 223491180 MZKKUVJRKMRTQV-NDZAJKAJSA-N 424.588 7.948 30 40 HKEB C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 253389226 BJWJSOYJPSJWKC-BUSMBOMPSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro Cc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 409214473 XXKJFABUHFSQSQ-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1 2756729 JYFYOQWPDDIMGM-UAZDYKOFSA-N 403.825 6.472 30 40 HKEB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#Cc1ccccc1 4478259 NRUFSPVVXJCGNK-HNTGQZGLSA-N 409.573 5.907 30 40 HKEB COc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 5512350 POGALQHIBGYAMI-WYMPLXKRSA-N 415.276 5.711 30 40 HKEB C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCCCC2)cc1 5637424 ARFUOFKGQFCIKE-ZMOGYAJESA-N 411.764 6.258 30 40 HKEB COc1cc(C#N)c(/N=C(/NCc2ccc(Cl)c(Cl)c2)SC)cc1OC 5675320 IAENILYRZILAEP-UHFFFAOYSA-N 410.326 5.023 30 40 HKEB O=c1c2ccccc2nc(N/N=C/c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 5776114 SAGGHBCPWAVATQ-ZMOGYAJESA-N 409.276 5.139 30 40 HKEB C=CCn1c(COc2ccc(F)cc2)nnc1SCc1c(F)cccc1Cl 13846695 YJZZEKWSLDYZNZ-UHFFFAOYSA-N 407.873 5.267 30 40 HKEB C=CCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 14783730 FKLHAEWSNRLTHU-UHFFFAOYSA-N 412.283 5.185 30 40 HKEB Cc1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 17090972 OOSNPFRAJDDIOJ-VMPITWQZSA-N 417.317 6.455 30 40 HKEB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc(C#N)cc1)CC(O)=N2 32094529 CDNZHMVSRIEDPI-QGZVFWFLSA-N 405.454 5.443 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 70670131 CLAGILMPDRRMOU-VEPNZUSMSA-N 422.718 7.420 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(C(C)C)cc3)c(C)c2s1 72228588 OVDJEMDFRNOVOV-YSMPRRRNSA-N 408.571 6.487 30 40 HKEB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC3=C2C(=O)c2ccccc23)cc1 102930123 RJUSCLCKSYZBEZ-CJFMBICVSA-N 417.508 6.531 30 40 HKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224714015 OCUIVQPJRXQXJU-UHFFFAOYSA-N 410.244 5.394 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408868740 BAPKPYICNJAOQQ-YFUWRXDOSA-N 406.551 5.878 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408870665 WJJHPGHSPYPKRK-AOWGUIBLSA-N 420.534 5.598 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1C 409021054 XIDAPEBJKCDZMJ-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409210608 KFVSRAQCKOMGOO-VULFUBBASA-N 414.332 7.030 30 40 HKEB COC(=O)c1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1C 409248015 JMETXZYPQVWSSJ-DICXZTSXSA-N 400.453 5.674 30 40 HKEB Oc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083810987 ISYQPVWQIWXYNL-UHFFFAOYSA-N 424.181 5.213 30 40 HKEB FC(F)(F)CNc1ccccc1OCCCC(F)(F)C(F)(F)C(F)(F)F 1565673294 CIAONXZWCZMQLR-UHFFFAOYSA-N 401.244 5.653 30 40 HKEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(C#N)cc2)cc1 1857524195 OSSMPMZJYDZMFX-UHFFFAOYSA-N 420.896 5.587 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc2ccccc12 720605 SPYUIEITMAIVGI-SANMLTNESA-N 404.513 6.589 30 40 HKEB C=CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 2250370 FMLHLORAAPRPOY-UHFFFAOYSA-N 419.565 5.567 30 40 HKEB CCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)cc1 3584756 RSKQFSGNCYALGK-UHFFFAOYSA-N 411.549 7.369 30 40 HKEB O=C(Oc1ccc2ccccc2c1/C=N/Nc1ccccc1)c1ccc(Cl)cc1 4461644 FNRRSEPRFHKEJF-WGOQTCKBSA-N 400.865 6.158 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(C(F)(F)F)cc1 4543622 MHDDOGAJIRJSFX-QFIPXVFZSA-N 421.462 7.059 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c(ccc3ncccc13)N2 4707989 OSEIPJHYXMPYFK-IBVKSMDESA-N 402.497 6.193 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O 4737545 AHZIIDORJVEWOF-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1Cl 5543146 HAKZZAKQSWVQEI-CSKARUKUSA-N 406.840 7.204 30 40 HKEB COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 5907734 LFDOIAOOTZGKMS-MXAYSNPKSA-N 412.441 5.209 30 40 HKEB biogenic COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 6714769 YCQUPNMPWHGGIR-WPWMEQJKSA-N 420.484 5.001 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19771438 YPUNKDAXMIVCFB-HSZRJFAPSA-N 421.562 5.138 30 40 HKEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20650833 OBEOHKSOILYDOM-GHOUAXAESA-N 401.865 5.175 30 40 HKEB COC(=O)c1ccccc1O/C(=N/c1c(C(C)C)cccc1C(C)C)c1ccccc1 102942077 FCZVXBQBIXODDQ-BYCLXTJYSA-N 415.533 6.877 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 103752433 ZDUZXPUELSJKGL-YDZHTSKRSA-N 419.393 5.090 30 40 HKEB CCOc1ccccc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 103861634 ZSVRACVVLPLERU-PCLIKHOPSA-N 410.583 5.839 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 108871311 PXYDBIAHSCTWFF-JYJNAYRXSA-N 418.994 5.055 30 40 HKEB C=C(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1 200881070 LOCFHEXUJQYDFL-HSZRJFAPSA-N 409.570 5.301 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408594119 FUCUFQHNRFEMHA-LGJNPRDNSA-N 411.288 5.995 30 40 HKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)c1 409233915 UPLRDUOLAKUEFV-FYJGNVAPSA-N 421.953 5.948 30 40 HKEB COc1cc(Cl)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1OC 409370415 QMLZZLGETQTOFM-BRJLIKDPSA-N 422.824 6.092 30 40 HKEB CCCc1ccc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295245 ROVZYNMEXXONPN-FQEVSTJZSA-N 407.543 5.426 30 40 HKEB C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2cccc(Cl)c2)S1 851675 MIKBGABRKZFYTP-VCJZWJMISA-N 413.852 6.016 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 1098835 PWRLRDMNBFVFHD-YFGQCYJXSA-N 420.534 5.395 30 40 HKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 2186821 SLFFLEGYPRJDJG-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2251695 DYYWAHSOHUMWSR-UHFFFAOYSA-N 417.557 5.770 30 40 HKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2742575 WAQRKCMFBXWWFB-NSHDSACASA-N 411.914 5.614 30 40 HKEB N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 3257016 UNTMQDWFVHIJIS-UHFFFAOYSA-N 415.543 5.100 30 40 HKEB C/C(=N\OC(=O)c1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 4085473 WHOGWUFFBCXMBA-FSJBWODESA-N 405.306 6.006 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C)c(Cl)c2)cc1 4925609 NJEPCJSKSWXRGQ-CVKSISIWSA-N 416.912 5.956 30 40 HKEB CCCOc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 7449638 GOEALFLWZCODPI-DEOSSOPVSA-N 423.578 6.386 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1cc(Cl)cc(Cl)c1 8733537 LYVWHVLYDSPHFK-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB CN1/C(=C\C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)C(C)(C)c2ccccc21 12523736 SXWFVTOPXKTHNE-DRTGMGRBSA-N 419.528 6.141 30 40 HKEB Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N/N=C/c3ccc([N+](=O)[O-])cc3)c2c1 13132857 NPHCOEHFXGNYFQ-ZVBGSRNCSA-N 424.675 5.119 30 40 HKEB CCc1ccc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 14086077 SFOYYYAZFZOZEI-OAQYLSRUSA-N 410.926 5.359 30 40 HKEB CCCCCCCCSc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97951238 QMORFTBYWYJEHW-UHFFFAOYSA-N 415.628 6.543 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 100309883 OFTKGWZUBGTPJA-UHFFFAOYSA-N 405.583 7.198 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 102931135 INNGFEQZKOCTIZ-UHFFFAOYSA-N 424.516 5.849 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 245241392 CNJPGFFQFAETRQ-SBEBFCLWSA-N 410.985 6.226 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 408781990 FWXGBGXFEVCHSH-CVKSISIWSA-N 408.954 5.961 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 408913905 VBXZTCVTNXDTMX-DBSKITMISA-N 406.482 6.100 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)c1 408965098 GDXGXCAYIXXWQH-ZVHZXABRSA-N 405.454 5.238 30 40 HKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3c(Cl)cc(Cl)cc3Cl)c2C)cc1C 409002029 SBKNGIDNMLCOLE-VROXFSQNSA-N 421.759 6.512 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409199994 GKQSPGRVBMCIHM-VULFUBBASA-N 414.332 6.894 30 40 HKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 1439868 QKTHSKTZYVXHRA-QUGAMOGWSA-N 414.480 5.814 30 40 HKEB CCOC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 2064000 SJBMYJLIPBQGPK-QGZVFWFLSA-N 402.519 5.639 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1O 3082905 MEVAUSCTPJDTJQ-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB CN(C)c1ccc(/C=N\N=C2/CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1 4455672 SRQNOVRXHQWKQS-YLTQPQFKSA-N 412.581 6.441 30 40 HKEB O[C@@H](Cc1ccccc1)/C(Cc1ccccc1)=N/Nc1ccc(Br)cc1 4617576 OQKJETUUXLFLIA-SCIJIFGBSA-N 409.327 5.063 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 4673229 XTLYEFXEHBLQFA-DDYNLCSXSA-N 414.936 7.861 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O 4910604 UQHBCWNCIRAQBG-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C[C@H]1CCCO1 5406518 DLZGOYRPRODPEJ-XMMPIXPASA-N 414.505 5.084 30 40 HKEB CO/N=C1\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 5551114 CHNBWGCZJBZRBU-YUHQMJTESA-N 415.706 8.110 30 40 HKEB N#CC(C#N)(Cc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 5670655 NPSKQJPKKOHUKE-UHFFFAOYSA-N 404.606 5.588 30 40 HKEB Cc1cccc(/N=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C23CCCCC3)c1 5797706 QOBXVXQAFULFHV-UHFFFAOYSA-N 417.500 6.141 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCCc1ccccc1 8844512 XDOWLMSSCQPRLO-UHFFFAOYSA-N 419.868 5.693 30 40 HKEB C=C(Br)Cn1c(SCCOc2ccccc2OC)nc2ccccc21 12062292 OVOIOAAHNHQPRW-UHFFFAOYSA-N 419.344 5.125 30 40 HKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 12406400 LTEJOJGHZUXRLK-GKTNAJGXSA-N 403.309 5.755 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1 12859535 WNCKVSZSODYAJV-MSXFZWOLSA-N 402.446 5.207 30 40 HKEB biogenic COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 17091585 SJHCOFPNFCMNOY-KRWDZBQOSA-N 418.562 6.185 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 102802222 ZXFWDYGEKMRZSZ-JBCNATCCSA-N 403.865 5.275 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(C)=O)cc1 254301733 YQTDTWWSGNBYCD-UHFFFAOYSA-N 403.334 6.144 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1 408596440 ZFQDRDRBYJEBSO-WGOQTCKBSA-N 412.445 5.878 30 40 HKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408656428 MINDLLRZJAVLBA-XNTDXEJSSA-N 401.893 6.248 30 40 HKEB CCn1c(N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)nc2ccccc21 408692593 QFAAYJMMDQUYAG-AFUMVMLFSA-N 421.932 5.572 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408816187 STOKQMWTYRUNLV-ATVHPVEESA-N 416.296 5.255 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(F)cc4)o3)c2C#N)C1 409208947 DLPMMCFWTBXJSN-NKZWWHGNSA-N 406.526 6.920 30 40 HKEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1 1389885 VCSLESUINQAAOP-UHFFFAOYSA-N 408.889 5.331 30 40 HKEB aggregator CCCCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2394758 FTAWSRIBQSHBPA-UHFFFAOYSA-N 420.488 5.422 30 40 HKEB O=C(/C=C(\CC(=O)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 4568108 XSZUWZOPRPWYRK-HMMYKYKNSA-N 405.291 5.988 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(C)C 8430957 COUPKVSUSTUUIO-UHFFFAOYSA-N 419.617 5.934 30 40 HKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 8449944 CSHXGXPVOICVJD-WKZKVMAPSA-N 411.542 5.268 30 40 HKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\Nc3ccc(Br)cc3)o2)c1 12469976 UQTSOUPGBGUMHC-FBHDLOMBSA-N 419.662 5.507 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O 59224372 VVPGZAJENOOSSL-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 59459522 MROIPAXNXUOZKP-YBFXNURJSA-N 416.304 5.487 30 40 HKEB C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 72328179 WPYONZVQFLCBLU-CTOFZRSPSA-N 415.606 6.971 30 40 HKEB CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 97953059 FWCVSGJAESNMAY-UHFFFAOYSA-N 415.541 5.165 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1O 100222763 VUZDYESIONCBND-YCPBAFNGSA-N 407.310 5.501 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)S/C1=N/c1ccccc1 101375523 JQYWSEPBZLNHDL-TWGQILOBSA-N 418.474 5.269 30 40 HKEB Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1Cl 101437537 LDOOKAXZJXPUPG-RSKRUZOQSA-N 422.142 7.801 30 40 HKEB CCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(Br)cc1 101674708 BBUKOLUJILOPOE-UHFFFAOYSA-N 410.396 6.658 30 40 HKEB N#Cc1c(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)sc2c1CCC2 102618654 VVTXHDSVDMJHLV-IMWZJCIKSA-N 402.563 5.585 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2cccnc12 104154510 NSCQSJGIVYLOLP-UHFFFAOYSA-N 411.630 8.402 30 40 HKEB C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408555678 HDGSXDCTXSHZPX-IBGZPJMESA-N 410.322 5.345 30 40 HKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OC 408761949 ISWDVNXCHLWIIN-QNGOZBTKSA-N 422.550 5.276 30 40 HKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408954276 SHOFXCRBLNYZEU-TURZUDJPSA-N 405.501 6.707 30 40 HKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1C 408966888 NYQWWUTYWYKAQK-JVWAILMASA-N 402.538 6.237 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1O 408993684 DZIVVLFZLJRJIH-AOUVVKEYSA-N 418.562 6.057 30 40 HKEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OCC)c1 409000012 MCMQFWBMNKANLI-QNGOZBTKSA-N 423.896 5.172 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C#N)o3)c2C#N)C1 409081332 PNRRBQLHBLBIEM-PYWPZVNCSA-N 413.546 6.653 30 40 HKEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385482 MHCIHSCCSIKCNH-MSXFZWOLSA-N 412.942 6.137 30 40 HKEB CCCCCCCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 3162209 CUASNWDPSJKOJS-UHFFFAOYSA-N 404.510 6.611 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 5100921 PWEBKOBRFDZTTM-FTTRISJGSA-N 423.582 5.336 30 40 HKEB CCCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OC 12465245 KASCGXRAVPMECK-ISSOZRQYSA-N 424.566 5.888 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1Sc1ncccc1[N+](=O)[O-] 13575698 BKYGUDNEJIJASR-UHFFFAOYSA-N 403.250 5.381 30 40 HKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20761326 WIZKPNYODSAHPZ-DHRITJCHSA-N 415.320 5.705 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 59459257 QPLNAVYGXDYLKV-WKULSOCRSA-N 421.418 6.894 30 40 HKEB CC(C)=NNc1nc2c(Cl)c3sc(NN=C(C)C)nc3c(Cl)c2s1 72228983 MSSNRXSTLLHGMG-UHFFFAOYSA-N 401.348 5.828 30 40 HKEB CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(C(=O)O)ccc3nc12 85340896 OIHGJSQDAJHGHQ-UHFFFAOYSA-N 410.514 5.966 30 40 HKEB biogenic,in-vitro CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2)cc1 100165349 CEXRPOGLVRYSAR-TURZUDJPSA-N 419.952 7.433 30 40 HKEB CCCCCCCn1c(O)c(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 102489994 PITYSWHRJHNBLY-UHFFFAOYSA-N 406.526 5.547 30 40 HKEB CCCCCCCCNCc1cc(Br)ccc1OCc1ccccc1 102561993 IJPJRKMZSVKWOT-UHFFFAOYSA-N 404.392 6.478 30 40 HKEB Fc1cccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 108160118 GTSARZQKUNJWQY-UHFFFAOYSA-N 404.495 5.910 30 40 HKEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)N1CC 223512090 YLMNWFLKNSFODU-LGHZWSLZSA-N 411.615 5.717 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408613695 ZKNIUDXPFPNDFU-UHFFFAOYSA-N 400.675 5.427 30 40 HKEB C=CCc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1OC 408706152 WEFWENBFYWBCIS-UHFFFAOYSA-N 403.547 6.277 30 40 HKEB COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Br)cc1 409062529 WHJBEPUFAYSADO-CMDGGOBGSA-N 411.093 5.029 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409200237 HEHUKSAOADGCNE-LQKURTRISA-N 415.920 7.140 30 40 HKEB CC1(C)C=C(CN2CCCCC2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)cc1 575473076 FGXANVZJGPOTQA-HPNDGRJYSA-N 419.956 5.469 30 40 HKEB C=CCOc1ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2c1 1771743 BSQUFFVNMZZCIQ-UHFFFAOYSA-N 412.363 6.322 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 2454307 GZQRASDFEQPEMY-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB N#Cc1ccc(CC(C#N)(Cc2ccc(C#N)cc2)C(=O)Nc2ccc(Cl)cc2)cc1 3316010 BBTVWZFYFAKFCY-UHFFFAOYSA-N 424.891 5.017 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cccc2cccnc12 5455779 CZCHNYRIWCYETD-RWPZCVJISA-N 404.477 5.224 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)N=C2O)c1 6641990 OVMWRRQRLYKJDX-PXNMLYILSA-N 409.294 5.743 30 40 HKEB Cc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 8654617 HEDYXFZNEMSJCL-UHFFFAOYSA-N 419.868 5.959 30 40 HKEB aggregator C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 12873751 AMLPMOKTYSXKFI-VHXITHSOSA-N 408.561 5.924 30 40 HKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 13942242 FGUICYOINZHLQU-BRJLIKDPSA-N 415.449 6.093 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 100252990 KRYNRGNGULVGHD-WFXBMRRRSA-N 405.567 5.689 30 40 HKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224711573 YIEPEUVFAQECOR-UHFFFAOYSA-N 413.926 5.300 30 40 HKEB CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@H](C)CC1(C)C 260569828 SMXDJDXBFPIPDP-VVRYKASASA-N 419.594 6.079 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCCCC2 408969945 XKADUMMDHCIHIZ-WGOQTCKBSA-N 422.981 7.063 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC 409091975 RZRZXCJAZHVJOH-SQAVSUBZSA-N 412.555 5.547 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 1077491 PTWJTSZVMVQGEI-SIBVEZHUSA-N 414.936 6.628 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 5383758 HQGZRMDHWMCJOE-NSHDSACASA-N 417.918 5.585 30 40 HKEB Cc1ccc(C[C@H]2S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 5555619 RQXNBRLBEXWBPL-LEMNQXRHSA-N 400.547 5.991 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 7496075 UVYOTSOGBBXOMJ-FNZWTVRRSA-N 405.501 5.760 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C/c1c(O)ccc2ccccc12 8397447 JAYIUYNQPAYHPU-QCWLDUFUSA-N 423.685 9.226 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8434755 YLMLRTJWMZFRNT-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCCCCC1 13831699 MMPKLPXNZMVKOD-UHFFFAOYSA-N 407.901 5.826 30 40 HKEB C=CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 25076338 GGDJCUZGARVQRY-JOCHJYFZSA-N 405.538 6.065 30 40 HKEB N#Cc1ccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 48344294 LYLPHORFZUETPR-UHFFFAOYSA-N 415.440 5.207 30 40 HKEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 97953118 QNDWKEZNHNXNOO-ZCNNSNEGSA-N 422.573 5.233 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 98042977 QDGFORYGIMAJHH-UHFFFAOYSA-N 410.558 6.417 30 40 HKEB O=C1C(=C2C=Cc3ccccc3N2)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 100350899 HOSJLXOUCNYNOD-UHFFFAOYSA-N 411.071 6.072 30 40 HKEB CC(C)Oc1ccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 102369542 HWRJSXIPIUUQDP-ZNATYMMXSA-N 411.571 5.236 30 40 HKEB C[C@@H]1Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 408710936 YVFXDVWCFWGNII-HAWIIJGWSA-N 412.514 5.819 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl 408803519 PYEQOVVDWQSQRH-MXAYSNPKSA-N 413.304 6.070 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccccc1 408909427 HLLUNUUXYGLNAM-XLQVJUFVSA-N 416.502 5.463 30 40 HKEB Fc1ccccc1Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409094166 COIJJTDUNUBWFS-IPBVOBEMSA-N 412.390 5.689 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br 409111958 AYQAQVQDLBGPFN-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 409209471 BUZJHERQVPBMEN-QMSJJHEMSA-N 424.614 5.249 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 409216147 FREJFUFUFMTLAX-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(F)cc1 409243892 YQWNQRNVSOGKJF-FGVWYHQHSA-N 405.292 5.212 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc2ccccc2c1 809896 NFHCERYAURAKSQ-HSZRJFAPSA-N 405.497 5.777 30 40 HKEB Oc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1-c1nc2ccccc2o1 1955872 FVVTVYZNUJBMIQ-OGLMXYFKSA-N 420.468 6.530 30 40 HKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1Cl 2452268 NKIPFYCQTLOCMN-UHFFFAOYSA-N 420.365 5.951 30 40 HKEB Cc1ccc(/N=C/c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1C 3088611 CUHAYVYSOFFTQG-JVWAILMASA-N 424.456 6.335 30 40 HKEB N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1 4175418 NLYADKDCOFILRX-HZHRSRAPSA-N 401.264 5.051 30 40 HKEB O=C1[C@H](C[C@@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 4402451 SRXHLHLYMDYESA-CWGXUGAXSA-N 400.559 5.059 30 40 HKEB biogenic C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 5185974 QNGAAMRKYMIISM-UHFFFAOYSA-N 404.388 5.432 30 40 HKEB CCCCCCCCCCCNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 8431858 LJUCHZWTAYJNRC-UHFFFAOYSA-N 407.595 6.143 30 40 HKEB N#Cc1ccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)cc1 23983063 HCCMVHFXPQKSMI-UHFFFAOYSA-N 420.493 5.654 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 83312019 PYMLYFWENVBIBZ-CFRMEGHHSA-N 404.857 5.697 30 40 HKEB COc1ccc(/N=C/c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)cc1 100349690 VNLPZOYKALLXAB-RWPZCVJISA-N 424.422 6.749 30 40 HKEB O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1cc2ccccc2o1 102417278 JUUTYYWPMCROHS-JVWAILMASA-N 406.441 6.295 30 40 HKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=S)Nc3ccccc3)cc21 208252732 OHCLSFKVHFHJFO-LTOJSDLTSA-N 400.979 5.383 30 40 HKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 224599899 KPWFZBLSLPEQND-UHFFFAOYSA-N 419.852 5.139 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757739 IWVXCCGIGCBNID-QGZVFWFLSA-N 421.497 5.484 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 225778985 SSYIMXRGSLLVKU-UHFFFAOYSA-N 412.917 5.077 30 40 HKEB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 263612091 XURCMZMFZXXQDJ-QQINFNOISA-N 414.586 5.580 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC 408909070 BXNGFUUANYBCEE-LBMUFILHSA-N 424.566 5.805 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccccc1Cl 409067739 ZFYUYBRGRYGZDP-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB CCOc1cc(/C=N/O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409081339 HDJDCTAGLFMXAV-ODCIPOBUSA-N 404.728 5.266 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 409082792 SUPXYHGYBCSNDR-UNOMPAQXSA-N 424.283 5.917 30 40 HKEB O=C(O)c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409201309 LKEHAQSGECCUAN-MTDXEUNCSA-N 423.468 6.507 30 40 HKEB O=C1C(=Cc2cccc(OCc3ccc(Br)cc3)c2)C(=O)c2ccccc21 409389804 AODWWAYOVRUFRV-UHFFFAOYSA-N 419.274 5.491 30 40 HKEB CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 663869 XMQYOAJCTONYFN-LBPRGKRZSA-N 414.493 5.168 30 40 HKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1OC 1322488 WEHSKHLHDQTKQO-AREMUKBSSA-N 413.517 6.167 30 40 HKEB biogenic O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccc3ncccc3c12 1440477 PBYQJWUIZBBSHV-WGDIFIGCSA-N 408.526 6.363 30 40 HKEB CCCCc1ccc(/N=C2/C(=O)N3c4c(cc(OCC)cc42)C(C)=CC3(C)C)cc1 2354642 DYWZTMPFOYEHTO-SLEBQGDGSA-N 402.538 6.091 30 40 HKEB O=C(ONC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Cl)c(Cl)c1 3225671 GDFGNXIJGGCUMD-UHFFFAOYSA-N 418.660 5.502 30 40 HKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 6024138 MPBJVWIDBIOSSR-JOCHJYFZSA-N 419.452 5.321 30 40 HKEB Cc1cccc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)c1 13751342 PJPOETNNLBXEQA-OHYPFYFLSA-N 423.560 5.375 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)O2 18196910 LCWPFPCMXXLTCS-RUZDIDTESA-N 412.533 5.895 30 40 HKEB Cc1cc(O)c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20649719 WUGGTWAKCTYPQA-HMAPJEAMSA-N 403.478 5.439 30 40 HKEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 20762237 NOXKMAVVZKFACI-DHRITJCHSA-N 415.320 5.705 30 40 HKEB COC(=O)c1ccc(COc2ccc(/C=C3/CSc4ccccc4C3=O)cc2)cc1 33424874 LMDXWIYYWPLEAN-ZHZULCJRSA-N 416.498 5.424 30 40 HKEB CCCCCCCCCCCCSC1=C(Cl)C(=O)C(OC)=C(OC)C1=O 104181925 XZZRDSLWZIGIPZ-UHFFFAOYSA-N 402.984 5.747 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/C(Br)=C/c1ccccc1 105639161 MKRLEUNOWAWVDT-OBHNZGETSA-N 419.731 5.510 30 40 HKEB CO[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932596 YLJFYUPNPBFGPI-LTOXSCOASA-N 414.674 7.222 30 40 HKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@H](CC)CCCC 299803433 PUYRISKXBBQECH-DSNGMDLFSA-N 410.683 7.995 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408674120 XNGUCFCCKNDSNN-DHIUTWEWSA-N 424.585 6.002 30 40 HKEB CCCc1sc(N/N=C/c2ccc(N(CC)CC)cc2)nc1-c1ccc(C)cc1 408756299 PTCGUWVIEADNOJ-KOEQRZSOSA-N 406.599 6.363 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC#N 409200636 ISPXAAMQZNKHKZ-JEWIKEISSA-N 421.566 5.822 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 409211051 MGBUIDDIWQUIOZ-RWPZCVJISA-N 403.884 7.270 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 1958790 NIALMGCWMHMVGU-YSURURNPSA-N 417.679 6.911 30 40 HKEB C=C(C)CSc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2394016 JHQYQJRNPRGIIW-UHFFFAOYSA-N 415.653 6.317 30 40 HKEB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3429984 ZIZYCXOEMXZIJP-UHFFFAOYSA-N 406.869 5.213 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1)c1ccccc1O 5277883 YGMPRRIWRGHBBR-RMKNXTFCSA-N 403.312 5.475 30 40 HKEB Cc1ccc(N2C(c3ccccc3)=CC(=C3C=CC(=O)C=C3)C=C2c2ccccc2)cc1 5553172 PJXVKOALTCZPHD-UHFFFAOYSA-N 413.520 6.889 30 40 HKEB O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 8782014 XKQSPHMBCFUQNJ-AAFUQGSYSA-N 418.718 5.564 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195579 PLTZZMIYUUYQFC-WYMPLXKRSA-N 417.292 5.554 30 40 HKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@H](c1ccccc1)N1CCCC1 32624535 OJJMAJIHOUKPKR-OAQYLSRUSA-N 422.916 5.028 30 40 HKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(N=C2CCCC2)cc1 33627044 VTIGWLVKPORWMM-UHFFFAOYSA-N 404.535 5.729 30 40 HKEB Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1[N+](=O)[O-] 59106018 HICZVSPTWZDFTH-YBFXNURJSA-N 423.425 5.194 30 40 HKEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(OC)c1 59426819 IFTJBSKPMHDHQX-BKUYFWCQSA-N 409.555 5.050 30 40 HKEB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)CC1 100153056 UVHBWNDNYLNWLV-WGOQTCKBSA-N 413.477 6.481 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 198084747 MAFMYPYSFGNTIV-GHONEHJGSA-N 405.767 6.575 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 408805069 CZPZZEGGJZBMMI-WTTSBOSASA-N 406.913 5.655 30 40 HKEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1 408977772 FNTRZXQXIIBEOY-UHFFFAOYSA-N 421.500 5.766 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409092056 XGBQVVCHQCQSCQ-XDHOZWIPSA-N 415.898 5.150 30 40 HKEB CC1(C)OB(c2ccc(N3c4ccccc4Sc4ccccc43)cc2)OC1(C)C 1857775642 JURNZXUOAKFVGA-UHFFFAOYSA-N 401.340 5.920 30 40 HKEB COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 725313 DBCZYVJXYLENCN-HXUWFJFHSA-N 407.510 5.287 30 40 HKEB Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc(C#N)cc2)cc1 2230094 JUGSBLKRRAZHPT-UHFFFAOYSA-N 402.548 5.392 30 40 HKEB CCCCCCCCOc1ccc(NC(=O)Nc2cc(F)c(F)cc2Cl)cc1 3193998 SGGHALHLWHAQPE-UHFFFAOYSA-N 410.892 7.002 30 40 HKEB Clc1ccccc1COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1 6756788 XMJHZVIFMCGXJO-YZSQISJMSA-N 406.913 5.506 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(Cl)cc3)cs2)cc1 12938851 AFJUSQVZSYFZQW-KPKJPENVSA-N 412.898 5.386 30 40 HKEB Cc1nc(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c(C#N)c(C)c1C 23078507 OAPHPVRDJZRVJD-QMTHXVAHSA-N 424.595 5.155 30 40 HKEB OC1=NC(=N/c2cccc(OC(F)(F)F)c2)/C(=C/c2cccc3nccnc23)S1 72400424 YWIZHAYYJRYFPS-DHDCSXOGSA-N 416.384 5.260 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccccc1 103550464 DHAYYCFAVHYYAH-UHFFFAOYSA-N 408.182 5.507 30 40 HKEB COc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)cc1[N+](=O)[O-] 226362398 GJUDXKVIRDXHNY-DHZHZOJOSA-N 413.389 5.043 30 40 HKEB CC(=O)O[C@H]1CCC[C@@H]2CC[C@@H]3[C@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@H]3[C@@]12C 245238396 NCAXLVUROKVMHK-CJUJNOIUSA-N 420.593 6.380 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408595971 YIRQJMJVTCENHA-AYPRBGQRSA-N 407.264 5.085 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408595972 YIRQJMJVTCENHA-HSWQHBDASA-N 407.264 5.085 30 40 HKEB CCCCCCCCCCCC(=O)N1[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 408678630 FWFVRJATXGFADH-OQKNHUCHSA-N 405.582 6.742 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1 408750974 UVGUFEMMSPONBO-RMORIDSASA-N 417.252 5.322 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3Cl)S2)cc(C)c1Br 408762448 KTWDYXKWZMGURW-DHDCSXOGSA-N 421.747 5.611 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c(OC)c1 408936011 JNUFGYRUNHKIIM-BPGOHEDJSA-N 410.517 6.281 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408975175 IXBCOERCGJAGCS-BUVRLJJBSA-N 414.490 6.140 30 40 HKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 409199952 FYLOEKVBKIZCGL-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB COc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409215198 YJWGRWHVBOLJFR-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB COc1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 409385489 KWQRVFZZQQYYPI-ZMOGYAJESA-N 408.523 5.492 30 40 HKEB O=C(COc1ccc(/C=N/c2cccc(F)c2)cc1Cl)Nc1ccccc1F 409385874 KSTVJWSVOSWGBY-BRJLIKDPSA-N 400.812 5.386 30 40 HKEB Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(C)c4)c(C)c3)cc2C)c1 2854121 VWWIUGDWCWCYAO-GKTLAHRSSA-N 416.568 8.088 30 40 HKEB O=C1OC(c2ccccc2)=C(c2ccccc2)[C@]12OC2(c1ccccc1)c1ccccc1 3764254 HSCQFBLOXHBPIJ-LJAQVGFWSA-N 416.476 5.825 30 40 HKEB COc1ccccc1[C@H](CC/N=C/c1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 3999411 SLTNOYPJAFPNDM-WYAFITDCSA-N 408.586 5.559 30 40 HKEB biogenic N#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1SCc1nc2ccccc2[nH]1 4620496 YTGDBUSIZCXFAP-UHFFFAOYSA-N 411.412 5.203 30 40 HKEB CCC/N=C1/Sc2nc3ccc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 4858409 WAXUAJMFLYVWQB-WCWDXBQESA-N 405.523 5.146 30 40 HKEB Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2cccc3ccccc23)c(C)c1 4889183 GIXWLNKBJJGFOB-LUIFUGJFSA-N 401.535 5.311 30 40 HKEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)Nc3ccc(C)cc3C)c12 5182762 RVYKGODGAYYKJW-UHFFFAOYSA-N 404.510 5.490 30 40 HKEB CCCCOC(=O)CCCCCCC/C=C/[C@H]1C=C[C@H](CCCC)[C@@H](C#N)[C@H]1C#N 5539546 OUCFEMDIOMPJEK-FZDUWXLHSA-N 412.618 6.889 30 40 HKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1 6733056 QSFVTIHJVNXZDR-NRFANRHFSA-N 413.521 5.594 30 40 HKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccs2)n(C2CCCCC2)c1C 8072228 PBUWXYSBYNXCFU-FQEVSTJZSA-N 410.587 5.319 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 8570823 FOXNYOSSEMITBO-DHRITJCHSA-N 400.305 6.640 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 10119090 XNBKEAKIEZTAIB-JVWAILMASA-N 408.929 5.750 30 40 HKEB Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2 12436652 XCNLIYASCOAKKH-GPIXMANTSA-N 411.486 5.126 30 40 HKEB Cc1cc(CSc2nc(O)c(-c3nc(-c4ccccc4)cs3)cc2C#N)no1 14076524 CZGWQRFYGWKVOD-UHFFFAOYSA-N 406.492 5.038 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(C(F)(F)F)c1 19913609 UJOVJKCNTPUOKS-UHFFFAOYSA-N 417.471 5.679 30 40 HKEB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)c2ccccc2C1=O 57399481 IDRCMFPGGBLQNU-HKOYGPOVSA-N 421.500 5.073 30 40 HKEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)c(F)c1 69847709 UHBCSNDXKTZAST-LJQANCHMSA-N 422.891 5.170 30 40 HKEB FC(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 100048625 OKPPOETXRULRPA-REOHCLBHSA-N 420.062 5.831 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/c3cccc(I)c3)c2C)cc1 408737967 GRFMDPFDMZSURE-LPYMAVHISA-N 414.290 5.758 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)SC1=S 408815742 RYEBUKOTSQCTRY-MFOYZWKCSA-N 423.390 5.788 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)cc(Br)c1OCC 408867260 LBGRZPBAUYVSED-RGVLZGJSSA-N 420.332 5.302 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 408917181 OJDVRZCZRSVVDX-YACCPEJUSA-N 404.491 5.483 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Cl)c3O)S2)cc1 408967666 WONVWJMAKAWFHB-AUWJEWJLSA-N 423.719 5.008 30 40 HKEB C=CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409035286 PJFWJNDXDZRMCA-GYRAYZOKSA-N 422.728 5.017 30 40 HKEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409217625 QWKVSMBBUVAJPT-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1OCC 409386563 MVBYKWZNIGMZMM-CVKSISIWSA-N 416.433 6.219 30 40 HKEB CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 663867 XMQYOAJCTONYFN-GFCCVEGCSA-N 414.493 5.168 30 40 HKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c2c1CCC2 1390270 KKELOISTEMIFFN-UHFFFAOYSA-N 404.922 5.737 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 1440236 BPBWXYUJJPCQEA-XFEVJDRUSA-N 404.510 5.041 30 40 HKEB CCOc1cc(/C=C2/C(=O)ON=C2c2ccc(C)cc2)ccc1OCc1ccccc1 2192879 YGDLLUVDIIDTRL-PXLXIMEGSA-N 413.473 5.317 30 40 HKEB N#Cc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 3306529 ZYZMZYHWWTZEJI-UHFFFAOYSA-N 416.116 6.639 30 40 HKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C\c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 4837963 FGUICYOINZHLQU-ROTLSHHCSA-N 415.449 6.093 30 40 HKEB O=C1C2=C(c3ccccc31)[C@@H]1c3ccccc3C(=O)[C@@]1(c1ccccc1)c1ccccc12 4991493 OCZDUWQNWOTEFF-FIBWVYCGSA-N 410.472 6.074 30 40 HKEB O=C(/C(=C/c1cccc(Br)c1)c1nc2ccccc2[nH]1)c1ccccc1 5071874 SVPYAQZXNHFVQT-JXAWBTAJSA-N 403.279 5.749 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccco2)[C@@H]3c2ccccc2)cc1 5210796 IHFOCWUXWQQKET-IVNHJSRESA-N 408.453 6.492 30 40 HKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC 20196742 KCNLUSVAZUBSCB-VULFUBBASA-N 411.933 5.197 30 40 HKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 33419729 MVAMYWKKNFLSSG-UDWIEESQSA-N 424.978 5.730 30 40 HKEB Cc1cccc(/N=C2\S[C@H](C)CN2C(=O)Cc2coc3cc4c(cc23)CCC4)c1 33481214 LYTIBFKUILVXLE-JPUQDIAOSA-N 404.535 5.424 30 40 HKEB CCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1 68569019 NZAISKFWVKZADQ-RMLRFSFXSA-N 407.642 8.689 30 40 HKEB COc1ccc(-c2ccc(/C=N/Nc3nc4ccc(C)cc4s3)o2)c([N+](=O)[O-])c1 95116549 NHJHMZKWFOHJAV-SRZZPIQSSA-N 408.439 5.228 30 40 HKEB CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC 95903606 QNQFILNCKAALEB-UHFFFAOYSA-N 414.627 6.371 30 40 HKEB C[C@H]1CCc2c(-c3ccccc3)nc(OCC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 170622706 DUSLUTJJCMFUKO-INIZCTEOSA-N 416.908 5.660 30 40 HKEB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 253532672 MKGZDUKUQPPHFM-DNCCYPFGSA-N 410.686 8.009 30 40 HKEB biogenic,in-vitro CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OCC 408541753 HMKQHIFZDWUEFS-OQKWZONESA-N 424.566 5.936 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2CC)n1CC 408560554 KQQNABCRCJKHBZ-UHFFFAOYSA-N 402.608 5.413 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 408748538 DSPZCGJDFWZZFT-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc12 408766542 VJBUUCICZYDSNP-JCMHNJIXSA-N 402.519 5.693 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OCC 409203721 XNOXTQQJJFJSCN-FYJGNVAPSA-N 423.294 5.538 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)c(O)c(Cl)c1 409286351 VZWVTINADUZMNH-UHFFFAOYSA-N 416.308 5.339 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(Cl)c1 409317319 OYGDQFWWZGWQLS-GFCCVEGCSA-N 418.722 5.208 30 40 HKEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 1076997 RHFXJVJALNCPPU-RBTNQOKQSA-N 424.544 6.373 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 1440187 BHTBXWLCMFOIHB-NRFANRHFSA-N 419.864 5.137 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc(Cl)cc1Cl 4235620 RCCQAWFZFYDDSB-JOCHJYFZSA-N 422.355 7.347 30 40 HKEB biogenic N#Cc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 4922116 HSLAPENLGRETOD-QFIPXVFZSA-N 408.486 5.090 30 40 HKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)cc1 5875328 WBTZSVMEBLOJEW-CCKFTAQKSA-N 424.566 5.938 30 40 HKEB COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O 5961006 OZRBWRRFGNXCPN-MXAYSNPKSA-N 412.441 5.209 30 40 HKEB biogenic C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1C1CCCCC1 8724900 LMSYFDWGGSZAES-UHFFFAOYSA-N 410.543 5.468 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 12561724 DLCKKXMUAYZIOW-NRFANRHFSA-N 424.331 6.052 30 40 HKEB Clc1ccc(/C(=C\C=N/c2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 16398868 RKBWMTDSKPNPDI-GVYGDHJUSA-N 401.724 7.502 30 40 HKEB COc1cc(/C=N\C2=C(C)[C@H](C)N(c3ccccc3)C2=O)ccc1OCCC(C)C 100314505 FQUHQLCBBLUNGV-HPUZFYODSA-N 406.526 5.248 30 40 HKEB CCCCCCCCCCCCOC(=O)c1ccc(I)cc1 104206645 VXVFYNRYYISCFJ-UHFFFAOYSA-N 416.343 6.369 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1CC=C 408760668 CPWLLMSHFMEIBX-JWGURIENSA-N 404.535 5.434 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1C1CCCCC1 408915240 PRRJREFARPZBSO-IPLYMLRXSA-N 408.542 6.325 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)c2ccccc21 409115551 SBGNOCKAUNQRTO-HAHDFKILSA-N 424.500 5.443 30 40 HKEB C#CCOc1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 409121359 YBLMXPOGHQJVCX-UHFFFAOYSA-N 408.295 5.866 30 40 HKEB COc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409215952 GVJFFKOSVLTLMF-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409295424 FEXYIAIQXUANDF-LLIHPHHJSA-N 410.315 5.004 30 40 HKEB O=C(/C=C/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCCS1 2049027 ODXCQLWOQQSCFY-ZHSNXSORSA-N 406.572 6.180 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4O)cc3)nc2c1 2067240 HRZQGPGURSBFRC-OGLMXYFKSA-N 404.469 6.926 30 40 HKEB CCCC/N=C1\S/C(=C\c2ccc(OCCCC)c(OC)c2)C(=O)N1CCCC 5552193 PFZLABRWCQDCRW-LWAHSQQZSA-N 418.603 5.747 30 40 HKEB COc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 5728342 ZBUZJMUJOHWXNY-YDZHTSKRSA-N 406.283 5.752 30 40 HKEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Cl)c1Cl)CCC2 13134137 HNGSVPPYOBZGDE-FYWRMAATSA-N 423.299 6.099 30 40 HKEB O=C1c2ccccc2CN(c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 17129877 YJBLQNYRMUNLNT-BYYHNAKLSA-N 403.485 6.041 30 40 HKEB CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccccc1 20358153 SCMXCEPZVFLKSB-UHFFFAOYSA-N 418.381 5.427 30 40 HKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccc(Br)cc1 27519402 GHXCRRYZNYMNCH-ZVHZXABRSA-N 419.326 5.851 30 40 HKEB N#C[C@H](C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 84368074 UHBZOIZCLLRTTG-AWEZNQCLSA-N 406.816 5.972 30 40 HKEB COc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 95482060 HTIFNTLILXJPOF-DHRITJCHSA-N 420.852 5.803 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 97952480 KEYTYYUNRLFJCY-UHFFFAOYSA-N 407.562 5.200 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3C)nc2c1 100933782 VQNCIPLFTHBIJS-BRJLIKDPSA-N 419.868 6.732 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102587228 DWJGWTFLHPAOEU-NHFXJNLRSA-N 424.283 5.620 30 40 HKEB Cn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 103267268 NONIOTXDBASBHW-UHFFFAOYSA-N 402.538 5.152 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2 408843606 GMPPJQOPJCVFPZ-QRVIBDJDSA-N 421.478 5.244 30 40 HKEB COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408916714 YUDCYSXUAUVWQH-QFEZKATASA-N 424.953 6.292 30 40 HKEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409019531 TXOTWCFKSDSHSS-SAIXKJTDSA-N 407.969 6.164 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc(C(=O)O)c1 409059039 QPMVFQVZRCTFEU-LEKPOWKWSA-N 421.305 5.316 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409072184 MHPRXMDGPLZEDG-PXLXIMEGSA-N 401.487 5.641 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)NCc2ccco2)C1 409088695 GMMSIYIARFVVRX-MLGZCZAZSA-N 410.539 5.766 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409105536 KVPLPYLFUPVZIH-OVVQPSECSA-N 415.945 8.034 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 409215631 CQDVFHPFKKMZLX-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCC2)cc1F 409297076 VWGRNZUJJKTRHY-UHFFFAOYSA-N 418.516 5.066 30 40 HKEB CC(=O)OC1=C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)CC(C)(C)C1 2294578 MBNUYNRJAIEFPR-NRFANRHFSA-N 408.494 5.012 30 40 HKEB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 4168173 NCNIXYGWUXMJQQ-XMMPIXPASA-N 416.521 5.000 30 40 HKEB C/C(=C\c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1 4771305 KTKAAPOLGAVYOZ-DHSAVSBASA-N 408.541 6.452 30 40 HKEB COc1cccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944872 ILCDSNXRXPUGBH-SFHVURJKSA-N 423.484 5.007 30 40 HKEB Fc1cccc(Cl)c1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 5069566 LQOBTDSEWOHTQJ-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB O=C1/C(=C\c2ccccc2[N+](=O)[O-])S/C(=N/c2ccccc2)N1c1ccccc1 5600644 RCKXWWFVLMRFGF-MPIQAULUSA-N 401.447 5.403 30 40 HKEB CCC(/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 5700799 BZPYOPJZSDFPPH-ULJHMMPZSA-N 418.453 5.687 30 40 HKEB Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)ccc1NC(=O)c1cc2ccccc2o1 5960460 JWULVASJXBSBPW-ZMOGYAJESA-N 415.405 5.358 30 40 HKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 8820943 VSQHMIIKCPNOTQ-DEDYPNTBSA-N 424.909 5.890 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)NC1CCCCC1)c1ccccc1N2 12652259 OBKADYFOOKCYSM-QHCPKHFHSA-N 405.498 5.302 30 40 HKEB COc1ccc(-c2cc(C(F)F)c(C#N)c(SCc3ccc(Cl)nc3)n2)cc1 19853598 CRGPAJRMCDCLQG-UHFFFAOYSA-N 417.868 5.907 30 40 HKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 28182512 LVCXSIXFUHNNCV-MXAYSNPKSA-N 411.457 5.382 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 62238201 IFYDZTDBJZWEPK-VWLOTQADSA-N 412.699 8.424 30 40 HKEB biogenic,in-vitro CCN(CC)C(=S)SC/C(=N\O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 101038036 QXCONMLJFIJECI-OQKWZONESA-N 410.649 5.525 30 40 HKEB CCCCCCCCc1ccc([C@@H](O)[C@@H](C)C[N+](C)(C)C/C=C\c2ccccc2)cc1 104333481 ALDJIKHVKLWRTI-REVZEQSRSA-N 422.677 7.049 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1 225769164 AGTZTBGVQZIGNM-XMMPIXPASA-N 402.563 5.944 30 40 HKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408739456 WLZRDTCNEJRSOQ-YDZHTSKRSA-N 411.299 5.394 30 40 HKEB CCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 408914075 SJNHUMGHPGAXRR-BHAWSTHSSA-N 419.377 6.706 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCCCC2 408973400 YUPXEFRKERTHEO-PCLIKHOPSA-N 404.535 6.116 30 40 HKEB O=C1/C(=C/c2cccc(F)c2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 408982872 JXGSGGAPUPBEMZ-MKIITAJQSA-N 402.494 5.498 30 40 HKEB C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1O 409081864 OQCIPXKUYLWFPL-QJOMJCCJSA-N 424.500 5.354 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409096480 JVRSKHLCKMZIDX-CFRMEGHHSA-N 407.498 5.647 30 40 HKEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(C(C)C)cc3)S2)cc1 2670967 JMRSDYUYGIXEEL-LWROZRRASA-N 423.582 5.153 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1 4125435 LQFAFKXMUHYPHQ-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB aggregator C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br 4503127 JKEJVUKWMVDNEQ-WSDLNYQXSA-N 401.329 5.576 30 40 HKEB CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 4973619 FCEOJGNHUSQXCN-SIBVEZHUSA-N 411.505 5.460 30 40 HKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 8872768 QWJFIKRAXPOQKE-MFKUBSTISA-N 419.937 6.585 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCC 10118761 WDSQUICSSLMFEI-WSDLNYQXSA-N 411.727 5.024 30 40 HKEB CC/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(N(CC)CC)cc1 12528975 FBLPMPNQIZXBAT-UPKSYYNSSA-N 418.566 5.612 30 40 HKEB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 13570340 PVZDNEXKHNCHNC-BTYIYWSLSA-N 406.869 5.300 30 40 HKEB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 13831696 IKLPJEZDIFNJFU-CALCHBBNSA-N 421.928 5.928 30 40 HKEB Cn1c(=O)c2c(c3ccccc31)OC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(Cl)cc1 18199673 PZTGKFVHEPOHQW-FQEVSTJZSA-N 419.908 5.359 30 40 HKEB CCCCCCCc1ccc([C@@H](O)CC(=O)c2cnc(-c3cccnc3)s2)cc1 100925237 GZXVFINLOBTKIO-NRFANRHFSA-N 408.567 6.024 30 40 HKEB Cc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1Cl 101091880 REYQHCLSTFPAPY-UHFFFAOYSA-N 413.826 6.844 30 40 HKEB O=C1/C(=N/Nc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1 101455944 ZXFGBLNOMWEXGD-LKUDQCMESA-N 409.276 5.212 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 102568191 NXCMCWOJVVYZAA-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1 408852747 HYVBQIXEGWMYQC-CFRMEGHHSA-N 409.873 5.890 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCC)S2)cc1 409098430 LMTZOBSYEDZGFM-PDGQHHTCSA-N 402.903 5.029 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409107551 SDFRVKUFEVYDOY-MHWRWJLKSA-N 407.322 5.623 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1 409122457 YYXVDOCDVXOOME-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 409200939 KNEZBWRVLLBTAD-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1C(C)C 409210001 KJNIXAAMPWXYRQ-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1O 409210869 LHAXSXPQCFJFHS-ICXMQADFSA-N 413.499 5.144 30 40 HKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 409214578 YIGGGSDDJJOPHY-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N/c1ccc(F)cc1 409238675 FGNUUTQZDRBARU-JBKGZACMSA-N 417.465 5.581 30 40 HKEB Cc1sc(NC(=O)Cc2cccs2)c(C#N)c1-c1ccc(Cl)cc1Cl 1003149 ZGQMCNZJZGFSNN-UHFFFAOYSA-N 407.347 6.145 30 40 HKEB C=CCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 2383020 KODQROOBJBVKCJ-LJQANCHMSA-N 420.629 5.361 30 40 HKEB CC(C)(C)c1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc(C(C)(C)C)c1 3216529 DZVVPVUCNBPOQP-UHFFFAOYSA-N 420.553 5.385 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O 3225024 MNRMTUPSBBJUJK-UHFFFAOYSA-N 408.523 5.742 30 40 HKEB CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 4058787 IHRNNUBHYRKBPZ-UHFFFAOYSA-N 400.547 6.190 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2cc(C)nc3ccccc23)c1 12542411 RDKKBWHIRVRWJT-RWEWTDSWSA-N 403.551 5.815 30 40 HKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 13549180 UEYJZUCIDVFXEL-MZHDSZJTSA-N 414.486 5.282 30 40 HKEB CN(Cc1ccccc1)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21 19848310 HRYOPRHJQMODSE-SLMZUGIISA-N 423.438 5.262 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 25398151 NGYRBJXEKDOAKR-UZYVYHOESA-N 424.309 5.477 30 40 HKEB CCCCCCCCCCCC[N+](C)(C)CCOCCOC(=O)Nc1ccccc1 59042386 HVQPPYLLXIOHBI-UHFFFAOYSA-O 421.646 6.249 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N/CC)N(CC)C3=O)c2C)cc1 101636129 BKDGCRDCQZTYJL-XAFFKLEKSA-N 409.599 5.749 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 102698162 WJESYPLEADTYDG-MOBKVPTQSA-N 416.477 5.041 30 40 HKEB CCCCCCCCCCCCCCC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] 104103090 NULHATKDONUWHY-SLEBQGDGSA-N 409.614 8.939 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764330 WUYMIOYVQXNKDA-UHFFFAOYSA-N 410.945 6.087 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408753733 HPDSCVQOFOAZNO-BKUYFWCQSA-N 422.937 6.362 30 40 HKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408782103 HKUUZLAKVFLLSK-YZSQISJMSA-N 410.477 6.497 30 40 HKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)cc1 408814822 ZSNQKDGEUCTODC-ROTLSHHCSA-N 417.267 5.901 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N1CC 408853740 XIVMKLNUSQCSET-ZGNGNRKCSA-N 422.381 5.713 30 40 HKEB Cc1c(Br)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 408855941 GNVCFRRRHPGCLT-CIAFOILYSA-N 413.275 5.211 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3sccc3C)sc1C2 409045124 FEGLZFDTEHTZKZ-UFWORHAWSA-N 405.342 5.606 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc2ncccc2c1 409100471 NTCXDADKXZBBDY-KVSWJAHQSA-N 409.415 5.502 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409129419 GLXQKXNYRCRMQE-HEHNFIMWSA-N 416.908 5.435 30 40 HKEB CCCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409208022 DWIWUQXRVXHQDC-LFVJCYFKSA-N 410.311 6.781 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc2ccccc12 409210756 MIOSBYLHYITBMW-RDRPBHBLSA-N 409.529 7.185 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)ccc1F 409385346 JRJZWNBAFKQJRS-BRJLIKDPSA-N 410.514 5.931 30 40 HKEB COc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)c1 1440616 ICOJULOPOQOMRW-NDXTWRDRSA-N 417.461 5.082 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 3066534 JKDHYIJDLBLRAW-RDRPBHBLSA-N 418.496 7.133 30 40 HKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 3154844 PJUSLWPIIRXNFJ-AREMUKBSSA-N 420.553 6.855 30 40 HKEB COc1ccc(/N=c2\scc(-c3cccs3)n2/N=C(\C)c2ccncc2)cc1 5444448 UVZNWDGWSAVWNR-IILZJKCVSA-N 406.536 5.186 30 40 HKEB Cc1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Cl 5571067 FTPRNKLQXYNLQV-TURZUDJPSA-N 411.936 7.564 30 40 HKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1Cl 6233199 IJMRKZPBONKXLJ-CQSZACIVSA-N 416.974 5.750 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2C#N)C1 6824566 IMQCBCHUPZFJES-ZDUSSCGKSA-N 411.596 5.169 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(Nc2cccc(C(F)(F)F)c2)=NC1=O 6856125 GFXNZJXNLMUSJK-GZTJUZNOSA-N 404.413 5.353 30 40 HKEB COc1cccc(N2C(S)=N/C(=N\c3c(C)cccc3C)[C@@]23CCOC(C)(C)C3)c1 6898322 KUEHFIAICQJSIN-DEOSSOPVSA-N 423.582 5.476 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)cc1 8844534 PBWYCJVPCRZWAC-UHFFFAOYSA-N 415.449 5.030 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccc(Cl)cc1Cl 12428482 HICKBPILCIFNAF-FZZGJVLGSA-N 405.100 6.015 30 40 HKEB COc1cc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC 12792998 FQYAVIAPUAESNL-GQCTYLIASA-N 417.255 5.117 30 40 HKEB CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C 17091640 MLKUQGRBKYSZFA-MOPNHQNYSA-N 418.585 5.557 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 34112431 PROGDNSPTJYDEC-YHSZCRTBSA-N 424.487 6.112 30 40 HKEB CCCCCCCCOc1ccc(/C=N/c2ccc(/C=C/C(=O)OCC)cc2)cc1 68569021 AODQPEYJWVSBSM-BQMLBISHSA-N 407.554 6.753 30 40 HKEB CCOc1cc(/C=N/c2nnc[nH]2)cc(Cl)c1OCc1cccc2ccccc12 100231652 YXKRWTGAHRFNBV-WYMPLXKRSA-N 406.873 5.340 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccccc1I 106439696 BZEVBRZFSHUAKT-MTJSOVHGSA-N 408.258 5.090 30 40 HKEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623612 SGGXHDFYTLQSQX-UHFFFAOYSA-N 420.745 5.345 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408737443 ASCZWRWDHNTSEW-YDZHTSKRSA-N 410.315 5.566 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 408908017 DDLYUSCAQGCQMA-JLOZXLPYSA-N 400.547 6.551 30 40 HKEB C/N=C1/S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1C 408929229 ILGSMPXJENYEDZ-HRRUJZEASA-N 411.530 5.375 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 408939974 SZDPSAQMJJGGFC-GMTWQGPYSA-N 422.528 6.359 30 40 HKEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 408968428 WOTIPYPUXVQSNC-JTMDUIFQSA-N 408.567 6.002 30 40 HKEB C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 409066394 OOVGIOYEGJLSHK-UHFFFAOYSA-N 420.505 5.117 30 40 HKEB CCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 504743119 XWPFMVUGKIJWQK-VFPFNLLGSA-N 414.630 6.647 30 40 HKEB COc1ccccc1/N=C/c1ccccc1OC(=O)c1ccccc1Br 1464814 GMXXRPAXJLRTDJ-OEAKJJBVSA-N 410.267 5.428 30 40 HKEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)cc1 2450042 RRTMEVSYHBITBH-UHFFFAOYSA-N 424.573 6.396 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C#N)C1 2737517 IANPUPPMSFAPCB-OAHLLOKOSA-N 412.555 5.430 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2c(F)cccc2Cl)c1=O 3128252 HHCPHBYBASUEHV-UHFFFAOYSA-N 407.659 5.535 30 40 HKEB COc1ccc(Br)c2c1/C(=N\OC(=O)c1cccc3ccccc13)CC2 4680022 LNZAIAYGKDXOMO-NKFKGCMQSA-N 410.267 5.118 30 40 HKEB CCc1cc2c(N/N=C3\C[C@H](c4ccccc4)Oc4ccc(C)cc43)ncnc2s1 5719351 LMWJINSYVSSFOJ-JQYNYKRXSA-N 414.534 5.902 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccccc1OC 6076794 LVVNDASPWBDLOR-MRXNPFEDSA-N 407.539 5.066 30 40 HKEB CC(C)c1ccc([C@@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1 6245628 GMUZTVNYEPTTKY-LJQANCHMSA-N 411.589 7.492 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OC/C=C/c3ccccc3)ccc21 9051623 HXEHXMIQSMUGCK-PQDVAEEHSA-N 423.295 6.702 30 40 HKEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 9157926 TXSLHSGXRHRLRW-QFIPXVFZSA-N 417.896 5.345 30 40 HKEB Clc1cccc(Cl)c1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 9845865 QCDOOUDZGASSMJ-AFUMVMLFSA-N 424.356 7.230 30 40 HKEB O=C(COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O)OCc1ccccc1 13654195 CTUALTFNXNWHTO-UUYOSTAYSA-N 420.848 5.078 30 40 HKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 14361422 JYCMGYHFJFBPOG-YRNVUSSQSA-N 420.446 5.859 30 40 HKEB C=CCc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1OC 14400696 FXACNHYLZJWBHY-UHFFFAOYSA-N 410.366 5.394 30 40 HKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccc(C)cc1 19900776 IVHSKIZGUUENDU-UHFFFAOYSA-N 413.521 5.367 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccc(Cl)cc1 59435510 OVBBQLYZYUNMBG-WINMZROPSA-N 417.940 5.416 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OC 213158783 PWGWQRJGBWCAJI-NVZLDUMVSA-N 410.539 5.280 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(NC(C)=O)cc1 254353221 VLKKJRYAGFBBEU-UHFFFAOYSA-N 418.349 5.900 30 40 HKEB N#Cc1ccccc1CO/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 408595168 KXCGBMTWPKKSNX-OCSSWDANSA-N 417.468 5.713 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)N1CC 408855680 GFHAKZMXARLOOA-NKHYKUCGSA-N 422.381 5.713 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl 408911447 NIUYKSBSPJCTGW-JJFYIABZSA-N 403.269 5.755 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1cccc(C(=O)O)c1 409062662 YOGKCHHTMIHOIW-PEOCZFDFSA-N 424.522 5.044 30 40 HKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/Nc1ncccc1[N+](=O)[O-] 409106031 MDLAZBOFEXHALD-JFLMPSFJSA-N 423.432 5.040 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 409213182 RJVYMCZDKLECMS-IZGWQLHLSA-N 402.563 6.683 30 40 HKEB Cc1c(Cl)cccc1/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409214816 YJIIBRBHMSSBFM-UUYOSTAYSA-N 411.801 6.008 30 40 HKEB COc1ccc(/N=C(/Sc2nc3ccccc3o2)c2cccc([N+](=O)[O-])c2)cc1 2269831 XXJUHOLKUVXDIO-LSDHQDQOSA-N 405.435 5.615 30 40 HKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2c1 2740805 KIZMYOHRYJHAKC-JTQLQIEISA-N 400.956 6.173 30 40 HKEB CC[N+](CC)(CC#N)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3166846 XXFOWIYFQZQZMC-UHFFFAOYSA-N 422.489 5.262 30 40 HKEB CC[C@](C)(C#CCN1CCC(Cc2ccccc2)CC1)OCCOCc1ccccc1 4174261 KNXHDYRDDFMBDU-MUUNZHRXSA-N 419.609 5.347 30 40 HKEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1 4273199 ORUPMFKNOLEWLX-UHFFFAOYSA-N 404.882 5.063 30 40 HKEB Cc1ccccc1NC(=O)c1ccc(N/N=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4524349 XKDQWMPATVLMFQ-YDZHTSKRSA-N 408.845 5.255 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C\c2ccc(C)o2)sc2c1CC[C@@H](C)C2 4545645 NCZUAVTYTIFJAP-GKBXUSSOSA-N 408.523 5.786 30 40 HKEB CCCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1 4866156 UNMHQHGWAVGEOA-UHFFFAOYSA-N 411.549 6.938 30 40 HKEB COc1cccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944873 ILCDSNXRXPUGBH-GOSISDBHSA-N 423.484 5.007 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc(C)cc4)c3c2C1 5054646 ZLRKEESVQBLHOE-GEGDGZKASA-N 406.599 6.377 30 40 HKEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccccc2)o1 6303791 LMJBAFBJSQSOCM-MBZZRXAISA-N 415.518 5.009 30 40 HKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(OC(F)F)cc3)C(=O)N2C2CC2)cc1 6404490 IZFFVLFLLPFIKS-UQACLUTFSA-N 400.450 5.363 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 8811678 LLZHKJUPUIPPSA-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 9262764 VDAVIIOQCWWFGG-OQLLNIDSSA-N 424.703 5.585 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1cccc(Cl)c1Cl 12467078 FLLUVGJIVYQTKS-SCDVKCJHSA-N 418.136 5.730 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)O2 18197136 RIIRGVOOOZCJGA-QFIPXVFZSA-N 404.897 5.425 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCc1ccc(F)cc1 33324439 WYFLQYJGAVOACE-UHFFFAOYSA-N 423.831 5.790 30 40 HKEB CCCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71788197 LSMLSLHVRMSYPT-HSZRJFAPSA-N 409.526 5.729 30 40 HKEB COc1cc(NC(=O)c2ccccc2)c(OC)cc1/N=C/c1cc(Cl)ccc1O 97931227 VEXSPGAZRSPIBF-ZMOGYAJESA-N 410.857 5.066 30 40 HKEB CCCCCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 98043789 HOYNZWRMBYCLFF-LPXKIKMRSA-N 407.642 7.216 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1 102449844 KRUPAYPFWTUIPT-IBGZPJMESA-N 419.912 5.020 30 40 HKEB CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 123232391 SQQPSUJRXSKDHI-VXKXQDQMSA-N 416.690 7.254 30 40 HKEB CCn1c(N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)nc2ccccc21 408692538 OQHIZMGRWINLHY-JFLMPSFJSA-N 411.484 5.644 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)S2)c(C)c1 408723822 RROVGHQHPPGZQV-UDWIEESQSA-N 408.910 6.108 30 40 HKEB C=CCn1c(C)c(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c2ccccc21 408820773 YLISCPOTBDMCTO-UHFFFAOYSA-N 422.961 5.861 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 408917243 PRABNQDAMQDXKK-BUVRLJJBSA-N 422.509 5.512 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 408930730 BHCMBXPONJRERK-OEAKJJBVSA-N 411.845 5.095 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1N1CCCC1 409060569 URVIYEIZCUWCON-BWJYWGHISA-N 405.611 6.430 30 40 HKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)c1 409094679 GAEBYRMOFWTARF-PGGKNCGUSA-N 409.751 5.158 30 40 HKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl 409100112 PXDYBFIUNXKYTD-LSHDLFTRSA-N 404.257 5.150 30 40 HKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 409202046 OHNFIBWSYMFMHB-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 409210204 IRCPUDYVXFJFJY-WGOQTCKBSA-N 409.913 6.467 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409216708 KHTKKCZWLJYXFD-MFKUBSTISA-N 424.338 6.350 30 40 HKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C1CCCC1 409401052 ABHAJLBKUJLYKN-UHFFFAOYSA-N 410.521 5.479 30 40 HKEB CC[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 1078239 KGZBSZSTTNWULN-GBXCKJPGSA-N 403.522 5.495 30 40 HKEB Brc1ccc(-c2ccc(/C=N/c3ccc4c(c3)oc3ccccc34)o2)cc1 3049712 WERSYUCPDLVKOZ-AFUMVMLFSA-N 416.274 7.359 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O 3066624 YGEFPEHMLDEDAK-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB CCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 5872869 RPWWRJNRDICVPN-HMMYKYKNSA-N 414.417 5.558 30 40 HKEB COc1ccc(/C(C)=N/N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 6982541 AKAGYCRVBCCFFV-WWSMBHJHSA-N 403.507 5.191 30 40 HKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)c1 8811296 JMBNLYVZWNUIQB-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1 13690144 VNPFNJUKPAQCJP-QHCPKHFHSA-N 424.541 6.334 30 40 HKEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])O2 16577833 ZZURGLVLOGGSOR-BPZWNLCQSA-N 411.889 5.599 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c2ccccc21 28182781 RGVCCDYOTZZXDO-ZKDCOOFMSA-N 416.521 5.215 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1C 33766094 PJHSRQIMRCARLG-BEIQUOEZSA-N 407.564 5.545 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4C(=O)C[C@]3(C)C2=O)cc1 118929752 CQVMAUWRXFAQSM-ZMXISURXSA-N 406.566 5.869 30 40 HKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767153 VQEQUCCJBAVPQV-UHFFFAOYSA-N 403.309 5.714 30 40 HKEB C=C1[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OCCN4CCCCC4)OCC[C@@]3(C2)[C@@H]1C 257253319 JYKXZIIUIQUJJF-LIYDGPOYSA-N 411.586 5.240 30 40 HKEB O=C(/C=C/Nc1ccc(I)cc1)c1ccc(Cl)cc1Cl 409189652 MGJGQBJSHXWXDU-BQYQJAHWSA-N 418.061 5.407 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC 409383449 YAHYHNKBOOIOGO-MOROIOLQSA-N 408.929 7.020 30 40 HKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2ccc(Br)cc2)c1 3211770 XIMPACRXDFSJDN-ZVHZXABRSA-N 404.263 5.973 30 40 HKEB COc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 3669214 JZVXSEVMYXEQSY-AFUMVMLFSA-N 421.905 6.533 30 40 HKEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4705105 PMWFWRORVGDCCT-UVHMKAGCSA-N 407.480 6.237 30 40 HKEB COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 5541198 ZXOATCSQKGNJET-MBEXHQGOSA-N 405.925 6.382 30 40 HKEB CCOC(=O)/C=C/c1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 5546196 KCVVHJMNQNZXEE-JUKXXBMLSA-N 406.865 6.072 30 40 HKEB C(=N/Nc1nc(-c2ccccc2)cs1)\c1cn(Cc2ccccc2)c2ccccc12 5572156 DISVWBQKXWUUFC-CVKSISIWSA-N 408.530 6.259 30 40 HKEB CCCCCc1ccc(C(=O)/C(Br)=C/c2ccc([N+](=O)[O-])cc2)cc1 6656150 NIYPFJNHRATVJY-RGEXLXHISA-N 402.288 5.946 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1OC 8765003 PAAAYAWBBNGPCZ-VSCIQPPNSA-N 414.457 5.412 30 40 HKEB biogenic O=C(O)c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl 9195584 FIAXACWKNMVPBA-NUGSKGIGSA-N 423.683 5.729 30 40 HKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4ccccc4[C@H]3C2)cc1 12194149 CGVPXPQHTVZFKS-NOZRDPDXSA-N 416.908 6.147 30 40 HKEB O=[N+]([O-])c1ccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1 12957746 YKMWMQLDZNVGMY-SRZZPIQSSA-N 412.858 5.175 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 13476658 LZZOCXRNYVUYKS-FSJBWODESA-N 403.394 5.176 30 40 HKEB C[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc23)C1=O 13596377 JUTYACOWFIRTEB-ZSIROEOLSA-N 423.541 5.847 30 40 HKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C/C1=N/Nc1ccccc1 16970193 ZXQLPFHZTSVVFY-YQBWXBSKSA-N 414.552 7.509 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 18196926 METDOVPKJJTPSF-IBGZPJMESA-N 404.293 5.575 30 40 HKEB CCCc1ccc(-c2ccc(C(=O)/C(=C/N(C)C)c3ccc(Cl)cc3)cc2)c(F)c1 29763575 BUECWALTNLBQET-JJIBRWJFSA-N 421.943 6.884 30 40 HKEB Cc1cc(C)cc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 32984321 ZFDZJJOCNCYXMX-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 34378481 WTXCCRJQCPCOEX-LSIOVLHASA-N 409.555 5.028 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 51366936 DCQBXIAHENZUTI-MJHJUBQXSA-N 407.564 5.536 30 40 HKEB CCCCCCCCC(=O)OC[C@H](C)OC[C@H](C)OC(=O)CCCCCCCC 100050300 FJSNTQXNQNSZJS-VXKWHMMOSA-N 414.627 6.368 30 40 HKEB CCCCCCCOc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1 102057798 MWLZUMQIKQHRFQ-UHFFFAOYSA-N 415.533 6.661 30 40 HKEB CCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 103017083 NUQYRGSKPHWOGL-UHFFFAOYSA-N 413.517 6.794 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC=O)CC[C@]34C)[C@@H]1CC=C2C#Cc1ccccc1 118915007 AHMJMFJZNJAALU-FXFYXNLOSA-N 402.578 6.159 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 408591242 JDGNQKPGZCTLIO-DHRITJCHSA-N 403.413 5.288 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc4[nH]c5ccccc5c4c3)S2)cc1Cl 408739660 YNCQIPYAXNGJRS-NHDPSOOVSA-N 417.921 6.175 30 40 HKEB C=CCc1cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OCC(=O)O 408819734 RNWMWFGBXDYMPF-YSMPRRRNSA-N 418.493 5.045 30 40 HKEB Cc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408900632 XAWPFONHBIBUSQ-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2cc(Br)c(Br)o2)cc1 408932465 CEXLDPYLQUHYBX-FXBPXSCXSA-N 412.003 5.269 30 40 HKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1Cl 408939090 LQFBLTUPMUQNQD-OVCLIPMQSA-N 406.265 5.287 30 40 HKEB COc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 409103329 GOWKEQOARRHFGH-CCEZHUSRSA-N 405.450 5.313 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1 409114497 KBBGCGXNCVTEEG-UHFFFAOYSA-N 403.522 6.014 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 409214241 XAKMTKXLAIBZEM-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)S/C1=N/c1ccc(OC)cc1 409252358 XKWLPJJKRANQDR-BUUFFXLRSA-N 403.507 5.110 30 40 HKEB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1 409349147 USDYKKZVMVSKQY-NDENLUEZSA-N 402.500 5.533 30 40 HKEB Cc1cc2c(cc1C)NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC(O)=N2 3090365 MDOULRCOFGPMKF-UHFFFAOYSA-N 406.248 5.669 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1OC(=O)c1c(Cl)cccc1Cl 3125647 FWFZGXIULDKZNH-UHFFFAOYSA-N 403.652 5.800 30 40 HKEB C(=N/N=C/c1ccc(OCc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1 3193180 MREDZLWXXORBND-CZYCKNNWSA-N 420.512 6.298 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccc(Br)cc1 3248011 YAXJDXDXSBEJKW-UHFFFAOYSA-N 424.319 5.829 30 40 HKEB CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1cccc(C(=O)O)c1 4677305 NHORGXJRKUCYQY-ZSICUCBDSA-N 402.475 5.162 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc(C(C)=O)c1C 4739503 FOZFPPQZWFKVLY-IFRROFPPSA-N 400.283 5.199 30 40 HKEB CC(C)c1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc34)CC(C)(C)CC2=O)cc1 6245636 GMUZTVNYEPTTKY-IBGZPJMESA-N 411.589 7.492 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 13476392 BCGBJZXXPPMUIR-AWQFTUOYSA-N 421.196 5.516 30 40 HKEB CCN(CC)c1ccc(/C=C2/CCC/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 33402825 LIFWPLOFXPGAJJ-VQINFILPSA-N 416.609 6.599 30 40 HKEB CCCCCCCCCCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N 97951597 YMYYCJNHEISAHP-UHFFFAOYSA-N 418.647 7.353 30 40 HKEB CC(/N=N/c1cccc2c1NCC=N2)=N\Nc1nc2ccccc2n1Cc1ccccc1 100674304 NQTYTZYHTAXTPH-IFVJPHPOSA-N 422.496 5.742 30 40 HKEB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C\c4ccccc4)cc32)cc1 104335086 SDJXPKUQLHGMCD-IGRXPJQBSA-N 400.525 7.073 30 40 HKEB C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(Br)cc1 254838441 KZQNNFKNZUFTJA-UHFFFAOYSA-N 401.329 5.406 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccccc2)cc1 408722059 CSDSSLPQEZLGBA-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408992816 CGEGPLVTPYFWDJ-CFRMEGHHSA-N 419.510 5.260 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S/C1=N/c1ccc(F)cc1 409254302 WRUGXUKDLSWZOF-CWFNPDHMSA-N 418.493 6.242 30 40 HKEB Cc1cc2c3c(c1)/C(=N/c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2CN1CCCCC1 618257119 ROSBBWDDYLJYEO-NFFVHWSESA-N 417.528 5.263 30 40 HKEB C=CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 1875105 QNSYRLHJSQYAFI-UHFFFAOYSA-N 414.574 5.854 30 40 HKEB biogenic O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1cccc(Cl)c1 4675989 HTRFRWSAHLFODR-CVKSISIWSA-N 400.865 6.202 30 40 HKEB CCN1c2ccccc2C(c2ccc(/N=C/c3ccc(Cl)cc3)cc2)c2ccccc21 4733876 XAVKKTKDOSPZNT-NDZAJKAJSA-N 422.959 7.742 30 40 HKEB Cc1cc(Cl)c(O)c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 5959479 YLBPLNNWJXQHMB-LGJNPRDNSA-N 418.880 6.412 30 40 HKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 6820240 NPBQJFUJSOAEFC-UHFFFAOYSA-N 400.503 5.180 30 40 HKEB CCCCN1C(=O)/C(=C/c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccccc1 12466835 SXYOAJMEZSSOHM-CMXCFCNKSA-N 408.523 5.267 30 40 HKEB C=CCOc1cc(Cl)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC 16688185 QHHDQNAZYPRCAP-SFHVURJKSA-N 407.897 5.931 30 40 HKEB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(C(C)C)cc3)C[C@H]12 36614425 LYWNEJOPIMJYIT-NISWSJAKSA-N 414.589 6.937 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(Oc2ccccc2)c1 59502966 WJTXSRUNDYMDAN-XSFVSMFZSA-N 406.894 6.024 30 40 HKEB FC(F)(F)c1c(Cl)c(C(F)(F)F)c(C(F)(F)F)c(Cl)c1C(F)(F)F 97949841 HTIZLFZJRYZCET-UHFFFAOYSA-N 418.992 7.069 30 40 HKEB N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 213164280 BCWKKVBCIXKVGK-CVXQDMMISA-N 411.486 5.398 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 408590833 IDSKAGUYYMYFTJ-AUEPDCJTSA-N 416.220 5.584 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(C)cc1 408590845 IIPOXSSANOHVDJ-JVWAILMASA-N 400.478 5.395 30 40 HKEB Cc1ccc(-c2cc(/N=C/c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 408737077 HRIXBFUVJJOAPF-PCLIKHOPSA-N 416.322 6.361 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408960436 LSDGZHUNYFMTHH-DHRITJCHSA-N 423.852 5.154 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OCC 409041341 VAUWCUZBNRQRPJ-YBEGLDIGSA-N 411.976 5.161 30 40 HKEB O=C1C=C[C@@H](Nc2ccc(Cl)c(Cl)c2)[C@H]1Nc1ccc(Cl)c(Cl)c1 1588912 IBHDFXRFDFEFAS-NVXWUHKLSA-N 402.108 5.700 30 40 HKEB COC(=O)c1cc2ccc(/C=C/C#Cc3c(C)cc(C)cc3C)cc2c2ccccc12 2077643 RKZSUNRBATZZKT-WEVVVXLNSA-N 404.509 6.770 30 40 HKEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c(O)ccc2ccccc12 2284234 LJUIVKXADGNFOU-AFUMVMLFSA-N 401.487 6.201 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)cc1Cl 2358788 NXSJVFVMJVTNOG-SCDVKCJHSA-N 418.136 5.730 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 3050718 YKHFCNKMEJOXQE-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4954232 LFVSLWUHJJBRPP-ZCYQVOJMSA-N 400.453 5.633 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1C1CCCCC1 20057486 SKDVXLOWFLNJGV-PZUCIDFCSA-N 406.507 5.352 30 40 HKEB S=C(N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 33854959 USIJFGMDDKBLAB-HBDSXEKQSA-N 420.152 5.132 30 40 HKEB CCCC/N=C1\S/C(=C/c2ccc(OCCCC)c(OC)c2)C(=O)N1CCCC 35041935 PFZLABRWCQDCRW-MBGJJKHHSA-N 418.603 5.747 30 40 HKEB CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 95889730 VVOIQBFMTVCINR-AKRRVSFLSA-N 414.586 5.293 30 40 HKEB world COc1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccc3ccccc3n2)s1 97958245 CCXFEMAKZRGOOS-BRJLIKDPSA-N 413.424 6.136 30 40 HKEB CCCCCCCCCCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl 102923247 XMTBAZVHWZYYAS-UHFFFAOYSA-N 414.442 7.859 30 40 HKEB O=C1c2ccccc2-c2cc(Br)c(/N=C/c3c[nH]c4ccccc34)cc21 104368733 NYSIUERGBXTIEI-BRJLIKDPSA-N 401.263 5.892 30 40 HKEB CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC[C@@H](O)CO 113362423 XSQSIJOKSPPKKS-ZCJZZKCTSA-N 402.575 5.361 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cccc([N+](=O)[O-])c4O)cc3)nc2c1 254764279 BYZGKOBNDWWMOC-HNNXBMFYSA-N 415.449 6.373 30 40 HKEB Cc1ccc(C(=O)/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408691697 MJQYGKJGILCPMY-WUXMJOGZSA-N 404.378 5.500 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)nc2ccccc21 408692713 SPQMUTMSLLVZRH-YDZHTSKRSA-N 423.314 5.833 30 40 HKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1O 408854795 BLQZCTXGMHXYQZ-MYYYXRDXSA-N 420.534 5.734 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)ccc1O 408907343 BELBOPZBZGLYMS-PZHPEBMISA-N 410.539 5.502 30 40 HKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1Cl 408919287 VWNLLROLRKOAPF-LGJNPRDNSA-N 408.885 6.150 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1O 408979567 RNQLGRIAMKHOQF-YDZHTSKRSA-N 407.495 6.222 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)Nc2ccccc2)C1 409083887 LTADGOBYMDVTHW-GMQKBEEJSA-N 406.551 6.495 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)Nc2ccccc2)C1 409092177 WDORYPLPOGCRFV-MKCIMWKDSA-N 422.619 6.964 30 40 HKEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409101497 YNLFEWDEANXLDM-BHGWPJFGSA-N 422.794 5.812 30 40 HKEB O=C1ON(c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1 1680116 RPXXGOVWXSNRAI-SANMLTNESA-N 422.484 6.343 30 40 HKEB CCOc1ccc(N/C(S)=C(/C(=O)c2cc(C)c(C)cc2C)[n+]2ccccc2)cc1 3295465 SGFWZSFUUQDQAS-UHFFFAOYSA-O 419.570 5.349 30 40 HKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3318717 GEGRFVQCFBCNLO-UHFFFAOYSA-N 423.252 5.014 30 40 HKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 5377488 NKPCGAOAWVPOES-HUDXWJROSA-N 417.509 5.632 30 40 HKEB O=C(/C(Br)=C/c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 6252529 CAGMAWNIEPXDJO-ZHZULCJRSA-N 408.251 5.881 30 40 HKEB N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 7088038 PSCRPRMTQZIAGS-VWLOTQADSA-N 406.489 5.322 30 40 HKEB O=c1oc2ccc(Cl)cc2cc1-c1csc(N/N=C/c2ccc(Cl)cc2)n1 8934279 SKVMXWFQGASMME-LSFURLLWSA-N 416.289 5.669 30 40 HKEB O=C1O[C@@H](C/C(=N/Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 12249666 NETZFBJCDHWTHH-QFBZFQIZSA-N 421.294 5.567 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 13305737 MCVQCSTXUWMIOF-WPWMEQJKSA-N 422.509 6.990 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 18324622 FDSKRIDRRFPXBU-RUZDIDTESA-N 416.565 6.147 30 40 HKEB Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)nc3sc(C)c(C)c23)cc1 22168243 FNFAESHZXVVBPF-INIZCTEOSA-N 424.595 5.352 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(OC(F)F)cc1 25396191 XSLXPUWBUSQRKF-JLHYYAGUSA-N 417.415 5.432 30 40 HKEB COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2C[C@@]3(C)C[C@H]2CC3(C)C)c(OC)c1 103763183 OMZHLAQZLMSZHX-NKLJUQNYSA-N 423.513 5.378 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Sc2ccccc2)o1 107601770 SFBJKYIMINFIQZ-YZSQISJMSA-N 423.497 5.690 30 40 HKEB CCOc1ccc(/C=N/c2ccc(N(CC)CC)cc2)cc1I 165029391 NDWDUPRTIZAWCC-KGENOOAVSA-N 422.310 5.287 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 197527887 LVYKZUOPEBDEOE-DHRITJCHSA-N 404.857 5.955 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 408909524 UUTLJIOIIMAFGW-FTJNEJEMSA-N 400.503 5.499 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 409065527 MIOGNZYJYYRLTE-WGOQTCKBSA-N 416.477 5.970 30 40 HKEB O=C(O)c1cc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Cl 409081124 NAPLUXOJWNIARG-ZMFRSBBQSA-N 409.913 5.962 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 409207872 BTVINICWXFQLIK-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 409210975 MIBHAZAENOPUQT-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc([N+](=O)[O-])cc1 799207 DLABBALACRUBGJ-UHFFFAOYSA-N 421.425 5.901 30 40 HKEB CCCCCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 3670898 GGXSLJIBPXWBFG-KFGJODCASA-N 408.538 5.788 30 40 HKEB C/C(=N\Nc1cc(C)nc(NCc2ccccc2)n1)c1ccc(Cl)c(Cl)c1 4811416 LSMMGDQYSFBURI-VULFUBBASA-N 400.313 5.540 30 40 HKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3ccc(O)cc3O2)N1 6232567 TZYZVFHMXGIUPT-HRAATJIYSA-N 400.569 5.112 30 40 HKEB O=C(C(=NNc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1)c1ccccc1 8398474 BGMIXOMWOGWEKN-UHFFFAOYSA-N 420.468 6.013 30 40 HKEB Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 8439119 XYUULYDQMQOPQB-DARPEHSRSA-N 419.527 5.046 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 8926151 OLGSBBOOFRWAAW-DNQXCXABSA-N 422.864 5.108 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 12956390 CPGRJMNXCBAALR-MPUCSWFWSA-N 406.096 5.831 30 40 HKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C/C1=N/Nc1ccccc1 16970189 ZXQLPFHZTSVVFY-UWKXGJESSA-N 414.552 7.509 30 40 HKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl 33957391 XQQADLVGNFCRTE-ALCNNCAISA-N 424.947 6.516 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 39866976 MMPOIOGZRHWLSB-UHFFFAOYSA-N 414.486 5.595 30 40 HKEB C=CCc1cccc(CNc2nc3ccccc3n2CCCCCCCCC)c1O 97952615 QDEUKZPVWPHDLJ-UHFFFAOYSA-N 405.586 6.833 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103748299 AXEKOKHPZOHONF-LPYMAVHISA-N 407.382 5.363 30 40 HKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccccc4)CC[C@]3(C)[C@H]1CC2 118927631 VYZOPUAZRRVXFL-LFRIZYGCSA-N 416.627 6.193 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1 135987210 IWJGOCHNKWUODK-FTJNEJEMSA-N 400.503 5.812 30 40 HKEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929445 YIESBAJFMOERRZ-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB C=CCOc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cc1 225868141 FNIADWKELYLZSH-UHFFFAOYSA-N 412.555 5.025 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 409348219 RSWZANGHIJOGQS-NDENLUEZSA-N 402.500 5.220 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3cccc(Cl)c3)nc12 1469981 QZAOPYXXDDROML-DHRITJCHSA-N 423.303 5.804 30 40 HKEB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2081414 VAUIKRCUVDVMES-CQSZACIVSA-N 402.947 5.647 30 40 HKEB C=CCc1c(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c2c1C 2201959 CUAQIRCWWAMCPE-UHFFFAOYSA-N 413.546 6.202 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1c(Cl)cccc1Cl 3249872 OSJBTLQCHQLPNQ-UHFFFAOYSA-N 414.313 6.373 30 40 HKEB CCn1c2ccccc2c2cc(NC(=O)CO/N=C/c3ccc(SC)cc3)ccc21 3367582 RQBHMCMMFLJAEF-MFKUBSTISA-N 417.534 5.526 30 40 HKEB CCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl 16609878 XAOPKPMRIYHCBO-DNTJNYDQSA-N 416.102 5.561 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 16977443 DBYHVOFMSRDZEB-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB C=CCn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1ccc(C)cc1 19883799 NNLIRRQBGVBXBY-FCQUAONHSA-N 424.547 5.055 30 40 HKEB C=CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1C1CCCCC1 29277980 QABVPQNGIJUGGR-UHFFFAOYSA-N 415.950 5.508 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 33011200 XVAWOOYYABJMJV-UHFFFAOYSA-N 417.534 5.285 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)NCCC2=CCCCC2)cc1 33354729 HDJQJUPCQGLFDA-UHFFFAOYSA-N 400.607 7.218 30 40 HKEB CCCCCCCCCCC(=O)CCCC(=O)N(c1ccccc1)c1ccccc1 101674692 LSVKGIRSBYQWAM-UHFFFAOYSA-N 407.598 7.622 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 408527840 FTAULMIBZJAKKS-WQRHYEAKSA-N 403.862 5.280 30 40 HKEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cccc1OC 408535819 WXNCLYALPOIPES-PDGQHHTCSA-N 415.898 5.150 30 40 HKEB Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(I)cc1 408781408 CJLUGFVEQBBRMJ-BKUYFWCQSA-N 406.311 5.450 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 408810229 JHSBUNFIPYKURC-STZFKDTASA-N 423.534 5.367 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)cc1 408910300 GSXGELJNASNTJA-NVZLDUMVSA-N 421.522 5.840 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 408913006 OYDVVKHPEDNKAP-KCKSVOGJSA-N 422.550 5.574 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)cc1 409187510 RKBIAPPTLXIFGC-OYKKKHCWSA-N 411.343 6.314 30 40 HKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 409212857 RDBSFRZMZIBEPY-OVVQPSECSA-N 408.505 5.983 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3c(O)ccc4cc([N+](=O)[O-])ccc34)ccc2o1 1884282 HPZZLCGZLXZTLG-VULFUBBASA-N 423.428 6.321 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1C 2364839 MVBQDGLBMRAAMT-UHFFFAOYSA-N 406.555 5.096 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 3211610 WUVWAIIISWKAPW-UHFFFAOYSA-N 412.898 5.874 30 40 HKEB O=C(C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 3279552 LANDUGNEMUDZBB-OBGWFSINSA-N 422.912 6.048 30 40 HKEB S=C(NCc1ccccc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 4512121 GQPFSITWAISRMD-XKZIYDEJSA-N 401.944 5.082 30 40 HKEB C=C1C[C@@]2(c3ccccc3)C(=O)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 4945869 CTODNONTMIKMLW-AJQTZOPKSA-N 424.543 7.016 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 5614593 HMGGAVOWLCZFLZ-OAHLLOKOSA-N 411.596 5.288 30 40 HKEB COc1ccc(C(=O)/C=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 6825576 SZOJTGOCDRRNIE-CAOOACKPSA-N 414.501 6.108 30 40 HKEB C[C@H](/N=C(\S)Nc1ccc(Cl)cc1Cl)[C@H](c1cccs1)N1CCCC1 8692018 XMHYKWUTXHOZPS-YVEFUNNKSA-N 414.427 5.978 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1C(=C(O)c3ccccc31)[C@H]2c1ccc(C(F)(F)F)cc1 9374720 FUYBZKHTRBRBOY-IBGZPJMESA-N 423.434 6.218 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 19847869 QXTJFNRAFHZODL-QKKBWIMNSA-N 413.564 5.043 30 40 HKEB Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C#N)c2c1CCCC2 20590431 VBNDOIWPFYMVAS-UHFFFAOYSA-N 422.576 5.052 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(SCc3ccccc3)nc12 27496679 AOWKZURRTKETGC-AFUMVMLFSA-N 419.937 5.699 30 40 HKEB COc1ccc(-c2nsc(/N=C(\O)c3sc4cc(C)ccc4c3Cl)n2)cc1 27662941 FSLVBFNPTSVARZ-UHFFFAOYSA-N 415.927 6.027 30 40 HKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59679291 OXOVCCDSBVQPAX-LGJNPRDNSA-N 403.869 5.745 30 40 HKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102401889 FSWJSXSJGOQEOW-MOBKVPTQSA-N 401.462 5.025 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1 408758062 GGAZJKHTMQMEHU-HMAPJEAMSA-N 417.534 5.254 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 408968006 YMHXJIIGEOOLOH-FYJGNVAPSA-N 421.953 5.948 30 40 HKEB C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 409031167 JCXDMFBEWMTOCF-XSFVSMFZSA-N 423.438 5.793 30 40 HKEB CC(=O)c1cccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)c1 409033005 DBXKNYKYMOORDF-WMDMUMDLSA-N 423.332 5.011 30 40 HKEB Brc1ccc(OCc2cccc3ccccc23)c(/C=N/c2ccccc2)c1 409211694 NUXWBUIACNZBDG-WGOQTCKBSA-N 416.318 6.932 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(F)cc1 409235353 ZVPYXFQTQJRXCU-LRXZINBSSA-N 406.482 5.611 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCCC4)cc3OC)cc2)cc1 409243954 ZOMYFNQKLAJVQR-ZXVVBBHZSA-N 416.521 6.237 30 40 HKEB CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)SC1=S 409338159 FARXDSWPDQWZMV-CIAFOILYSA-N 417.559 5.091 30 40 HKEB CCCCc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 585293442 HLJOOQVBYZJESC-JOCHJYFZSA-N 418.570 5.228 30 40 HKEB Cc1ccc(N2C(=O)c3ccc(/N=C/c4c(Cl)cccc4Cl)cc3C2=O)cc1 714690 VBLBWBNNOQMAMI-BRJLIKDPSA-N 409.272 5.853 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3)nc2c1 1881403 CSSBNEHCIJMZAA-ZJDMXDFCSA-N 407.300 7.526 30 40 HKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 4855345 FQBBFESCAYSVOS-NTEUORMPSA-N 415.876 5.753 30 40 HKEB Cc1ccc2cc3c(nc2c1)S/C(=N/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 4858986 AZVIZDNJUCAQQV-OCOZRVBESA-N 419.550 5.392 30 40 HKEB Cc1ccccc1N1CCN(c2cc(C(C)C)c(C#N)c3nc4ccccc4n23)CC1 5180311 BYFDNVXRTIKCFZ-UHFFFAOYSA-N 409.537 5.118 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2)cc1 5418882 KIWMLFLDYANTSY-OVVQPSECSA-N 421.924 6.879 30 40 HKEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1CC 5552121 CCZBLYBNBKHMMT-QFGKFHJGSA-N 400.931 5.231 30 40 HKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(OCC)c2O)c1 6396815 QXVMOQMXEYFNMN-LPYMAVHISA-N 419.319 5.433 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cccc(Cl)c1Cl 12139001 KUEQJTNNRGKRJI-UHFFFAOYSA-N 414.317 5.658 30 40 HKEB O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cc(F)ccc1OCc1ccccc1 33376681 IUXBEQMFPFEZON-LUAWRHEFSA-N 400.371 6.320 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59427202 CYOVMBKFHRLTKU-QQXSKIMKSA-N 412.493 6.160 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 59459524 BECWJQPEKVCEPG-FXVMGJAWSA-N 403.913 5.107 30 40 HKEB O=C(/C=C/c1ccc(Cl)c(F)c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 95946349 BTAWOYYFWRFVAN-ACCUITESSA-N 403.840 5.884 30 40 HKEB CCOc1ccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)c(OCC)c1 408719064 AKGWNWPDYJKTKG-WOJGMQOQSA-N 402.903 5.029 30 40 HKEB CCOc1ccc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408818970 ZLACKSAUCAADCF-VWLOTQADSA-N 403.909 6.565 30 40 HKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408937181 IJLMOGTUOCXLKB-VGRWJBQPSA-N 414.936 6.926 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(C)cc1 409079541 KUYQRAWZCDZYEC-JCMHNJIXSA-N 413.473 5.317 30 40 HKEB C#CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Br 409116408 MJSSRGRZUHNGAT-PDGQHHTCSA-N 410.311 5.004 30 40 HKEB O=C(O)c1cc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1Cl 409224435 HPVYYEUNVHYCEV-LGJNPRDNSA-N 406.844 5.931 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 409247635 DYTGGVOTQVCFRJ-DIRPYQRSSA-N 405.498 5.549 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 409347536 MODFOWNPUHXNRD-UHFFFAOYSA-N 416.333 6.476 30 40 HKEB CC(C)(C#N)C(=O)Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1 603947193 NIIRNMIQRBUCMY-UHFFFAOYSA-N 416.333 6.272 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 821763 YBUANEDAIXSCST-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1OC 853126 JYTPXJBJEOPACG-DEOSSOPVSA-N 413.517 6.058 30 40 HKEB COc1ccc(Br)cc1/C=N/c1cccc(-c2cn3ccccc3n2)c1 880828 SEBZCMMVXDSCGX-YDZHTSKRSA-N 406.283 5.523 30 40 HKEB CC(C)(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 2243797 DJKWFDAABPEIBS-OAQYLSRUSA-N 422.739 5.887 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2245438 BQZOTPWBRLJACC-UHFFFAOYSA-N 410.562 5.730 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 2619928 YSQJSSKUYSBGGH-UHFFFAOYSA-N 418.497 5.154 30 40 HKEB N#Cc1ccccc1CSc1nsc(SCc2ccccc2C#N)c1C#N 4891980 ZUDKPYNDOUDEID-UHFFFAOYSA-N 404.545 5.343 30 40 HKEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 5376566 YQESAMQDHXDBJW-XDHOZWIPSA-N 410.882 5.500 30 40 HKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1 7743447 RGUWLQRMIKBLHI-PKNBQFBNSA-N 404.535 5.957 30 40 HKEB Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13552726 UPFGHIIEFMGXHU-SPLOXXLWSA-N 424.859 5.439 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 18166936 ABFQSPBPSJORQW-DEOSSOPVSA-N 404.510 5.248 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)(C)O 26891878 JWUBBDSIWDLEOM-OAIUGLKDSA-N 400.647 6.734 30 40 HKEB biogenic,in-vitro O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1c(F)cccc1Cl 59566987 PMZWFPYIEFEJPV-QPEQYQDCSA-N 401.677 5.678 30 40 HKEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)o2)cc1 96346424 RDSYTMZASBRSOH-QFIPXVFZSA-N 402.542 5.534 30 40 HKEB C=CCOc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100059846 OXHUQUMKFKHFCT-QFIPXVFZSA-N 424.537 5.111 30 40 HKEB CCOC(=O)c1c(/N=C\c2cc(Br)ccc2O)sc2c1CCCC2 100491795 BGZUNEWFFZHVSO-JMIUGGIZSA-N 408.317 5.022 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 102801071 OXRHTNKFQLHOGB-ZHHPLPSFSA-N 405.538 5.812 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)c1nc(Cl)nc(Cl)n1 104047491 NYBWXNWBJRBKRX-UHFFFAOYSA-N 418.477 7.227 30 40 HKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 118922245 GRBHNQFQFHLCHO-PSVPJWARSA-N 424.713 8.233 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 118936296 FEKAJWKTTGKVJA-FRAWHWJMSA-N 415.662 6.925 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757799 GTUGWSNEZVICHF-UHFFFAOYSA-N 421.497 5.342 30 40 HKEB CCOc1ccccc1/N=C\c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12 408542779 LBUDYQUXBUHCIL-YUMHPJSZSA-N 412.489 5.626 30 40 HKEB CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OC 408921256 MPPFVOQDSWBOKU-UHFFFAOYSA-N 423.553 5.307 30 40 HKEB Fc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)cc1 409042966 LYOYBIVNXGCCSJ-DHRITJCHSA-N 400.482 5.884 30 40 HKEB O=[N+]([O-])c1cccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)c1 409102005 ZXLMAEMZTIYOFZ-OPEKNORGSA-N 416.359 5.034 30 40 HKEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc12 409106678 SKBUACOPPTXHNY-WYMPLXKRSA-N 403.360 5.612 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)cc2)cc1 409112567 DZGVEIXGXUWOIW-OPEKNORGSA-N 416.359 5.034 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 409116900 NMIZRYKZCBMMNM-UHFFFAOYSA-N 423.556 7.076 30 40 HKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1N1CCCC1 409286634 WRXMVRBKNNJMSR-UHFFFAOYSA-N 414.553 5.235 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C(C)C)cc3)c3ccccc32)o1 409393377 QQNRGOZIRWSLJM-VULFUBBASA-N 400.478 5.943 30 40 HKEB Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)oc2c1 2166289 MDHZXXCKOHGXPM-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB Oc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1O 2756216 ATQAUMKUZJFCMA-UBKPWBPPSA-N 405.473 5.027 30 40 HKEB C=CCSc1nc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1 3024407 PSDYOMYPVMZXMC-LPYMAVHISA-N 421.503 6.493 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 3044172 OSFBTTUPEXZKOC-GDNBJRDFSA-N 406.326 5.096 30 40 HKEB C=CCN1C=C(c2ccc3ccccc3n2)[C@@H](c2c[nH]c3ccccc23)c2ccccc21 4046853 SPYYPFCUAFMNAH-GDLZYMKVSA-N 413.524 6.895 30 40 HKEB CC(C)(C)C1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 4826410 OFJFTPGESUQDSD-XOBNHNQQSA-N 420.465 5.995 30 40 HKEB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 8811795 OHOOBPADYUCRRW-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1(C#N)CCCCC1 9316385 LMDBCXHNNQJNIS-HNNXBMFYSA-N 422.579 5.182 30 40 HKEB COCCCN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)S/C1=N\c1ccccc1 13881427 LOQGSDMLTYRAPQ-BCZLEZCTSA-N 420.456 5.346 30 40 HKEB Cn1c(=O)c2c(c3ccccc31)OC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(Cl)cc1 18199675 PZTGKFVHEPOHQW-HXUWFJFHSA-N 419.908 5.359 30 40 HKEB CCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797213 JMPBWTXQGDUUMI-HSZRJFAPSA-N 405.498 5.102 30 40 HKEB CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)S/C1=N\c1ccc(OC)cc1 100073437 IFUIOHLYZKLEOY-HHYPSQHASA-N 405.523 5.043 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102856830 PCEHNVGTLCVFLP-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CC[C@H](C)Oc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC 408595729 MPZYVCWKJHWNNH-XMTZNVEYSA-N 417.303 5.057 30 40 HKEB Cc1nc(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)sc1C 408990342 XBIXLKIAQUXTCX-LSHDLFTRSA-N 406.338 6.092 30 40 HKEB CCOc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1cccc(C)c1 409025339 UEMLLYHELSQMHP-YDZHTSKRSA-N 409.511 5.132 30 40 HKEB COc1cc(C)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C(C)C 409087595 CEGXWPWHARUFNA-JYSLEBDSSA-N 408.611 6.962 30 40 HKEB N#Cc1c(/N=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)sc2c1CCCC2 409119599 XCFAALLZZXTRPW-ZVHZXABRSA-N 419.531 6.309 30 40 HKEB CCc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)cc1 2310294 KSQOBFQMSCGEJL-UHFFFAOYSA-N 417.534 5.385 30 40 HKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(Cl)cc2)S1 2362211 NSNHUPPGPYPGJK-MNAVYHJGSA-N 414.745 6.304 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1Br 6240643 WMAAXKZAHXWNEJ-ZVHZXABRSA-N 406.283 5.346 30 40 HKEB Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1 9195635 RDIBGHWEJADDJR-LSHDLFTRSA-N 404.253 5.594 30 40 HKEB C/N=C1/S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C 12372370 VQKODWMVSQZFRY-AGSDWXNQSA-N 409.942 5.183 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc1OC 13787149 VIILBPDTAHYBGA-FMCGGJTJSA-N 406.409 5.038 30 40 HKEB O/N=C/c1ccccc1OCc1nc2ccccc2nc1Cc1ccc(Cl)cc1 16449070 VSANYBJJVBUYNK-AFUMVMLFSA-N 403.869 5.261 30 40 HKEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CC 35041780 PKWPZMFINBJVNP-TZIVZOBOSA-N 400.931 5.231 30 40 HKEB O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 59596714 MZHLNRBELCPHKG-WSDLNYQXSA-N 421.800 5.222 30 40 HKEB CN1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C(F)(F)F)o3)c2C#N)C1 96247369 QMHKKPRFMFVDDR-KBKYJPHKSA-N 415.440 5.637 30 40 HKEB CCCCCCCCN1CCc2c(C)nc3c(-c4ccc(OC)c(OC)c4)cnn3c21 100313010 GKQVVONZSDPWRC-UHFFFAOYSA-N 422.573 5.445 30 40 HKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(C)cc1 107717112 QTTWXMYOWRTHDA-UHFFFAOYSA-N 415.562 6.105 30 40 HKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 408595152 VRWHDUOLBTUJSI-ZVHZXABRSA-N 406.438 5.042 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1O 408855822 FSTSMCMOXBIMOG-GUKOSCHXSA-N 422.550 5.584 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OCCC)cc2)S/C1=N\c1ccc(C)cc1 408909900 HUJPXJXCGIZHHL-AIQBXGKYSA-N 408.567 6.188 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OCC 408911151 JBEOWCQBVNDZRI-LBMUFILHSA-N 424.566 5.805 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OC 408915635 QISSNSZNWWAHAC-NFEGURHZSA-N 410.539 5.415 30 40 HKEB O/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 409048822 UEQCWAQIHLQOBR-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc2ccccc12 409085061 RFDLDYKSMUDZTM-ULJHMMPZSA-N 405.453 5.763 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 409215137 XDXHEQNOZRVSAP-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1ccsc1 1079533 JAYXKFSQILDIKZ-INIZCTEOSA-N 419.468 5.931 30 40 HKEB O=C(Nc1cc(/N=C/c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl)c1ccccc1 1228423 CVITWYFOKQIAFS-FSJBWODESA-N 414.248 5.905 30 40 HKEB C#CCOc1ccc(-c2nnc(Nc3ccc(NC(C)=O)cc3)c3ccccc23)cc1 2366872 ZJQHUGBCROKPAP-UHFFFAOYSA-N 408.461 5.011 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 4748549 OKOJUWDCLMZHNF-WPWMEQJKSA-N 409.449 5.555 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 5667469 HHNZRANTXJYIIH-MFKUBSTISA-N 413.412 5.304 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 6087426 HFQLIZOKIQRIEX-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1ccccc1[C@@H]1C(/C=N/c2ccccc2)=C(c2ccccc2)Oc2ccccc21 6303056 UKOMLMMTFAOXDE-LUJVFJMUSA-N 401.509 7.333 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OC(=O)C3CCCCC3)ccc21 13779122 DWKHDLHVTAIIKU-JMIUGGIZSA-N 417.288 6.095 30 40 HKEB CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 18182178 IUEDIFOODUOALH-CCLHPLFOSA-N 409.533 5.732 30 40 HKEB CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N 33324475 WDCVOWUDVMXEIA-UHFFFAOYSA-N 419.868 5.675 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)o2)cc1 59137851 XRXJNINHJMFOMT-MOSHPQCFSA-N 420.559 6.248 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)c1 98087422 AGPWYXVBKMGVLD-HAHDFKILSA-N 414.530 5.774 30 40 HKEB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)ccc1O 104068336 ODBLWNGUULTYOU-OAQYLSRUSA-N 415.489 5.569 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)o1 108975482 KIUZIDXIWNRECW-COTUQWOHSA-N 411.464 5.038 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccccc1 408528017 BYVXEEVRJKQVMV-STZFKDTASA-N 420.921 5.811 30 40 HKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(F)cc1 408738459 XQMFYGAWONLFBM-WSDLNYQXSA-N 418.253 5.588 30 40 HKEB Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1 408775356 GTRXGKUAICTUTI-NVNXTCNLSA-N 423.719 5.008 30 40 HKEB N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408810754 JRVNQHVULFBTNX-HMAPJEAMSA-N 412.470 5.378 30 40 HKEB CCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 408895453 HSVWXGGSGXOHBW-UHFFFAOYSA-N 407.554 5.449 30 40 HKEB O=C1/C(=C\c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408909448 UKVNILDAXAXBIH-AIQBXGKYSA-N 400.503 5.239 30 40 HKEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 408912964 OUGGWVPRSQNFRH-OBUXZSPNSA-N 420.578 6.330 30 40 HKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 408934174 LMBAJTROQNXGQK-WPWMEQJKSA-N 406.441 6.339 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409215472 ZOLVNYQCUDBDNU-YBFXNURJSA-N 406.850 5.713 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(F)cc1 409246859 FLALICLIMNPMIB-FGVWYHQHSA-N 405.292 5.212 30 40 HKEB COc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc1OCc1ccccc1 2324741 LTCGAUWPJQSSCA-IWIPYMOSSA-N 416.506 5.077 30 40 HKEB CCOC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 3104587 SBVOTFBKOXBUDX-UHFFFAOYSA-N 412.367 5.608 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)c(Cl)c1 4047971 BFXKJFLZGWABFK-LSFURLLWSA-N 404.257 5.150 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccc2ccccc12 4420925 ICGAWFWSNZICPH-HHHXNRCGSA-N 403.525 7.194 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C(/C=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1 5514099 PXWNEGDZRQSNND-RXGUJCRQSA-N 400.441 5.156 30 40 HKEB CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 6049042 CUSZCVQWDUUFSZ-VZUCSPMQSA-N 419.506 5.730 30 40 HKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1cccc2ccccc12 6653370 SSZNQJCZNMKBNG-UHFFFAOYSA-N 415.562 6.051 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1ccc(Cl)c(Cl)c1 12464587 FSYBTMRFJHXAIQ-SCDVKCJHSA-N 418.136 5.730 30 40 HKEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 13768548 LHFFOTMDPNCIOU-OCKHKDLRSA-N 401.256 5.029 30 40 HKEB CCc1ccc(/N=C2/S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 13940967 WNFCAXDYDYQIIQ-ASAQIREPSA-N 408.567 5.923 30 40 HKEB Cc1nc(Cc2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)cs1 14189812 BERDUDFRRQQYOB-UHFFFAOYSA-N 404.520 5.256 30 40 HKEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N(CCC(C)C)CCC(C)C 15906746 XQRZLFYRYLIBDO-LGUFXXKBSA-N 415.500 5.388 30 40 HKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 59104530 JFEPAKWAHMULET-LPYMAVHISA-N 402.723 5.710 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4cc(C)cc(C)c4)NC3=O)o2)cc1 59137835 CHEDMCVDTJYOJL-MOSHPQCFSA-N 420.559 6.248 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(Cl)c1 59484602 FTBJDHWJFDBRHN-UHFFFAOYSA-N 402.910 5.752 30 40 HKEB OC1=NC(=N\c2cccc(Br)c2)/C(=C\c2ccc3nccnc3c2)S1 95477028 BXHQDCWWSCMCBR-CXUHLZMHSA-N 411.284 5.124 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O 100071639 FGJOQQQRZNFKBP-QFIPXVFZSA-N 421.626 5.783 30 40 HKEB CC1CCN(CN2C(=O)/C(=N/c3ccc(F)c(C(F)(F)F)c3)c3ccccc32)CC1 100153268 ZJZFUQGEAZCRHC-NHFJDJAPSA-N 419.422 5.001 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)cc1 100212139 KDASXOXDCDRVIF-OVVQPSECSA-N 417.553 5.868 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 100856324 SSJPDCKMAINEQR-PYCFMQQDSA-N 409.551 6.667 30 40 HKEB O=C(Nc1cc(Cl)ccc1Cl)/C(=N/Nc1ccccc1)C(=O)c1ccccc1 101426321 KYFHFSDDSSLPNX-LGUFXXKBSA-N 412.276 5.283 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 144240768 TZSONSMRLIPUID-OVVQPSECSA-N 401.554 5.552 30 40 HKEB CCN(Cc1ccccc1)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 299888797 YBXCUOANNJNYCV-UHFFFAOYSA-N 405.545 6.885 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC 408620345 LYKCUWBUIMOEDV-UHFFFAOYSA-N 418.331 5.788 30 40 HKEB CCc1ccc(/C(C)=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 408736866 AAYGTDNUWWBMTE-LPYMAVHISA-N 400.345 5.971 30 40 HKEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OC(C)C 408848204 QSQKLYHPVWPGJE-ODLFYWEKSA-N 416.930 5.336 30 40 HKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408941038 JKYZENFJZFKTJH-WGARJPEWSA-N 402.881 6.350 30 40 HKEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)c1 409067730 ZDKFIIUONXCKHC-ROTLSHHCSA-N 424.909 5.949 30 40 HKEB COc1cc2c(cc1OC)/C(=N/c1ccc(Br)cc1)NC1(CCCC1)C2 1438368 JIZCQADYUUWYKP-UHFFFAOYSA-N 415.331 5.003 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 2059232 OKGAMBZFPNJGBE-DEOSSOPVSA-N 422.355 7.456 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc(F)cc1 5376994 SUUHRQPXGAVKJB-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C 9196578 HWQHPYMODAWENO-OPEKNORGSA-N 420.771 6.486 30 40 HKEB CCCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197149 MYRRLLCBXUYKCR-LSHDLFTRSA-N 401.721 5.568 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2cccc(F)c2)c1 12428790 CXTXRBVRKRDMMY-OPEKNORGSA-N 420.318 6.001 30 40 HKEB FC(F)Sc1ccc(N/C(S)=N\C(c2ccccc2)c2ccccc2)cc1 13636254 YHEVAESBVDQASK-UHFFFAOYSA-N 400.519 6.489 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4ccc(C)c(C)c4)o3)nc2C#N)cc1 33027060 LLCDZQAVCVOLJD-UHFFFAOYSA-N 415.449 5.754 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C 33919719 HIBONOLURYFSEI-ZMPCKTLKSA-N 421.591 5.854 30 40 HKEB C=CCSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1 59489744 SRJDQERKVHYOEX-UHFFFAOYSA-N 402.500 5.528 30 40 HKEB CCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 97998513 MEUVZOWMYHMWKO-UHFFFAOYSA-N 410.562 5.874 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N/c1ccccc1 100297115 SXYOAJMEZSSOHM-KEWIZWJQSA-N 408.523 5.267 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc(Cl)cn1)C(=O)c1ccccc1-2 100859155 KFTDVDSVKLVSDK-WJDWOHSUSA-N 408.841 5.129 30 40 HKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408538890 CYVMEQMAESWHKB-HMMYKYKNSA-N 414.958 6.191 30 40 HKEB O=C(/C=C/Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1 409073933 UUIPCSVUTPDNJI-BQYQJAHWSA-N 415.512 5.674 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 409214413 UXKSDHMGXAYZGV-VULFUBBASA-N 414.332 7.030 30 40 HKEB C=CCn1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409288425 HHCKAPONQZTPRJ-UHFFFAOYSA-N 410.521 5.467 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384446 CAVLKYLFUYSCCP-MSXFZWOLSA-N 412.942 6.137 30 40 HKEB N#Cc1c(NC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 936455 YDRNLJAPQVHOSD-UHFFFAOYSA-N 418.518 5.095 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 2453299 VNRBXWVVNPVAIQ-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 3113755 RNFJCLCKOHPZOG-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB CCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2)c2nc3ccccc3o2)cc1 4523260 AGNUDXZJENZPBB-XLNRJJMWSA-N 413.473 6.049 30 40 HKEB C=CCCCCCCCC(=O)Nc1ccc(N(c2ccncc2)c2ccccn2)nc1 4531942 WYOWTZYCIKRFOT-UHFFFAOYSA-N 415.541 6.197 30 40 HKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc([N+](=O)[O-])cc1 6685322 RQJPCDNMBGUXPJ-ZMOGYAJESA-N 403.467 5.411 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O 13601815 OHKYACABFVEKIS-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB COc1ccc(C(=O)/C=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 15109915 FVCQROPCLGRKGV-STZFKDTASA-N 403.865 5.162 30 40 HKEB Cc1ccc(CN2CCN(/N=C\c3cccc(OCc4ccccc4)c3)CC2)c(C)c1 15745904 JOMPLBCMTNCZMV-USHMODERSA-N 413.565 5.034 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1 17092952 XROOSQYDWXEWAK-NSHDSACASA-N 422.381 6.722 30 40 HKEB O=C(/C=C(/C=C(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 17377412 YMWPFYLPHXCDDY-QYQHSDTDSA-N 401.509 6.997 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3cc(Cl)cc(Cl)c3)NC2=O)c2ccccc21 27533724 ANPDFCKMZBGFJL-UBKPWBPPSA-N 402.306 5.377 30 40 HKEB Cc1sc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(C#N)c1C 95349535 PHQSPPBLBIBLLE-UHFFFAOYSA-N 414.861 6.376 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(C)cc2)c1O 100222703 QAYBQQSIZDDYCX-MZJWZYIUSA-N 415.411 6.661 30 40 HKEB N#Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 226364346 FEZYBCWPXXEUSM-UHFFFAOYSA-N 401.485 5.316 30 40 HKEB COc1cc([N+](=O)[O-])c(/C=N/[C@@H](C)Cc2c[nH]c3cc(Cl)c(F)cc23)cc1Cl 261507808 MNEZFIZYWHHQAU-ABTNGYCASA-N 424.259 5.581 30 40 HKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931049 GLXOPOJREPWTCN-OEAKJJBVSA-N 411.845 5.095 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3)o2)c(Br)c1 408939620 TUOQTOIUBUTUDQ-BHGWPJFGSA-N 423.232 6.482 30 40 HKEB Cc1c(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1 409076209 ZPVMGUICRLHYGF-DHRITJCHSA-N 419.872 5.401 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCCC2)c(F)c1 409097549 MMPQRMXBTRRIDA-WYMPLXKRSA-N 410.371 5.189 30 40 HKEB C=CCOc1c(Br)cc(CNc2cccc(C)c2)cc1Br 409122302 XNCPERHUYNWNIX-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)N2C)cc1 409167903 KACYUPCGHDMVGB-QVAAVVQOSA-N 418.474 5.187 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1Cl 409217781 WNKWKEPFNXBXOF-DHRITJCHSA-N 413.304 6.070 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc(O)c(O)c3)c(C#N)c2-c2ccc(C)cc2)cc1 409350014 SGNDOYFXOQZXPO-RWPZCVJISA-N 408.457 6.264 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(Br)c2)c2ccccc21 1762035 FOTQBWNOKXNASN-JOCHJYFZSA-N 420.331 6.316 30 40 HKEB CCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060507 MWOYFIQIDIYYBC-QFIPXVFZSA-N 411.542 5.031 30 40 HKEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6782313 PTAYNLUNAMAYEV-JOCHJYFZSA-N 401.462 5.182 30 40 HKEB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 7079957 BXDAWKRHSKVBEA-FUHWJXTLSA-N 424.610 6.302 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 9422094 FBDTZDCJTXKOLV-ZMOGYAJESA-N 409.441 5.322 30 40 HKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1 9720882 HWOLXASCBSJGFT-DEDYPNTBSA-N 418.474 5.099 30 40 HKEB C=CCOc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 31816838 FJGIEKIWLNKWQC-UHFFFAOYSA-N 424.507 5.047 30 40 HKEB CC1CCN(CN2C(=O)/C(=N\c3ccc(F)c(C(F)(F)F)c3)c3ccccc32)CC1 39379184 ZJZFUQGEAZCRHC-OOAXWGSJSA-N 419.422 5.001 30 40 HKEB CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl 68568983 RINSKRJJNBDDRH-CYYJNZCTSA-N 414.977 8.364 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC 85564563 GULIJHQUYGTWSO-UHFFFAOYSA-N 424.754 9.932 30 40 HKEB in-vitro C/C=C/Cn1c(SCCCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 96019834 PFIPSMPOLXJKNY-FNORWQNLSA-N 420.623 5.012 30 40 HKEB biogenic O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1ccccc1 100055544 YFTRDZXPAKCQPL-UCQKPKSFSA-N 409.283 5.217 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 100212069 ZKOIQWMALQAXJY-DHRITJCHSA-N 424.884 5.373 30 40 HKEB Oc1ccc2ccccc2c1/C=N/n1c(-c2ccco2)cs/c1=N/C1CCCCC1 103459882 DIPUATVLZNFXNU-JZQXFWJQSA-N 417.534 5.784 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1 104359385 BVAVIVVNKVLQBB-UHFFFAOYSA-N 410.646 8.443 30 40 HKEB C[C@H]1C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 245237792 XANKMJCZKDANLU-CYTZHPSJSA-N 424.384 7.190 30 40 HKEB COc1cc(Cl)c(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 408739053 SDKACRIAGFONPU-IUXPMGMMSA-N 423.321 5.211 30 40 HKEB C=CCn1c(C)c(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c2ccccc21 408810865 LKTNTFMXVCLXLG-UHFFFAOYSA-N 418.542 5.216 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3C)S2)cc1 408955105 WFTWYGCCGRCMKV-PXLXIMEGSA-N 417.534 5.384 30 40 HKEB CCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 408961747 VEAXONVLENOBQC-FWSLEZFUSA-N 405.567 5.691 30 40 HKEB CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)S/C1=N/c1ccc(Cl)cc1 409088615 GJZYJFTXAMDUAC-ZIARRYFKSA-N 416.930 5.458 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc(Cl)cc1 409115838 HREMVRNYMKTSSP-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1C 409211086 MQAXXEXYSDYIJI-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccccc1 409216170 FWDSJHXURYMUHV-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c(C#N)cc2c1 1222310 ZNOJHBBMPMEFPL-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC 2796158 MOMZTALWNNEYEY-HKWRFOASSA-N 405.494 5.292 30 40 HKEB COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2cc3ccccc3o2)c1 3111529 AYYGMWCLPFVXNW-JWQCQUIFSA-N 400.430 5.343 30 40 HKEB biogenic CCn1ncc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C 4178704 HYWJWQQIDDGRNG-SBLWOBDDSA-N 404.558 5.248 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4624600 QNQIGDUCMVQYCZ-SPLOXXLWSA-N 413.564 5.123 30 40 HKEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 8809799 CANJKVQCBAEKCB-UHFFFAOYSA-N 420.537 6.571 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12 12864275 FXEGUDBXZJXLRM-IUSCBXDMSA-N 409.545 5.229 30 40 HKEB biogenic COc1ccc(N2C(=S)N/C(=N\c3cc(Cl)ccc3C)C23CCCCC3)cc1 15162152 IHTWNWGRJIJMIR-UHFFFAOYSA-N 413.974 5.785 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)n1ncnc1N2 18197931 ANYNUZQAHZVHMO-NTKDMRAZSA-N 424.529 5.422 30 40 HKEB COc1ccc(C2N([C@@H](C#N)c3ccccc3)CCCN2[C@@H](C#N)c2ccccc2)cc1 19325928 XBMQJWSKZJWBHU-UIOOFZCWSA-N 422.532 5.231 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 26522798 OFHCOWSQAMBJIW-BLUDRTMOSA-N 400.647 6.590 30 40 HKEB C[C@H]1CCCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 32594175 ZKDMXUISTQWMNB-INIZCTEOSA-N 407.901 5.682 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 59137831 PTJAKDKZDHCGJG-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@@H](C)OC(C)=O 100311980 NSIHRBHUXHGZFY-HSZRJFAPSA-N 411.671 7.048 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCOC(C)=O 100925336 QRFJFPDNKAYMLO-UHFFFAOYSA-N 400.668 6.124 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1Cl 102044450 VJJQYDMOPIQGRV-LJQANCHMSA-N 419.912 5.020 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=S)SCCCC 104161642 WYPDGUHQYFFJDN-UHFFFAOYSA-N 401.770 8.656 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(CC)cc3)OC2=O)cc1 105508796 ABNOXSHFBYSUSA-CLCOLTQESA-N 404.550 6.970 30 40 HKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N 225845096 HISYZDKZQMBZEG-IBGZPJMESA-N 402.579 5.932 30 40 HKEB Cc1cc(/N=C/c2ccccc2I)ccc1Br 408550961 LALZLZNTHNLTSL-RQZCQDPDSA-N 400.057 5.113 30 40 HKEB O=C(Oc1cccc(/C=N/c2ccccc2F)c1)c1sc2ccccc2c1Cl 408733045 DSVXLUKAXYMBPP-DHRITJCHSA-N 409.869 6.664 30 40 HKEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 408772199 CKFQDHTYKFLPGT-QRVIBDJDSA-N 411.299 5.394 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408868731 BAPKPYICNJAOQQ-BGVWXJRNSA-N 406.551 5.878 30 40 HKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)c1 711451 VNQZSYPAANWQTH-FSJBWODESA-N 407.267 6.022 30 40 HKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 812872 OHQHSCVSHANTHS-QYBDOPJKSA-N 412.489 5.380 30 40 HKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 815822 SJOZXNWNNQBJCH-MYYSRTQBSA-N 402.519 5.736 30 40 HKEB Cc1c(Cc2ccccc2)c(NCc2cccnc2)n2c(nc3ccccc32)c1C#N 1299564 KAZHQLVLRUDMNS-UHFFFAOYSA-N 403.489 5.266 30 40 HKEB O=C(NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 2274922 LKKWYPIDSJHQKQ-UHFFFAOYSA-N 414.708 5.142 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1 4524026 JGEMMJKZBGCFMD-WYMLVPIESA-N 408.881 6.453 30 40 HKEB C/C(=N/N=C(\C)c1ccc(C2CC2)c([N+](=O)[O-])c1)c1ccc(C2CC2)c([N+](=O)[O-])c1 4653480 SDWLRPGJKQEHCQ-NQGGHMMCSA-N 406.442 5.491 30 40 HKEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 4820245 FCHYYVSVOWMWIH-VROXFSQNSA-N 415.280 5.421 30 40 HKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c1 4944850 PLDYKOBQKRHBQG-HXUWFJFHSA-N 419.521 5.176 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(C)c1 5477899 WEDOLWMILXXSCN-UHFFFAOYSA-N 406.555 5.294 30 40 HKEB C[C@H]1CCC[C@H](C)N1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 6545532 KCOZLJQVDFYVOB-LZQDFFFGSA-N 407.561 6.894 30 40 HKEB C=CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6855852 BPFREIDBPKJVFT-UHFFFAOYSA-N 401.131 5.611 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1 8826550 PVYAPOKPHFXQTB-AUEPDCJTSA-N 411.776 5.652 30 40 HKEB CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9428302 ZFLSREJPZXQLTI-NRFANRHFSA-N 421.880 5.274 30 40 HKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 12654072 RYZOQJGBGALJTK-AYTKSQBWSA-N 403.680 6.501 30 40 HKEB biogenic C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1 20624605 KPCIPRRONPCYRX-NLLJVSSUSA-N 401.865 5.033 30 40 HKEB CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](C)CC1=O)N2 22608425 NJKUEUYWKPMZBK-SPLOXXLWSA-N 418.522 5.060 30 40 HKEB Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1N1CCCC1 59302231 CODZJGFYJIOLQR-XQNSMLJCSA-N 410.315 5.815 30 40 HKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(C)c(C(=O)OCC)s1 100171864 SWLOICQHOYDDCM-PXLXIMEGSA-N 403.548 5.423 30 40 HKEB Cc1c(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 103504873 JOHUABUYSVBPDE-ZDUSSCGKSA-N 421.280 5.617 30 40 HKEB CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526273 HLCHKRXYHTUYKO-UHFFFAOYSA-N 400.560 9.616 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1Br 103581282 NTRPBHDMVXYTQJ-QFEZKATASA-N 410.355 6.373 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)SC1=S 223613990 BDSCEDPCOCUMLY-DEFALTHMSA-N 414.640 5.883 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)nc2ccccc21 408692037 BVOQZIFTSVXYCU-ZMOGYAJESA-N 422.872 5.202 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1F 408963878 DMLMDTGXBVKDJU-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc(Cl)cc3)sc2-c2ccccc2)cc1C 408973446 AWQFQORLQFGHON-CVKSISIWSA-N 417.965 7.193 30 40 HKEB COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OC(C)C 409018134 XPQPAHOXNRHQPR-OGLMXYFKSA-N 403.566 6.701 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409068490 RQRULYSBXIAAJH-PXLXIMEGSA-N 401.487 5.641 30 40 HKEB C/C=C1/C[N@@+]2(Cc3ccc(C#N)cc3)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 524729444 UJSVESXDXMVSOV-DRCGQRHQSA-O 408.525 5.093 30 40 HKEB biogenic Cn1cc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 9422115 HUXJUUCSVKGCTO-AENMBQTOSA-N 421.452 5.413 30 40 HKEB N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 13403123 OMBKGCHLHBHHMG-OZDSWYPASA-N 422.400 5.587 30 40 HKEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1 13654582 IMNSCRNQWOBIAR-IHBCXDABSA-N 403.478 5.233 30 40 HKEB C/C(=N\NC(C)(C)C)c1sc(-c2nc(C)c(/C(C)=N/NC(C)(C)C)s2)nc1C 16957796 MFAQJIFLGBBOEF-RNIAWFEPSA-N 420.652 5.108 30 40 HKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)s1 33653010 XHZRZHVYRRWKPM-NCNVOFJUSA-N 421.547 5.097 30 40 HKEB O=[N+]([O-])c1cccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 33906591 ILNPXLYHLFIHKB-MYYYXRDXSA-N 413.412 5.304 30 40 HKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 44087423 JHFGHWBIQWKLQU-UHFFFAOYSA-N 405.748 6.233 30 40 HKEB O=C(/C=C/c1c(F)cccc1Cl)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 58324555 SYSIWOKPMKUHFM-BUHFOSPRSA-N 403.840 5.884 30 40 HKEB N#Cc1ccc(/N=C(\O)CN2CCc3sccc3[C@H]2c2cccs2)cc1Cl 82055635 PZMZDXWACSEOSU-FQEVSTJZSA-N 413.955 5.570 30 40 HKEB COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408737548 DCLWGGIUBMXMJH-NDENLUEZSA-N 408.910 5.702 30 40 HKEB Cc1cc(/C=N/C2=C[C@H]3C(=O)c4ccccc4C(=O)[C@H]3C=C2)c(C)n1C1CCCCC1 408739951 GXLJGIMFICMIFN-XLLOKAADSA-N 412.533 5.794 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccccc1 408907052 LHNRYKBTOQQQFL-ULWVPNJNSA-N 400.503 5.757 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409089030 MODHALGJNGGPIQ-JFLMPSFJSA-N 421.460 5.592 30 40 HKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 409094719 FTCHOMCEMHKTQH-WGOQTCKBSA-N 416.864 6.372 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3c(CC)cccc23)C1=O 409128529 FIKWBNGVQAJISH-BKUYFWCQSA-N 418.493 5.061 30 40 HKEB Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409215219 YXGBCHBODHWJGU-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 409217023 QVPRBYMNEBXBER-RWPZCVJISA-N 420.339 7.785 30 40 HKEB C=C(C)COc1cc2c(C(=O)OCC)c(-c3ccccc3)oc2cc1Br 1463670 IXUWIOYFOCCZHH-UHFFFAOYSA-N 415.283 5.994 30 40 HKEB biogenic N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2s1 2655613 ORCNEILTIPIYIR-LBPRGKRZSA-N 417.540 6.125 30 40 HKEB C=CCc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1OC 3092574 VVNKCXZQNMBLBD-NDZAJKAJSA-N 418.496 6.973 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccc(F)cc2)cc1 3095296 LOAZWCATYHLKIJ-BRJLIKDPSA-N 404.319 6.296 30 40 HKEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)cc1 3431187 QBCZTNTYCHZPQC-UHFFFAOYSA-N 402.504 5.108 30 40 HKEB Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c(C)c1 3668301 SDSAJQHTERCIJY-DHRITJCHSA-N 423.006 7.609 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)c(Cl)c1 4420919 IUFGPWALSFTMHP-JOCHJYFZSA-N 422.355 7.347 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 5589502 UQNBLTBLPQKNME-WRXKNHJISA-N 411.932 7.063 30 40 HKEB O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1O 8381346 XNGWXNUVKXKLNA-LPYMAVHISA-N 411.255 5.404 30 40 HKEB N#Cc1c(-c2cccs2)cc(-c2ccco2)nc1OCC(=O)c1ccc(Cl)cc1 8706991 QZECHBPTDABFCW-UHFFFAOYSA-N 420.877 5.857 30 40 HKEB N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 27562642 JEYJFXZRIGYEJP-NRFANRHFSA-N 406.917 5.506 30 40 HKEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4)ccc3C1=O)cn2C 28182513 OGBMKVOAVLYCOE-ROTLSHHCSA-N 411.457 5.382 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 100137771 GLOABBQFENJIPL-OMHSXHNCSA-N 413.448 5.317 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 102802560 BUUINLUUDZGCIG-JBCNATCCSA-N 411.929 5.650 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 103007543 KBSAUTOZWSLSDK-GMAHTHKFSA-N 416.650 7.542 30 40 HKEB Cc1ccc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)c(Br)c1 226362620 WFHNVEHHNINQCT-UHFFFAOYSA-N 405.251 5.532 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1C 408729455 FKKRJFRLKYUEMK-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)ccc1OC 408915339 XRATXVIFDVNLNZ-MYIPWOCFSA-N 424.566 5.805 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408936168 FRGDGQZNCBBYLF-FOKLQQMPSA-N 411.845 5.413 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1867992 REHXXJHZVKPCKP-YVLHZVERSA-N 422.358 5.964 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)ccc4O)cc3)nc2c1 1947830 HXZLLVRMAHPHQM-RDRPBHBLSA-N 418.496 6.850 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H]1CCCO1 2377302 KDSLPPZKGCOFQA-SFHVURJKSA-N 409.873 5.037 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cncc(Br)c1 3211334 IHTUJFCSAAVFLZ-UHFFFAOYSA-N 413.340 5.470 30 40 HKEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc2ccccc12 8436606 KLFSTGHWAKOGJS-LDADJPATSA-N 409.308 5.494 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 9272737 VFIBWICGSQNQLX-HXUWFJFHSA-N 424.283 5.776 30 40 HKEB CC1C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 12562062 XANKMJCZKDANLU-ICFDZUSXSA-N 424.384 7.190 30 40 HKEB COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 12745385 LIADNHPMLPQHGU-DHZHZOJOSA-N 420.534 5.658 30 40 HKEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1 12956138 JKSLGRYSUOXMTR-YXSASFKJSA-N 406.096 5.831 30 40 HKEB COC(=O)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 13655506 AUVKLOJDYSLJQU-WWFWFNCGSA-N 412.441 5.182 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CN[C@@H](C)c3ccc(Cl)cc3Cl)c2C#N)C1 14070718 NXAJLMINDUSPCU-RYUDHWBXSA-N 422.381 5.341 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(Cl)cc1Cl 17207082 WSXAPVOZWOCNJX-UHFFFAOYSA-N 406.720 5.232 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66088823 XRVAAIDJWRYPPZ-JOCHJYFZSA-N 420.940 5.583 30 40 HKEB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(/C=N/Nc3ccc(Cl)cc3)cc2)n1 91695257 JQSNKVNUBPJYTQ-LGJNPRDNSA-N 418.850 5.933 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913781 YIKKMWSQVKJCOP-ACEZCWTCSA-N 400.647 6.568 30 40 HKEB in-vitro C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226340961 NVTUIEBOTGVNLW-VMPITWQZSA-N 423.665 5.010 30 40 HKEB C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408554366 CNTJVSAUOKNORY-SFHVURJKSA-N 414.741 5.990 30 40 HKEB Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl 408785987 DEOZOGKAOFAEPR-SSDVNMTOSA-N 423.321 5.124 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 408910103 JEHKKBHATCXYRM-RGVLZGJSSA-N 400.232 5.372 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(C)c3C)c2)cc1Cl 409212698 PPELBHAYCNEGEG-WGARJPEWSA-N 406.913 6.033 30 40 HKEB CN1/C(=C/C=C2\CC/C(=C\Nc3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21 685944411 IWQWKCYOEDKAIW-GYLFGEEQSA-N 415.493 5.491 30 40 HKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 1077285 DMRCRSNWHYGCAU-UZTOHYMASA-N 410.517 5.983 30 40 HKEB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1 3104506 GBNJKYWKAVSUFD-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1 4646551 OVVAPQRPOPJFOE-NGALLESISA-N 410.627 6.316 30 40 HKEB CCCCC(NNc1nc2ccccc2c2ccccc12)=C1C(=O)CC(C)(C)CC1=O 4869735 VUPSGXXOTXSRTK-UHFFFAOYSA-N 415.537 5.707 30 40 HKEB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)o1 6376498 ZGQKMIIITQUBCX-WYMPLXKRSA-N 402.277 6.569 30 40 HKEB CCCCCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 6471806 JKRCRJXSKVOZJO-INIZCTEOSA-N 422.809 5.303 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811705 SUWKWPJCBHJMRL-DHRITJCHSA-N 402.325 5.533 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2ccccc21 9423794 ARSMBDCWGBVEEW-LPYMAVHISA-N 413.429 5.398 30 40 HKEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)C1 12418910 PVHJQTDALXFTSU-HUUCEWRRSA-N 411.889 5.521 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 13471518 FYSVTOIULMTRSN-HJOGWXRNSA-N 421.525 5.341 30 40 HKEB CC(C)(C)/N=C1\[C@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1 33435821 VORSLXAWSKRTLZ-UINQJLALSA-N 401.982 5.299 30 40 HKEB S=C(N/N=C\c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 35104819 SKCDBPJQYUHJFC-HBDSXEKQSA-N 420.152 5.132 30 40 HKEB C=C1CC[C@@]2(C)[C@H](C)CC[C@H](O)[C@@]2(CCC=C(C)C)[C@@H]1Cc1c[nH]c2ccccc12 38727165 BSSPRCKKWJRAJZ-LSKARBNJSA-N 405.626 7.207 30 40 HKEB biogenic C[C@@H](Nc1oc(Cc2cccc3ccccc23)nc1C#N)c1cccc(C(F)(F)F)c1 72427667 PWUFWXKIYYFLML-OAHLLOKOSA-N 421.422 6.482 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cc(Cl)c1OC 96663349 JTXFRDWQGHZPPI-GZTJUZNOSA-N 416.930 5.256 30 40 HKEB O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1)c1cc2ccccc2o1 102417283 OMCJQNXLXAVUKA-YDZHTSKRSA-N 401.378 5.050 30 40 HKEB CCCCCCCCOc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1 103012267 HRCSCUSLMOQCRS-LFVJCYFKSA-N 402.922 6.224 30 40 HKEB Cc1cc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c1 195692155 VZGDQIDHFXHYBJ-HXUWFJFHSA-N 405.841 5.464 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cc(C(=O)O)ccc3C)c2C)cc1 408783170 KVMLZXLLONLCPH-QFEZKATASA-N 404.466 5.028 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 408908308 RIAVVITXHFMVCP-LVCNHQDNSA-N 414.530 5.542 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408946592 YYBKLYNWXRTGMO-MJJQYWGISA-N 414.936 6.926 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)cc1C 408951183 IAIDJQHRFWADPG-JCMHNJIXSA-N 416.550 5.052 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 752724 KESZTIHWVNNESE-UHFFFAOYSA-N 412.580 5.026 30 40 HKEB N#Cc1c(/C=C/c2ccc(Cl)cc2)cc(SCC(=O)O)n2c1nc1ccccc12 3437635 KBLFTATXNOUMJO-VMPITWQZSA-N 419.893 5.360 30 40 HKEB Cc1cc(O)c(C(C)C)cc1N=C1C=C(Br)C(=O)C(Br)=C1 4416894 PHJUQKHDTFEQOE-UHFFFAOYSA-N 413.109 5.037 30 40 HKEB CCn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)c(C)n1 4651560 GSVVJZATHITTBT-CRSKZTJXSA-N 404.558 5.248 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cccc1OC 8363368 OCNUXGIOMVURIX-VSMSAFETSA-N 410.539 5.498 30 40 HKEB O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)cc1 9581644 XPBZXMKMHXVCJJ-LFYBBSHMSA-N 412.308 5.659 30 40 HKEB CCCc1ccc(-c2nc3sc4c(c3c(-c3ccc(C)cc3)c2C#N)CCCC4)cc1 12970769 FKZZTTBTUDNELD-UHFFFAOYSA-N 422.597 7.642 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1cccc(OCc2cccc3ccccc23)c1 14408427 XBOGBVFVOYCLSM-WGOQTCKBSA-N 409.514 6.475 30 40 HKEB C[C@H](/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3CC(CC(C3)C1)C2 19720651 XQLGGNDZRGTHSF-YLBGMSACSA-N 407.308 5.087 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 50860536 OXSWIZGRCVIYHT-OAQYLSRUSA-N 403.570 6.226 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F 59475485 RASOMLSZESPKLY-YSURURNPSA-N 419.230 5.305 30 40 HKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Cl)cc2)=C(O)C1 100522260 ZMSZPNXWFLDRGD-UHFFFAOYSA-N 402.918 5.826 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923154 SDJLSMWANITDPE-LKRNMPLCSA-N 419.093 8.163 30 40 HKEB CCCC[Sn](C#CC(OCC)OCC)(CCCC)CCCC 196274342 JBPGTOGEUMAPOI-UHFFFAOYSA-N 417.222 5.777 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1Cl 408739635 DMJYXYJSNORYLW-AFUMVMLFSA-N 409.917 5.351 30 40 HKEB Cc1ccc(/N=C\c2cc(Br)c(Br)o2)c(Br)c1 408850391 MVIAJURGGFKLSR-SOFYXZRVSA-N 421.914 5.626 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408947496 QGERZIGXSSTOAM-WYMPLXKRSA-N 409.873 5.155 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 409218962 ZBAXIGUIYKIWEG-DHRITJCHSA-N 400.305 6.640 30 40 HKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 409326597 CMBHOQJNIQJJSA-CPNJWEJPSA-N 411.548 5.147 30 40 HKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cccc3[nH]ccc23)n1 585293735 LKSNQSBWKWJBAU-DEOSSOPVSA-N 423.524 5.004 30 40 HKEB C(=N/c1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1)\c1ccccc1 3147026 VVKOCGLUTFSZGG-UOSOPFLXSA-N 401.469 6.996 30 40 HKEB COc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1Br 4199211 FZDDEEQJVQJTNX-YDZHTSKRSA-N 407.267 6.017 30 40 HKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 6046350 MXZBLOZLLKFSQK-JOCHJYFZSA-N 402.881 5.518 30 40 HKEB Cc1c(Cl)ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1Cl 6825118 XFBDPUXCPJMUQI-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c2ccccc21 28182584 YDQNEXPTDWICBV-MXAYSNPKSA-N 413.448 5.996 30 40 HKEB C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33768032 IZGXUZLWMAHRQW-UHFFFAOYSA-N 420.516 6.170 30 40 HKEB CCN(CC)[C@@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)C)cc1 35672574 TYJYJEFCWKBEKG-QFIPXVFZSA-N 403.530 5.227 30 40 HKEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1 46084703 MSINSLTUWPVJKB-NKFKGCMQSA-N 407.297 5.143 30 40 HKEB Clc1ccc2nc(N/N=C/c3cccc4ncccc34)nc(-c3ccccc3)c2c1 46085303 PRCAVXUZTQAVSY-JFLMPSFJSA-N 409.880 5.944 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)(C)C)cc1 59397981 FCWWADHFVCMJSI-OAQYLSRUSA-N 401.506 5.116 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 59462027 QUCDBVFMCSVGOJ-FOKLQQMPSA-N 413.237 5.524 30 40 HKEB O=C1/C(=C/c2ccccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 59484860 DKXIQKBFOSSZSS-YWROOUKNSA-N 400.503 5.065 30 40 HKEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2Cl)cc1 102947736 RCZLNFPVHCARAU-NJNXFGOHSA-N 411.288 5.609 30 40 HKEB CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408526963 AFUWDNATFAOXNP-BOPFTXTBSA-N 417.328 5.048 30 40 HKEB CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 408718479 ZOJDVDCVJFRYLH-UHFFFAOYSA-N 422.565 6.266 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1CC 408847051 LELKDYJBRTWSKZ-JTHVCAJSSA-N 405.317 5.021 30 40 HKEB COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)cc1 408861600 DJRITGQMWGGSPE-BKUYFWCQSA-N 421.497 5.133 30 40 HKEB CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 408962412 ROCBZVATLNOOGH-PCXKXAPESA-N 405.523 5.513 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408963651 DCXWAKBZQRIDSR-BXUJETTOSA-N 400.931 5.717 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2cccc(O)c2)sc2c1CCCCCC2 408971632 KNRDIRLXHWEEGW-PCLIKHOPSA-N 404.535 6.116 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409201942 OXMRZSRHFKXUOR-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409377578 IMZAIANFMIDCKH-GNYKCMPYSA-N 409.913 7.069 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 856577 PCJIDTNRXASGRI-QLXKLKPCSA-N 414.480 5.814 30 40 HKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O 2602890 FZWWMGTWLZKZCV-UHFFFAOYSA-N 413.945 5.361 30 40 HKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2cccc3cccnc23)o1 3082877 LNOBYJYYKCAIGA-MTDXEUNCSA-N 406.510 7.397 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1c1ccccc1 3263805 NBDZBUIBAPGHGR-QFIPXVFZSA-N 418.949 5.933 30 40 HKEB C/C(=N\Oc1cccc(O/N=C(\C)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 4002269 AZMOQSUBTCMOLC-LVSXPEEVSA-N 414.292 5.994 30 40 HKEB CNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N 4060183 OEVWUSSQVWPVOI-UHFFFAOYSA-N 401.322 5.656 30 40 HKEB Cc1ccc(/N=C2/S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1C 4797372 UWMARKLOIBSEHP-PNFLQUQDSA-N 415.971 5.561 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Br)c1O 6047101 HUOASQCPVYXAND-RUDMXATFSA-N 419.315 5.484 30 40 HKEB N#CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 6831283 YFEJFKXPXIXVSA-UHFFFAOYSA-N 408.836 5.612 30 40 HKEB O=C(C/C=N/OCc1ccccc1Br)c1cnc(-c2ccccc2)s1 8781981 IPSABKQRUYNXMJ-SSDVNMTOSA-N 415.312 5.348 30 40 HKEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC(C)C 8811875 PXPVGNHUTZQKTB-UFFVCSGVSA-N 411.727 5.022 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 12375811 MODJKYGOYRIKGZ-KGENOOAVSA-N 420.921 5.811 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2 18196930 HMGDMKSPWJOYIN-LJQANCHMSA-N 404.293 5.575 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)cc1C 33027075 VFJPIRLDEFODTN-SFHVURJKSA-N 413.477 6.175 30 40 HKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58823399 GJSRBLLTKAVBLO-AFUMVMLFSA-N 415.320 6.417 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 59484208 KGZWBWSCXSJEKR-AFUMVMLFSA-N 424.356 7.230 30 40 HKEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)cc1 69668022 JJNRNCTUYNTXPR-FQEVSTJZSA-N 404.901 5.031 30 40 HKEB COc1ccc(Cl)cc1/N=C(\O)[C@@H](C)N(C)C/C(O)=N/c1ccccc1SC 82048879 JDHVOTOBVMJYSB-CYBMUJFWSA-N 421.950 5.267 30 40 HKEB CCCCCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl 101366952 NTKJEISIPXDXKC-VQIMIIECSA-N 402.000 5.546 30 40 HKEB O=C1/C(=N\Nc2nc3c(ccc4ccccc43)s2)Sc2ccc3ccccc3c21 102131488 UGEDCPXMLKAEOG-YYDJUVGSSA-N 411.511 6.317 30 40 HKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1Cl 208866840 BFKQBQCPWVTYKN-UCQKPKSFSA-N 422.933 6.647 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(Br)c3)o2)c1 408587826 AHMRILZRFIVHPK-RGVLZGJSSA-N 401.216 5.168 30 40 HKEB CC(C)N1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1ccccc1 408905770 DOPRYOVEIMXJKI-FUQOYWQNSA-N 422.553 7.005 30 40 HKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccccc1 409089031 GYVFULWGVJOJNH-UNOMPAQXSA-N 419.864 5.272 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(F)c1 409092112 VCFKCACTJZVQSE-STZFKDTASA-N 417.436 5.148 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409209633 HIYYAVYDOKNGSG-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 409218906 YDCABURFVUDVSZ-DHRITJCHSA-N 416.304 6.340 30 40 HKEB C(=N/c1ccc(CCc2ccc(/N=C/c3cccs3)cc2)cc1)\c1cccs1 3058529 QXYFDIXPHNRUBM-RPCRKUJJSA-N 400.572 7.096 30 40 HKEB Cc1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cccc1-c1nc2ccccc2o1 4600457 NQYIXJCPYBEHEX-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 4695516 RDKVOMBIDTZXKA-HZHRSRAPSA-N 400.463 5.831 30 40 HKEB C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 5427801 OKJGOAZSEVRTBL-UHFFFAOYSA-N 405.372 5.697 30 40 HKEB biogenic CC1=C[C@@](/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(Sc2ccccc2)CCC1 5950476 LSKQOMPXJBWBDX-LQOIVRHRSA-N 412.471 5.562 30 40 HKEB CCOc1ccc(/N=C2\C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)cc1 12466920 FYSKFBMJPIDWJH-VEVGFDJISA-N 424.544 6.041 30 40 HKEB CCCc1cc(SCC(=O)Nc2cccc(C)c2)n2c(nc3ccccc32)c1C#N 12648906 BWMJXZFXFFHRLU-UHFFFAOYSA-N 414.534 5.351 30 40 HKEB C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1-c1ccc(Cl)cc1Cl 12857818 LDIMUEFNIUBTCK-LLVKDONJSA-N 424.357 5.627 30 40 HKEB Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccccc3)c3cc(Cl)ccc3n1)C(=O)N2 46085381 KPCBERMFEKUPRT-UHFFFAOYSA-N 413.868 5.027 30 40 HKEB N=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)[C@H]1c1nccs1 137892840 ZEAQIPLMLYGEAH-VGQPPMBJSA-N 410.495 5.279 30 40 HKEB Cc1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)ccc1[N+](=O)[O-] 147568271 YNWJTSPVZKURRL-ZVHZXABRSA-N 412.405 5.822 30 40 HKEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OCC)cc1 224596382 KVEYZGNADJZRBW-UHFFFAOYSA-N 423.534 5.046 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 247996077 AHSAQRLLZMVWMN-VXMFOPDDSA-N 408.611 5.321 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 408534181 TYBSTCYUAMGBCE-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408731252 ZIANPZYJCPWNHE-YZSQISJMSA-N 418.562 5.308 30 40 HKEB Cc1cc(I)ccc1/N=C/c1ccc(N2CCCCC2)cc1 408852680 MOPQNFWAPHKFMK-KGENOOAVSA-N 404.295 5.341 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 1434917 VXFMNDLKDUXZJF-FOKLQQMPSA-N 401.378 5.191 30 40 HKEB Clc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 1564297 YDYTTZZBQVZTPY-UHFFFAOYSA-N 412.919 7.446 30 40 HKEB C(#Cc1cccc2ccccc12)C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 2294642 HLZDNLMQKXZTIA-UHFFFAOYSA-N 414.572 6.397 30 40 HKEB CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)c3c(c2C#N)CCCC3)cc1 4014568 IWEGKXWHCGEQPD-UHFFFAOYSA-N 412.602 7.089 30 40 HKEB Cc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc45)ccc3o2)c1 4358603 AKGZNLKAULFGCR-UXHLAJHPSA-N 412.492 7.860 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C#N 4455952 FCHYYVSVOWMWIH-YSURURNPSA-N 415.280 5.421 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 4599892 PMHZNBBAOIDKBC-OUKQBFOZSA-N 401.815 6.834 30 40 HKEB CCOC(=O)c1c(-c2ccccc2)nc(SCC(=O)c2ccccc2)c(C#N)c1C 4785003 UHBGLOGIMULXMJ-UHFFFAOYSA-N 416.502 5.080 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(C3CCCCC3)cc(Cl)c2O)c([N+](=O)[O-])c1 5749641 MSRKKZYBFWULKN-SRZZPIQSSA-N 418.837 5.356 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 10119089 PYPHFROAVDFGGW-LQKURTRISA-N 419.912 5.313 30 40 HKEB C=CCOc1cc(Cl)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 13915344 LWZJWKXUGXCXBH-WOJGMQOQSA-N 423.987 5.447 30 40 HKEB C(=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)\c1cccc2ccccc12 57527881 SAWUXKXQWGEGDH-XHLNEMQHSA-N 405.545 5.913 30 40 HKEB Clc1ccc(/N=C/C=C(/Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 100661703 CIYBGKFWZJITHM-BPODSWHHSA-N 401.724 7.502 30 40 HKEB Cc1cc(-c2ccc(/C=N/c3nc(-c4ccccc4)cs3)o2)c(C)c([N+](=O)[O-])c1 197711290 OTNYRVDVKRWUFN-FSJBWODESA-N 403.463 6.346 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327150 KBYLIOWDGRVGGE-UHFFFAOYSA-N 406.092 6.222 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1OC 408742666 XQUGFVNBWGZCAJ-UFFVCSGVSA-N 405.317 5.029 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408872003 IYJSRHQBHNDNNA-GWQIXBMCSA-N 420.534 5.568 30 40 HKEB CCOc1cc(C)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1C(C)C 408960315 DTGGDHZWOJLBHW-FYJGNVAPSA-N 410.539 5.417 30 40 HKEB CC(C)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408976769 GJYKUYFTISDGFE-JVWAILMASA-N 418.606 7.643 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409199693 CQXWQOUOOYLUKQ-PCLIKHOPSA-N 404.466 5.886 30 40 HKEB CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 710754 FZRAUYYWPSUJTA-NFQMXDRXSA-N 424.500 5.591 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2164587 JFFWSHVNJSYUQH-BOPFTXTBSA-N 406.290 5.799 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 5376583 DPUZUDFDNMSMOM-XDHOZWIPSA-N 410.882 5.500 30 40 HKEB N#Cc1cccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 6128964 ITDJRGXRUNZWBJ-UHFFFAOYSA-N 416.481 5.149 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 8833802 UKQVLHCZHABJSZ-KGENOOAVSA-N 420.921 5.811 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccco2)cc1 8969467 OXSMJKJXVFLUDI-GYCJOSAFSA-N 411.461 5.054 30 40 HKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1 9361354 DAVGTTCBPUSWRB-OWJWWREXSA-N 416.452 5.485 30 40 HKEB CC(/C=C/[C@]1(C)[C@@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 13373375 ZLAQYJKDQSZARB-PUOCTXPVSA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro Cc1[nH]c2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(Cc2ccccc2)C1=O 15224307 HDBCSHZOZPOVFH-AOFZEWBLSA-N 423.541 6.281 30 40 HKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 17090086 NUZJEQWIZIHZSO-UAGQMJEPSA-N 414.571 5.156 30 40 HKEB O/C(CN1CCC[C@@H]1c1cccs1)=N\c1nc(-c2ccc(F)c(F)c2)cs1 23908029 CAJDKQZQUDCMIY-MRXNPFEDSA-N 405.495 5.575 30 40 HKEB Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 59483065 KHKGURZHXAHOBJ-STZFKDTASA-N 417.848 5.212 30 40 HKEB CC1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@]2(C)CC[C@@H]1C2 100092981 FNJORGFZHZTBIQ-PWNUMZGLSA-N 420.658 5.052 30 40 HKEB CCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12 102079655 DWHHRKDGKSYXRU-UHFFFAOYSA-N 409.957 7.381 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 104142758 XUKLZDPISHEOIQ-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB C(=N/n1c(-c2ccccc2)cs/c1=N/CCc1ccccc1)\c1c[nH]c2ccccc12 105761833 MMOWGWVZJIISQG-QCUPNRCKSA-N 422.557 5.724 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 206810251 KIUZUQZPXYDQBR-UPHRSURJSA-N 414.083 5.844 30 40 HKEB C=C(C)[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)CC 257446275 IMWBKGMKWXIXEQ-JJERAKMWSA-N 410.686 7.721 30 40 HKEB endogenous,in-man CC/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)N1CC 260572451 VNULTEYDVUTAFA-FVHVMVHCSA-N 405.995 5.374 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1CC 408560827 FFBIQRRRMUKTPN-UHFFFAOYSA-N 410.587 5.695 30 40 HKEB C#CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409032771 DFAVRDQAXIIVQA-MRUKODCESA-N 408.342 5.279 30 40 HKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C2CCCCC2)cc1 409052514 UJXFDWBPKHATDZ-QQXSKIMKSA-N 409.986 7.347 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C(=O)O)cc1 409057634 KKBMZYRNAHFQTR-PGBYLALNSA-N 424.522 5.044 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccccc1 409209613 GUECDSQIQBYURR-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)c(C)c1 409210096 DOOROCUCCWAFFT-LQKURTRISA-N 409.485 6.484 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br 409210169 IRTCYGMKPUALQP-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077599 KYWJHTLSRBWYHA-HRFSGMKKSA-N 410.517 5.983 30 40 HKEB COc1ccc(/C=N/c2ccc(C)c(I)c2)c2ccccc12 1087194 HPIBPBUUOKHEAL-CIAFOILYSA-N 401.247 5.512 30 40 HKEB CCCCCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 1573739 STSVSXDVCDJSTJ-JJIBRWJFSA-N 412.624 7.595 30 40 HKEB CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@@H](C(C)(C)C)CC2 2299306 JIQQZJDVBCLZBX-AWEZNQCLSA-N 414.596 5.488 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 3113943 KKCUNGAOSRPGFA-YSURURNPSA-N 401.224 6.397 30 40 HKEB CCCN(CCC)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(CC)cc23)cc1 5261256 XIUXVHWPXSJEOE-PCLIKHOPSA-N 415.545 5.141 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(-c2nnn[nH]2)cc1 5464958 MOANWOXZSBRKHF-DEOSSOPVSA-N 421.504 5.329 30 40 HKEB CCCCCCc1ccc(C(=O)/C(=C(\S)Nc2ccccc2)[n+]2ccccc2)cc1 6389307 XZJOUUHAVAOPCK-UHFFFAOYSA-O 417.598 6.148 30 40 HKEB COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2C)c1C#N 9111370 QIOOASUGJPOQFD-UHFFFAOYSA-N 422.553 6.897 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)NC1CCCCC1)c1ccccc1N2 12652256 OBKADYFOOKCYSM-HSZRJFAPSA-N 405.498 5.302 30 40 HKEB CCCCCOc1ccc(/N=C(/N=C(\O)C(C)(C)C)Nc2nc(C)cc(C)n2)cc1 18143934 NBQWKXFHZPGWGI-UHFFFAOYSA-N 411.550 5.765 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 18196928 METDOVPKJJTPSF-LJQANCHMSA-N 404.293 5.575 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19827810 GBBVCPILLPQFFX-HSZRJFAPSA-N 421.924 5.094 30 40 HKEB C/N=C1/S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1C 59104451 HSDGIHHWZFUDEI-JWLCOBFGSA-N 411.530 5.375 30 40 HKEB COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 66091543 WYADXOBMBDFRDY-NRFANRHFSA-N 419.864 5.132 30 40 HKEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/c1ccc(Br)cc1 101691236 XXNSEADQYKARSP-CZIZESTLSA-N 416.300 5.306 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1 223664594 CMOPZMQFWXRXHY-UHFFFAOYSA-N 401.322 5.120 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 408884449 UKKKCPOJZUWBCQ-SYCWVLCSSA-N 402.563 6.426 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)cc1 408912075 KUXMRUMHHRHUOD-AIQBXGKYSA-N 406.551 5.964 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409069919 YOJNAWKRGKQLOG-FOKLQQMPSA-N 417.252 5.322 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(C(=O)O)c3C)c2)cc1C 409371440 WQJKHYLNJWIHJB-VULFUBBASA-N 416.477 5.078 30 40 HKEB CC(=O)Oc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 728476 BPTHWEQPIPUWQX-DEOSSOPVSA-N 411.501 5.966 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 820504 HCPATLLVCBOPRC-LJQANCHMSA-N 422.352 5.549 30 40 HKEB COc1ccc(O)c(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 822269 GLUQHJVNUPUPOR-BHGWPJFGSA-N 412.276 6.002 30 40 HKEB COc1cc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC(C)=O 1234405 KGFXXILUDXULKR-AFUMVMLFSA-N 407.853 5.256 30 40 HKEB CCN(CC)c1nc(SCc2ccccc2Cl)nc(-c2ccccc2)c1C#N 4042153 AIWYUQASAMKWMJ-UHFFFAOYSA-N 408.958 5.807 30 40 HKEB Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(I)cc1 5330554 JFEGFCGJQDWDQD-FYJGNVAPSA-N 400.263 5.449 30 40 HKEB N#CCC(=O)Nc1ccc(C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1 8128632 MNGBRSXGILXOEE-XMMPIXPASA-N 411.505 5.033 30 40 HKEB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C(F)(F)C(F)(F)C(F)(F)F 9109682 XKHKYMAZSJSSHI-UHFFFAOYSA-N 422.325 5.735 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2c[nH]c3ccc(Br)cc23)cc1C(F)(F)F 12600340 HADHNUFQLWVQEO-QPSGOUHRSA-N 412.165 5.608 30 40 HKEB Cc1ccc(/N=N/c2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1 18168079 KTQYMHQOZGQFBR-OCOZRVBESA-N 410.319 6.115 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 19847894 QNQIGDUCMVQYCZ-LHSJRXKWSA-N 413.564 5.123 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br 408617626 ATKZDBFBXHXKKN-ZRDIBKRKSA-N 418.290 5.796 30 40 HKEB COc1cc(Br)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409208026 AHJLVRYTDLLEKB-OEAKJJBVSA-N 412.283 6.009 30 40 HKEB O=C(COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1)Nc1ccccc1 409218349 ULXBZILNQHTHRJ-USHMODERSA-N 422.484 6.247 30 40 HKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 720541 CWMCNCWQQCBBOU-SSOJOUAXSA-N 415.562 5.794 30 40 HKEB Cc1cc(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)ccc1Cl 1858034 LWBSPSMLCQASNL-OEAKJJBVSA-N 410.930 5.585 30 40 HKEB Brc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 1882887 DQNMWKBNVGXGTN-BAQHSMLZSA-N 403.279 6.673 30 40 HKEB CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 2185009 QSAXWXIANQUWCD-UINIZAEWSA-N 412.558 6.614 30 40 HKEB O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc23)N1c1cccc(Cl)c1 2400650 HZNZLGWVSUWMBF-HSZRJFAPSA-N 400.865 6.570 30 40 HKEB C=CCn1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl 2443515 ZKEYTPGIMMZMQO-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB CN1/C(=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)Sc2ccccc21 3021722 WAEBAWOMUMKINC-ZMPCKTLKSA-N 415.543 5.865 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN1CCCC1 4043670 UNUUCKOLQOHQFO-CWMWJYQDSA-N 413.602 5.760 30 40 HKEB biogenic CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 4151013 UFWDHOXDNJUOQZ-DFHRPNOPSA-N 408.545 6.537 30 40 HKEB Cc1ccc([C@@]2(CC(=O)OCCC[C@@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 4814913 IBFLPBRJAUJAIW-WNCULLNHSA-N 419.565 5.843 30 40 HKEB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5242892 SGBVCJZJIMVOTM-INIZCTEOSA-N 410.502 5.288 30 40 HKEB O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl 12959087 PVZXZWOVCNXXJV-NGFMMCKOSA-N 417.805 5.027 30 40 HKEB Cc1nc(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c(C#N)c(C)c1C 23078511 OAPHPVRDJZRVJD-YGRLFVJLSA-N 424.595 5.155 30 40 HKEB C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1ccc2ccccc2c1 30293621 QSXYOIPBHGLPBX-ITYLOYPMSA-N 423.524 5.205 30 40 HKEB C[C@@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 32594138 VYLMEZIBBOVFJJ-MRXNPFEDSA-N 407.901 5.824 30 40 HKEB CC1(C)[C@@H]2CC[C@@]1(C)C[C@@H]2OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 59409480 CLHQHYNIOKAGEX-OMUDIIHJSA-N 420.658 5.052 30 40 HKEB C/C(=N\OCc1csc(-c2ccc(C)o2)n1)c1nc2ccccc2n1C(F)F 96180154 OOJMYGOZXQPXAU-WYMPLXKRSA-N 402.426 5.397 30 40 HKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(C)=O)c1)C2=O 97944593 VHFBCTHYYUCAGG-UHFFFAOYSA-N 421.493 5.207 30 40 HKEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224940719 HACNWVMWEYTPFQ-UHFFFAOYSA-N 410.244 5.394 30 40 HKEB C=CCOc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225369490 DBYPLLXXEFTDGI-UHFFFAOYSA-N 410.967 5.264 30 40 HKEB Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl 225886979 HWRDKCGPHJFCDP-UHFFFAOYSA-N 414.336 6.521 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N/c3ccco3)c2C)ccc1I 408767488 LGOLLLCFMLPXCQ-RGVLZGJSSA-N 404.251 5.351 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408859328 SNANVMNOTSBQCL-ICBLIVCVSA-N 411.483 5.371 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408912792 LVAHTIHYKRRMHI-ICVIDMSUSA-N 411.483 5.011 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(C)cc1 409122104 ZCYRZJLXEKYCFV-UHFFFAOYSA-N 415.577 6.876 30 40 HKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 720744 JPPXPLUMOODMLS-PUAOIOHZSA-N 416.546 6.126 30 40 HKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccsc3)S/C2=N/c2ccccc2)cc1 979942 BPUJHKCTJPJTMI-POJNRUHKSA-N 420.515 5.251 30 40 HKEB S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 1682572 USIJFGMDDKBLAB-BPYXDGQXSA-N 420.152 5.132 30 40 HKEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)c1 2235150 STNIUFZATNBYLB-TYGLDRHGSA-N 415.518 5.160 30 40 HKEB CCCCCCCCOc1ccc(N/C=C2\C(=O)ON=C2c2ccccc2F)cc1 2753205 IZYXLVJESXDZBO-FXBPSFAMSA-N 410.489 5.822 30 40 HKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(Br)cc3)cc1)C2 2903289 HVQAMAPWXLBZKD-DHRITJCHSA-N 405.339 6.337 30 40 HKEB O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2)Sc2ccccc21 4189360 HFRNJQCRNACHEF-RGVLZGJSSA-N 413.325 6.902 30 40 HKEB CCCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCCC)cc2)=N\O)cc1 4577879 VTONGVXQWPLKTA-MJPLYFDISA-N 412.530 5.881 30 40 HKEB Cc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4747097 ORNKJDXOZSVFIL-DWXRJYCRSA-N 415.533 6.794 30 40 HKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3ccc(O)cc3O2)N1 6232542 TZYZVFHMXGIUPT-IERDGZPVSA-N 400.569 5.112 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1C 19827753 SLVFKLLFINCEEG-RQVRYXIVSA-N 400.503 6.261 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(I)cc1 109378501 QECFWLLBGJUHHP-MTJSOVHGSA-N 408.258 5.090 30 40 HKEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208303447 RKPYQYSFEJCKFZ-CYGNYLSHSA-N 411.462 5.061 30 40 HKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226337702 PWJVMLJSVPFXDV-VAWYXSNFSA-N 406.865 5.270 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N\c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 408914762 YVMKHXVWHLCGOY-DXJNIWACSA-N 422.616 7.621 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(I)o1 408950520 FYJSBZUYTFRZHD-OMCISZLKSA-N 424.463 5.359 30 40 HKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409044952 DTLHNYLBHNIGOP-UHFFFAOYSA-N 421.320 5.910 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409095648 DDLKLPHCAIUPPG-LITAXMHPSA-N 411.380 5.246 30 40 HKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCCCC)C1=O 409215970 GZBPYCIGYMOBBM-VBKFSLOCSA-N 410.333 5.240 30 40 HKEB CC(C)(C)n1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409405832 VXKLRWWCWFICOG-UHFFFAOYSA-N 420.516 5.655 30 40 HKEB C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(Cl)cc1Cl 1071940 PXJUOYIUUPMWMQ-WIUDPPPLSA-N 411.288 5.797 30 40 HKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077596 KYWJHTLSRBWYHA-DCFHFQCYSA-N 410.517 5.983 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 2133501 UYDXGQPUMFKCOG-AKDVYYJXSA-N 422.480 6.232 30 40 HKEB biogenic FC(F)(F)c1cnc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 4002055 UNTOBQYLQFFRDS-ZXKDJJQISA-N 403.113 5.267 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 4311627 OHWXYUZZQQNHMO-UHFFFAOYSA-N 416.571 5.799 30 40 HKEB Fc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 4828939 JJAKOFKAQIYHIL-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB CC(=O)C(C(=O)c1ccccc1)=C(SCc1ccccc1)SCc1ccccc1 5377956 DYAQGLYVYYWKHA-UHFFFAOYSA-N 418.583 6.537 30 40 HKEB CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5555192 VHMBDRJJLHEGJK-DHZHZOJOSA-N 401.289 6.937 30 40 HKEB Cn1ccnc1Sc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 6315496 BKMHCYXIKVALSC-UXBLZVDNSA-N 415.474 5.529 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C#N)C1 6363907 LZUHRMACMIZBJY-GFCCVEGCSA-N 415.559 5.037 30 40 HKEB Cc1cc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c(O)c([N+](=O)[O-])c1 6527720 QSMFQGQNFNMFMP-ZMOGYAJESA-N 400.390 5.133 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)o1 9113873 UESRBKBRVSYWAV-JOCHJYFZSA-N 422.322 6.396 30 40 HKEB CC(C)(C)C1CCC2(CC1)O[C@@]2(C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 9419205 NSOFHBYBHURKEI-QPDBELLOSA-N 404.963 5.149 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(N(C)C)cc2)cs1)c1cccc(C)c1C 15189157 FQIHOBUYHCQHIX-SDNWHVSQSA-N 419.550 5.407 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@@H]2c1ccco1 15826314 RNMWXUALAPLYNJ-RUZDIDTESA-N 416.496 6.235 30 40 HKEB COc1ccccc1[C@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)N(C)C 27562231 ODIOXRKRTMMXTF-QFIPXVFZSA-N 412.493 5.090 30 40 HKEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OC 34377713 BSQMBRJYUYIBAM-QFEZKATASA-N 418.884 5.413 30 40 HKEB CCCCCCCCCCc1ccc(/N=N/c2ccc(OCCCCC)cc2)cc1 68569009 QKVSGYRQALOXCZ-ZQHSETAFSA-N 408.630 9.354 30 40 HKEB CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1 100050750 SGZRFMMIONYDQU-NDEPHWFRSA-N 407.579 6.176 30 40 HKEB in-vitro CCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100839413 YQDAXRFMGYIQDW-KVYREEOHSA-N 407.554 6.510 30 40 HKEB CCCCCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 102128957 MQYJBRIBYJJYCI-GNKBHMEESA-N 409.570 6.025 30 40 HKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 102568268 IWPXIOPSSXRGGY-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB CN(/C=C1\C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)CC1=O)c1ccccc1 118929416 BFJVQHDAYWRUQQ-KJCMUTGZSA-N 421.625 5.979 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)cc3F)c3ccccc32)c1 408541362 CKTAISIFCRCBMT-UVHMKAGCSA-N 404.416 5.505 30 40 HKEB COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1F 408619261 AUPNHVQAEGCSQD-UHFFFAOYSA-N 401.665 5.176 30 40 HKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 409076694 BUXVYYKIKBYFCC-NLTKLDOMSA-N 420.578 5.932 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1F 409121320 UQOUWPDETKRKTD-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409202295 QWMDDUWDJVPYRT-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409203947 ZTQMUODHARZPNV-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 409216931 PVBDGTNTJFHUQL-RGVLZGJSSA-N 411.137 6.059 30 40 HKEB Cc1c(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)[nH]c2ccccc12 585295438 ZIUFWWKEMVLPAU-DEOSSOPVSA-N 408.509 5.219 30 40 HKEB CCN(CC)C(=S)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N 1073746 NUMFVZMEVSGAPR-UHFFFAOYSA-N 407.564 5.642 30 40 HKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077626 PIKQHZQHWDYWOE-PIKZIKFNSA-N 424.544 6.373 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1cccs1 1079529 OVUFJQSFOHPFKY-OAHLLOKOSA-N 419.468 5.931 30 40 HKEB C=C(C)C(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OC(C)C 2776059 LVOXIPULLASHPB-UHFFFAOYSA-N 408.317 5.257 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 3042717 UWQNEFROPZQCPV-WYMPLXKRSA-N 421.384 5.397 30 40 HKEB CC(C)(C)c1csc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 4671692 NTZWKJWQTVHOHT-CVKSISIWSA-N 415.562 6.619 30 40 HKEB O=C(/C=C/c1ccc2c(c1)OCCCO2)c1cc(F)ccc1OCc1ccccc1 4771526 FPYMZELCSOUODX-JXMROGBWSA-N 404.437 5.462 30 40 HKEB N#Cc1c(Nc2cccc(F)c2)sc(C(=O)c2ccc(Br)cc2)c1N 8747810 KHEJJAZEIRGHEZ-UHFFFAOYSA-N 416.275 5.078 30 40 HKEB Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 17093420 UNTAVFARBIDCDS-NXYZXBHKSA-N 422.981 6.838 30 40 HKEB COc1ccc(Oc2ccc(/C=C3/CCc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 33421929 PWMDCIGQTYBHIG-JXAWBTAJSA-N 401.418 5.608 30 40 HKEB CCCCCCCN(CCCCCCC)C[C@@H](O)c1ccc(Br)cc1 100350842 KZZSYLKAHGLNRT-JOCHJYFZSA-N 412.456 6.725 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408781638 DIFPFWCJNHJPQB-PCLIKHOPSA-N 409.371 6.950 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2CCc2ccccc2)cc1 408916200 VZIKALUTFOUYBO-KWPJTZOTSA-N 412.558 6.150 30 40 HKEB Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1C 409246432 IHVZSIINPNJXSP-FYJGNVAPSA-N 421.953 5.948 30 40 HKEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 1430975 GRONKESKVLEQQO-FSSWDIPSSA-N 415.924 5.482 30 40 HKEB COc1ccc([C@H]2Nc3c(ccc4ncccc34)C3=C2C(=O)CC(C)(C)C3)cc1OC 1440571 XGIMTIPFSXYBTN-XMMPIXPASA-N 414.505 5.562 30 40 HKEB O=C(c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1 2070659 CQCNRSYTVJZASQ-UHFFFAOYSA-N 418.442 5.995 30 40 HKEB Cc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1 2752887 HURREAQHIHZMBY-UHFFFAOYSA-N 423.541 6.275 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1 3115282 ZTAFZARUEYHBMA-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cc([N+](=O)[O-])ccc1Cl 3211329 RJPYDOUHVQNAHL-UHFFFAOYSA-N 412.898 5.874 30 40 HKEB CCCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 4091853 FSZSTVHJZVQDLZ-UHFFFAOYSA-N 419.528 6.481 30 40 HKEB CC1=Nc2cc(C)c(C)cc2N2C1=CC1=C(C(=O)c3cc4ccccc4cc3C1=O)[C@@H]2C 4774357 SGGYTTHSALQSIX-KRWDZBQOSA-N 418.496 6.031 30 40 HKEB COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2)c1C#N 6043728 NZQBGCAZNNPTQR-UHFFFAOYSA-N 408.526 6.588 30 40 HKEB O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)Sc2ccccc21 8826706 YOMNEZVMGYAMJE-BKUYFWCQSA-N 423.331 6.358 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCc4ccccc4C)ccc3C2=O)c2ccccc21 9422907 KBYMHNJAXCWWFR-VULFUBBASA-N 409.485 6.165 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 16688999 PDHRZDBCSGQHKK-ZHZULCJRSA-N 411.548 5.052 30 40 HKEB CCc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2C2CCCCC2)cc1 18093482 LAKZQTVFEBEDLI-FKMPAVMLSA-N 416.590 6.742 30 40 HKEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc(Cl)cc1 33607707 TUEWRELHHZQGAF-MXAYSNPKSA-N 419.872 5.401 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 83260068 CTALQZKUNUAMFB-PFMNSIPKSA-N 404.579 6.747 30 40 HKEB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)ccc1O 104068340 ODBLWNGUULTYOU-NRFANRHFSA-N 415.489 5.569 30 40 HKEB COc1c(Cl)cccc1/N=C\c1ccc(/C=N\c2cccc(Cl)c2OC)cc1 104192144 MCJVDSHAUWRUKO-WFBNZKAHSA-N 413.304 6.512 30 40 HKEB COC1=CC2=CC(=O)[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 118923647 GVCDWLNEOQUVPM-HIOQHTDTSA-N 412.658 7.347 30 40 HKEB CSc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408858393 OZZFEXRGLMHZFP-IWIPYMOSSA-N 406.576 6.352 30 40 HKEB C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1OCC 408962667 JCTCIINDQXLRTP-RCCKNPSSSA-N 422.550 5.413 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 409107887 XPUAORMBULEFIA-DEDYPNTBSA-N 413.470 5.026 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 409117157 NKBHEVXWOLLPTL-UHFFFAOYSA-N 408.723 5.434 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc(C)cc1 409120226 SNGZIVPZDYCNLK-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB Cc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 715939 WTFVDPWAUMHNLS-UHFFFAOYSA-N 403.507 5.131 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1cccc(-c3nc4cc(Cl)ccc4o3)c1)OCO2 1434927 POOSPRRSQJPTOB-AUEPDCJTSA-N 421.796 5.536 30 40 HKEB Brc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 3094766 AQOLGFCKDHRQNB-LFVJCYFKSA-N 402.295 6.052 30 40 HKEB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)cc(C)c3O)nc2c1 4988527 OETAORZSQAZBFT-UHFFFAOYSA-N 401.397 5.080 30 40 HKEB CC/N=c1\scc(-c2ccc(C3CCCCC3)cc2)n1/N=C/c1ccccc1OC 6392660 KYUMPZVIWMTXLN-CMALBIHKSA-N 419.594 6.076 30 40 HKEB N#Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCC2 6829236 XZQSBCQHMCOAIP-UHFFFAOYSA-N 407.347 6.272 30 40 HKEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21 8559385 UMXFQRMMULMRDY-HSZRJFAPSA-N 403.913 5.842 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc(Cl)c1Cl 8856934 FCAADTFGYZMVOM-NRFANRHFSA-N 423.343 6.742 30 40 HKEB CC(C)c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1C1CC1 10201056 NZHZLXHHYXKNBM-OOWUWCJESA-N 410.587 5.098 30 40 HKEB Cc1nn(-c2ccccc2)c2nc(Cl)c(/C=N/Nc3nc4ccccc4s3)cc12 12493977 GFNDDDSXNHKWHV-FSJBWODESA-N 418.913 5.438 30 40 HKEB COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 20195862 UVXHKIVZPQMXQO-WYMPLXKRSA-N 405.281 5.394 30 40 HKEB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1OC 25076348 ZDBLJFJODBKPSQ-HXUWFJFHSA-N 409.526 5.517 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc1OC 33650997 FYZQDYFJYSRMLA-RQZCQDPDSA-N 423.321 5.292 30 40 HKEB FC1(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95721994 KYMNDYVYZVFFPQ-UHFFFAOYSA-N 416.055 5.014 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)sc1C 102496016 NJXIINYOJVPBAA-GHNGSUTGSA-N 424.909 5.040 30 40 HKEB CCn1c(N/N=C/c2ccccc2OCc2cccc3ccccc23)nc2ccccc21 408692440 MOBWYLFWRYWQLH-MTDXEUNCSA-N 420.516 6.234 30 40 HKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(F)cc1 408852182 JEVXDPBXNGPTNL-NDZAJKAJSA-N 424.519 7.194 30 40 HKEB Cc1ccc(Sc2oc(/C=N\c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 408913830 NZQDZKQZXYYYCP-JAIQZWGSSA-N 417.284 6.161 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 409203203 WOIRIKAKDCWCFX-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O)C[C@H]1O 1529018658 HKXBNHCUPKIYDM-KXWWJZODSA-N 412.658 6.612 30 40 HKEB C=C1C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@H]12 2150827 QXZCBRHBEXEZSO-MJGOQNOKSA-N 400.431 5.131 30 40 HKEB biogenic Cc1ccc(-c2nnc(S)n2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 4754787 CUTFZEZNOZKJJF-IWIPYMOSSA-N 400.507 5.003 30 40 HKEB C1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C/C1=N\Nc1ccccc1 5104035 ZXQLPFHZTSVVFY-UIXFFJCMSA-N 414.552 7.509 30 40 HKEB COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 5541204 ZXOATCSQKGNJET-QSGOCRTASA-N 405.925 6.382 30 40 HKEB Cc1c(/N=C/c2cc(Cc3ccccc3)ccc2O)cccc1-c1nc2ncccc2o1 6714304 YPXJXCWPYXKYKO-STBIYBPSSA-N 419.484 6.245 30 40 HKEB CN1c2ccc([N+](=O)[O-])cc2C[C@](C#N)(c2nc3ccccc3s2)C12CCCCC2 7779469 KNALBRLNDONHRV-QFIPXVFZSA-N 418.522 5.361 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2ccccc21 28182529 VIYAGVVIBJNMSD-MYYYXRDXSA-N 409.485 6.165 30 40 HKEB O=C1[C@H](C[C@@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@@]12OC21CCCCC1 33703855 SRXHLHLYMDYESA-QXVOXHNYSA-N 400.559 5.059 30 40 HKEB biogenic OC1=NC(=N/c2cccc(Br)c2)/C(=C/c2cccc3nccnc23)S1 71288376 FHAFKNZZWOGBHY-DHDCSXOGSA-N 411.284 5.124 30 40 HKEB O=C1C(F)=C(Oc2c(F)c(F)c(F)c(F)c2F)C(F)=C(F)[C@]1(F)c1ccccc1 102038925 VMDOAGVHQZDDSM-GOSISDBHSA-N 424.218 5.540 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC1(F)F 103540113 LGAZGMJSVLHBEF-LURJTMIESA-N 416.055 5.014 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1C 408561246 ZPIIXTJFWRYRPB-UHFFFAOYSA-N 421.010 5.670 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1C 408740189 JFDQKFIZMUALGG-HMAPJEAMSA-N 407.583 6.119 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)ccc1O 408907340 BELBOPZBZGLYMS-KMCMYJHDSA-N 410.539 5.502 30 40 HKEB COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)c#cc1OCc1cccc(C)c1 409025969 CDEBZTAJMBPAIV-WPWMEQJKSA-N 409.489 5.428 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(F)cc1 409115946 JXVDLPMLZPFRQL-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C 409209921 IHKBUPSOVXZNFZ-RGVLZGJSSA-N 407.105 5.283 30 40 HKEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)c(OC)c1 718227 NHSZDZJECDSBPQ-DEOSSOPVSA-N 400.478 5.125 30 40 HKEB CCCC/N=C1\S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCCC 5552200 OUSWFSPHHVNMMQ-ADGFTTEDSA-N 416.974 6.473 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 8715771 VPYYDXBSZUXNCV-NRFANRHFSA-N 403.865 5.431 30 40 HKEB C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccccn1 13325855 MWRAOCDDHFGIGL-UHFFFAOYSA-N 405.552 5.250 30 40 HKEB O=C(NC1CCCCC1)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 100433435 XZHMQBVGWBTQQE-CFRMEGHHSA-N 410.539 5.169 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccccc1 100529850 IXNGZRCWYHLWFJ-PNFLQUQDSA-N 413.955 5.500 30 40 HKEB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC3=C2C(=O)c2ccccc23)cc1 102930125 RJUSCLCKSYZBEZ-NLFFAJNJSA-N 417.508 6.531 30 40 HKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO 104326610 WVQBZUKUDNIVMK-UHFFFAOYSA-N 408.715 7.512 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1ccccc1F 223676095 BBZVYSYISIXBOY-UHFFFAOYSA-N 400.482 5.106 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 247996066 AHSAQRLLZMVWMN-SDJHYYEFSA-N 408.611 5.321 30 40 HKEB C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OC 408927371 WEHGNPDFPHOXCW-UHFFFAOYSA-N 421.537 5.083 30 40 HKEB N#Cc1c(/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)sc2c1CCCC2 409063218 IVEPHSUKHRJKJS-MYKKPKGFSA-N 410.882 5.861 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1cccc2ccccc12 409115392 MBJKBEYMOBTRAM-UHFFFAOYSA-N 423.556 7.076 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1cccc2ccccc12 409119232 RYLOVNTWSYXLMH-UHFFFAOYSA-N 423.556 7.076 30 40 HKEB Cc1cc(/N=C\c2cc(C)n(-c3ccccn3)c2C)ccc1I 409240991 MRDCXSSTYORILS-UUYOSTAYSA-N 415.278 5.153 30 40 HKEB C=C(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(CCCC)cc2)cc1 2171432752 ZSHGJPAUWXMYCA-UHFFFAOYSA-N 422.569 7.503 30 40 HKEB C=CCOc1ccc(/C=C2/SC(Nc3cccc(Br)c3)=NC2=O)cc1 2668840 IVXUFKIBIIWWHI-GZTJUZNOSA-N 415.312 5.096 30 40 HKEB CC(C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 3178370 YSHIANUJWZXKBT-UHFFFAOYSA-N 409.942 5.304 30 40 HKEB O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N\OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4014488 DDXJTNNYJDQXBU-AXNLMSORSA-N 403.822 5.387 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5478042 POUKFGBJOYCGGV-UHFFFAOYSA-N 424.545 5.299 30 40 HKEB CCOc1cc(Br)cc(/C=N/c2ccccc2N2CCCCC2)c1O 6570160 CIRDCFBUEQXUIA-HYARGMPZSA-N 403.320 5.294 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 6758639 NPPYCKFMNMTBEP-BRJLIKDPSA-N 410.832 6.142 30 40 HKEB Cc1nc(SCC(=O)c2cn(CCC#N)c3ccccc23)n(C2CCCCC2)c1C 8012941 YXXHHTXYMZKUHW-UHFFFAOYSA-N 420.582 5.849 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)sc1C 8837877 PFODPDCZBMPSQX-SFHVURJKSA-N 424.909 5.196 30 40 HKEB Cc1csc([C@@H](C#N)C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)n1 9949874 OHTUNDFOAOGOBS-HNNXBMFYSA-N 422.560 5.092 30 40 HKEB Clc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 13108124 XBRPAYKTIZZVTN-ZVHZXABRSA-N 401.293 5.841 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 13134049 IDPQIAAABUYMOZ-UHFFFAOYSA-N 422.893 5.158 30 40 HKEB C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C1CC1 20969946 HUANJDSJPRXORX-UHFFFAOYSA-N 420.563 5.263 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 35312845 NZXSPZVYTXJYQT-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3F)nc2-c2ccccc2)cc1 59463657 CCOJLAFLBCCGQI-ZVHZXABRSA-N 403.438 6.275 30 40 HKEB CCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100879169 FPYRGCROSOOTIF-ONNMZWHZSA-N 421.581 6.900 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl 102624158 NFUOOGDDWNYDJM-JBCNATCCSA-N 421.855 5.414 30 40 HKEB N#Cc1cc(Cl)ccc1NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 199417628 MKAOJQLRZYUKRC-UHFFFAOYSA-N 403.869 5.295 30 40 HKEB CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 408727510 SKKHXNGUISYJRY-BLOQEJBCSA-N 408.592 6.345 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl 409010379 KFUZXTXYXUDXAX-UMPMLLCLSA-N 400.931 5.751 30 40 HKEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409090376 PGCQYDYKNDVQBJ-JMYYYQBNSA-N 418.566 5.512 30 40 HKEB Cc1ccc(CCCN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295151 NERIVIBCGSNLSY-HXUWFJFHSA-N 407.543 5.215 30 40 HKEB CSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(Cl)cc2)c1C#N 856101 SJJGYMUGKWTGQQ-UHFFFAOYSA-N 407.926 5.865 30 40 HKEB C=CCN(CC=C)Cn1nc(-c2ccncc2)n(-c2cccc(Cl)c2C)c1=S 3224531 FBBCBDKDLCSYNH-UHFFFAOYSA-N 411.962 5.059 30 40 HKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)cc1 5477896 SSTQPDVPDHKJGT-UHFFFAOYSA-N 412.518 5.415 30 40 HKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1cccc(Br)c1 12032550 YVTCMHNJVAQEOC-PDGQHHTCSA-N 409.308 5.494 30 40 HKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 12484919 JWUBBDSIWDLEOM-OSIOTJDJSA-N 400.647 6.734 30 40 HKEB world O=C(/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 12619754 QXEIBUURUKJSGZ-UYRXBGFRSA-N 421.456 5.239 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 13482341 JFDHLSJSCLORCK-BQNIGPCOSA-N 412.489 5.071 30 40 HKEB N#Cc1c(N)nc(SCc2ccccc2C(F)(F)F)c(C#N)c1-c1cccs1 19851692 UCDSINRDQXTMCL-UHFFFAOYSA-N 416.453 5.447 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl 59105877 MWINJXCJDKCGNJ-MHWRWJLKSA-N 421.280 5.036 30 40 HKEB O=C(/C=C\c1c(F)cccc1Cl)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 95116050 SYSIWOKPMKUHFM-YPKPFQOOSA-N 403.840 5.884 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339929 CJSYIIKBMAROQL-UHFFFAOYSA-N 416.098 5.678 30 40 HKEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2cccc(F)c2)c(C)c1 408721856 APQOBMQBJUSYEZ-LVWGJNHUSA-N 406.413 5.155 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1Cl 408753541 ARILAUZGNKTSEP-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)cc1 409104512 JILIYAJRCLRGPV-NLRVBDNBSA-N 402.494 5.383 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409114056 IIYVIQHWMGFKPX-YVNNLAQVSA-N 420.303 5.228 30 40 HKEB Cc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(Br)c1 409240023 PFQDFRVPLYQNOS-VULFUBBASA-N 421.313 6.650 30 40 HKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)CC1 409274049 UJSSEUWEBQMVFF-CIRUFVMISA-N 409.599 6.351 30 40 HKEB CCn1c(C)cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1C 409293226 XJRQZXBERQWIPZ-UHFFFAOYSA-N 410.477 5.130 30 40 HKEB Cc1cccc(-n2cccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409402151 DAAFTXDRSUCKGU-UHFFFAOYSA-N 404.473 5.045 30 40 HKEB CC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330207 MMHLHNRNPRYCSJ-ARJAWSKDSA-N 424.147 6.327 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1F 1076705 AEDFYJGBWKBISO-LBPRGKRZSA-N 420.303 5.177 30 40 HKEB C(=N/N=C/c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 2164201 LOCPRVUHECBZFB-CZYCKNNWSA-N 420.512 6.298 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2450798 FKARSFCACZCLLK-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 3206069 PYLOKYZYQQZXRO-KMNHIJHVSA-N 403.825 6.472 30 40 HKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCCC3)cc1C 4554190 YCVLOWYYBZPDNU-VULFUBBASA-N 406.526 6.386 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5336624 AHSAQRLLZMVWMN-OTMBTISUSA-N 408.611 5.321 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 5336626 AHSAQRLLZMVWMN-BMVPKNTRSA-N 408.611 5.321 30 40 HKEB COC(=O)c1c(/N=C/c2cc(/N=N/c3ccccc3)ccc2O)sc2c1CCC2 5511257 JOYNTCNCDSYORA-JLUADYMRSA-N 405.479 5.895 30 40 HKEB CCCCCCCCCCCCSc1nnc(-c2ccccc2)n1-c1ccccc1 8424417 RPYYZTOHZGRGRY-UHFFFAOYSA-N 421.654 7.947 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 13550448 ZFMDNGPLSQQHCO-FOKLQQMPSA-N 411.248 6.196 30 40 HKEB CCCCN(CCCC)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 15906647 BXDXEBAIUUIQLO-KOEQRZSOSA-N 421.891 5.550 30 40 HKEB N#Cc1ccccc1COc1c(Cl)cc(C(=S)N2CCCCC2)cc1Cl 33795269 YRAJAMCTBBIHCG-UHFFFAOYSA-N 405.350 5.605 30 40 HKEB C#Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2nnc(C)s2)c1 58005877 XBPKPJLWEVKATC-UHFFFAOYSA-N 405.504 5.119 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc21 408692493 NRWSYJPRJGBIJE-LPYMAVHISA-N 409.287 5.525 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408744160 YYXDPNGDADXYJS-JLPGSUDCSA-N 424.525 6.283 30 40 HKEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC(C)C)c(OC)c2)C2=C1CCCC2=O 408920157 HVVIPJDYLNECBB-UHFFFAOYSA-N 423.553 5.306 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1cccc(F)c1 409118827 QGOBARDOBQVHGY-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)ccc1Cl 409200217 HARWNMNWZRIIKB-WSDLNYQXSA-N 413.817 5.131 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409202862 STALXKBSQGRCFS-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 2752257 CIYGSGPRJJWFLV-OAHLLOKOSA-N 400.975 5.995 30 40 HKEB Cc1c(/N=C/c2cc(Br)ccc2O)cccc1-c1nc2ccccc2o1 4150558 BZJOESSJEKFGBG-FSJBWODESA-N 407.267 6.022 30 40 HKEB Cc1ccc(C(=O)/C=C2\Nc3ccc(C)cc3N\C2=C/C(=O)c2ccc(C)cc2)cc1 4235727 WSEURZABLMMBCG-URXAUHHJSA-N 408.501 5.983 30 40 HKEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC=C 4611343 FIYUDZLXMKPHGE-PGMHBOJBSA-N 417.505 5.458 30 40 HKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1 4739372 JCWOGWHXKYVZNS-NDZAJKAJSA-N 401.513 7.060 30 40 HKEB Clc1ccccc1CN/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 8811563 ZWUKTLBKSVPZEF-OCSSWDANSA-N 423.947 6.620 30 40 HKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 11866182 XJCFVHQRPKCYFF-QYYYSUCBSA-N 422.480 6.102 30 40 HKEB biogenic Cc1oc2ccc(O)cc2c1C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 12195212 UHXUCDCZSZIMPJ-VQHVLOKHSA-N 423.262 6.365 30 40 HKEB Cc1ccccc1-n1c(SCc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 12620202 AUQHAOHQQPKUBW-UHFFFAOYSA-N 417.921 5.512 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(N/N=C/c3ccccc3)nc2-c2ccccc2)cc1 59484248 YILOPCAJPFFDMT-HZHRSRAPSA-N 400.463 5.831 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OC)c2)cc1 59663742 HDRHMUPXBJWEAU-UHFFFAOYSA-N 400.471 5.137 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 223516671 LCYAPLFYIKUSPF-NDZAJKAJSA-N 424.588 7.948 30 40 HKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccccc1 408738230 SETZOVBGSVSIKW-FYJGNVAPSA-N 400.263 5.449 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 408739529 CMICXVDFHBSODC-BHGWPJFGSA-N 401.318 6.816 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 408754816 OIKMWELFNICKQG-KQWNVCNZSA-N 414.530 5.720 30 40 HKEB Cc1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1[N+](=O)[O-] 409210203 IZBCBHQMCODERE-OESWBVNESA-N 413.499 5.252 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S/C1=N/c1ccc(F)cc1 409238771 NSMILQVXNUBYKK-CWFNPDHMSA-N 402.494 6.117 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3C)nc2c1 1883295 WISIZPRQFCSHHI-OPEKNORGSA-N 411.288 6.875 30 40 HKEB CCOc1cc(/C=N/N=C(\S)Nc2ccccc2)ccc1OCc1ccc(C)cc1 4136697 NUYXRXRPTIZNBQ-PCLIKHOPSA-N 419.550 5.705 30 40 HKEB CCc1c(CC/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc2ccc(C)cc12 4293259 SRFZRNYVNORIDG-HYARGMPZSA-N 410.430 5.541 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(C)cc1 5477912 ZJHHRWURDOSHFS-UHFFFAOYSA-N 420.582 5.513 30 40 HKEB CC(/C=C1\S/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)NC1=O)=C\c1ccccc1 13787710 SCWDNDBWHVYYLD-YZXVBUGESA-N 422.859 6.197 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(CCCC1=O)O2 18196908 LCWPFPCMXXLTCS-VWLOTQADSA-N 412.533 5.895 30 40 HKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 32931740 ZIFSEMZJPZKEAN-SFHVURJKSA-N 414.814 6.267 30 40 HKEB Cc1cc(I)ccc1/N=C/C=C1/N(C)c2ccccc2C1(C)C 97840652 MBNPOSCWIDVLKO-AKESQTLWSA-N 416.306 5.613 30 40 HKEB C=CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 225815084 KAXKODOTIGPYTL-JWGURIENSA-N 418.518 5.031 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccccc1 408594638 IZTVVQLQGRKNIG-AFUMVMLFSA-N 421.294 5.450 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 408913524 MUVWZAXYRJEDCG-FTJNEJEMSA-N 406.551 5.940 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408945190 WDFOHHADARMGPQ-YUMWLGHMSA-N 416.524 7.123 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1cccc(C(=O)O)c1 409057804 MJCZKGNRROFGHF-XFKFKZEQSA-N 408.523 5.306 30 40 HKEB C=CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409119432 PHYNLKUZZJDNKE-UHFFFAOYSA-N 401.506 6.393 30 40 HKEB CCOc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 409213236 TYACLQWQAPPWJL-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409214410 XIEKPTABTKMDPT-JVWAILMASA-N 401.893 6.831 30 40 HKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1-c1ccccn1 409229889 ATHZHDAPNBJISC-JVWAILMASA-N 401.897 6.685 30 40 HKEB C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(/N=N\c2ccccc2)cc1 584905945 AEFXIBIKXVEEHM-XLYXTWMMSA-N 410.546 7.359 30 40 HKEB COc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3 1195866 UQJNDVXCPPAXHL-SSDVNMTOSA-N 400.272 5.539 30 40 HKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2425023 MQZDBQWOZWYAPK-UHFFFAOYSA-N 411.509 5.254 30 40 HKEB Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 5504831 NFJCTVMOXMENIW-XMMPIXPASA-N 411.549 6.178 30 40 HKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cc(C)cc(C)c2)c2c(C)oc(C)c21 6783939 UQEZSAYHLZZEAN-UHFFFAOYSA-N 413.517 6.349 30 40 HKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Cl)cn1)CCCC3 6863433 PNWNPYIYOOQOEI-LSFURLLWSA-N 405.679 5.579 30 40 HKEB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 6886437 UIMPXQHGRIKAOZ-UHFFFAOYSA-N 416.502 5.122 30 40 HKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)OCC)n2)cc1 16728818 ZFCYJAKLQCNNHB-UHFFFAOYSA-N 424.444 5.083 30 40 HKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2c[nH]c3c(CC)cccc23)C1=O 20030432 DKPKCKYBPGDWNZ-UYRXBGFRSA-N 418.518 5.274 30 40 HKEB CCCCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 51318595 MLJLDQZIKTVYQD-OUKQBFOZSA-N 402.288 5.215 30 40 HKEB COc1ccc2c(c1)CCc1sc(/N=C/c3c4ccccc4cc4ccccc34)nc1-2 59459294 IBRKYOGSSRGJQG-LQKURTRISA-N 420.537 6.974 30 40 HKEB C=CCn1c(-c2cc3ccccc3oc2=O)cs/c1=N/c1cccc2ccccc12 100060677 JRPDGROJXUSUIP-OCEACIFDSA-N 410.498 5.895 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Br)cc(C)c2O)sc2c1CCCC2 103776291 GVSFMKMSQKOGML-UFFVCSGVSA-N 422.344 5.331 30 40 HKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 118916006 ZXGJYVCSCCHJLY-FVVQMSCGSA-N 410.602 5.177 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C 118925620 OTMAHRHFFYYQJU-SAFBEDNKSA-N 415.662 7.117 30 40 HKEB N#Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226339643 YPYOSRRKQJADQX-UHFFFAOYSA-N 401.485 5.316 30 40 HKEB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1Cl 408620010 GLIBOOYORKUHAH-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB Cc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 408756068 QSJKJWUNFJRVIJ-YBEGLDIGSA-N 401.329 5.266 30 40 HKEB Cc1c(Br)c(/C=N/c2cccc3ccccc23)c(C)n1-c1ccccc1 408856574 QLJDOIVJQJMPSG-MFKUBSTISA-N 403.323 6.760 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Sc4ccccc4)o3)c2C#N)C1 409081799 QIAQLWWEWZACNC-KSXCTLEASA-N 420.603 7.266 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 409201703 NLSRQKMTCLEIBX-VULFUBBASA-N 414.332 7.030 30 40 HKEB O=C(/C=C/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 2388803 ICFONFRQWDJIMP-CCEZHUSRSA-N 402.925 5.526 30 40 HKEB C=C(C)C[C@H]1C=CC[C@H](CC(=C)C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 2986718 DGSKIQFMHNWEFR-RBSFLKMASA-N 403.382 5.112 30 40 HKEB CCOc1cccc(/C=N/c2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1O 3066719 WOXOXIHZRCUDJN-VULFUBBASA-N 400.478 6.275 30 40 HKEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3ncc(C(F)(F)F)cc3Cl)o2)cc1 5446443 UEFLEYFTSIPTGT-KIBLKLHPSA-N 407.779 5.662 30 40 HKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 8811849 CVZVEYGASBLGMS-DHRITJCHSA-N 415.320 5.705 30 40 HKEB C/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 12599412 ZFWCBHLCUTWKET-DNTJNYDQSA-N 417.705 5.266 30 40 HKEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C(C)=N/c1ccccc1CC 13774067 WIAUIUONGGPSLB-BUVRLJJBSA-N 404.539 5.843 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c2ccccc21 28182783 RGVCCDYOTZZXDO-GHRPQRKGSA-N 416.521 5.215 30 40 HKEB CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 100242809 FBGIBNIVKIPXTQ-MYYYXRDXSA-N 408.885 5.507 30 40 HKEB Cc1cc(-c2ccc(/N=C/c3ccccc3O)c(C)c2)ccc1/N=C/c1ccccc1O 100287991 BEDLGXJEYNEBOO-YAGSLNJISA-N 420.512 6.883 30 40 HKEB C[C@@H](O[C@@H]1CCCCO1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929497 IOBZAMAGLIOWSA-GOQZGANQSA-N 400.603 6.066 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC 408622489 QRPJOVWAENFODJ-UHFFFAOYSA-N 419.477 5.703 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 408781659 DYPZWBGSKOTGBD-STZFKDTASA-N 409.555 5.510 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S1 409021364 DHYHXFLGQKINSW-JAIQZWGSSA-N 419.893 5.672 30 40 HKEB Cc1nc(N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)sc1C 409180207 PZXWKFVQRCFYHP-DHRITJCHSA-N 405.498 6.077 30 40 HKEB C#CCn1c(C)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409385715 JQVICBPCRUQUES-LQKURTRISA-N 419.440 6.318 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)o1 409407034 SFBJKYIMINFIQZ-UHFFFAOYSA-N 423.497 5.690 30 40 HKEB O=C(O)c1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 1431129 GEXIQEHMNALHIJ-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1 2186443 JPXQCHYPTRBXMZ-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB Cc1ccccc1/N=C1\SCc2ccccc2N1C(=O)c1ccc(C(C)C)cc1 3292114 FKDIMVLORLRGQY-QPLCGJKRSA-N 400.547 6.700 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 3668450 SNJYWSNTYATPIO-FTJNEJEMSA-N 400.503 5.499 30 40 HKEB Cc1ccc(CSC2=N[C@@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 4085568 YBQSAQGKZWNXJH-QHCPKHFHSA-N 414.505 5.675 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 5175428 RUFDUCHUWXGWDI-XMMPIXPASA-N 404.510 5.248 30 40 HKEB C(=N/Nc1nc2ccccc2[nH]1)\c1sc(N2CCCCC2)nc1-c1cccs1 6088124 CWGGLYVWOKQJHX-FYJGNVAPSA-N 408.556 5.184 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 6959843 HNOBPIGEJPFEEJ-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB N#C[C@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccccc2F)[C@@H]2C=Cc3ccccc3N21 16491716 UTMFFJBYXXYMIB-MVVJZGTDSA-N 419.459 5.110 30 40 HKEB CC(C)C[C@@]1(C(=O)Nc2ccccc2)O[C@@]1(C(=O)c1ccc(F)cc1)c1ccccc1 65734415 WTTRRISNQAPVTN-IZZNHLLZSA-N 417.480 5.358 30 40 HKEB in-vitro CC(C)(C)C(=O)N1CCC(=NOCc2csc(-c3ccccc3Cl)n2)CC1 84140012 NKHSKGKYJJSYHC-UHFFFAOYSA-N 405.951 5.005 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=N\c1ccc(/N=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100365476 SCDLLHGZJNONCR-XNCVTSBMSA-N 404.554 5.882 30 40 HKEB CCCCCCCCc1nc(CCCCCCCC)nc(CCCCCCCC)n1 104049953 JREMNSRRCWCJFL-UHFFFAOYSA-N 417.726 8.581 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)c(C)c1 408941525 VZCSSYLIEGRSOO-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c1C 408954014 RLQLWBMYMKHIGV-JCMHNJIXSA-N 416.550 5.052 30 40 HKEB C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409045260 FXWQUWYAENHENY-UHFFFAOYSA-N 417.288 5.133 30 40 HKEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409068281 LCDCIWJUMIGFRU-BOPFTXTBSA-N 404.274 5.246 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)NCc2ccco2)C1 409085051 WKULBANPOGUZQN-BCYKDHKFSA-N 420.578 6.173 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 409201857 OPGFDLMBDRCDPK-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB CCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5023029 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104152844 JNLYNDPJNVTJSG-LBXGSASVSA-N 422.746 7.188 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223533903 RHBARAQNCHUNLU-SFNVVVPJSA-N 419.594 6.033 30 40 HKEB CC(/C=C/[C@@]1(C)[C@H](C)C(=O)C=C[C@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 253390658 ZLAQYJKDQSZARB-FUIYZSDZSA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro O=C1CCCC2=C1C(c1ccc(-c3ccc(F)c(Cl)c3)o1)C1=C(CCCC1=O)O2 408600290 BDNDRWBHDWYCMV-UHFFFAOYSA-N 412.844 5.867 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 408723446 VBFCMRGZOMIDPL-WPWMEQJKSA-N 412.558 7.360 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O 408905695 CMWXNCZRNUXZKM-LBHLTJTCSA-N 414.530 6.060 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2CC(C)C)cc1 408915422 YFUMSPLKXXBGTG-WRIATZMJSA-N 422.594 6.290 30 40 HKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409019527 TXOTWCFKSDSHSS-MKVLZVNKSA-N 407.969 6.164 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CC(C)C)C1=O 409080038 KTNOSBTYGFFJOB-HTEZIOAISA-N 414.958 5.999 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(F)c(Br)c3)c2C#N)C1 409211887 ONXKQUAHZVPQKC-PMZVSURPSA-N 419.363 6.423 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N/NC(=S)Nc4ccccc4)ccc32)c1 409221149 LPPHEDVNXSBHKZ-MFKUBSTISA-N 402.498 5.149 30 40 HKEB Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1ccccc1 409388858 WTYOOIJTQRJBEX-LQKURTRISA-N 421.456 6.829 30 40 HKEB C=CCn1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385212 RUQRAKDORXPBCB-WPWMEQJKSA-N 404.473 5.086 30 40 HKEB Cc1cc(Sc2ccc(Cl)cc2)nc(Sc2ccc(Cl)cc2)c1C#N 1579476 JIUBIVFXNBQNOD-UHFFFAOYSA-N 403.359 6.871 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(C)(C)OC3 1817908 CKZUFTTWYWQQAA-UHFFFAOYSA-N 422.660 6.028 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)cc1OC 2107732 QYFNHEXMWODMOE-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic CCCCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 4285265 HNBAYFOIEDNXDP-DEOSSOPVSA-N 423.553 5.319 30 40 HKEB Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 4651587 QQBKZPLGKBYNRX-YZWKYCEZSA-N 404.558 5.074 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)c(C)c1 4664383 CTPDULBJJINEQS-QMSJJHEMSA-N 408.567 5.962 30 40 HKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 6266043 CZXNEWQTOMPCAX-OAQYLSRUSA-N 418.928 5.430 30 40 HKEB Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 6504652 OKBNCNMPNHWOPW-CQSZACIVSA-N 411.596 5.206 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 8821111 VOGDCWBUUGTKND-UDWIEESQSA-N 419.462 5.363 30 40 HKEB COc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3Cl)C(=O)C2)cc1OC 9335041 ANRKMXQFGBFICR-UHFFFAOYSA-N 420.292 5.022 30 40 HKEB O=C(c1cnc(Cl)c(Cl)c1)N1/C(=N/c2ccccc2)SCc2ccccc21 13137206 OERWVPUGSVQEEE-GFMRDNFCSA-N 414.317 5.970 30 40 HKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182845 ULSHRMKFWYKLSU-UCQKPKSFSA-N 404.510 5.215 30 40 HKEB O=C1NC(=N\c2ccc(F)cc2)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1 32597755 HBCHMMFHWRRIAX-MNXDUIDKSA-N 403.822 5.384 30 40 HKEB CCCCCCCCCCCn1c(Cc2cccc3ccccc23)nc2ccccc21 50861352 YVCZJHIECMIWFS-UHFFFAOYSA-N 412.621 8.311 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 98001629 RUCRANXFIYJBTG-RPBOFIJWSA-N 407.727 8.579 30 40 HKEB CCCCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 100816434 WPAGSSBNDGAQBY-XDHOZWIPSA-N 423.553 6.255 30 40 HKEB CCn1nc(C)c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C 118916004 ZHLQDHFHQIQYGH-HAICOFGSSA-N 424.629 5.486 30 40 HKEB CN(/C=C1\C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118927468 FJXSGEDXKWIWEK-AZRLALPQSA-N 407.598 5.589 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc2ccccc2c1 408590294 HGMOFKDIPOFHCG-STBIYBPSSA-N 422.484 5.850 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2C)c1C 408657888 NSTZGXKLLCJJLT-ZMOGYAJESA-N 407.905 5.089 30 40 HKEB Cc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408729758 CMUGEIRRWZUBSA-DFKUXCBWSA-N 412.536 7.870 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(OCC(C)C)c2)S/C1=N\c1ccc(C(=O)O)cc1 409059559 SDJLEAPNZJRZFE-PGBYLALNSA-N 424.522 5.044 30 40 HKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1 409110426 VZCLSBFHHXNBJM-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)c1ccccc1 1029497 NMOQGGFRBOLBBY-UHFFFAOYSA-N 404.438 5.676 30 40 HKEB O=C1C(O)=CC(=C(c2ccccc2)c2ccccc2)c2cc(Br)ccc21 1593905 KFIOGWCDMCQHRI-UHFFFAOYSA-N 403.275 6.046 30 40 HKEB Cc1ccc(OCCOc2ccccc2/C=N/NC(=S)Nc2ccccc2)cc1C 2850174 UQGLRWIBMAVRFL-KOEQRZSOSA-N 419.550 5.082 30 40 HKEB CC/C(=N\OC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C)cc1 4651555 AYXAPUQPMFUGAW-QCWLDUFUSA-N 422.528 6.798 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 5453173 YBGNTBYIXGTDRY-RIZTWRGLSA-N 401.679 7.938 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 6226194 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95117248 PDWYILKIOVKTBW-OAHLLOKOSA-N 414.288 5.183 30 40 HKEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc3ccccc23)C(=O)C1 100004746 WNMFUGGGXYQVAC-QHCPKHFHSA-N 418.533 5.699 30 40 HKEB COc1ccc(/C=N\CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 100305876 CIMBWRCZKFKGHE-SZJFIWSWSA-N 403.478 5.074 30 40 HKEB biogenic C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530153 MIEYGLYKERILQG-NSCUHMNNSA-N 410.120 5.937 30 40 HKEB COc1ccc(/C=C\C2=CC(=O)C[C@H](/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC 104195355 XIRQHZXXHMDKQE-BTKHCVNVSA-N 420.505 5.353 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 113857155 AMQZRYIKMLFTJP-RPPGKUMJSA-N 400.425 6.528 30 40 HKEB COc1cc(Cl)c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OC 408737952 GIQVYYHIOPSYEB-IDUWFGFVSA-N 423.321 5.211 30 40 HKEB C=CCn1c(C)c(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c2ccccc21 408812110 CBXSVTIAGOKVQF-UHFFFAOYSA-N 422.961 5.861 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)c1 408906086 AKGKIEMWUGEONE-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 409053341 BZAPWBLTNAWJNG-FSJBWODESA-N 401.249 6.231 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(C)cc1 409113595 HSGXBDHLCZLJGK-UHFFFAOYSA-N 401.550 6.540 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F 409114238 GIPGRXYVOYTHLQ-UHFFFAOYSA-N 407.485 5.763 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 409208231 AZQOKLSBRXIDTG-VULFUBBASA-N 414.332 7.030 30 40 HKEB C=CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 409212384 QXMRTLOKALMFGR-RCCKNPSSSA-N 420.559 5.108 30 40 HKEB CCN1C(=O)/C(=C\c2ccccc2Br)S/C1=N/c1ccc(F)cc1 409229507 QAGUFIFXELQPNW-FGVWYHQHSA-N 405.292 5.212 30 40 HKEB C=CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409406321 XHRIRUFZEPLOGP-UHFFFAOYSA-N 415.880 5.164 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 2447349 NMIPEEWWRDJWOI-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB Clc1cc(Cl)c(N/N=C/C(Br)=C/c2ccccc2)c(Cl)c1 3244663 IONQXZSFGJLZSZ-XUZDJJGSSA-N 404.522 6.481 30 40 HKEB FC(F)C(F)(F)Oc1ccc(/N=C/c2ccncc2)cc1/N=C/c1ccncc1 3356868 WOFVCLQQJMUINI-ZDMXEENZSA-N 402.351 5.215 30 40 HKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)o1 4699666 PNPFLQZHDBWNDV-ONAMSPKSSA-N 410.298 5.095 30 40 HKEB S/C(=N/c1ccc(Br)cc1)SCc1ccc(Cl)c(Cl)c1 6512114 AOZXIXDHVSKSCI-UHFFFAOYSA-N 407.185 6.607 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 15552410 IXZXGHCEEMXDJV-VULFUBBASA-N 406.869 5.350 30 40 HKEB FC(F)(F)c1cccc(/N=C2\NC(=S)N(c3ccccc3)C23CCCCC3)c1 17207124 HYHVNUVSKKXJTL-UHFFFAOYSA-N 403.473 5.833 30 40 HKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc2cc1C 34791541 XJCSTVVVBCELQV-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(-c3ccccc3)cc(Br)c1O2 40545944 JWVGJEVPCKBOBW-NRFANRHFSA-N 412.283 5.414 30 40 HKEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 44973493 VINHBWOQGVUEOL-QGZVFWFLSA-N 408.571 5.070 30 40 HKEB CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 97997732 GYBULVXFLUTGMO-QQTULTPQSA-N 419.565 6.859 30 40 HKEB CCCCn1c(/N=C/c2ccccc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176695 GBDLAGFEIJYQDE-MWAVMZGNSA-N 403.529 7.244 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccccc1 104268339 WLKLVBQJQJTOHQ-AREMUKBSSA-N 417.678 7.361 30 40 HKEB CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918059 MRTBVEZPPZIQIP-GYCGJSMDSA-N 400.603 6.114 30 40 HKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757671 ZFICURKFKVQGJY-UHFFFAOYSA-N 407.470 5.094 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408844246 BQGMIFGBBDDIRU-IXORVSQSSA-N 408.929 6.710 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408865413 CIEGUAIPHWLPBN-HMAPJEAMSA-N 417.534 5.303 30 40 HKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1O 408939944 NHHPBRSEIRFQFY-LNUSEWDXSA-N 410.517 6.286 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408945192 WDFOHHADARMGPQ-ZSJALTFISA-N 416.524 7.123 30 40 HKEB O=C(COc1ccc(/C=N/c2cccc(Cl)c2)cc1Cl)Nc1ccccc1F 409389461 ZIGZOMDHWJHOIF-BRJLIKDPSA-N 417.267 5.901 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1 859624 ZPFKMHMMFGIFAT-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 2180576 ZZBLITXNMWDFKE-UHFFFAOYSA-N 402.972 5.469 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 2331246 PMFKVTALUGFERM-LFUMJXIHSA-N 405.498 5.223 30 40 HKEB CCOc1ccc2nc(S/C=C/C(=O)c3ccc(Br)cc3)sc2c1 2559198 WEXGAOSFINPVRF-MDZDMXLPSA-N 420.353 5.946 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 3115317 AAFWLIJEPJPWLF-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1cccc(C(F)(F)F)c1 3133674 RZGOPYOWALBCAG-UHFFFAOYSA-N 408.301 6.450 30 40 HKEB COC1(O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)CCCCC1 4808207 QVDKTVDGDYZESK-OOPVGHQCSA-N 400.603 6.210 30 40 HKEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 5451864 HMZYMFBMDRSKEE-UHFFFAOYSA-N 409.489 5.083 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(Cl)c1 8559389 RPLJWWQFUYLEOH-HSZRJFAPSA-N 417.940 6.170 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 9309907 NTWNZJSDUMFADM-NDENLUEZSA-N 419.462 5.363 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(F)cc1 16268133 SJHRIJUJNITWMO-IBGZPJMESA-N 413.279 6.349 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 16524944 IBQYSSJTNSLJNR-DEOSSOPVSA-N 404.897 6.114 30 40 HKEB CCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc2cc(Cl)c(Cl)cc23)cc1 16678188 AINVHSWIBUAXPU-FCDQGJHFSA-N 400.313 5.548 30 40 HKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1 19841566 OWMZSIJQASYJKG-UHFFFAOYSA-N 423.969 6.074 30 40 HKEB CC(C)c1ccc(-c2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 23054856 IDCHUCMMWBYRSS-UHFFFAOYSA-N 419.506 5.143 30 40 HKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 59105696 SYFVBDOWAMZGGE-KGENOOAVSA-N 404.466 5.296 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc4c(c3)OCO4)sc2-c2ccccc2)cc1 59484371 ATFRFMIHKVACPK-AFUMVMLFSA-N 413.502 5.960 30 40 HKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c(C)c1 101650636 MEABDSLCGBJLNY-TWMRLEJJSA-N 409.555 5.017 30 40 HKEB C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](CC=O)[C@@]3(C)CC[C@H]12 253504160 CZNBRGKOCBBHEM-FUBMTNDXSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro CN(N=Cc1ccccc1)P(=O)(Oc1ccccc1)N(C)N=Cc1ccccc1 263621386 FBIBOVOWNYKJSB-UHFFFAOYSA-N 406.426 5.105 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/OCc2ccccc2C#N)cc1 408597140 XDPWIVWQAUWCEW-STBIYBPSSA-N 406.485 6.150 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409210506 KYLZAJKUUUTNAV-WGOQTCKBSA-N 418.493 5.170 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1O 409210742 KWOKRZYVWOFRCL-DJKKODMXSA-N 415.658 5.108 30 40 HKEB CC(C)(C)/N=C1\O[C@@](c2ccccc2)(C(F)(F)F)N=C(S)N1c1ccccc1 1087607 TWXHYYIZSLTJDK-UZXDDYOISA-N 407.461 5.379 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(F)cc1 2208112 RGCWFXSQYBMKQC-UHFFFAOYSA-N 424.545 5.299 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C/c2ccccc2Cl)C1=O 2905707 SHTAMCSSWRLVGW-LFIBNONCSA-N 420.317 5.537 30 40 HKEB C=CCn1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047407 FOFHUKMCDRDNEP-UHFFFAOYSA-N 412.558 6.704 30 40 HKEB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(C#N)cc1 3299253 AKWRIOQPLQOLJG-UHFFFAOYSA-N 410.882 5.369 30 40 HKEB COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2cc3ccccc3o2)c1 4023790 AYYGMWCLPFVXNW-RPBOFIJWSA-N 400.430 5.343 30 40 HKEB biogenic CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC=O 4707995 WJKFCRCNXXVIIT-XMMPIXPASA-N 413.473 5.338 30 40 HKEB S=C(N/N=C/c1cccc(OCc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 5030444 HYKDFLSUZPTTJJ-WGOQTCKBSA-N 419.594 5.032 30 40 HKEB O=C1/C(=C/c2ccncc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 5186517 QHTLDRZPSPOQII-JAIQZWGSSA-N 408.251 5.039 30 40 HKEB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC#N)c2C1 7141130 XOKYDKORXGJSCJ-YHKKIHSWSA-N 416.546 6.126 30 40 HKEB Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1Cl 13146406 IDHQJVDBFZNTBG-UHFFFAOYSA-N 420.925 5.360 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C 13303947 LWGZOOXLTSMQRV-BEIQUOEZSA-N 409.580 5.769 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c2ccccc21 20647028 RGVCCDYOTZZXDO-ZRWQFTNJSA-N 416.521 5.215 30 40 HKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)CO5 26570798 FMUVPGOCTWGNEY-IDMURBRTSA-N 402.619 6.004 30 40 HKEB CSCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 40146408 HYVUYAHGKTXBGM-UHFFFAOYSA-N 404.510 5.403 30 40 HKEB COc1ccc(/N=C(\c2ccccc2)c2c(C)nn(-c3ccccc3)c2O)c(OC)c1 100699716 FFLFJCZBPVXJOS-SHHOIMCASA-N 413.477 5.073 30 40 HKEB CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1 101427595 KEKLIWGPHZPCAK-QGZVFWFLSA-N 410.514 5.032 30 40 HKEB CN(C)c1ccc(/N=C2/C/C(=N\c3ccc(N(C)C)cc3)c3ccccc3C2=O)cc1 104135252 PSDGZRPAKLWCRC-BOQRKYGMSA-N 410.521 5.299 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@H](c2nnc(CC)s2)C1=O 136803032 WWVHKLBISOKRDG-NCNVOFJUSA-N 423.563 5.460 30 40 HKEB N#Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 408538970 SEWNMYTWVVZOJF-UHFFFAOYSA-N 417.100 5.815 30 40 HKEB COc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 408719457 DTAJCOXNHXIQBE-FSJBWODESA-N 407.451 5.426 30 40 HKEB Cc1c(/C=N\c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2n1C 408845180 LKAFSEJCWOEFHJ-IWIPYMOSSA-N 401.491 6.297 30 40 HKEB CCOC(=O)c1c(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)sc(C)c1C 408908428 CKOWMLYNNHXMER-BHGWPJFGSA-N 424.522 5.428 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/Nc3ccc4ccccc4n3)c2)cc1C 409011345 HGWDVMXCXGVCKG-JVWAILMASA-N 424.504 5.315 30 40 HKEB Clc1cccc(COc2ccc(Cl)cc2/C=N/Nc2nc3ccccc3[nH]2)c1 409178960 LIHAUMYJTYDOBR-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 2183010 MQEMXKDVUINDMD-UHFFFAOYSA-N 404.645 6.514 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 3094523 QDTILWFDYUPMOY-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB Cc1ccsc1/C=C(\C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 4423950 CCKUDAZHDOXCHD-XMHGGMMESA-N 403.503 6.408 30 40 HKEB Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=N/c2cccc(Cl)c2)cc1 4784914 DPLGDPCHWLRQRR-ZVHZXABRSA-N 405.910 5.558 30 40 HKEB Cc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)c1 7496094 PERMNJFEANQOML-FQRUVTKNSA-N 405.501 5.760 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)sc1C 9122183 RILWMBSDTHSENF-GOSISDBHSA-N 424.909 5.196 30 40 HKEB C=C1[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 12558718 BIVLRFGJAOMWBY-SZPZYZBQSA-N 404.554 5.661 30 40 HKEB COc1ccc(/C=C/C(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1 17173107 MIEXRHUVPYRIOG-SAPNQHFASA-N 408.457 5.421 30 40 HKEB CCOc1ccccc1/C=N/NC(=S)Nc1cccc2cc3ccccc3nc12 17314419 YJDNWNWCZLRLMI-BUVRLJJBSA-N 400.507 5.107 30 40 HKEB O=C(/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1)c1ccccc1Cl 26770677 WDQAZJGTELYVHS-GHRIWEEISA-N 404.809 5.813 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59435917 YTRHDPQXHJACCP-UDWIEESQSA-N 424.283 5.917 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c(C)c2s1 72228698 ZCMSKONGEQUNKG-YSMPRRRNSA-N 424.570 6.150 30 40 HKEB CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1O 104082412 OCBNPJMBZAFZBT-FLFQWRMESA-N 424.651 6.127 30 40 HKEB CCCCCCCCC(CCCCCCCC)[C@@H]1C[C@H]2CCC[C@@H]2[C@H]2CCC[C@H]12 104145459 JSKCOAYGYKRYTA-ZCCUTQAASA-N 402.751 9.956 30 40 HKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224933505 LWPSHCJUICKTIN-UHFFFAOYSA-N 411.137 5.682 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408775598 JBIAYGXBZMADPO-DHRITJCHSA-N 424.884 5.373 30 40 HKEB COc1cccc2c(C=C3C(=O)CC4(CCCCC4)CC3=O)c(-c3ccccc3)[nH]c12 408842277 JVYIEYZRTRUNQZ-UHFFFAOYSA-N 413.517 6.109 30 40 HKEB Brc1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 408844528 JXISJRDVBOUXHS-XIEYBQDHSA-N 416.322 6.412 30 40 HKEB C=CCOc1ccc(-c2c(-c3ccccc3)cnc(N)c2C#N)cc1Br 408977360 CZSQEKVIPHEARK-UHFFFAOYSA-N 406.283 5.197 30 40 HKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc(C)c1 408979103 LIIWFFRPKHXBKB-UHFFFAOYSA-N 413.521 5.367 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409125042 MFOWYLVKMAMZJI-PXLXIMEGSA-N 405.519 5.468 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1O 409199285 BGENTTQTLSTSLP-CNHKJKLMSA-N 403.501 5.630 30 40 HKEB COc1cccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)c1 1435692 UVVWBFKFUFHQAO-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 3242414 LRRMJTZKDKHIBH-UHFFFAOYSA-N 415.543 6.028 30 40 HKEB Cc1c(C(=O)N/C=N/OCc2ccc(Cl)cc2)sc(C#N)c1-c1ccccc1 5378246 DONVVOKAANQBHL-UHFFFAOYSA-N 409.898 5.139 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 5667477 ILNPXLYHLFIHKB-MFKUBSTISA-N 413.412 5.304 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O 6090493 JKLQWFQCOADJOE-CFRMEGHHSA-N 410.425 5.149 30 40 HKEB biogenic CSc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1 7871328 FJIVHKZWORNFLC-BUUFFXLRSA-N 402.544 6.217 30 40 HKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1cccs1)CCC2 8809598 SVRADZOFRLKSIS-UHFFFAOYSA-N 417.386 6.770 30 40 HKEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1 12895708 LYWCGYGCMQAAIS-UHFFFAOYSA-N 416.477 5.109 30 40 HKEB biogenic C=CCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 27021325 RAUHEPXKXUNWDW-UHFFFAOYSA-N 418.396 5.094 30 40 HKEB Brc1cccc(/N=C/c2cc(Br)c(Br)o2)c1 59104785 BWTZJNXXJPQRPY-GIDUJCDVSA-N 407.887 5.318 30 40 HKEB C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC 59230365 ZTJFINKUHDHOSM-KEJCWXRGSA-N 410.686 7.721 30 40 HKEB endogenous,in-man C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619961 DJJNJBKWQFUOIY-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB O=C1C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)c2ccccc21 408913630 VTGROVJUDJXWNC-UHFFFAOYSA-N 413.476 6.305 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(C(=O)O)cc3)cc1)N2 408933831 BNVBALBHLHNPEJ-AOYSYPELSA-N 408.501 6.270 30 40 HKEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 1077346 GQODKKWWEBSTNK-IQGLISFBSA-N 400.547 6.290 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 2066170 XKEPJVJTJPXZRZ-HSZRJFAPSA-N 424.585 5.090 30 40 HKEB O=C(N[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 2566284 RYDILFMFMIUVNX-LDJIDFKRSA-N 404.513 6.018 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1 3095298 SGSKNKVWRVCWKJ-WYMPLXKRSA-N 402.328 5.862 30 40 HKEB Oc1cccc(-c2cs/c(=N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)c1 4475517 ZWSZVBKSJKTHIH-ZUOQFLAMSA-N 405.910 5.500 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1OCC 4660124 OXDSBZFHJSJVIM-XMFNYGHISA-N 416.930 5.371 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(CC)cc3)N(C)C2=O)cc1OC 4664392 VHHFITIRGFTQRU-NVZLDUMVSA-N 408.523 5.056 30 40 HKEB C=CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 4700145 SNDWFYKQMGKOJM-YVLHZVERSA-N 405.903 5.450 30 40 HKEB CCCc1nc2c(c3[nH]c4ccccc4c13)/C(=N/N(C)c1ccccc1)CC(C)(C)C2 4729122 OWIAHDXBSDHUDR-JJKYIXSRSA-N 410.565 6.482 30 40 HKEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1c(F)cccc1Cl 5190760 GCHDAQVOSYMNLW-HXUWFJFHSA-N 405.300 6.354 30 40 HKEB COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 5540821 AVRLGHHVAPJSTH-RFHOTIDYSA-N 419.908 6.022 30 40 HKEB CC(C)c1cccc2sc(NC(=O)C(=O)[C@H](C#N)c3cccc4ccccc34)nc12 5733795 XWHKGNANWURYLQ-LJQANCHMSA-N 413.502 5.388 30 40 HKEB Cc1ccc(-c2ccc(/C=N\NC(=S)Nc3ccccc3)o2)c(Br)c1 6964487 KVFWZLTULSTWQZ-MTJSOVHGSA-N 414.328 5.338 30 40 HKEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 7496057 YJXKXDKFSJBKOM-MQCHIFCYSA-N 417.512 5.998 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1cccc(C)c1 10233847 OIUCBTRWZBTRRJ-UHFFFAOYSA-N 414.534 5.269 30 40 HKEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12566208 MKUALNOZOWELFM-UHFFFAOYSA-N 418.909 5.281 30 40 HKEB COc1ccc(/N=C(/Nc2ccc(OC)cc2)SCc2cc(OC)ccn2)cc1 17185498 XVXDDBCZDDTLDI-UHFFFAOYSA-N 409.511 5.140 30 40 HKEB Clc1cnc(/N=C/c2ccc(/C=N/c3ncc(Cl)cc3Cl)cc2)c(Cl)c1 18044661 CWAYPYGFKGVCCB-ZPNKGADNSA-N 424.118 6.591 30 40 HKEB COc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 20647096 CISRHRBXVJHIEJ-FMCGGJTJSA-N 409.526 5.131 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 33784072 GMUAHLKPDUUAGK-JYAWBRCSSA-N 417.534 5.093 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3cccc4cccnc34)nc3ccccc23)cc1 46085388 GGZNCHZHLWJFCV-JFLMPSFJSA-N 409.880 5.944 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102881824 GOMHZTZHYBGVKG-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CCOC(=O)c1ccc(N/C(=C/C(=O)c2ccc(Br)cc2)CC)cc1 103764852 KVLCYFLIRVDDAX-GHRIWEEISA-N 402.288 5.215 30 40 HKEB O=C1C2=C(c3ccccc31)[C@@H]1c3ccccc3C(=O)[C@]1(c1ccccc1)c1ccccc12 104086228 OCZDUWQNWOTEFF-BHBYDHKZSA-N 410.472 6.074 30 40 HKEB C(=N\Nc1ccccc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408733515 YVHZMACTKKJSSM-SWKFRHMKSA-N 413.524 7.257 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 408753873 RFMBGPITSGAIIW-KGENOOAVSA-N 420.921 5.811 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408944736 UVXWPCWZPSDNBZ-OLNVZDEISA-N 406.529 6.829 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 409211796 NBWUXJXWHOKFQJ-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 3043370 ONYQOBOUKNHWRM-WYMPLXKRSA-N 405.479 6.034 30 40 HKEB CCC(C)(CC)[C@](O)(C#CC[N+]1(Cc2ccccc2)CCCCC1)c1ccccc1 4808328 RAXYPPAEMQSYTD-NDEPHWFRSA-N 404.618 5.905 30 40 HKEB COc1cccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C[C@H]2CCCO2)c1 4886100 RAEDWKNAWFUQJW-JOWZZTKRSA-N 419.550 5.326 30 40 HKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1 5376712 DMVAEUMHCMXUIZ-RVDMUPIBSA-N 405.317 5.276 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 5850893 ONDNHUDKGCKZPU-QFIPXVFZSA-N 400.503 5.155 30 40 HKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 8372000 MZLNDWCWHRGDSL-DHRITJCHSA-N 400.356 6.465 30 40 HKEB CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 8424580 SRVNFXNQFCBDKD-UHFFFAOYSA-N 409.592 5.855 30 40 HKEB N#Cc1c(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)sc2c1CCC2 12655236 VVTXHDSVDMJHLV-PHBHNISSSA-N 402.563 5.585 30 40 HKEB COc1cccc(N2C(SC)=N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 13775293 RSEJIHFGVQZALN-OQICMLARSA-N 423.582 5.601 30 40 HKEB COc1cccc(CO/N=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c1 22873177 RVQVNEXAUDDWNS-LUOAPIJWSA-N 420.818 5.980 30 40 HKEB Cc1ccc(NC[C@@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 26895941 BYYNWSZUIODBGI-LJQANCHMSA-N 421.338 6.056 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 33376650 NLCLMZIJCNNRQD-ATVHPVEESA-N 420.530 5.782 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1Sc1ccccn1 100474820 STQYKYAQGSGIKR-SSDVNMTOSA-N 404.278 6.198 30 40 HKEB CCCCCCCCCSc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 104213348 QEAULBJDKRPYHH-VAWYXSNFSA-N 406.573 5.718 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccnc1 408784755 UQWSVUBKLUHVGN-ODLFYWEKSA-N 408.914 5.034 30 40 HKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408853723 RBKFVITVIDAKKQ-QFEZKATASA-N 408.523 5.299 30 40 HKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1F 408931273 JIWOFCPYUFWLJH-WPWMEQJKSA-N 420.484 5.001 30 40 HKEB CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 409116532 MENZCZXPHCQRKP-IWIPYMOSSA-N 420.490 5.982 30 40 HKEB COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1O 409381594 HGKPPHBRESSESO-BHGWPJFGSA-N 408.797 5.789 30 40 HKEB C=CCN(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)CCc1ccccc1 2296819 KQFNCGWMLBAQJB-NEKDWFFYSA-N 415.577 5.808 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 2305909 QPDCHNDWUZZKKP-QGZVFWFLSA-N 412.580 5.131 30 40 HKEB Cc1cc(C)cc(O[C@H](/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 4934694 KLUSZYSLMARHPA-GFIJVFARSA-N 400.435 5.011 30 40 HKEB Cc1c(/C=N/Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 6588741 HPYJOVFJISYXKG-VULFUBBASA-N 405.860 5.717 30 40 HKEB C/C(=N\n1c(-c2ccc(Cl)cc2)cs/c1=N\C(C)C)c1ccc2c(c1)OCO2 6995416 UQODEXPDTJYZHZ-GLQBIYHJSA-N 413.930 5.180 30 40 HKEB Cc1nc(-c2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)s2)cs1 9512617 FXIJXGRBCWNPBI-UHFFFAOYSA-N 415.543 5.649 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cc4ccccc4)ccc3O)ccc2o1 13897295 KPSCVVDKJLGBDL-RDRPBHBLSA-N 418.496 6.850 30 40 HKEB C/C(CC(c1ccccc1)c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16970931 WJIUVAHUCTVXJU-XQNSMLJCSA-N 404.426 5.513 30 40 HKEB CC(C)(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35673425 DTXGCOPMQCWVPA-JOCHJYFZSA-N 415.541 5.155 30 40 HKEB CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC 95703978 QOQNJVLFFRMJTQ-UHFFFAOYSA-N 418.643 9.345 30 40 HKEB in-vitro CCCCCCCNCc1cc(Br)cc(Br)c1OCC 102566601 XPDWBIFJWUNPCF-UHFFFAOYSA-N 407.190 5.670 30 40 HKEB COc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103748331 BAKDZJMEZAEKMM-LPYMAVHISA-N 407.382 5.363 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408654755 GPCHSBBHLHIIMJ-UUILKARUSA-N 420.377 5.200 30 40 HKEB CCOc1cc(C)c(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1C(C)C 408849965 BUPACSWEZFVFRF-BTRCZGFISA-N 408.567 6.059 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409329673 GWHHFZXAEOSNGA-YVLHZVERSA-N 422.358 5.964 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409387201 OJLOEIAQDCJOCV-VULFUBBASA-N 410.876 5.810 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 1531385280 CWQHVMNFRQKCML-OGLMXYFKSA-N 416.440 5.077 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 4025712 SNOJHUGTPWMMOU-OBTVHEKISA-N 408.501 5.196 30 40 HKEB biogenic Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 4150985 JLXYVCYEFVJUGG-BTYSJIOQSA-N 422.572 7.098 30 40 HKEB COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1OCc1ccccc1 4921133 BVJMXQUREXPHSU-VFCFBJKWSA-N 408.501 6.446 30 40 HKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 4944849 WKYNKYCDGYCPMA-SFHVURJKSA-N 419.521 5.176 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Oc2ccccc2)cc1 5604118 BBFCRUBDNMIUHP-XSFVSMFZSA-N 406.894 6.024 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc(Cl)cc1 8821141 NJXFZKZSRIHGEM-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)N=C2O)cc1 18206855 JBBFCNOHQWBMEK-SFQUDFHCSA-N 415.312 5.746 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@H]1CC=C(C)C1(C)C 18250031 UNOQSTZPCVOPNP-GCJKJVERSA-N 420.597 6.249 30 40 HKEB biogenic CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)c2ccccc21 28182532 OEINLENMCRFSAI-YSMPRRRNSA-N 423.512 6.473 30 40 HKEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1Cl 32984139 WWKJBBCDKFYKBM-UHFFFAOYSA-N 409.894 5.298 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Cl)c(O)c1 85413352 DBPRBYHZBKIWBO-XMMPIXPASA-N 403.909 6.508 30 40 HKEB C/C(=C/C(=O)C(F)(F)F)Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 100094617 BGFFNCVUKJKZNV-UITAMQMPSA-N 424.728 5.993 30 40 HKEB CCCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)CC(C)(C)CC1=O 100140360 ADUMWIHFAYEPAZ-UHFFFAOYSA-N 415.574 5.019 30 40 HKEB CCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 100165711 JRGQNMAQZNTSHU-JZJYNLBNSA-N 400.518 7.002 30 40 HKEB C[C@H](O[C@H]1CCCCO1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118929498 IOBZAMAGLIOWSA-MZZVBWTQSA-N 400.603 6.066 30 40 HKEB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 257345232 KPMMIZLQECJQJE-AVPOYGTKSA-N 407.554 6.590 30 40 HKEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)cc2)o1)CCCC3 408719521 RPBHCIYPQLPYKI-WYMPLXKRSA-N 423.925 5.441 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 408909139 GDOAUZVTIXHVQI-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 408913690 NIOLEVHZJYMHCG-NNSJDREZSA-N 409.511 5.472 30 40 HKEB CCCCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 408915591 QDJDNBUXJFKGKC-OBUXZSPNSA-N 400.547 6.552 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(OCc2ccccc2F)c1 408959966 BDVLJPUBYNPEDZ-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)o1 408965243 UWVITABIFMJREC-YBFXNURJSA-N 423.425 5.194 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2)cc1 409245319 QUTRULFJPOPPFK-STZFKDTASA-N 420.534 6.177 30 40 HKEB CCn1c2ccccc2c2cc(-n3c(N)c(C#N)c4nc5ccccc5nc43)ccc21 2280010 WJGRESYFCKXSEW-UHFFFAOYSA-N 402.461 5.155 30 40 HKEB O=C(O/N=C/c1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc(Cl)cc1 2576745 WZLQERPUFVACNE-LPYMAVHISA-N 418.902 5.864 30 40 HKEB COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 3150192 MYMYYOYJYQTWPS-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4783467 SDJLSMWANITDPE-OLZFZNDLSA-N 419.093 8.163 30 40 HKEB COc1cc(OC)c(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(OC)c1 4865312 DNJLTODRFPEBBQ-CYVLTUHYSA-N 414.461 5.012 30 40 HKEB Cc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1 5657523 BNJHZAVKXYRBOD-FOKLQQMPSA-N 402.281 5.545 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccccc1Cl 8993072 HVVCWHCZBHNLSG-UHFFFAOYSA-N 404.844 6.585 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3cccc(Cl)c3)cs2)cc1 12907185 WYYLSYJJVUOALL-IZZDOVSWSA-N 412.898 5.386 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=S)Nc2cccc(C)c2)c1O 18101095 KFENKUVOVKNVQH-HRRUJZEASA-N 419.510 5.445 30 40 HKEB C=CCc1ccccc1OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OC 28540252 IBRIJBOSSLYBOM-UHFFFAOYSA-N 413.520 5.009 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 34805999 CXJQJYIJHWEYQN-UGVCYYKNSA-N 418.949 6.705 30 40 HKEB CCCCCCCCOc1ccc(/C=N/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100855548 YNVONKQEARSDBH-ONNMZWHZSA-N 421.581 6.900 30 40 HKEB CC[N+](CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103630371 YQXSPXHYIOHMOY-UHFFFAOYSA-N 416.270 5.305 30 40 HKEB Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)cc1C 215721617 KPEANTPASGYNEL-HSOLMKNUSA-N 423.969 6.222 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 219805744 NXBBELVDTMZVPV-UHFFFAOYSA-N 401.553 5.334 30 40 HKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccccc2)cc1 408722033 CFQPJZWLSHRLNJ-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB CCCCCCCCNC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408723176 ZWRNBXSTAAUHOL-NLFFAJNJSA-N 412.574 5.093 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 408756926 VIYWMGFCSLNWFF-OVVQPSECSA-N 402.538 6.364 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl 408796281 ABAQRSCWVGSBDH-LNIIIOKPSA-N 422.912 5.355 30 40 HKEB Cc1c(Br)c(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 408853293 QSWLHPDOCFLFEZ-KSEXSDGBSA-N 422.153 6.914 30 40 HKEB O=C(COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1)Nc1ccccc1 408931985 AMJSCTLQPVZVCE-WGARJPEWSA-N 413.399 5.169 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)c1 408968104 UGGIQOVKPNGRJA-CICSQNLLSA-N 402.538 6.535 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F 409165382 XKZDTPAKAGESLX-SVLFYUKMSA-N 418.509 6.131 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409199780 DVCONEIVPCKCAO-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(C)cc1 938157 XXCXCJPQTRIIAQ-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1ccc(/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1C 1421508 WUXFRUVZNVUVRF-SRZZPIQSSA-N 409.492 6.316 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 2215211 JJUXJXOLZZCAFV-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB C#CCOc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 2373423 DDUHRWHUDGTKAP-UHFFFAOYSA-N 419.406 6.071 30 40 HKEB Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\Cc1ccco1)S3 4969525 YZDOOIWBRQRNOS-OCEACIFDSA-N 419.594 6.487 30 40 HKEB Cc1ccc(-c2nc(SCc3ccccc3)nc(NCc3ccccc3)c2C#N)cc1 12955189 VZKDOYOKLVCJIV-UHFFFAOYSA-N 422.557 6.228 30 40 HKEB Cc1ccc(C)c(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccccc2)c1 13081306 MDVCNMIUAATELP-UHFFFAOYSA-O 401.964 5.357 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@@H]2c1ccco1 15826302 FQDIYEBDWUEAJP-RUZDIDTESA-N 416.496 6.235 30 40 HKEB O=C(O)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 15932150 JAULBKNWXFXQCL-BRNMAAFJSA-N 406.507 5.322 30 40 HKEB Cc1ccccc1NC[C@H](C#N)c1cc(Br)ccc1OCc1ccccc1 26895933 UQYBHSJGOQIQEX-IBGZPJMESA-N 421.338 6.056 30 40 HKEB COc1cc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC 49551949 SIJGRJACVSNQOW-AQTBWJFISA-N 414.461 5.012 30 40 HKEB CN(/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118927467 FJXSGEDXKWIWEK-NKWWSSKJSA-N 407.598 5.589 30 40 HKEB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497826 ISQVBKWANUTMNE-RACHXHOOSA-N 408.582 5.661 30 40 HKEB biogenic CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 408908527 AGMHPCSSSIBALZ-OBUXZSPNSA-N 420.578 6.330 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408966817 QSMSWUVOOGQDNV-HYARGMPZSA-N 418.493 5.605 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccccc1 408973199 KBWZQAJBTAEVQK-CVKSISIWSA-N 402.519 5.837 30 40 HKEB Cc1cccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409073545 VUOMLIGNMLPDJM-WYMPLXKRSA-N 402.376 5.467 30 40 HKEB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C)c(C)c1 409150880 FIVUICDOFXICRI-HRRUJZEASA-N 417.578 6.463 30 40 HKEB O=[N+]([O-])c1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409202465 QWYFFMHBAFSRHI-IMRQLAEWSA-N 424.456 6.717 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccccc2)cc1OCC 409208213 ALWAFBOTBRSKMX-DEDYPNTBSA-N 407.251 5.005 30 40 HKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccc(OC)c1 2446019 NMQXNQTWXCLPAX-UHFFFAOYSA-N 415.518 5.268 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1 4311957 DUJWEXPTWKQUEI-OAQYLSRUSA-N 418.518 5.358 30 40 HKEB N#Cc1c(/N=C/c2ccc(O)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 4838465 GAFTZCTZIBKEOR-CVKSISIWSA-N 409.401 5.850 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 6475038 KVRURICHFJRLLN-LFVRLGFBSA-N 424.928 6.520 30 40 HKEB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 7166456 XGVQFALYTPDAIQ-UHFFFAOYSA-N 407.564 5.420 30 40 HKEB Fc1ccc(-c2nnc(CO/N=C/c3cccc(OCc4ccccc4)c3)o2)cc1 8344266 BBKFBJFDFWZSHT-AFUMVMLFSA-N 403.413 5.005 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1C 8821082 ADCIXQQEMOCINU-UDWIEESQSA-N 419.462 5.363 30 40 HKEB N#Cc1c(NC(=O)CSc2ccccn2)oc(-c2ccccc2)c1-c1ccccc1 12488053 LAHJKQTXYMVQBC-UHFFFAOYSA-N 411.486 5.611 30 40 HKEB aggregator C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C[C@@H]12 12661338 KBWQXZRWBYAKNJ-KDEREMIZSA-N 411.586 5.285 30 40 HKEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15107107 VXBRJYCESMOVCD-QGZVFWFLSA-N 405.475 5.152 30 40 HKEB O=C(c1cc(=O)[nH]c2ccccc12)N1/C(=N/c2ccccc2)SCc2ccccc21 18102133 RSYQGBNJSAXWNM-IZHYLOQSSA-N 411.486 5.109 30 40 HKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)c1 59426774 GFNNTYHMQXDBEG-HYARGMPZSA-N 401.535 5.603 30 40 HKEB CCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(N2CCCCC2)cc1 408929250 SPSWSGCXCQGPQR-YFGQCYJXSA-N 422.598 5.256 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1C 409095438 CNPSHBLVYNIBPD-NSKAYECMSA-N 422.838 5.616 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 409186678 GJFBIJDMIWBOGS-TURZUDJPSA-N 409.533 6.987 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1C 409200098 GSRMNGPDUNBSCJ-ZCTHSVRISA-N 415.536 7.939 30 40 HKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1C 409208305 CAVQOPICGOFNMB-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409212822 QVFAWHCOVZTDHZ-TURZUDJPSA-N 409.485 6.817 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409218048 SIJSTPPUEDQCMY-VULFUBBASA-N 422.912 5.734 30 40 HKEB COc1ccc(C(F)(F)F)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242611 AAMBKYVPXMIBMB-UHFFFAOYSA-N 422.165 5.365 30 40 HKEB CCCCCOc1ccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 2630051 UJROSEGHESWEGC-JJIBRWJFSA-N 421.537 5.293 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C\c4ccc(OC)c(Cl)c4)ccc3O)nc2c1 3087098 BBIGZZNKVGMWQB-MXAYSNPKSA-N 406.869 6.175 30 40 HKEB CC(C)(C)c1ccc(C(=O)/N=C2\N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1 3177552 GIJSKBAPJXECNZ-QYQHSDTDSA-N 403.913 5.435 30 40 HKEB CC(C)(C)c1ccc(O)c(/N=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)c1 4713979 YVVSOYHUIREDHJ-VEVCQMGESA-N 407.901 7.215 30 40 HKEB Cc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)/C(=N\Cc1ccccc1)S3 4853913 CIGHDFLRDAFNAS-CYYJNZCTSA-N 409.558 6.207 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1c[nH]c2ccccc12 8969333 SVRVDHVZFLLKCN-APSNUPSMSA-N 421.831 5.732 30 40 HKEB C=CCn1c(SCc2ccccc2C#N)nc2scc(-c3cccs3)c2c1=O 13059277 FJNMKKAUNQBNGP-UHFFFAOYSA-N 421.572 5.536 30 40 HKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1 14083644 FBEMBZYNAJTSLE-UHFFFAOYSA-N 401.919 5.094 30 40 HKEB C/C(=N\N=C(/C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 16952095 FAAPJZADHKZZOQ-DPCVLPDWSA-N 424.456 5.684 30 40 HKEB COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N 19820618 DAPFHIOFFJYKDL-UHFFFAOYSA-N 417.321 5.796 30 40 HKEB COc1ccc(/C=N/c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1OC 32616770 RQTVZLDSUOOXDJ-CVKSISIWSA-N 402.881 6.323 30 40 HKEB Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(C)cc(Cl)c(C)c3C1=O)C2=O 33650052 WNQYKPVIXDBBAO-VXPUYCOJSA-N 421.370 6.716 30 40 HKEB S=C(N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1 33854957 USIJFGMDDKBLAB-MESHQIMYSA-N 420.152 5.132 30 40 HKEB C=CCOc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1 59475149 CCBZDPYLGUPFSH-CIAFOILYSA-N 414.328 5.583 30 40 HKEB CCCCCCCCCCOCn1c(=N)n(Cc2ccc(C)cc2)c2ccccc21 102975297 PEDKHJGDDPMZHC-UHFFFAOYSA-N 407.602 6.394 30 40 HKEB Cc1ccsc1/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O 408762253 JSVDKNQCUMWAJS-ZSOIEALJSA-N 407.358 5.327 30 40 HKEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408966668 MXCHDCOCTKFRLI-PCLIKHOPSA-N 423.582 5.012 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccccc2)c2ccccc12 408977968 GKRZYKUDAPGBSX-UHFFFAOYSA-N 400.485 5.872 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3c(CC)cccc23)C1=O 409129267 RLGDYIHOTJJXJZ-BKUYFWCQSA-N 420.509 5.613 30 40 HKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)c1 409212365 QLLFCHUFXFBBNT-STBIYBPSSA-N 422.528 6.533 30 40 HKEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409385924 MLRDQXJGAIFKMJ-MYKKPKGFSA-N 422.506 5.212 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn23)ccc1Cl 704835 XUZYWUPRAIMXMS-ZVBGSRNCSA-N 401.209 5.560 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O 880624 LKLXTGWELBTSDK-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 4740329 VROFIPDBTRJPLS-YLLWSWKHSA-N 401.337 6.309 30 40 HKEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)COc2cccc3ccccc23)cc1 7781663 NZTDTCJGEYJBPU-IZHYLOQSSA-N 418.518 5.074 30 40 HKEB C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 8432404 VBDGSQVNYCWEGE-HNNXBMFYSA-N 424.591 5.134 30 40 HKEB Cc1ccc(C(=O)C/C(=N/Nc2nc(-c3cccc(O)c3)cs2)C(F)(F)F)cc1 8750633 JZVUMVAYEZMKPV-BWAHOGKJSA-N 419.428 5.427 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(C)c1 13080560 HHFUNTOAGFEKCD-BEIQUOEZSA-N 423.563 5.164 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc1 13646076 PVCOVDZULUDBHH-YVLHZVERSA-N 405.306 5.450 30 40 HKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 15938272 JWRKRPFCABLNRW-RVDMUPIBSA-N 409.121 5.800 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 16429687 AWJABDIMKBPWCI-YSURURNPSA-N 401.224 6.397 30 40 HKEB Cc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 32984248 AOGUAZAPBZFKRC-UHFFFAOYSA-N 403.503 5.262 30 40 HKEB N#C[C@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@@H]21 34889421 BCCSYYNPYNJQAW-ZJSXRUAMSA-N 401.897 5.196 30 40 HKEB O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1 68602862 OLZPXPOGHKUMDZ-POAOKBCDSA-N 420.468 5.830 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CC[C@H](C)C2 101892684 NCZUAVTYTIFJAP-KIQCMGJBSA-N 408.523 5.786 30 40 HKEB O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1ccccc1O)c1ccccc1 104116030 AMDDEZSSUXJEKF-UUYOSTAYSA-N 421.305 5.250 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1Cl 197754009 FLUNCYADCCYJBE-JFLMPSFJSA-N 422.956 6.582 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409070561 ZORQOVHUOHWCLP-NDENLUEZSA-N 424.283 5.917 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccccc1Cl 409111507 JAWNQLOFVAQABF-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(F)cc1 409118369 PKKLNFOTNGTPCR-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br 409208251 BKPIURKYKMUBFV-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409209925 JUAQXWYOBOEQTN-LGJNPRDNSA-N 418.751 7.539 30 40 HKEB CC[C@H](C)Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409282918 PNKLQGZSVADIHR-SFHVURJKSA-N 403.526 5.504 30 40 HKEB CCCn1c(C)cc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1C 585293893 BOZGLPFFBPAYJF-NRFANRHFSA-N 420.586 5.319 30 40 HKEB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 1889148826 CNJPGFFQFAETRQ-DSMJHQMSSA-N 410.985 6.226 30 40 HKEB COc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3o2)cc1 1433897 WMHFEPSWXOVBRW-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)sc2c1 1951342 MPHGCPOMXWMFKB-YDZHTSKRSA-N 407.336 6.785 30 40 HKEB CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 2062740 YPAYCEXWXRVKKV-UHFFFAOYSA-N 421.537 6.093 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc2c1 3032374 LWAIQAVVGALXJM-WYMPLXKRSA-N 421.840 6.075 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 3042658 UOYITAULZNBXEB-YSURURNPSA-N 417.679 6.911 30 40 HKEB CCCCC#C[C@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1 3049344 GHMBABAJTLMUJP-FQEVSTJZSA-N 410.970 6.119 30 40 HKEB O=C(C[n+]1cccc(-c2nc(-c3ccc4ccccc4c3)cs2)c1)c1cccs1 3249309 RRBQGQVGSKMXQE-UHFFFAOYSA-N 413.547 5.862 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1O 5248814 UUHBYTVILNQMMK-ZVHZXABRSA-N 401.491 5.637 30 40 HKEB C/C(=N\NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1 5601994 UYPBUYCFNLBKIE-NCELDCMTSA-N 400.418 6.306 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccccc3)o2)CCCC/C1=C\c1ccc(-c2ccccc2)o1 6196220 KTOSWUNOTSYLBY-BLVCXSLXSA-N 420.508 7.817 30 40 HKEB O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 6625605 FSZTYLGLXMMISG-ONNFQVAWSA-N 405.837 5.217 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 8371791 QCDUIHJBNNUURP-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F 8801752 AVHKYPAXEWRMIX-ZMOGYAJESA-N 421.453 5.109 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1Cl)c1ccccc1 9110474 ZHSJFNPHXFKNQP-FQEVSTJZSA-N 424.283 5.776 30 40 HKEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc(Cl)cc1 9186807 TUEWRELHHZQGAF-DHRITJCHSA-N 419.872 5.401 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 102569529 NXMOXMNEZFBRCY-MOBKVPTQSA-N 407.510 5.006 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 118917030 KPMMIZLQECJQJE-HGPOAJNESA-N 407.554 6.590 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc4c(cc3Cl)OCO4)c2C#N)C1 409079681 KXZKWENODSDDDF-OKYTWDAHSA-N 400.931 5.903 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 409199738 DBUWIFZPVABZJO-CIAFOILYSA-N 421.132 5.537 30 40 HKEB CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)CC1 409274048 UJSSEUWEBQMVFF-AEIQVQRHSA-N 409.599 6.351 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C4/C(=O)N5CCCc6cccc4c65)cc3)sc2c1 2200808 NTTRFHJLYOSVSY-XTCLZLMSSA-N 409.514 5.685 30 40 HKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1c[nH]c2ccccc12 12565868 ICTGLGXAGWZRDC-FESMVLMOSA-N 408.530 5.778 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 12652351 KRIJJJPVKTUTFZ-SRFJDDQZSA-N 407.598 5.255 30 40 HKEB biogenic O=[N+]([O-])c1cc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)ccc1Cl 14922925 ZXPVGRIBYXWTSM-PCLIKHOPSA-N 417.852 6.680 30 40 HKEB COc1cc2c(c(OC)c1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 18196394 YVBWQEAYSRGUGZ-SFHVURJKSA-N 404.293 5.575 30 40 HKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(N4CCCC4)cc3)nc2cc1C 35288741 JFMFAMMZTXVGII-UHFFFAOYSA-N 416.550 5.054 30 40 HKEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(-c3ccccc3)cc(Br)c1O2 40545942 JWVGJEVPCKBOBW-OAQYLSRUSA-N 412.283 5.414 30 40 HKEB COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59679411 DDKGEUFLNJSUBB-BRJLIKDPSA-N 413.832 5.516 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1 97966738 LEWZTYILICXSRW-NKFKGCMQSA-N 422.594 6.626 30 40 HKEB CCCCCC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C\c1ccccc1 104103366 RTJMMSODBQUTEU-HNTFAUOOSA-N 409.643 6.069 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1c(O)ccc2ccccc12 104373383 QSAZDOCZTSTXPY-XHPQRKPJSA-N 413.631 6.264 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cccc(OC)c1OC 104380362 VPGOFBXKYLEISN-MOHJPFBDSA-N 407.624 5.423 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409210349 JSWFXBOQPRRGJP-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(F)c(Br)c3)c2C#N)C1 409211879 ONXKQUAHZVPQKC-ADUFUACUSA-N 419.363 6.423 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409380056 GLRVYKHPYNNOLE-CVKSISIWSA-N 415.493 5.030 30 40 HKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 796057 RDWFZGQVEBTKGS-QGZVFWFLSA-N 422.487 5.042 30 40 HKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1 1922568 VNJLUJMOYWEPSU-ZVHZXABRSA-N 420.310 6.074 30 40 HKEB O=C1C=CC2=N[C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 2106027 SNOJHUGTPWMMOU-AZSVPQILSA-N 408.501 5.196 30 40 HKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2217919 VYLHLEQNTRHRRN-UHFFFAOYSA-N 417.557 5.770 30 40 HKEB C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 2270610 SKCJEPVLMAHESR-INIZCTEOSA-N 418.672 6.323 30 40 HKEB CCCCCCCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 2374518 VXWKLUXKNAGAAB-UHFFFAOYSA-N 410.562 5.730 30 40 HKEB CCCCCCCCOc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1 3102903 REWNMFBBZDBBLF-UHFFFAOYSA-N 405.538 7.247 30 40 HKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2c([nH]c3ccccc32)c1=O 4362969 QOXQPWIXNILIDQ-UHFFFAOYSA-N 415.440 5.375 30 40 HKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 4514781 DOHRNVFHVZWEMB-MTJSOVHGSA-N 406.821 5.184 30 40 HKEB O[C@]1(c2ccccc2)C/C(=N/c2ccc(SC(F)F)cc2)C=C1c1ccccc1 5523888 UWAVZKOVBNABGU-QNJFXAKOSA-N 407.485 6.449 30 40 HKEB CCCc1nnc(S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 6075964 FKXXNHOHQZYMIT-BUVRLJJBSA-N 402.523 5.134 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(C(F)(F)F)cc3)C2=C(O)C1 6855830 UZERMYMUKNELDO-IBGZPJMESA-N 417.471 6.519 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1cccc(C(F)(F)F)c1 8733536 JIUPYXMMZVQDPZ-UHFFFAOYSA-N 424.369 6.809 30 40 HKEB N#Cc1ccccc1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9198736 YCJICANDTQEYGW-UHFFFAOYSA-N 422.560 5.469 30 40 HKEB C=CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nc2ccccc21 9864428 NNZWIZAFLORHHZ-OAHLLOKOSA-N 422.579 5.144 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 12655589 SNOJHUGTPWMMOU-KHVXQDHOSA-N 408.501 5.196 30 40 HKEB biogenic C[C@]12CC[C@H](O[C@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 13423845 CZNBRGKOCBBHEM-CFKJIUMDSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1ncnc1N2 18196292 RHXYBJSTRBUQKK-MLCYQJTMSA-N 417.321 5.062 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 26891883 JWUBBDSIWDLEOM-VWCLOQSNSA-N 400.647 6.734 30 40 HKEB biogenic,in-vitro C=CCn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1C1CC1 30922608 LXIZRKDQVGDLJV-UHFFFAOYSA-N 402.976 5.335 30 40 HKEB CC[C@H]1CS/C(=N\CCc2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl 102887175 FBZCYYWMUUGVCJ-YQMDHOPXSA-N 423.409 5.928 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1 223668460 YCBCQUSIOBGAKR-UHFFFAOYSA-N 401.322 5.120 30 40 HKEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 226334278 UXQWISCGMPBXQE-XBXARRHUSA-N 423.665 5.010 30 40 HKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1C1CCCCC1 408914945 SDWAKYWBZIXPJG-NDZAJKAJSA-N 414.637 7.829 30 40 HKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 408918764 OSTHGTVNXLKMKU-LGJNPRDNSA-N 408.885 6.150 30 40 HKEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccccc2)cc1 409055512 JAQYUYNVBGOILF-PCLIKHOPSA-N 414.490 6.221 30 40 HKEB CC(C)/N=C1\S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1C(C)C 409213495 PFMQLKSHDGEJNJ-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)oc(-c2ccco2)c1-c1ccco1 409378703 QOIPLJMMLCYJRE-FOKLQQMPSA-N 407.769 5.983 30 40 HKEB CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3196754 CQUZGPSCMKGNII-UHFFFAOYSA-N 407.510 5.785 30 40 HKEB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1OC 4663850 ZDBLJFJODBKPSQ-FQEVSTJZSA-N 409.526 5.517 30 40 HKEB CN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3ccc(N(C)C)cc3)cc2)cc1 5549586 SEIJJKISAJYNJX-LQGKIZFRSA-N 424.544 5.611 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC/C=C/c3ccccc3)ccc21 9420757 BTEIVTDUGLQRIP-BUQBTZPGSA-N 406.840 6.188 30 40 HKEB C=CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc(-c2ccccc2)cs1 12825249 DHFSRVYAROFFGX-UHFFFAOYSA-N 407.520 5.288 30 40 HKEB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 13174238 QSQHAMSBLJELNE-NRFANRHFSA-N 409.526 5.517 30 40 HKEB COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1 13176677 IQIMBLAOLLAALP-OAQYLSRUSA-N 409.526 5.517 30 40 HKEB CCC(C)(C)[C@@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 13574000 AOVXKKQYPIUNSJ-QGZVFWFLSA-N 409.511 5.366 30 40 HKEB CCOc1ccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C23CCCCC3)cc1 13739312 PFEICEKWVUICNN-UHFFFAOYSA-N 407.583 5.830 30 40 HKEB N#Cc1c(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cn2ccccc12 14852318 DKUZRGOESQQMKO-XDHOZWIPSA-N 402.450 5.296 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1c(Cl)cccc1Cl 16578015 KZHHIYRHKMOZSC-DEOSSOPVSA-N 422.355 7.347 30 40 HKEB Cc1cc(O)c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20648049 VOWIXBRNOIXGEC-NXUSMQHESA-N 403.478 5.437 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C[C@H]12 100745265 FFBZDXFXMPXMPT-KSEPJOFSSA-N 411.630 5.351 30 40 HKEB CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Br)cc2)cc1 101662496 MNLLAISSGLSIKW-RGEXLXHISA-N 414.299 5.363 30 40 HKEB Cc1cc(Br)ccc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1 226362604 OXALDQJUWGNBGS-UHFFFAOYSA-N 405.251 5.532 30 40 HKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1C 408774745 QNAOTNWQYABYLI-YWROOUKNSA-N 401.535 5.446 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1cc(C)ccc1C 408913338 SWXJXZHRVXXVSZ-CRUFNBOHSA-N 400.931 5.589 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408939631 NDIXPJAWPROJAV-SBRNOXJPSA-N 418.540 6.584 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 409200092 GNENGIMFTOSMQX-WGOQTCKBSA-N 419.477 5.512 30 40 HKEB O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)Sc2ccccc21 409311466 GNPNZEBTHSIZLE-JAIQZWGSSA-N 420.402 5.625 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1C 409330350 KXCMTLCMWLOQHN-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB O=C1C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)c2ccccc21 409392679 RGISTIJDOUJEAZ-UHFFFAOYSA-N 409.268 6.035 30 40 HKEB O=C1C(=C/C=c2\c3cccc4cccc(c43)n2Cc2ccccc2)C(=O)c2ccccc21 685944753 VCTIPBBAJDWJMS-KOEQRZSOSA-N 413.476 5.348 30 40 HKEB CCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(OC)cc2)c1C#N 1513252 VXNNJAFYAMTHIY-UHFFFAOYSA-N 403.507 5.302 30 40 HKEB Cc1sc2c(c1C)C(=O)NC1=C(C(=O)c3ccccc3Cl)c3ccccc3CN12 1751987 WRDWCOCORSXXOM-UHFFFAOYSA-N 420.921 5.333 30 40 HKEB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 4179087 AKTMAMNFRRATQY-OVQGTLEDSA-N 420.534 5.180 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 4812184 XPMXIDBUOPTCLQ-VWLOTQADSA-N 417.553 5.306 30 40 HKEB COc1cc(/C=N/Nc2ccc(F)cc2F)ccc1OCc1ccc(Cl)cc1 5416735 FMWMNTGBPZIPOC-BRJLIKDPSA-N 402.828 5.652 30 40 HKEB S=C(/N=C(/NC=C(Cl)Cl)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 12561095 MVLWPYWSNMOBQP-UHFFFAOYSA-N 419.164 6.003 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)NC1CCCCC1 16268097 WKMDLAIVAVCXSJ-IBGZPJMESA-N 416.352 6.412 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3ccc4ncccc4c3)nc3ccccc23)cc1 46085393 JKDXDDJTFLFNMH-JFLMPSFJSA-N 409.880 5.944 30 40 HKEB C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 65453309 MQEYBVPXKPFTEU-INIZCTEOSA-N 402.523 5.396 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(C#Cc3ccccc3)=CC[C@H]12 253617145 AHMJMFJZNJAALU-MVFJSGDWSA-N 402.578 6.159 30 40 HKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 408755345 UFKHKFCHGWEBTP-FOKLQQMPSA-N 422.153 6.914 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408930822 CNISFIWZZNDZJV-JVWAILMASA-N 414.427 6.204 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3c(CC)cccc23)C1=O 409132936 PJLUEWVPZHRNAV-BKUYFWCQSA-N 418.493 5.061 30 40 HKEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c(C)c1 409229349 NTLHXYQQJKSXKM-FSJBWODESA-N 412.283 5.863 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O)C[C@H]1O 669678883 LWQQLNNNIPYSNX-GGJPODTCSA-N 412.614 5.091 30 40 HKEB COc1ccc([C@@H]2Nc3c(ccc4ncccc34)C3=C2C(=O)CC(C)(C)C3)cc1OC 1440572 XGIMTIPFSXYBTN-DEOSSOPVSA-N 414.505 5.562 30 40 HKEB COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O[C@H](C)c1ccccc1 4083369 SJFFCPZPOBBIKG-MXJLDLDKSA-N 405.523 5.156 30 40 HKEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc(Br)c1O 4920099 DTTIUPYFGOBOGK-OEAKJJBVSA-N 411.299 5.204 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 8811681 VERVTBUHPWCLFT-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Cl)c2)cs1)c1c(C)cccc1C 12980723 MQYZMTOUKUKRJK-ZHACJKMWSA-N 410.926 5.994 30 40 HKEB Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 14361423 PBJWWVAIWIKWCX-UUILKARUSA-N 420.446 5.859 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cccc([N+](=O)[O-])c4O)cc3)nc2c1 16610636 BYZGKOBNDWWMOC-MLGZCZAZSA-N 415.449 6.373 30 40 HKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19809999 AXMSZKFRDMFCBC-UHFFFAOYSA-N 418.320 5.259 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4ccc(Cl)cc4)c3c2C1 32679258 WWNJLRCVXBUHSD-AQDQEMTMSA-N 412.990 6.332 30 40 HKEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc12 33648802 ODTBGVXYGPXPMC-WPWMEQJKSA-N 405.457 5.108 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 50860165 FNWKIEPQFCRQBJ-NRFANRHFSA-N 403.570 6.226 30 40 HKEB CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525442 OOYUDVCBUIKSAP-UHFFFAOYSA-N 418.237 7.086 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=O)NCc1ccncc1 104163519 XJMUAKZYFDYXHR-UHFFFAOYSA-N 403.655 7.142 30 40 HKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(OC)c(Cl)c3)cc2)cc1 408807113 OEVAVWKMPHPWFK-QFEZKATASA-N 424.884 5.125 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N1CC 408853696 QRQVBOQIGMFMKA-YWROOUKNSA-N 424.566 5.285 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408978807 KJLRILVWZUSNGV-UHFFFAOYSA-N 422.444 5.357 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)c(C)c1 409063517 MCEHRBHGUFEYSC-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)S/C1=N/c1ccc(Cl)cc1 409078938 JIBMXBMVMUCHOG-XMFNYGHISA-N 416.930 5.371 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccccc1Cl 409120138 VIDTUJUHJDWGTJ-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c1C 409209715 HZHDIMJCAQJZDB-DHRITJCHSA-N 412.302 6.535 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3 1759982 MHRDEBFAHYKZGU-QFIPXVFZSA-N 412.580 5.275 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC 6419744 ADJMSIAJMYJTOD-QFIPXVFZSA-N 407.510 5.162 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc2ccccc12 7777870 KVGXFBJNXCLJFY-OBGWFSINSA-N 418.471 6.728 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)c(Br)c1)c1ccc(-c2ccccc2)cc1 32100255 XCQYVJYPDNCOOU-OUKQBFOZSA-N 412.714 6.578 30 40 HKEB CCCCCCCCNCc1cc(Br)cc(Br)c1OC 102561691 NDNJEQGXFAPPNH-UHFFFAOYSA-N 407.190 5.670 30 40 HKEB CCCCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc12 107682029 CRPYFEOMDWOCSI-HCHWOYOMSA-N 408.548 5.893 30 40 HKEB CC(/C=C(\C)c1ccc(-c2ccccc2)cc1)=NNS(=O)(=O)c1ccc(C)cc1 245239597 KUZSGNNJPFTMBN-KAEHPNQASA-N 404.535 5.420 30 40 HKEB C=C(C)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@H]1c1cc(C)sc1C 257323845 WMBFCPCJLWYAGG-PMACEKPBSA-N 405.604 6.036 30 40 HKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2)cc1 408864525 WTKIJFCODQVUDX-STZFKDTASA-N 404.466 5.296 30 40 HKEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1 408914894 ZMQZCCARYQBWHR-QFEZKATASA-N 418.884 6.006 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 409209234 IAMVXAKTNJBVCR-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)SC1=Nc1ccccc1 409234960 BKYZETJLFYIHOG-HNYZTYFESA-N 421.566 5.309 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C 2055244 RJGMUFJJQIVNED-JOCHJYFZSA-N 411.542 5.031 30 40 HKEB C=CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 2375800 STJYNLNYQMZXJX-UHFFFAOYSA-N 424.620 5.788 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 3144726 SREUTDQRHOBSAM-WGOQTCKBSA-N 410.429 6.026 30 40 HKEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc2ccccc2c1 3176719 RUTCEGDXAGJUJD-UHFFFAOYSA-N 417.921 5.333 30 40 HKEB COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC 4038207 DMMKWQUGVIDQLW-QGOAFFKASA-N 415.445 5.277 30 40 HKEB biogenic O=C1/C(=C/c2cccc(F)c2)S[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 4108860 BUKSIAVMUUFROA-IFNMQTAJSA-N 407.491 5.512 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4n3C)o2)cc1Br 7343375 GMTVFFTVHMWOLK-WSDLNYQXSA-N 409.287 5.350 30 40 HKEB C=CCOc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 8104293 TXSAWLWCWDBADF-UHFFFAOYSA-N 412.283 5.185 30 40 HKEB COc1ccccc1C1N([C@@H](C#N)c2ccccc2)CCCN1[C@@H](C#N)c1ccccc1 19325922 BQOFUVSLYKFONO-DQEYMECFSA-N 422.532 5.231 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20624862 OGBRBTLZIJOZHD-JAIQZWGSSA-N 420.336 5.937 30 40 HKEB C=CCOc1ccc(-c2nnc(-c3sc4cccc(Cl)c4c3Cl)o2)cc1 27021144 FVPFIZYLKONDOR-UHFFFAOYSA-N 403.290 6.490 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1C 59137099 SVMGPZQKWRJQLP-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB Cc1c(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc2n1C 59567022 WHRJMJRYICYYJX-YVLHZVERSA-N 416.333 5.685 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1 96023761 AOJHEUTVUIWPNX-UHFFFAOYSA-N 418.706 9.375 30 40 HKEB biogenic CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 100951311 SUZURIGXHXDMJE-HSZRJFAPSA-N 416.606 5.618 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc1 105508793 XNLIUEQPMJWUGW-NKFKGCMQSA-N 404.550 7.024 30 40 HKEB Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 118918965 RHCQKTVYOJLSRN-AIIKRVROSA-N 423.641 6.283 30 40 HKEB C/C(=C\N1CCCC[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118922854 MQHJWPXWEQBQHC-XYQRRZLZSA-N 409.658 6.913 30 40 HKEB CC/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)N1CC 208475632 ASUUKPFPVNGFIZ-ZGNGNRKCSA-N 403.979 5.284 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)nc2ccccc21 408692766 URULJDRYZXHHQD-FSJBWODESA-N 408.845 5.114 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)c2ccccc21 408910968 IFLRYUZHLGPENA-OQNHBUHUSA-N 415.562 6.150 30 40 HKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c1 408956081 ZXOWQMNBFADFID-JCMHNJIXSA-N 416.550 5.052 30 40 HKEB Cc1ccc(-n2cccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409407954 WFRWEGHVSLSODI-UHFFFAOYSA-N 404.473 5.045 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1O)Nc1ccc3ccccc3c12 828703 NAIRIVSADZDCEB-HSZRJFAPSA-N 420.306 5.981 30 40 HKEB CCCOc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 4545626 SCLCIDMYSZOMNG-UQQQWYQISA-N 418.518 5.094 30 40 HKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 4740378 NLIFPNPCCRCMKI-CNFVUWAHSA-N 417.336 6.145 30 40 HKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O 6732353 FJSBQSKVYBRCQJ-UHFFFAOYSA-N 421.581 5.791 30 40 HKEB Fc1cc(Oc2ccccc2/C=N/OCc2ccc(Cl)cc2Cl)ccc1Cl 8782083 LZVUTOZHRBZVBW-OPEKNORGSA-N 424.686 7.129 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 10035274 HFYMINZIHCTHIH-UZLBHIALSA-N 424.426 5.021 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1C 14081894 AOHLMRUCURMRQW-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 16134187 DGSKIQFMHNWEFR-RRFJBIMHSA-N 403.382 5.112 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1cccc(F)c1)c1ccccc1N2 21722471 GKJGIOCQYGKCSO-DEOSSOPVSA-N 404.510 6.068 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 36245397 SNJYWSNTYATPIO-WMOWQXFYSA-N 400.503 5.499 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2c(F)cccc2Cl)nc1-c1ccc(C)cc1 39940601 FRQRJDQIBNFVLX-LSHDLFTRSA-N 402.882 5.315 30 40 HKEB CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 72228686 BIDUGTHZRWETKH-UHFFFAOYSA-N 424.570 6.152 30 40 HKEB CCCCCCC[C@H]1[C@@H](O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 98009113 IUVNAZXEDLWMKH-ROXDYWFKSA-N 411.586 5.817 30 40 HKEB CCCCCC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C/c1ccccc1 104103370 RTJMMSODBQUTEU-PJLIFIQASA-N 409.643 6.069 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl 408805068 CZPZZEGGJZBMMI-OMTSMLQXSA-N 406.913 5.655 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408873405 QOTNKWNVQBECTH-UDGIJHFQSA-N 414.933 6.416 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CC 408916798 ZDTSZBKUSFLBGO-DSBFQLCGSA-N 405.350 6.180 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)c1C 408965966 YCEAWIZZVYYNDT-LPYMAVHISA-N 419.525 5.742 30 40 HKEB COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 408968185 XBEKBXLFSVKPLS-YUMHPJSZSA-N 417.505 6.021 30 40 HKEB Cc1oc(/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C 409179007 ORUYOOUUWYZRAJ-LUOAPIJWSA-N 422.315 6.829 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409212216 OSSLDQZPJXYKJO-ZVHZXABRSA-N 410.857 5.977 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1Cl 409219019 ZQWYHDTXBZIHRD-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(C(=O)c1ccccc1)=C1SCCCS1 1092236 UYGCDCQHSJEKPX-FMIVXFBMSA-N 411.504 5.142 30 40 HKEB CCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2Cl)nc1-c1ccccc1 3104589 XXFXMJLZBCCLRG-UHFFFAOYSA-N 413.260 5.896 30 40 HKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@H]2c1ccccc1Br 4309341 FBNUIZGQBUPDCI-QHCPKHFHSA-N 404.307 6.276 30 40 HKEB Clc1ccc(Cn2cccc2/C=N/Nc2nc3ccccc3s2)c(Cl)c1 5118929 JSVSMXXKJSLKJD-SSDVNMTOSA-N 401.322 5.899 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(F)cc2F)cc1 5417163 WPMDKTPTSBFQAA-VULFUBBASA-N 404.420 5.272 30 40 HKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccccc1O 9272130 PYHYGDFUCWUCPG-WKIKZPBSSA-N 423.303 6.145 30 40 HKEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 9482826 VLHOWNFSBZMAEG-HSZRJFAPSA-N 424.928 5.129 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 10118974 AUHFGDZQPGQVHL-WYMPLXKRSA-N 417.296 5.433 30 40 HKEB COc1ccccc1/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O 13777041 NVRAMSSNHAHDBD-JJFYIABZSA-N 410.828 5.683 30 40 HKEB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(F)(F)C(F)(F)C(F)(F)F 13953274 MUSLCOBKAZSBBE-UHFFFAOYSA-N 422.325 5.735 30 40 HKEB C[C@]12OC(c3ccccc3)=CC(c3ccc(Cl)cc3)=C1C(c1ccccc1)=CC2=O 16605589 HZUTYPQMKGUNQK-HHHXNRCGSA-N 410.900 6.590 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)CC(c2ccccc2)C/C1=C/c1ccc(Cl)cc1 33654292 QGYABMNFULJNKT-VMTNTFKOSA-N 419.351 7.607 30 40 HKEB CCCCCCCCCCCNc1cc(C(C)C)c(C#N)c2nc3ccccc3n12 50860562 LMNCROKHDCOFJH-UHFFFAOYSA-N 404.602 7.425 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc4ccccc34)c(C)c2s1 72228628 MGOXPFDNPNVNHY-UHFFFAOYSA-N 402.523 6.126 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916222 CNJPGFFQFAETRQ-YOMACKGWSA-N 410.985 6.226 30 40 HKEB Cc1ccc(Sc2oc(/C=N\c3cccc([N+](=O)[O-])c3)cc2Br)cc1 408913432 UKRZYRWJEYBDGL-JAIQZWGSSA-N 417.284 6.161 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408936604 GYGBIYQDTOJHIR-BUCCSIKXSA-N 410.517 6.281 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 2055380 NSDMOOBYHONPLO-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O 2183785 PTWOVDQDWXRLHU-HAHDFKILSA-N 416.546 6.137 30 40 HKEB CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 3154845 PJUSLWPIIRXNFJ-SANMLTNESA-N 420.553 6.855 30 40 HKEB COc1ccc(C(=O)CC(C#Cc2ccccc2)CC(=O)c2ccc(OC)cc2)cc1 3185600 JFKSDGHAALJJHN-UHFFFAOYSA-N 412.485 5.218 30 40 HKEB biogenic O=C(/C=C/c1ccccc1I)c1cccc(C(F)(F)F)c1 5866495 GWAWSHGPECTMNI-CMDGGOBGSA-N 402.153 5.206 30 40 HKEB C=C(C)CSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 6761260 UVDHFWAPNKXUHB-QGZVFWFLSA-N 414.531 5.028 30 40 HKEB CCOc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)N=C2O)ccc1O 6783970 XCCWCYKWEIHPIO-DHDCSXOGSA-N 409.294 5.830 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1 13286412 DSNDJPSLXQUPOJ-HSHHTGOPSA-N 401.944 5.334 30 40 HKEB COc1cc(/C=C/C(=O)c2cccnc2)cc(Br)c1OCc1ccccc1 16406320 MVSCHQXQIMSUHX-MDZDMXLPSA-N 424.294 5.328 30 40 HKEB Cc1cc(O)c(CN2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20625210 YUNMJVNLVISFQA-WSQWEHKVSA-N 417.505 5.541 30 40 HKEB C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](Oc1cccc2ccccc12)c1ccnc2ccccc12 95868370 WTKQNCOTZYQCJS-KNILCCFISA-N 420.556 6.405 30 40 HKEB CCCCCCCCCCCCCCCCN1C(=S)c2cccc3cccc1c23 97993335 RDJXWOUPDVPSPC-UHFFFAOYSA-N 409.683 8.817 30 40 HKEB CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=CC(=O)C=CC1=O 100509290 RYDAONHARCBTNC-XLGIIRLISA-N 404.635 6.591 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=N)c1ccc([N+](=O)[O-])cc1 102585982 XNNNLAOHGWGNLI-UHFFFAOYSA-N 417.638 7.771 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1OC 135986884 GTSGGRJEQQVXFP-RAFWRMIMSA-N 416.502 5.512 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 409202647 SKPBJHDGYLUJEQ-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 409203840 ZVQFKRYUYYLPHH-JCMHNJIXSA-N 411.929 6.342 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(F)cc2)o1 409405543 OIIRPEPZPRRZRV-UHFFFAOYSA-N 409.420 5.345 30 40 HKEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2ccc(Cl)cc2Cl)cc1 1572405 NODYBFJGYRNPRQ-DHRITJCHSA-N 408.288 5.561 30 40 HKEB COc1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 4052458 MYXNMACSKQTIQW-UHFFFAOYSA-N 404.775 6.093 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 4409928 FUPHKUJOUVPDTG-MFKUBSTISA-N 415.518 5.940 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 4615618 PNMQXSJFYRIGPZ-URCRQUEMSA-N 406.529 6.286 30 40 HKEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 8431886 MZRMKRVONPBPNY-QFIPXVFZSA-N 402.579 5.228 30 40 HKEB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1OC 8657354 IFLFDEDKSGHURG-FQEVSTJZSA-N 415.489 5.482 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21 8781181 CLWXLWXIKDFAQX-ISJGIBHGSA-N 419.459 5.110 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1Cl)c1ccccc1 9110475 ZHSJFNPHXFKNQP-HXUWFJFHSA-N 424.283 5.776 30 40 HKEB O=C1/C(=C/c2ccco2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21 9158728 LUCVLDBHXUFWMP-JLPGSUDCSA-N 423.424 6.233 30 40 HKEB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)oc2c1 9190325 SMRPZNBVWNFBBD-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB Clc1cccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)c1 9196995 KRCBLVDGDAKDMF-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)N1CC 17167341 KIRGSLBBEMBQPU-ZGNGNRKCSA-N 405.926 5.199 30 40 HKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1OC 19832466 NJVZTZXKIWZURG-UHFFFAOYSA-N 400.265 5.193 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 28825835 OHVJEOXDVIFIPO-KLVPPCHUSA-N 413.646 7.037 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(N(C)C)c1 33354699 MYBWKZDSUTUNPJ-UHFFFAOYSA-N 402.667 7.953 30 40 HKEB biogenic COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@H]3CC(C)(C)CC(=O)[C@@H]32)cc1Cl 36612594 MDHKJVXFXCDIDI-JBACZVJFSA-N 416.945 5.480 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 38201231 CIIMKPUPIIYQPJ-WOJGMQOQSA-N 419.930 5.445 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 59137117 MAALPCJVNNYNMP-BKUYFWCQSA-N 421.497 5.133 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)COc1ccc(C=O)cc1 59663715 LAPDOEKLJMWWLZ-UHFFFAOYSA-N 404.591 6.902 30 40 HKEB CCOc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccccc1Cl 100384203 AHLKXQJWKYHFMY-DHRITJCHSA-N 421.884 5.238 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 101510726 BCURXPBCRVGFAN-DFCKQENNSA-N 416.646 7.824 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1OC 408549628 VXRLSWUHIVIZRY-IUXPMGMMSA-N 423.321 5.211 30 40 HKEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408873053 RCJNHYPIMGVFID-BUVRLJJBSA-N 401.539 5.086 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 408939488 STCYRRRJCWRQAG-BUHDKZNPSA-N 403.529 7.053 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)C(c1ccccc1)c1ccccc1 409051003 GPFYSRAAZVFFIH-VYIQYICTSA-N 411.526 6.070 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCC4)cc3)c2C#N)C1 409054117 MSVJAZTYKIXYSP-IPISDEMTSA-N 405.611 6.512 30 40 HKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)o1 409082515 STJHOCPHPXSVOS-JAYSCUBMSA-N 424.566 6.074 30 40 HKEB CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O 409198932 AKNGLGRQJSGIFA-STZFKDTASA-N 406.507 5.364 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 409208441 FXLBVZSSWYDECY-MFKUBSTISA-N 408.885 5.507 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 409214332 XMLNTHWKQRJGFU-VULFUBBASA-N 414.332 7.030 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 1080550 GCOXAXKYNNXZKH-AREMUKBSSA-N 415.496 6.361 30 40 HKEB C=CCCCCCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@@H](C(C)(C)C)C3 2307306 MOCUVVQBXAXONH-QGZVFWFLSA-N 415.647 5.782 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1C 2338461 ZPJUDONXWZDDIK-QGZVFWFLSA-N 420.582 5.684 30 40 HKEB C/C(=N/OCc1c(Cl)cccc1Cl)c1cccc(N2Cc3ccccc3C2)c1 4051072 ROHKZLGVFRPRIG-QQXSKIMKSA-N 411.332 6.454 30 40 HKEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 4812803 BKHMBQISFIFGCR-HXUWFJFHSA-N 423.605 5.052 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(-c2nnn[nH]2)cc1 5465018 MOANWOXZSBRKHF-XMMPIXPASA-N 421.504 5.329 30 40 HKEB Cc1ccc([C@H]2C(/C=N/c3ccccc3)=C(c3ccccc3)Oc3ccccc32)cc1 5546287 ILLPJCYLDRPTLD-AWUWXFTQSA-N 401.509 7.333 30 40 HKEB CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@@]12C 8652687 WSTYNZDAOAEEKG-HDRQAOSTSA-N 420.593 6.422 30 40 HKEB O=C(/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 12559575 PNNFGCWNESRPDF-JXAWBTAJSA-N 420.331 6.482 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc1OC 12860061 VHQRXXHTVQOIOZ-CFRMEGHHSA-N 402.446 5.207 30 40 HKEB biogenic Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1ccc(F)cc1 14235778 AIZANLYMAFNJGZ-UHFFFAOYSA-N 400.482 5.452 30 40 HKEB C=CCOc1cc(Cl)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC 16688186 QHHDQNAZYPRCAP-GOSISDBHSA-N 407.897 5.931 30 40 HKEB O=[N+]([O-])c1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O 31854546 CZJZKZYKRBNHAF-GXHLCREISA-N 409.254 5.177 30 40 HKEB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 32074396 ORIISHSUOUIYBQ-HNNXBMFYSA-N 405.454 5.443 30 40 HKEB COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1 59459256 KDIYIHOACREBPP-LGJNPRDNSA-N 401.384 5.749 30 40 HKEB C[C@@H](/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O)c1ccccc1 96316593 VBQFZLXDNSQZRE-MOROIOLQSA-N 424.529 5.622 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)cc1Cl 102607441 OJNYSAUZUWENQY-JBCNATCCSA-N 421.855 5.414 30 40 HKEB CSc1nncn1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408811310 BGBXSHTYBRCTCU-NUGSKGIGSA-N 416.337 5.192 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 408853838 YCWGFNAJBLQRDT-UCQKPKSFSA-N 412.331 5.800 30 40 HKEB CCc1ccc(/N=C2\S/C(=C\c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 408858448 ZCWZSRBKFQGABH-WMOWQXFYSA-N 402.519 6.213 30 40 HKEB Cc1c(/N=C2\S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C)cccc1C(=O)O 408931473 MDKHUDMKIJTIPQ-CEAWZGALSA-N 421.305 5.234 30 40 HKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409043648 SPNMPWUZHZXZON-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB Fc1ccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 409075756 XQWZWQTZJHHQGB-IPBVOBEMSA-N 412.390 5.689 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccccc1F 409110809 ABACTLQZVJMUQW-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(C(=O)O)cc1 409202138 PEWBJIXFTHZAQO-WGOQTCKBSA-N 403.478 5.676 30 40 HKEB O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)Sc2ccccc21 409331952 ISKLQSSHKDEAKG-JVWAILMASA-N 417.533 7.172 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc(F)cc1 2450622 YGCUFMMYQGZYSR-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB N#Cc1ccc(COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 3260901 FUUMMLAZKJETDW-UHFFFAOYSA-N 410.445 5.974 30 40 HKEB O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1ccccc1OCc1ccccc1 4070537 QMFYJTVIPKIDEU-ZHACJKMWSA-N 406.865 5.682 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1Cl 9108650 TUKMQBWGPIGDIL-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1)c1ccccc1N2 9264201 MEKSSJHXALAWPN-QHCPKHFHSA-N 418.880 5.754 30 40 HKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O 15135097 UFKKKGAPYMLOML-AUEPDCJTSA-N 411.776 5.652 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)Oc1ccccc1Cl 17092121 WCTPUOWWMZWIAO-AWEZNQCLSA-N 420.365 6.203 30 40 HKEB Clc1ccc(-c2csc(N/N=C\c3cccc(OCc4ccccc4)c3)n2)cc1 31854519 OWOTUHUHHJSIFN-QFEZKATASA-N 419.937 6.489 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCC)cc2)cc1 97950963 GBYSKQJGGZSUMH-UHFFFAOYSA-N 424.581 7.408 30 40 HKEB CCCCCCCCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97951205 KKQIEAQQAHCKMT-UHFFFAOYSA-N 413.587 6.220 30 40 HKEB CCCCn1c(/N=C/c2ccc(C)o2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176667 PSTKUCLYAYOMPR-VUTHCHCSSA-N 407.517 7.146 30 40 HKEB CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@@]21C 118916761 TXUICONDJPYNPY-BHURCUDLSA-N 414.630 6.647 30 40 HKEB N#Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 216812173 SIXPSBHDQZSFEM-UHFFFAOYSA-N 404.034 5.049 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2)cc1 408531799 RFMBGPITSGAIIW-STZFKDTASA-N 420.921 5.811 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc(O)c(OC)c3)sc2-c2ccccc2)cc1 408722076 CZIXQZPBWMOYTC-MFKUBSTISA-N 416.502 5.951 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 408857850 MXPSHURTXSXJCQ-CFRMEGHHSA-N 404.491 5.359 30 40 HKEB C=CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2255988 RBLXAURTLCHENS-UHFFFAOYSA-N 404.535 5.198 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C)c1 5003627 AMUNEISMFRRGGT-BEIQUOEZSA-N 409.580 5.769 30 40 HKEB CC(C)(C)c1ccc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccccc2)cc1 6212218 LJTREPBZGVVDDQ-UHFFFAOYSA-O 403.571 5.000 30 40 HKEB CC(=O)Nc1cccc(/C(C)=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)c1 6685360 KANAZHRWEVTHLT-MZJWZYIUSA-N 415.522 5.461 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 15188064 UAYSIFNVDLISKS-OPDKFYFQSA-N 407.561 6.638 30 40 HKEB N#C[C@@H](/C=N/Nc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 16385351 CLMFDPIDNNPWAK-XKYMNGEHSA-N 416.095 5.476 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC[C@H]1CCCO1 33027041 KCLKNJKTIQSBEK-LJQANCHMSA-N 415.449 5.129 30 40 HKEB CCc1ccc2nc(NCCCNC(=S)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 35311742 NIKKFTJYSGEPAG-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB C=CCN(C(=O)CCc1nc(-c2ccccc2)no1)c1nc(-c2ccccc2)cs1 36394153 CFIWVRUEEYOGDT-UHFFFAOYSA-N 416.506 5.012 30 40 HKEB CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccccc3Cl)=C1NC2=O 100484168 JLURWWIDCQKEEU-UHFFFAOYSA-N 420.921 5.279 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4c(O)cc(C)c(Cl)c4C)c3C)nc2c1 100502234 UUDLGOQNWBTCNN-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB COc1ccc2c(c1)C=C1C(=C/C(=N/c3ccc(Br)cc3)CC1(C)C)O2 101268462 DGKZECPVMHMEPS-ULJHMMPZSA-N 410.311 6.320 30 40 HKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 225921814 OCQGWWGQFUVXSY-UHFFFAOYSA-N 409.507 5.157 30 40 HKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 245236190 QQLGOIZFZABLDX-VXZHJDKQSA-N 422.674 5.298 30 40 HKEB biogenic CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCC(C)C 408843954 HPFMVRFFJYPUDU-NDENLUEZSA-N 414.502 5.151 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 408908531 FNGQGFLNWMDXHY-VEZGNDGZSA-N 406.595 6.695 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCC(C)C)C(=O)N1CC 408915533 PXJNPHSQDUYPGV-LBMUFILHSA-N 408.567 5.908 30 40 HKEB COc1cc(/C=N/c2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 408967786 UVJNZPPBPFSUJY-JVWAILMASA-N 411.457 5.876 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409042339 MLWRFPAHVWICBX-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1C 409101127 VQFIJQVZBUEHES-ZYITZIQLSA-N 415.562 5.929 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 409349553 QAMACSQZJJFQSR-LICLKQGHSA-N 405.903 5.450 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3 2115864 CFUOQUQTCKPALF-JOCHJYFZSA-N 412.580 5.275 30 40 HKEB C=CCSC1=N[C@@H](c2ccccc2)N2C(SCC=C)=N[C@@H](c3ccccc3)N12 2269535 XMUOHOCVMIOUES-WOJBJXKFSA-N 406.580 5.481 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 2338324 CBXLGGVASYWVNZ-LFUMJXIHSA-N 411.546 5.467 30 40 HKEB CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 4741744 QVNQXQFEMCMCDU-WPWMEQJKSA-N 416.956 6.335 30 40 HKEB COc1ccccc1C/N=C/c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 4812778 FJEBXNXDAVZISJ-AFUMVMLFSA-N 420.465 5.119 30 40 HKEB O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@]2(O)[C@@H]1c1ccccc1 5052008 LHPXMMJJEPOBSZ-UHSQPCAPSA-N 400.477 5.832 30 40 HKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCCCC2 5695282 RPBFLTPDYUXCBR-UHFFFAOYSA-N 412.002 6.338 30 40 HKEB Cc1ccc(N/N=C/c2ccc(/C=N/Nc3ccc(C)c(Cl)c3)cc2)cc1Cl 6788781 GWCVROWJFQWEII-BKHCZYBLSA-N 411.336 6.502 30 40 HKEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 7736267 VZMRCHPSJJULHI-NRFANRHFSA-N 420.900 5.019 30 40 HKEB Clc1ccccc1-n1cccc1/C=N\N=C\c1cccn1-c1ccccc1Cl 8652608 ATRABQWKGJGCSE-WFOJNGAISA-N 407.304 6.028 30 40 HKEB C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl 16292264 SQGSTCAXXBDJMN-UNOMPAQXSA-N 413.951 5.062 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17092187 RDKBEMHZEHAXFE-BZQUYTCOSA-N 420.472 5.526 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)c(Cl)c1)OCO3 18197419 AFUXWCSWEXLLBS-FQEVSTJZSA-N 416.304 5.923 30 40 HKEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2ccc(Cl)c(Cl)c21 46084702 ZXMTVSMISIAJNH-NKFKGCMQSA-N 407.297 5.288 30 40 HKEB O/C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)=N\c1cccc(Cl)c1Cl 82107523 ZQRYKPOWHHHHJI-QGZVFWFLSA-N 421.324 5.580 30 40 HKEB CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)S/C1=N\c1ccc(C)cc1 100509387 UVZDSRQCEVORHU-MJFIEBFZSA-N 403.551 5.651 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(F)cc1 104376626 VIENCXNPLORPQL-MEFGMAGPSA-N 421.670 7.105 30 40 HKEB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916194 GQZPOAUVKZAMQR-HMQVCEEZSA-N 406.610 7.081 30 40 HKEB CC(C)(C)c1ccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408543127 PHDSZEXHGDVHRY-WGARJPEWSA-N 400.478 6.029 30 40 HKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937466 GPGPEINDPZCLCN-VULFUBBASA-N 402.881 6.350 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Cl)cc1 408959620 CCOPWSHMISHHCB-OIBHPTRJSA-N 411.958 5.564 30 40 HKEB N#Cc1c(/N=C/c2cccc(Br)c2)oc(-c2ccco2)c1-c1ccco1 408973900 CHOOXMUZKOSXMW-FSJBWODESA-N 407.223 6.184 30 40 HKEB C=CCN(C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 408979471 QUWUDMKTCCIEOQ-UHFFFAOYSA-N 421.456 5.983 30 40 HKEB N#Cc1c(/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)sc2c1C1CCN2CC1 409212839 RAIXWOAXRFMJQN-MSXFZWOLSA-N 403.463 5.026 30 40 HKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C1CCCCC1 409402507 FMRUKYLWJVTGPW-UHFFFAOYSA-N 424.548 5.869 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(F)c2)o1 409404800 MAEREAQDICPOTF-UHFFFAOYSA-N 409.420 5.345 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1857622214 KHWMMNOVUASODC-RJFBUZIDSA-N 419.609 5.639 30 40 HKEB C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875296 OAROZXUHONCKKG-GJLBYMJHSA-N 418.892 5.769 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 855912 GTEMFJHQNRZEFW-WLDLSUHYSA-N 407.461 5.979 30 40 HKEB O[C@](CC#CCN1CCCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 1787221 XAVZBLKDUOVTTJ-GDLZYMKVSA-N 409.573 5.859 30 40 HKEB Clc1cccc(/C=N/c2ccc(/N=C/c3cccc(Cl)c3Cl)cc2)c1Cl 2854171 RPAOMHFODHHXGU-KOZSXFMUSA-N 422.142 7.801 30 40 HKEB N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 3176628 WFIMRMKSSXICDO-DSNGMDLFSA-N 419.459 5.110 30 40 HKEB N#Cc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 4194500 RHDRGBBYWBLUIS-UHFFFAOYSA-N 406.448 5.057 30 40 HKEB COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 5417720 ZNQCTZUMQSKGNL-ZMOGYAJESA-N 401.293 6.027 30 40 HKEB CCc1cccc(CC)c1NC(=O)CN1/C(=N/c2cccc(C)c2)SC[C@H]1CC 5985286 LCULNKRIKWHFKT-AGHKFTSRSA-N 409.599 5.573 30 40 HKEB CCCc1cc(SCC(=O)Nc2ccc(C)cc2)n2c(nc3ccccc32)c1C#N 12648899 JHMMWZLHQKVTER-UHFFFAOYSA-N 414.534 5.351 30 40 HKEB N#Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 12874896 JIDOCNUNVDDOKL-UHFFFAOYSA-N 424.304 5.034 30 40 HKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cn1 15229398 IRFCVVOFCGWONE-DICXZTSXSA-N 423.432 5.040 30 40 HKEB Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 59488283 LUOJKEWNVJXNRS-VULFUBBASA-N 415.880 5.980 30 40 HKEB C/C(=N\OCc1ccccc1)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O 101160962 SPFYLNIPRASPFK-ZXVVBBHZSA-N 410.473 5.151 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 102802297 OGRWTZFYXGVYJS-JBCNATCCSA-N 411.929 5.650 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 208505095 RSQBPOKEFNIZJX-SHSCQTOKSA-N 417.578 5.942 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 408533264 QDVFKYMQRRMIKK-ZDLGFXPLSA-N 403.862 5.280 30 40 HKEB CCOc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1O 408980401 WHLWVBNWDPNPGR-MFKUBSTISA-N 406.551 6.713 30 40 HKEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(CCCc2ccccc2)C1=O 409100958 XKSHKHQIROMJAP-FWSLEZFUSA-N 401.535 5.262 30 40 HKEB COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 409119318 WFCCZXJREJINKZ-UCQKPKSFSA-N 406.463 5.592 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC 409346391 KEMBFGKUYVXXOV-ZHZULCJRSA-N 411.548 5.364 30 40 HKEB COc1cccc(Nc2sc(C(=O)c3cc4cc(Cl)ccc4o3)c(N)c2C#N)c1 1568967 VVVADMHIBRXCCG-UHFFFAOYSA-N 423.881 5.585 30 40 HKEB N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCC2 2088530 KHVVDIZKLDLVKQ-UHFFFAOYSA-N 421.374 6.662 30 40 HKEB Cc1cccc(C)c1OP(=O)(N/N=C/c1ccccc1)Oc1c(C)cccc1C 2187819 BNZWRHBNIKVPKC-LFVJCYFKSA-N 408.438 6.110 30 40 HKEB C=CCc1cc(OC)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 2363390 BCBQVAPMWSCCJP-UHFFFAOYSA-N 414.461 5.540 30 40 HKEB C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2nc3ccccc3s2)o1 3082883 QLRDWJUTIVHPGO-PCLIKHOPSA-N 412.539 7.458 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 3113775 WOEONFWFKSIFFJ-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 3241981 DCIDMGHPWNDEKM-UHFFFAOYSA-N 413.907 5.464 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 5377475 NKPCGAOAWVPOES-YHZYWKBQSA-N 417.509 5.632 30 40 HKEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(Cl)s1 8473866 MRYCHEFOUWWUBX-LBPRGKRZSA-N 407.992 5.063 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 8789505 LWZJIAVLEMDFEL-YMKHCOABSA-N 424.452 5.538 30 40 HKEB biogenic CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(F)cc1 15945267 OHAXMGUZRLHFNE-QUOYTPRUSA-N 413.543 5.600 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 16291616 LGFVWTBUIVHXCK-JTUXUYRKSA-N 414.530 6.121 30 40 HKEB O=C1/C(=C\c2cc(Br)cc(Br)c2O)Sc2ccccc21 16524244 KGCDNURBZSYZIO-AWNIVKPZSA-N 412.102 5.247 30 40 HKEB CCSC1=C(C(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 26896904 DHMIWHJPBDPWMZ-KRWDZBQOSA-N 423.386 6.588 30 40 HKEB Clc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1Cl 100476758 UGAXFBRRNXWQOZ-ZVHZXABRSA-N 401.293 5.841 30 40 HKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl 100515467 RKHYYSYTNKAJQZ-SFHVURJKSA-N 422.352 5.551 30 40 HKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1 145184597 PKGMNTWSZXIFGR-AFUMVMLFSA-N 404.311 6.155 30 40 HKEB COc1cc(/C=N\O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 226364177 BEGUUGVQGFAUHU-GXHLCREISA-N 405.075 5.152 30 40 HKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@H]12 253497840 OCCYLBDLKHPVGI-VIGAEKBYSA-N 413.001 6.306 30 40 HKEB biogenic CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408585787 IOEPUWBPKYWUQW-UHFFFAOYSA-N 413.470 5.374 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 408722744 FVYDIWYJMTWVCF-AFUMVMLFSA-N 420.900 5.640 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1C 408878135 WUMBFJBEHMJIRC-PXSHAUCYSA-N 420.578 6.186 30 40 HKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1cc(C)ccc1C 408910382 KOWCRHJVRDJJMQ-HUOZHCEOSA-N 416.546 6.089 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 408916229 WHCGJIMKEHUTJN-COBJSXJPSA-N 400.931 5.757 30 40 HKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1O 408939946 NHHPBRSEIRFQFY-LONOEGEJSA-N 410.517 6.286 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(C)c1 408966965 OITSWRQYQKWYHD-JVWAILMASA-N 402.538 6.237 30 40 HKEB CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409053955 FAXRWZYBUOARLB-UHFFFAOYSA-N 406.309 5.093 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 409202846 TYBMENOSMVECJA-RDRPBHBLSA-N 409.529 7.185 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 409211132 MXLZBDHUNXZILQ-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)SC2=S)c1 409328678 ZTDWYNGMWDLMKT-NDENLUEZSA-N 402.500 5.533 30 40 HKEB CC(=O)c1ccc(NC(=O)CNc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1 3322283 HRSYUPXCQOYUCK-JOCHJYFZSA-N 417.896 5.249 30 40 HKEB CSc1ccc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 4628710 FXVIGUIYDFATFM-GDNBJRDFSA-N 405.342 5.063 30 40 HKEB N#Cc1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCC2 4672284 PRJBSHLTPANZAV-UHFFFAOYSA-N 411.324 5.667 30 40 HKEB Cc1ccc(/C=C2\CCC/C(=C\c3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 5836552 OLMOKVKLMNWDCR-WPHIWBHXSA-N 401.550 5.907 30 40 HKEB Cc1ccc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 32700407 VIMJXXBHZKBEGZ-UHFFFAOYSA-N 424.525 6.525 30 40 HKEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 33368418 MCCHTMOHYJPGQT-RQXHPJGPSA-N 420.465 5.082 30 40 HKEB CCc1ccc(/N=C2\S/C(=C\c3cccnc3)C(=O)N2c2ccc(CC)cc2)cc1 59104485 SDOOEFNUTQGHEP-WOARFCOISA-N 413.546 6.015 30 40 HKEB CC(C)(C)[C@@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 104234892 FCYJQKNNOIQDPN-QXFYDELESA-N 424.501 5.976 30 40 HKEB CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 109716349 DFYZWHJSKRTMCX-UHFFFAOYSA-N 422.565 6.554 30 40 HKEB Cn1c(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)nc2ccccc21 408670812 YJNUAAXANBZZBU-VULFUBBASA-N 413.912 5.676 30 40 HKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1 408765748 XQBILAWFVZALNE-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O 408909848 HSFZNUWNABTIOZ-DNLCFCFBSA-N 400.931 5.535 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2F)S/C1=N/c1ccc(F)cc1 409242534 VPGYETWVLXTVLV-YMERHICUSA-N 413.493 5.189 30 40 HKEB Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N 1394703 RLBLNMQNYASFHY-QZTJIDSGSA-N 403.894 5.402 30 40 HKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 2130845 PPVKHXSUEJNWCT-QFEZKATASA-N 400.474 6.014 30 40 HKEB biogenic N#Cc1cccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)c1 2652234 VPJZKDDJOGGFRW-UHFFFAOYSA-N 418.905 6.502 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1cccc(Br)c1 3211399 XOBJUUNGWCAUOO-UHFFFAOYSA-N 412.352 6.075 30 40 HKEB C=C(C)[C@@H]1CC=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)OC 4027197 OAUDKNYNNMXLHJ-WATLYSKOSA-N 410.510 5.290 30 40 HKEB biogenic CCc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 4601958 LLMFOKOYTRKZSU-BRJLIKDPSA-N 411.288 6.820 30 40 HKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4747110 ZMLXIXDRYDDRAR-SIBVEZHUSA-N 415.533 6.794 30 40 HKEB Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 6504247 LEZWTISEGZSTBO-OAHLLOKOSA-N 411.596 5.206 30 40 HKEB C=CCNCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 8254099 UJEKIUBSWRMWJP-UHFFFAOYSA-N 410.739 5.356 30 40 HKEB COCCCN1C(=O)/C(=C/c2cccc(C(F)(F)F)c2)S/C1=N\c1ccccc1 8722263 LOQGSDMLTYRAPQ-OEQFRZSLSA-N 420.456 5.346 30 40 HKEB N#Cc1c(SCc2ccccc2)nc(-c2ccc(Br)cc2)c2c1CCC2 8781827 PGHPNYJGTCGNSQ-UHFFFAOYSA-N 421.363 6.164 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 9088520 DFCICSLHCKGLSV-JOCHJYFZSA-N 407.510 5.162 30 40 HKEB Clc1cccc(Cl)c1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12463832 HKDDOHWQQLCMJP-YUMHPJSZSA-N 422.359 5.715 30 40 HKEB Cc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c(C)c1 16284710 ZBUGFRGRCAFXCB-AATRIKPKSA-N 407.149 6.801 30 40 HKEB Cn1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 104374505 NLTACGOMLIOMMY-HHHXNRCGSA-N 406.529 6.641 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=S)Nc3ccccc3)cc21 208252690 OHCLSFKVHFHJFO-CIKLGQITSA-N 400.979 5.383 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 245241391 CNJPGFFQFAETRQ-PXQWAQRQSA-N 410.985 6.226 30 40 HKEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)o1 408813098 FBXPTOXQSZZSCN-FRJDLFPQSA-N 423.582 6.063 30 40 HKEB O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1Cc1ccccc1 408910267 JGSUPKSHMZNZAL-QMSJJHEMSA-N 414.486 5.220 30 40 HKEB N#Cc1c(N)nc2c(c1-c1c(OCc3ccccc3)ccc3ccccc13)CCCC2 408977066 CRVIGOAEDGUQCU-UHFFFAOYSA-N 405.501 5.813 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc(NCC(F)(F)F)cc1 1565673304 SHIMCNZDSRSZDQ-UHFFFAOYSA-N 405.207 5.211 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1sc(Cl)cc1Cl 1434539 SBBDGIPSNGVLON-INIZCTEOSA-N 414.354 5.222 30 40 HKEB Brc1ccc2[nH]cc(/C=N/N=C3c4ccccc4-c4ccccc43)c2c1 1710180 JWNYHTRMGJXGLY-DHRITJCHSA-N 400.279 5.782 30 40 HKEB C=C(C)COc1ccc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc1 4657292 RFPUXEUOXRDHTR-ODLFYWEKSA-N 412.283 5.057 30 40 HKEB C#CC1(NC(=O)c2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 5500199 NALPLRGYFQHVEO-UHFFFAOYSA-N 414.427 5.024 30 40 HKEB CC/C(=N\Nc1nc(-c2cc3cc(OC)ccc3oc2=O)cs1)c1ccc(C)cc1 5614156 CNLCKYYCIZFXKQ-NCELDCMTSA-N 419.506 5.460 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 8554500 SMIWYMKUEMOZRM-UHFFFAOYSA-N 401.491 5.437 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)sc1C 9041476 MREMMGBRECSUBI-SFHVURJKSA-N 424.909 5.196 30 40 HKEB N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(F)c1 17087789 VMUCLZVTYKKBHF-UHFFFAOYSA-N 407.857 5.880 30 40 HKEB O=[N+]([O-])c1cc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1Cl 33621091 IMUBXKKNFIGVTK-WVHIBCRRSA-N 415.652 5.269 30 40 HKEB CCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 100959456 WNGPZKMJAGDIDT-UHFFFAOYSA-N 407.963 5.673 30 40 HKEB N#Cc1ccccc1/N=C(C(=N/c1ccccc1C#N)/c1ccccc1)\c1ccccc1 103644190 RWRNFOPJJAZZDJ-WWQQVGJXSA-N 410.480 6.372 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 217478498 PXKXUBYATLLJIS-JCYRPKCISA-N 424.690 5.978 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 408862419 YPCWJGVXBHHBBA-SVAUMFNYSA-N 415.562 6.351 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)N2CC(C)C)cc1 408909334 CNPUVDDDQGBPCM-WRIATZMJSA-N 422.594 6.290 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409202849 TYQODHPGEIRYAH-LGJNPRDNSA-N 418.751 7.539 30 40 HKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)c(C)c1 409202855 SQZZNHHOENDLKO-YZSQISJMSA-N 415.514 5.975 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)cc(Cl)c1O 803549 LKQBTFDKPOEKEO-LJQANCHMSA-N 403.309 5.921 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 2338618 MVPKNWWBVSLKDK-INIZCTEOSA-N 424.635 6.185 30 40 HKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O 3197088 ANEZYHGXLOPILB-UHFFFAOYSA-N 409.482 5.013 30 40 HKEB Cc1cc2c(cc1C)N[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 4048149 LLZZVEUQCQJPFU-JOCHJYFZSA-N 414.471 6.544 30 40 HKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 5841400 FDENOQNWHXAPQW-MFKUBSTISA-N 417.465 5.236 30 40 HKEB CCOc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2cccc(C)c2)cc1 7034490 LZNYKRTUUTZIKF-GOSISDBHSA-N 417.538 5.177 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccc(C(C)C)cc1 8559400 CWCWYRXYFJQARK-QLXKLKPCSA-N 411.549 6.250 30 40 HKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 9264199 PHEFPBRXSXCALU-DEOSSOPVSA-N 414.461 5.109 30 40 HKEB COc1cc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)ccc1OCC#N 9670296 IQUBNSKUQUFDMW-ACCUITESSA-N 424.456 5.056 30 40 HKEB O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1 12565035 NQXKXDUJEKPCTG-UHFFFAOYSA-O 416.353 5.010 30 40 HKEB C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)Nc1ccccc1S2 13149583 CJLHCMUGLRTACP-LFVJCYFKSA-N 423.563 5.214 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@]12C 36371218 HEWXCDIWMWJHEW-UUZSZYTCSA-N 424.717 8.531 30 40 HKEB CCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC 95704273 IEMUOVBWPOMLKU-UHFFFAOYSA-N 406.588 8.182 30 40 HKEB CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 97944407 HHUONVRRVABZBQ-QGZVFWFLSA-N 407.620 6.517 30 40 HKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102634467 CSHXGXPVOICVJD-HTUUBCJYSA-N 411.542 5.268 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@H](C)CC1(C)C 198101518 QTVQGXVYYVGDLY-LBGKPPMZSA-N 412.577 7.650 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408593084 OVUUGNBVZHANID-PCLIKHOPSA-N 405.498 5.896 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408941719 PMSNEGZKFDHDQV-WVCVUWQZSA-N 408.545 7.053 30 40 HKEB C#CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 409038769 FPYBSWMPMPZMPW-XSFVSMFZSA-N 421.422 5.240 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 409092455 YLPNAAHKLKMKRJ-YZSQISJMSA-N 412.445 5.727 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 409200371 HYYUDEUSFZPEOW-VUTHCHCSSA-N 409.529 7.131 30 40 HKEB Cc1ccccc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4154906 NWNXCHMFFPXDJV-FKIVBMLTSA-N 415.540 7.101 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O 4910226 SICHJMIBEDWISB-HXUWFJFHSA-N 417.553 5.049 30 40 HKEB COc1cccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC 4944861 XDSPHNNPKCQHOI-MRXNPFEDSA-N 423.484 5.007 30 40 HKEB O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1 5278605 QDHNXKSJAWPCFD-SOFGYWHQSA-N 410.313 6.880 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)N=C2O)c1 6642002 USNIRJKTUJYVRC-YBEGLDIGSA-N 408.401 5.455 30 40 HKEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 7426139 RVTVUTFCOBXPNQ-AWEZNQCLSA-N 411.939 6.140 30 40 HKEB CCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl 9196889 AIRCYOUFLWIEIS-AWQFTUOYSA-N 402.119 5.278 30 40 HKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccccc2OC)c2nc3ccccc3o2)cc1 11614474 VAGQMORVDMRPKR-UBZGOFDDSA-N 411.457 6.172 30 40 HKEB C(=N\N=C/c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 12368478 LOCPRVUHECBZFB-NAZWXXJZSA-N 420.512 6.298 30 40 HKEB CN(c1ccccc1)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 33573737 DRFCRLBDMDXTCO-HSSWIBTOSA-N 417.512 6.161 30 40 HKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 59463574 UXNHOHSUNWGMEZ-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB C=CCc1cccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c1O 101332729 ONDPXBOVLPDHSY-XMMPIXPASA-N 402.538 6.609 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O 102417530 XDPALDULJAQMEA-FSJBWODESA-N 403.394 5.176 30 40 HKEB C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408850880 FIESUSANEYMYJK-YSMPRRRNSA-N 420.534 5.465 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409070850 MGBAGYCZEPAVMV-PXLXIMEGSA-N 401.487 5.641 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C)cc1 409118339 QATXNKNFGFELPI-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCc1ccccc1 409218493 VQBACNNUEZMZLV-QMSJJHEMSA-N 424.566 5.363 30 40 HKEB O=C(CO/N=C\c1ccccc1OCc1ccc(F)cc1)Nc1ccc(Cl)cc1 409370029 JSORWSFKPKTUAP-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1 851673 LOHLSAKFWNYSIE-CFLRLNCXSA-N 413.852 6.016 30 40 HKEB COc1cc(/C=C2/CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1OC(F)F 1457657 VODAUYOHBFMFEN-SXQSXHJWSA-N 413.464 5.583 30 40 HKEB COc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 2848689 UUPKNXHCSFTBRQ-JVWAILMASA-N 408.526 7.184 30 40 HKEB C=CCn1c(SCCOc2ccc(Cl)cc2)nc2sc(CC)cc2c1=O 3292865 YYURZLJHCXRKCG-UHFFFAOYSA-N 406.960 5.031 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4951353 LOLKGDPOQFSHNT-IFRDHECKSA-N 417.937 5.503 30 40 HKEB C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N/c1cccc2ccccc12 5720841 HTLHSSUOOZIHQS-OCOZRVBESA-N 402.519 5.805 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccc(C(C)C)cc1 8559398 CWCWYRXYFJQARK-MRDQGFSESA-N 411.549 6.250 30 40 HKEB Cc1ccc(/C=N/n2c(-c3cc(C)c(C)cc3C)cs/c2=N\C[C@@H]2CCCO2)o1 12542990 IKYMTHJEYFNKAY-VODWQXMISA-N 409.555 5.005 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 19315225 HIHKHRNPBLIRHA-SFHVURJKSA-N 408.325 5.161 30 40 HKEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(OCc3ccccc3)cc2)cc1 19850079 LHLQETWCXXHETK-IWIPYMOSSA-N 416.506 5.077 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 26963371 PBDMZGCAFNAXMX-UKWGHVSLSA-N 421.196 5.516 30 40 HKEB COc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087943 ZBEMWKCXCFXZCJ-UHFFFAOYSA-N 405.401 5.062 30 40 HKEB CN1C(=O)[C@@]2(Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 55104759 NUXBXQWKQMMKQW-HHHXNRCGSA-N 408.501 5.280 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Br)cc2)S1 59224281 KGRHZKYQASRUCA-NVNXTCNLSA-N 407.720 5.303 30 40 HKEB CCCCCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954523 QIEJISVFGQZZRG-IBGZPJMESA-N 405.542 5.536 30 40 HKEB CCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1 100839415 YQDAXRFMGYIQDW-GUKAZZPRSA-N 407.554 6.510 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc2ccccc12 408562438 PNBPOQBIXCFFQH-UHFFFAOYSA-N 422.598 5.861 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(Cl)c1Cl 408750903 TYVBGVQYBALSRH-AFPJDJCSSA-N 404.257 5.150 30 40 HKEB Cc1ccc(C)c(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408821056 BWVZPNVVVAYAAX-JJFYIABZSA-N 420.759 7.214 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc(OCC)c1O 408905454 AJMWXPIHBYUCCO-RAFWRMIMSA-N 422.550 5.533 30 40 HKEB COCCCN1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)S/C1=N\c1ccccc1 408932341 VWDGIFDPWBDGBY-WMOWQXFYSA-N 424.566 5.362 30 40 HKEB CCCCCCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408975693 CGUDXQWIJABVLY-UHFFFAOYSA-N 417.509 6.240 30 40 HKEB Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cccc(Cl)c1 409036013 KXINTQSTOVNLBB-JAHAZDFLSA-N 415.740 5.461 30 40 HKEB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1ccc(C)cc1 409115296 INEMHAATMFHXJX-UCQKPKSFSA-N 405.479 5.763 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409203378 VWDWUEIOVBRBGB-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1C 409331214 DCOVGTROWYCWSH-HAHDFKILSA-N 414.530 5.774 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C(C)=O)cc3)c3ccccc32)o1 409392926 OIHHCGCMRBOBGV-DHRITJCHSA-N 400.434 5.022 30 40 HKEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2093091 SQQJNLXGVSPXAE-AWEZNQCLSA-N 416.974 5.750 30 40 HKEB CCOc1ccc(OCCO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 2645535 SXVXNDDJDJOVPY-NLRVBDNBSA-N 421.493 5.102 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)(C)C 4028947 ADSXFPHNMCPJSW-UQNNCVIOSA-N 415.618 6.052 30 40 HKEB biogenic Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(/N=C/c3ccccc3)c3ccccc32)cc1 4558349 MLJGUFPDQXWONS-TWKHWXDSSA-N 416.524 6.019 30 40 HKEB Cc1nnc(N/N=C/c2ccc(C(C)C)cc2)nc1N/N=C/c1ccc(C(C)C)cc1 5010522 LVVFPHCRKIFRSQ-LVSXPEEVSA-N 415.545 5.319 30 40 HKEB C[C@H]1CC2=C(C[C@H]1/C=N/n1cnc3c([nH]c4ccc(F)cc43)c1=O)C(C)(C)CCC2 5024994 PYRYQEDXBYQROD-NVAPRDRSSA-N 406.505 5.404 30 40 HKEB CC[C@@H]1CN=C(Nc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)S1 6551444 DSHLNDOERYRIEK-AFAPPVNZSA-N 412.558 6.543 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c1 12858814 WGEQCOHHLFWSLI-CFRMEGHHSA-N 402.446 5.207 30 40 HKEB biogenic COc1cc2c(cc1OC)[C@H](c1ccccc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197779 KQDYALYOUAZJRU-GYCJOSAFSA-N 417.530 5.724 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(C(=O)OC)cc3)o2)CC1 27562434 XNFFWYHVMAMQIE-MFKUBSTISA-N 408.502 5.243 30 40 HKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(OC(=O)c2cccs2)cc1 32099603 OPSSPLMGYIQPGR-BUVRLJJBSA-N 401.491 5.520 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916140 VIELWYIXEODCTJ-ZXSGGSQCSA-N 405.626 6.748 30 40 HKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225068442 JJOFFJINOHFPHJ-UHFFFAOYSA-N 407.535 5.543 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 409096281 DCRXCAIHWJYKGI-JJIBRWJFSA-N 419.506 5.333 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 409199073 AZGIBSADENJTEY-DHRITJCHSA-N 413.304 6.070 30 40 HKEB Clc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 409216791 OMVQPCSZTQDPHI-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB CCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330400 ZHLCQJIGPWWKTA-YPKPFQOOSA-N 414.396 8.322 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1 711200 XYQXVSROFHJBPG-YDZHTSKRSA-N 407.267 6.017 30 40 HKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ncccc32)c(OC)c1 1078371 GQQQZVVFDHVAIW-HSZRJFAPSA-N 414.505 5.453 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1C1CC1 3262275 SQZSUZOQNSTZIP-WJHCFOETSA-N 421.566 5.043 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@@H]32)C1 6733753 PYLBSMLISGOFKG-OVBHEWPQSA-N 418.577 6.144 30 40 HKEB biogenic CCOc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC 8384730 XZILYBWAJVIKAG-LSHDLFTRSA-N 422.337 5.970 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 9678959 CIIMKPUPIIYQPJ-WQRHYEAKSA-N 419.930 5.445 30 40 HKEB N#Cc1ccc(/C=C\c2cccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 13403159 MNLZMTAAZOKFIN-MVTUOISNSA-N 422.400 5.587 30 40 HKEB COc1ccccc1[C@@H](CNc1oc(-c2cccc3ccccc23)nc1C#N)N(C)C 27562228 ODIOXRKRTMMXTF-JOCHJYFZSA-N 412.493 5.090 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3cccc(Cl)c3)nc2c1 35292329 DGFDENWAPBMJOU-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB CCCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 100597389 NGHPMZFEKJLGCM-HNNXBMFYSA-N 410.729 5.180 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531499 KIUZUQZPXYDQBR-OWOJBTEDSA-N 414.083 5.844 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)C[C@H]2OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 103866634 CLHQHYNIOKAGEX-QIFABLSXSA-N 420.658 5.052 30 40 HKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225766994 HGBCQCQUGJQQRW-UHFFFAOYSA-N 417.336 6.104 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1OCC 408560833 PMYZCIOPLAPTRW-UHFFFAOYSA-N 416.591 5.107 30 40 HKEB CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 408582959 PZCGXGBSKTVELO-UHFFFAOYSA-N 418.449 5.019 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c(C)c1 408914092 SOEKEOYFBRXRQZ-OQNHBUHUSA-N 420.578 6.249 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)nc1 409021444 HXQMUIRBKBGXCO-RMORIDSASA-N 413.877 6.413 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3O)c2)cc1C 409380139 IYJZFEFZUFJNCU-MXAYSNPKSA-N 408.885 5.431 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)nc2c1 786900 OTLDUJMBUFIVDY-UHFFFAOYSA-N 402.306 5.453 30 40 HKEB N#Cc1c(/N=C/c2cc(Br)ccc2O)oc(-c2ccco2)c1-c1ccco1 1512965 WHSKGHMSTGMVFU-FOKLQQMPSA-N 423.222 5.890 30 40 HKEB O=C1C(Cl)=C(c2ccccc2)N(c2ccccc2)C(=O)[C@]1(Cl)c1ccccc1 2145150 YCSJNACFRLKMKN-QHCPKHFHSA-N 408.284 5.344 30 40 HKEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc(Cl)c1 2325825 WGCBVJDQHAVYAW-UHFFFAOYSA-N 420.763 5.839 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4c(C)cccc4o3)cc2)c1O 3033965 WIFNESGOFFRVRN-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccccc1)c1c(ccc3ccccc13)N2 4708005 ZBNIQBAZEURMGW-XUZZJYLKSA-N 411.501 5.440 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 4817825 RYSWMVHRWVFVHI-QHCPKHFHSA-N 415.489 5.490 30 40 HKEB Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\C[C@@H]1CCCO1)S3 4969520 WUCVXMXVSLDDSX-NYRITSKKSA-N 423.626 5.873 30 40 HKEB Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N/N=C/c3cccc([N+](=O)[O-])c3)c2c1 8690522 MRHJELMQAQKKDF-ZVBGSRNCSA-N 424.675 5.119 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCCc4ccccc4)o3)o2)cc1 8844528 DGNUHHZQEVFPDT-UHFFFAOYSA-N 415.449 5.048 30 40 HKEB Cc1ccc(OC(=O)c2ccc3ccccc3c2)c(/C=C2\Sc3ccccc3C2=O)c1 13617956 UTSZJEVFQRDXOV-XYGWBWBKSA-N 422.505 6.697 30 40 HKEB Cc1nc(SCCCOc2ccccc2)c(C#N)cc1C(=O)Nc1ccccc1 23080899 BZJGYANPQZIZJG-UHFFFAOYSA-N 403.507 5.075 30 40 HKEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 59837363 AQGCMDSHXOAESU-UHFFFAOYSA-N 401.228 5.995 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 97528781 KPMMIZLQECJQJE-OUJPLRSTSA-N 407.554 6.590 30 40 HKEB biogenic CCCCCCCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 102091827 XBRGUHCQQSYWET-UHFFFAOYSA-N 415.986 7.442 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 102590106 OBRWDCDXYJMPEY-JBCNATCCSA-N 403.865 5.275 30 40 HKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 102929039 WAANNZRYJWWDSY-LFVOPCPISA-N 422.481 5.032 30 40 HKEB CCCCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1 103645854 QGIKOETXLIAPAH-UHFFFAOYSA-N 400.471 5.790 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408591234 JCKMMBBKGQUCIM-MFKUBSTISA-N 405.498 5.851 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 408692640 RKGMOIPBZSNZKF-NTEUORMPSA-N 407.307 6.233 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)S1 408787845 ADBOMKVEFSXBOB-NDENLUEZSA-N 413.974 6.073 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408842695 AMHHAELLPBWKQY-VROXFSQNSA-N 421.711 6.503 30 40 HKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1cccc(C)c1 408977970 GKYMICYAICNISH-UHFFFAOYSA-N 421.500 5.766 30 40 HKEB CCCCOc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)c1 409061412 ZNVMMZICEDVARE-ZSICUCBDSA-N 424.522 5.188 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 409077991 GFXYRYIQBWUACV-VSRRSJTHSA-N 400.975 6.573 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccccc1F 409129170 FWLMPFNEMHGIGZ-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409214192 WMNASSBNGXXBTK-VULFUBBASA-N 423.896 6.075 30 40 HKEB CCNC(=S)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 409372601 MITHUIJQYKEEHT-BHGWPJFGSA-N 419.381 5.123 30 40 HKEB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 2269941 JCLLHRGLIFASKQ-QGZVFWFLSA-N 410.583 6.058 30 40 HKEB Cc1cccc(C)c1OP(=O)(N/N=C/c1ccccc1O)Oc1c(C)cccc1C 3117415 VVNUDNGIMWDFPP-BUVRLJJBSA-N 424.437 5.815 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(C(C)(C)C)cc1)Nc1ccc3ccccc3c12 3211143 NNGDEJDEMCRVPU-MHZLTWQESA-N 409.573 7.447 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1cccc([N+](=O)[O-])c1 3211242 UVKWCHQFRYCHNZ-PFITVWDTSA-N 417.852 6.781 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)CC[C@@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccc(F)cc1 4023226 XZPGAROSGKQXQY-NKNSOGTNSA-N 424.487 5.738 30 40 HKEB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 4349280 JNJQLNKOXILSCE-XMMPIXPASA-N 416.521 5.000 30 40 HKEB CCOc1cc(/C=N/n2c(CC)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 5236554 JWNWMYMWYLDCHU-WSDLNYQXSA-N 416.934 5.016 30 40 HKEB Cc1ccccc1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1 13081313 FKBZOTJNWMRFST-UHFFFAOYSA-O 403.571 5.631 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 32984170 JIDWLCHSULRSJI-UHFFFAOYSA-N 409.894 5.298 30 40 HKEB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(C(C)C)cc3)C[C@H]12 36614424 LYWNEJOPIMJYIT-YLXIFHIASA-N 414.589 6.937 30 40 HKEB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1sc2c(c1C#N)CCCC2 101113110 SIVLCDBIXUANTL-XSFVSMFZSA-N 412.518 5.370 30 40 HKEB CC/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)N1CC 208241097 VNULTEYDVUTAFA-KNGLTNFYSA-N 405.995 5.374 30 40 HKEB C=CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 225099396 GSBQPXNTFUGUJI-JWGURIENSA-N 418.518 5.031 30 40 HKEB FC(F)(F)/N=C1/SC(=Nc2ccccc2)N(c2ccccc2)/C1=N/C(F)(F)F 255980110 IZFZCMFMJKDHJZ-RUHWIAMXSA-N 416.350 5.764 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408737634 FJZPQFCEFFFNFI-ODLFYWEKSA-N 400.931 5.575 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC 408908525 AGLMCSFKSKHPPF-GCXIQGEKSA-N 420.509 6.272 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409068972 TWAHSPIOXGXWTG-FOKLQQMPSA-N 417.252 5.322 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C 409114624 KOYZGYWVLVUEIW-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409201682 NMYWSWXNGGVBBU-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCC 409202703 TWUPFHOQRSJCNH-UDWIEESQSA-N 409.267 5.148 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)c(O)c(Cl)c3)c2C#N)C1 409212302 PPZQPEDEUMGPLF-LYORIEDSSA-N 407.366 6.534 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cc(Cl)ccc3C)c3ccccc32)o1 409390053 DJJGVOAEWQLUOD-BRJLIKDPSA-N 406.869 5.782 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889128314 MNCABEXSEDNYIM-SHEKOIJXSA-N 421.625 5.719 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 2444408 FIJQAHLHWFROBN-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB CCCCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 8450399 ULTFWGZIWDQDSW-OUKQBFOZSA-N 410.465 5.005 30 40 HKEB N#CCCn1cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)c(-c2ccccc2)n1 8518822 HONRAUISXCLGNR-LGMDPLHJSA-N 414.490 5.089 30 40 HKEB CCN(CC)/C(=N\c1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl 18084682 MGFLDRXGSOZYQB-XSFVSMFZSA-N 415.173 5.406 30 40 HKEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc2ccccc12 19682274 CTGXXIUKDMUJTI-ZTKZIYFRSA-N 403.529 5.561 30 40 HKEB C=C(F)CCCCCCCCC(=O)OCc1cc(Oc2ccccc2)ccc1F 39180833 DBJTZXRBBKFRKD-UHFFFAOYSA-N 402.481 7.265 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)c(C)c2)NC1=O 59224057 GJVFOPXDDSOYKR-HAHDFKILSA-N 412.514 5.360 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@@]21C 118913308 QGVQZRDQPDLHHV-QGCYDVEPSA-N 402.732 8.326 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 408755866 NPBDWKXTEDGRMF-UHFFFAOYSA-N 403.481 6.224 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 408855798 DXFUFLUTZKQISB-ODLFYWEKSA-N 411.914 5.040 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1C 408878137 WUMBFJBEHMJIRC-ZMCYPXNOSA-N 420.578 6.186 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccc(C)cc1 408910480 ILXVLDSTSGCYBC-MIIQOVFOSA-N 408.523 5.186 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3O)c2C#N)C1 409082583 QGWTYGCFSUQFDC-HJQVIKLGSA-N 417.372 5.989 30 40 HKEB C=CCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409389699 RHYPLRSGYPABHO-XRRNWMHTSA-N 403.551 5.424 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)Nc1c2ccc2ncccc12 1440567 XOKDIAQXENWDNU-NRFANRHFSA-N 405.295 5.671 30 40 HKEB Cc1ccc(OP(=O)(Oc2ccc(C)cc2)N2C=Cc3ccccc3[C@@H]2C#N)cc1 1711063 NFXWVIKRJLDWAX-DEOSSOPVSA-N 416.417 6.421 30 40 HKEB in-vitro Cc1ccc(S(=O)(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 1742105 NJAOCDOAPINPJG-YXLFCKQPSA-N 402.519 5.056 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O 4910561 YKSONLFELBMPJL-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccc(O)cc2)c1 4948844 BGHYTIBANANWGK-QHCPKHFHSA-N 413.521 5.395 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2)c1O 6758638 GXMCXQBWAFBHSH-ZMOGYAJESA-N 402.277 6.641 30 40 HKEB C=CCN(C(=O)CCc1ccco1)c1nc(-c2ccc(OC)c3ccccc23)cs1 6848689 LPSUECVFDLXEMA-UHFFFAOYSA-N 418.518 5.717 30 40 HKEB CCOc1cc(C)c(C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C 6958363 SKXBFZHMLHNOMZ-GFGGGFFZSA-N 424.610 5.938 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 6962299 OQLLWAJSCXKSIR-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 8362858 WDECJVDXWBXSQP-POHNCSCLSA-N 408.910 6.142 30 40 HKEB C/C(=N\Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1ccc(Br)cc1 9271863 UYPVFFIQBNSOPA-QPSGOUHRSA-N 418.509 5.512 30 40 HKEB Cc1ccc(-c2csc(N/N=C/c3ccccc3OCc3ccc(F)cc3)n2)cc1 9925856 GGPZYMHVSJAEPO-VULFUBBASA-N 417.509 6.283 30 40 HKEB COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1OC 13068708 OORIJTQWWMDOHQ-ZHACJKMWSA-N 410.901 5.115 30 40 HKEB C/C(=N\NC(=S)Nc1ccc(SC(F)F)cc1)c1cccc(C(F)(F)F)c1 13098463 BIVRLMOXLNFRKI-YSURURNPSA-N 419.444 5.731 30 40 HKEB Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl 19808602 VXPKWRXTBVZJAX-JVWAILMASA-N 422.359 5.715 30 40 HKEB C[S@+]1Cc2ccc(cc2)C[S@+](C)Cc2ccc3ccc4ccc(cc4c3c2)C1 25694146 YJEMQVQIKIRJLY-VSGBNLITSA-N 402.628 6.203 30 40 HKEB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N 33011108 WTKMXAQGNOGDOR-UHFFFAOYSA-N 423.925 5.322 30 40 HKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(Oc4ccccc4)c3)cc2)cc1 33452236 CXXKDFDSGZQIGI-UHFFFAOYSA-N 420.468 6.035 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 36245395 LMUSQXHUEFHWAW-WMOWQXFYSA-N 400.503 5.499 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)c2C)cc1 59105739 USOQCSGTFUWRTA-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB CCCCCCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 100573129 LQYFWWOJOQWYQD-OAQYLSRUSA-N 420.384 5.933 30 40 HKEB O=C(N[C@@H](/N=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104125987 AKQQYZOQDLATEW-KXQYWQJRSA-N 417.723 6.195 30 40 HKEB CC(C)=NNc1nc2c(Br)cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302913 NGLZRGPIBYLEEF-UHFFFAOYSA-N 418.404 6.334 30 40 HKEB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253497819 GQZPOAUVKZAMQR-HGZUBDBJSA-N 406.610 7.081 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 408952205 LIYOSUDWASZLCD-MHWRWJLKSA-N 423.321 5.292 30 40 HKEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)cc1 408960257 KIQKKQCDCOVPAC-WQRHYEAKSA-N 418.349 5.485 30 40 HKEB COC(=O)c1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408975815 NWHPLQRHYHZOGH-WYMPLXKRSA-N 413.389 5.280 30 40 HKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cc(C)ccc2C)c1 409208800 AFGWNSHWKODPGD-STBIYBPSSA-N 422.528 6.533 30 40 HKEB CCc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 409214999 ZDBTZKCLGYDICY-OEAKJJBVSA-N 421.409 5.617 30 40 HKEB COc1ccc(/C=N/CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 2101152 CIMBWRCZKFKGHE-AUEUWSLNSA-N 403.478 5.074 30 40 HKEB biogenic COc1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1I 4713914 RWVIRCMLEDIMCY-QGMBQPNBSA-N 406.050 5.357 30 40 HKEB Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc3ccccc3s2)cc1 5446945 WRYPADVMNGLOQI-AFUMVMLFSA-N 413.481 5.734 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1Cl 12284810 FITQAIMNYQHKKS-CSKARUKUSA-N 423.295 7.718 30 40 HKEB COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OCC#N 12567900 PYZFJBLBDYBXRG-MKMNVTDBSA-N 414.461 5.350 30 40 HKEB COc1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1COc1cccc(C)c1C 13496593 KUSYEZKMIVZFKA-MFKUBSTISA-N 419.550 5.623 30 40 HKEB CCN1C(=O)/C(=C/Nc2ccccc2)S/C1=N/Nc1nc(-c2ccccc2)cs1 17222763 ANVVUUZZMXFCGG-OQJKFJKISA-N 421.551 5.042 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2C(F)(F)F)cc1 19860989 ZUBNTFPDHJZUIE-MSXFZWOLSA-N 404.461 5.806 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984336 HTZZDORLKCIXSC-UHFFFAOYSA-N 421.493 5.401 30 40 HKEB S=C(N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl 35104818 SKCDBPJQYUHJFC-MESHQIMYSA-N 420.152 5.132 30 40 HKEB N#Cc1ccc(/N=C(\O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl 82055636 PZMZDXWACSEOSU-HXUWFJFHSA-N 413.955 5.570 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916185 NJWYLVQOSGELIN-MQIURPGSSA-N 420.637 6.776 30 40 HKEB CCc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408722550 KHPNSMJPSRDSPZ-PCLIKHOPSA-N 413.502 6.698 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1OC 408723511 WBPFDWPIPSYGJC-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB C#CCOc1c(Cl)cc(-c2c(-c3ccc(C)cc3)cnc(N)c2C#N)cc1OCC 408813010 DCYPRWPHKUIHPH-UHFFFAOYSA-N 417.896 5.242 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)c1 408964286 CSJBXSDKCMLEMX-QQXSKIMKSA-N 418.493 5.198 30 40 HKEB N#Cc1c(N)nc2c(c1-c1ccc(OCc3cccc4ccccc34)cc1)CCCC2 408982840 ZLJLLFBOJAIYEE-UHFFFAOYSA-N 405.501 5.813 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 409065989 OFIQGWBARSFCEJ-XDHOZWIPSA-N 415.898 5.150 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)NCc2ccco2)C1 409088696 GMMSIYIARFVVRX-XFRWHIHTSA-N 410.539 5.766 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409214424 XKBGYOIXAWMSPS-VULFUBBASA-N 422.912 5.734 30 40 HKEB N#Cc1c(Sc2ccccc2)nc(-c2ccncc2)nc1-c1ccc(Cl)cc1 3029398 KEUPGFMTWNKJPS-UHFFFAOYSA-N 400.894 5.882 30 40 HKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 3162748 QBMRWSXGQPCLKR-HRLJDNPUSA-N 403.825 6.472 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3cccc(C)c3C)c2)cc1 4144543 QAGHHHJTLDMMTR-RIYZIHGNSA-N 402.490 5.796 30 40 HKEB biogenic,in-vitro Cc1ccc(-c2csc(N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 5274516 DPKMYHAGBGKQHX-FSJBWODESA-N 407.930 5.712 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1cccc(Cl)c1Cl 7343440 PTLRGCFXTUUMMN-WYMPLXKRSA-N 412.324 5.734 30 40 HKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1 7611096 QABLCWGQUIKKPT-UHFFFAOYSA-O 401.964 5.357 30 40 HKEB C=CCN(C(=O)c1cc2c(C)nn(CC(C)C)c2s1)c1nc2c(s1)CCCC2 7980939 WHZGOKBUJSTYFL-UHFFFAOYSA-N 414.600 5.230 30 40 HKEB O[C@@H](Cc1ccccc1)/C(Cc1ccccc1)=N\Nc1ccc(Br)cc1 13402498 OQKJETUUXLFLIA-JSIHEXFSSA-N 409.327 5.063 30 40 HKEB CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nnc3-c2ccccc2)cc1 16678498 NHDWTEAGBQAFHK-PNHLSOANSA-N 420.520 5.178 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccco1 18244301 PBYZJAAMDICKIB-XMMPIXPASA-N 412.489 5.733 30 40 HKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OC)c(Br)c3)nc1-2 103583894 KQQZKXOWUHXDDW-FBHDLOMBSA-N 415.312 5.245 30 40 HKEB CCCCCCCCCCCCCNC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 104101871 FCZKFYVSMMQHBU-FQEVSTJZSA-N 406.567 6.041 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3cccc(Cl)c3)sc1C2 104469222 ROROQIQMKHMMGC-ZVBGSRNCSA-N 419.731 5.889 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226321874 ZRJYLAMXVUZVLM-UHFFFAOYSA-N 406.092 6.222 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3ccc4ccccc43)c2C#N)C1 408582014 LAUCECBFYOGRQZ-KRWDZBQOSA-N 405.567 5.754 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3ccc4ccccc43)c2C#N)C1 408582015 LAUCECBFYOGRQZ-QGZVFWFLSA-N 405.567 5.754 30 40 HKEB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O 409020309 NUAWEEVOWXTDNO-PBFYJAPKSA-N 413.568 5.479 30 40 HKEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409090380 PGCQYDYKNDVQBJ-LRJOKAOCSA-N 418.566 5.512 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Nc5ccccc5)cc4)ccc32)c1 409221069 KLMVFUXTGUDJJA-FSGOGVSDSA-N 419.503 7.323 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@H]1O 521205710 HKXBNHCUPKIYDM-JMIJHXIASA-N 412.658 6.612 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 1034618 FSNAXJSDKYKURI-JOCHJYFZSA-N 417.940 6.035 30 40 HKEB N#Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCCC2 3244345 WWIRLRWYLRYTAI-UHFFFAOYSA-N 400.547 6.049 30 40 HKEB O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)Sc2ccccc21 5171082 VGDTVMFDEWMPCS-NHDPSOOVSA-N 413.325 6.902 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 5376595 LFYYGLASDVTNSP-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 9296485 JESSIPLYLOPMCW-ZMOGYAJESA-N 423.925 5.983 30 40 HKEB Cc1ccccc1COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 9422427 REDADJXGYCTPTK-AFUMVMLFSA-N 409.485 5.990 30 40 HKEB CC1CCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)CC1 13831700 AWJANRHMAPWXID-UHFFFAOYSA-N 407.901 5.682 30 40 HKEB C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(F)cc1 15082742 FEHWPMKKWDTRIP-MRXNPFEDSA-N 423.465 5.291 30 40 HKEB Cc1ccc([C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)c(C)c1 16037466 QTHZGJIAEIEINR-OYUWMTPXSA-N 419.503 6.342 30 40 HKEB C=CCC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OC(C)(C)C 38898493 XUZJKECLNPPVLC-FDFHNCONSA-N 407.510 5.598 30 40 HKEB in-vitro COc1ccc(Cl)cc1/N=C(\O)[C@H](C)N(C)C/C(O)=N/c1ccccc1SC 82048876 JDHVOTOBVMJYSB-ZDUSSCGKSA-N 421.950 5.267 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(OC)cc1 100505583 LHAJMHPHGUOJMS-YALZWYRPSA-N 411.552 5.079 30 40 HKEB CCOP(=O)(OCC)[C@@H](/N=C/c1ccc(Br)cc1)c1ccccc1 101193570 HWRYILBDNDYNBR-SQVRNEIYSA-N 410.248 5.833 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OC(C)C 408596706 TTZIDLHECDATKL-FSJBWODESA-N 417.303 5.057 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)SC1=S 408725536 LJJNEPSGOFLJJV-POJNRUHKSA-N 409.536 5.812 30 40 HKEB C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC=C)C3=O)c2C)cc1 408813087 DYMYOFJIRFLJJP-ZHZULCJRSA-N 410.564 5.046 30 40 HKEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc12 408945473 WMRZGJYZYJSQBG-UDWIEESQSA-N 422.278 5.497 30 40 HKEB Cc1ccc(Cn2c(/N=C/c3ccc(Br)cc3)nc3ccccc32)cc1 1501241 SGDZEQDDNDMXAV-ZVHZXABRSA-N 404.311 5.906 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1c[nH]c2ccccc12 2449218 BNTGXVPRMDJCBX-FRKPEAEDSA-N 421.831 5.732 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4405364 JATXPBXXSDNIFH-WGOQTCKBSA-N 410.429 6.026 30 40 HKEB COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 4501746 BHBZYHBVPPOZLC-MFKUBSTISA-N 420.534 5.647 30 40 HKEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(C)Cc2ccccc2)C1=O 9575325 RPGXWUYYCREGBW-IWIPYMOSSA-N 415.489 5.039 30 40 HKEB CC1=NC2=N/C(=N/c3cccc(Cl)c3Cl)N[C@@H](c3ccc(C)cc3)N2C(O)=C1 16977748 BBCIKQLTYDVGDX-GOSISDBHSA-N 414.296 5.123 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)[C@@H]1C(=O)CN=C(c2ccccc2)[C@@H]1c1ccccc1 19203731 RQRCXSWMJGLQTL-QQXGHWHYSA-N 413.904 5.394 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccccc3Cl)c(C#N)cc2c1 35312815 QBMLELZXQZGRKQ-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB COc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccc(Cl)cc1 97165202 QUDSPDKZMUNRBT-DTQAZKPQSA-N 413.904 6.768 30 40 HKEB CCCCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 98045626 HFGWDSTWBLEELP-UHFFFAOYSA-N 407.598 6.509 30 40 HKEB CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)NC1=O 100307577 MFFFCCQIZQOHHW-SANMLTNESA-N 414.634 6.983 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 100367204 MCCHTMOHYJPGQT-QVDOLUCOSA-N 420.465 5.082 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102588259 UEJWTGIHMWGGPS-LJQANCHMSA-N 400.434 5.373 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408667192 QLLNPGDCIVSYDC-GIDUJCDVSA-N 423.306 5.933 30 40 HKEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1OC 408705621 KDHKFDLNIYHJRD-GOSISDBHSA-N 414.505 5.167 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N/c3cccnc3)c2C)ccc1I 408777010 UOWKGDQTLXCCEK-SSDVNMTOSA-N 415.278 5.153 30 40 HKEB Cc1ccc(Sc2oc(/C=N\c3cc(C)ccc3C)cc2Br)cc1 408911785 DJBGIXAMUBJVAD-UUYOSTAYSA-N 400.341 6.869 30 40 HKEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1C 408928594 CMNFTGZXTDUNSX-GWVBHJPQSA-N 407.322 5.104 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)o1 408935254 NBZXMMDUKLMWEL-KSEXSDGBSA-N 405.332 5.328 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409105762 KIYCUVUFRJVDAL-OPEKNORGSA-N 416.359 5.034 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409210986 MONXETJIYFEBJA-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 409213093 SHBVYXALAYSTCP-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB Cc1cc(C)c(/N=C(\NCc2ccc(Cl)cc2)Nc2c(C)cc(C)cc2C)c(C)c1 3178248 PDRKZKZWKILKPR-UHFFFAOYSA-N 420.000 7.080 30 40 HKEB C=CCn1c2ccc(C#Cc3ccccc3)cc2c2cc(C#Cc3ccccc3)ccc21 3771333 VVUNLFYAIHDNPI-UHFFFAOYSA-N 407.516 6.780 30 40 HKEB CC(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 4289024 JITSQOKWXVCCCQ-FQEVSTJZSA-N 408.712 5.496 30 40 HKEB Cc1ccc2[nH]c3nc(N/N=C/[C@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 4713010 QYIMABHCVGWZOK-KBQGXEDXSA-N 402.546 5.621 30 40 HKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2C)CC1 5164308 ZGVKNMYTMCAQKR-UHFFFAOYSA-N 421.548 5.031 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)n1c(S)nc2ccccc21 8385788 HUSNMIXTZKTXJU-UHFFFAOYSA-N 416.675 8.227 30 40 HKEB N#Cc1ccsc1NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 9428988 VAEVCGIQRHTZJS-UHFFFAOYSA-N 417.519 5.037 30 40 HKEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc2ccccc2c1 14250806 BQBMWEWFUDDCHC-CCEZHUSRSA-N 415.496 6.043 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)[C@@H]1C(=O)CN=C(c2ccccc2)[C@H]1c1ccccc1 19203736 RQRCXSWMJGLQTL-GUYDGBRCSA-N 413.904 5.394 30 40 HKEB O=C(/C=C/Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccccc2)cc1 32100261 SHOVQOGIVCQNLD-OUKQBFOZSA-N 412.714 6.578 30 40 HKEB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F 32759150 URAJRUPTKCPLOY-UHFFFAOYSA-N 417.284 5.301 30 40 HKEB CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](O)CO 32840945 ZXNAIPHYBVMMPY-OPSAWKISSA-N 412.655 6.481 30 40 HKEB COc1cc(C)c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C(C)C 33618921 MVGXPGUBTUFPGI-QMSJJHEMSA-N 408.567 6.139 30 40 HKEB CCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CC(c2ccccc2)CC1=O 100146048 TUSSFDMKSUAZMJ-UHFFFAOYSA-N 414.549 5.297 30 40 HKEB CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 100242816 IXMSRPKKUNZTNL-MYYYXRDXSA-N 408.885 5.507 30 40 HKEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224944667 AWFABYKPJSAPLK-UHFFFAOYSA-N 400.327 5.162 30 40 HKEB C#CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557895 PHWGNXXRYBUZML-SFHVURJKSA-N 412.725 5.437 30 40 HKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)c(OC)c1 408721041 ISYHKDFVTVBQGK-BKUYFWCQSA-N 409.555 5.050 30 40 HKEB Cc1cc(/C=N/C2=C[C@H]3C(=O)c4ccccc4C(=O)[C@@H]3C=C2)c(C)n1C1CCCCC1 408739945 GXLJGIMFICMIFN-DWXWGCHJSA-N 412.533 5.794 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408939095 LSPDPMMRJBHDNW-FMFBFICYSA-N 424.544 6.589 30 40 HKEB CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409048029 QKQHAOUQDGLSQJ-UHFFFAOYSA-N 407.293 5.520 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409116289 NFJPSKHJMZQUBT-UHFFFAOYSA-N 418.493 5.831 30 40 HKEB CCN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c2ccccc21 409197591 JNHXIEGMFFTERY-BUVRLJJBSA-N 403.485 5.468 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)S/C1=N/c1ccc(F)cc1 409233551 GHFORBNYEQXAMU-RIUHWNRSSA-N 413.493 5.189 30 40 HKEB Cc1cccc(NC(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)c1 1402732 HTLJEXJSQYZLNX-AFUMVMLFSA-N 418.884 5.854 30 40 HKEB O=C(Nc1cccc(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl 3139294 MYIAPABUDPGGHK-BAQHSMLZSA-N 405.841 5.916 30 40 HKEB Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)oc2cc1C 3162831 PPVPAMIFPYYJSB-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2c3ccc4c(c3CC[C@@]21C)CCC(=O)/C4=C/O 5917541 WSXDVDYWXDOPKG-UYGYHSAISA-N 408.626 7.255 30 40 HKEB Fc1ccc(COc2ccccc2/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1 6926826 RRXUZZNGAAMFTN-OXUBWTJQSA-N 410.317 5.546 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 9370475 UKOTXBXCAZCXER-NRFANRHFSA-N 421.855 5.570 30 40 HKEB Cc1ccc(C#N)c(SCc2ccc(CSc3nc(C)ccc3C#N)cc2)n1 9970841 IFFADRBBSGAAEW-UHFFFAOYSA-N 402.548 5.421 30 40 HKEB C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1 13690143 VNPFNJUKPAQCJP-HSZRJFAPSA-N 424.541 6.334 30 40 HKEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1O 17719762 ACXUKMHZPUOYPO-XAFFKLEKSA-N 422.550 5.728 30 40 HKEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 20196085 ZAEAVTFPNQKACU-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 20763574 KOYFWWGMDTUCSZ-STBIYBPSSA-N 408.505 5.002 30 40 HKEB CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 97944408 HHUONVRRVABZBQ-KRWDZBQOSA-N 407.620 6.517 30 40 HKEB CCCCCCCCCCCCCCCCCCSc1ccc2ccccc2c1 100309653 LMIXQYAGWZATQI-UHFFFAOYSA-N 412.727 10.193 30 40 HKEB O=C1/C(=C\c2ccccc2OC(F)F)CCCC/C1=C/c1ccccc1OC(F)F 102957746 IRXPXLQZVVUOLW-JTFWXBGUSA-N 420.402 6.500 30 40 HKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 103805490 FCRDNJYLCIIJLF-AIQBXGKYSA-N 400.503 5.894 30 40 HKEB CN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118930572 FLTRILBCYUFBEW-CKMULDFVSA-N 405.582 5.509 30 40 HKEB CC(=O)c1cccc(NC(=O)CSc2ccc(/N=C/c3cccnc3Cl)cc2)c1 215718544 PVNWSVAEOOQRHV-DHRITJCHSA-N 423.925 5.419 30 40 HKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(C)c1 408931034 GGZXJRXZPGIGQV-OVVQPSECSA-N 416.521 5.170 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 408955282 WTJFVWZTDBZXQH-IBORXNHRSA-N 417.534 5.337 30 40 HKEB COc1cc(/C=N/c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409203677 XCZSFGFLHIUYGD-DHRITJCHSA-N 416.355 6.165 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(O)cc1 409300180 UZDSTQVFJQCMSP-UHFFFAOYSA-N 415.836 5.051 30 40 HKEB CCOC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C#N)c1C 957075 OGKZQVIJFMZFRL-BQYQJAHWSA-N 409.294 5.064 30 40 HKEB N#Cc1cc2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)nc2cc1C#N 2375794 SSRPSVZJYIZPJD-UHFFFAOYSA-N 401.256 6.014 30 40 HKEB C(=C/c1cc2c(cc1/N=C/c1ccccc1)N[C@@H](c1ccccc1)C2)\c1ccccc1 4235255 NNHUHSLDRWWVTG-FRTRIPLYSA-N 400.525 7.317 30 40 HKEB Cc1ccc(NC(=O)CCCC(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)cc1C 6488134 LHYHSUPHYHMEGW-MRXNPFEDSA-N 403.309 5.596 30 40 HKEB O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1cccc(Br)c1 16386120 VZYXMUQRRVWZMF-JLHYYAGUSA-N 423.266 5.480 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2Cl)cc1 17159789 RROVVWDTMRSTRF-HXUWFJFHSA-N 407.853 5.020 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)ccc1O 36624003 LWFIYCGPQQWUES-CWCGGEEQSA-N 418.537 5.438 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3sccc3C)sc3c2CCCCC3)cc1 101185176 KEWAXVQQALAOGV-ZVHZXABRSA-N 424.591 6.398 30 40 HKEB CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101444204 OBQBCHMEIBSHBO-UHFFFAOYSA-N 406.182 5.542 30 40 HKEB Oc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 103550456 OXXNMYXHSNTVAF-UHFFFAOYSA-N 424.181 5.213 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C 123236150 JGCBUDSKGHJASF-FUARUQEFSA-N 402.663 6.600 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 214208434 SXMGQKPGPOYYAX-DEDYPNTBSA-N 413.470 5.026 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 408707060 IZJNMRQVFKPUES-UHFFFAOYSA-N 411.384 5.425 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 408765466 PWABMAKGJXIHNA-RGEXLXHISA-N 422.531 5.721 30 40 HKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 408771208 DNEFBGCTZLHHPY-UVTDQMKNSA-N 410.326 5.324 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCC(C)C 408911789 OJYYZRKPOBMHRW-QMSJJHEMSA-N 424.566 5.662 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)NCc2ccco2)C1 409090362 MOOXRQPIYAEXII-MWQSPYHUSA-N 421.566 5.568 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 409207922 CPWMLVLFVBTVTB-HJQVIKLGSA-N 401.919 6.083 30 40 HKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409240493 KWUPKBFSCFKAPS-YZSQISJMSA-N 422.912 5.728 30 40 HKEB CCOc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1O 864710 MREKHARGQRKIKZ-DHRITJCHSA-N 402.450 5.672 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C#N)C1 2084141 PHYVZMTXNAZCQX-CYBMUJFWSA-N 416.974 6.075 30 40 HKEB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 2176785 SBKYIEOXAZMLJG-UHFFFAOYSA-N 419.525 5.433 30 40 HKEB Cc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 4893091 UMECPMNIUKOQJT-FRODBLILSA-N 420.534 5.660 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 5515201 UOYIJCNPGHBBEP-IZZDOVSWSA-N 403.787 6.442 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC 6048350 LGCVITUFKCMVGY-XBXARRHUSA-N 414.351 5.193 30 40 HKEB O=C1CS/C(=N\N=C\c2cccc3ccccc23)N1Cc1cccc2ccccc12 13596083 KPZVITNIDHLFHL-ICIUVLAYSA-N 409.514 5.459 30 40 HKEB Cn1cc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 28182469 QCAMHPUNGSPIBN-MSXFZWOLSA-N 415.876 6.027 30 40 HKEB N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 44087636 YAFYCGZMMNNSKJ-UHFFFAOYSA-N 404.720 5.571 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 59137096 YHXWPWMGSVAFLU-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB C[C@@H](Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O 59679581 NEMVPHZNHASQDE-QKIXXSFTSA-N 422.462 5.349 30 40 HKEB CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 97949664 FJDBUKHLSGQCLX-UHFFFAOYSA-N 409.658 8.781 30 40 HKEB CC(C)CCN1C(=O)/C(=N\Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21 100084305 NFRMQTPVPFJBRH-QJOMJCCJSA-N 410.732 5.856 30 40 HKEB COc1ccc(N/C=C/C(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1 100364554 IUFWHIIQQCCDEN-OUKQBFOZSA-N 411.860 5.875 30 40 HKEB C(=N/c1cccc(-c2nc3ccccc3o2)c1)\c1ccccc1OCc1ccccc1 100384122 YBBAHUSNFJPWAO-MTDXEUNCSA-N 404.469 6.824 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764638 PMQMIXTXKJSSMD-UHFFFAOYSA-N 420.896 5.087 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408847652 NXBNUTNBWMQWFD-YDZHTSKRSA-N 410.315 5.566 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)cc1 408911025 IOQRKACBPOYBBI-UINIZAEWSA-N 418.606 7.055 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2)S1 408961106 RBUJBPRJHBTHMH-MOSHPQCFSA-N 411.958 5.530 30 40 HKEB COc1ccc(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)cc1 408976415 ATMQZAZQKIWYPQ-UHFFFAOYSA-N 421.500 5.766 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O 409125537 ASOYCOUTTKFLFY-KQWNVCNZSA-N 420.578 6.364 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1C 409335058 NRVUCOBBYJZEDP-HAHDFKILSA-N 414.530 5.774 30 40 HKEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386792 RYOAHECANFRRNP-FMCGGJTJSA-N 423.494 5.391 30 40 HKEB COc1cc(OC)cc([C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)c1 1073735 FUBAHROPPZEQAD-SMIHKQSGSA-N 413.521 5.356 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 1433913 CLAUWUSTENODKO-FOKLQQMPSA-N 411.230 5.853 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1752537 FYBCQEOSHUFTDG-KRWDZBQOSA-N 412.580 5.131 30 40 HKEB Cc1ccc(CSc2nncn2/N=C/c2ccccc2OCc2ccccc2)cc1 1914494 PHYKRYDSLIWPOF-CVKSISIWSA-N 414.534 5.340 30 40 HKEB Cc1ccc2nc(-c3cc(/N=C/c4cccc(Br)c4)ccc3O)oc2c1 3140215 LEUBPJGTHXBVGQ-FSJBWODESA-N 407.267 6.022 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Br)s3)c2C#N)C1 3663117 FPUFNJCPPQXDCE-JYQBEENSSA-N 407.402 6.345 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2[nH]1 4310040 JSUSZTQAHMZNSZ-WUXMJOGZSA-N 416.502 5.466 30 40 HKEB biogenic,in-vitro O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ncccc13)N2 4615530 LFOKAOMWLKUCCW-HXUWFJFHSA-N 405.295 5.562 30 40 HKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1C1CCCCC1 4695523 RDUZMAKMZTYQLF-NVTWWLNUSA-N 412.942 5.982 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 6245904 DRVGHOIREPWEJL-VWLOTQADSA-N 404.510 5.392 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc2c1 6554904 XLCYDEVTCOAUMV-PVLQNKMRSA-N 415.449 6.373 30 40 HKEB CC/N=C1/S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1CC 6634097 OHWWLJQLWNZTIB-FMIVOPDJSA-N 405.317 5.021 30 40 HKEB CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)Nc1ccccc1 8214550 UYXUGCPDSUDDGI-UHFFFAOYSA-O 418.646 5.081 30 40 HKEB in-man C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nc2ccccc2c1=O 9588139 DUGZBWAFQCYTSW-UHFFFAOYSA-N 421.547 5.007 30 40 HKEB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1sccc1C#N 9779725 CSIPBHFGECVWIV-GFCCVEGCSA-N 422.560 5.411 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 11650879 QTQKEFFGENFNHQ-NSHDSACASA-N 407.326 5.043 30 40 HKEB CC(C)(Sc1nc2c(cc1C#N)CCCC2)C(=O)Nc1cccc(Cl)c1Cl 13578798 DYXLCVJFIXMJCG-UHFFFAOYSA-N 420.365 5.648 30 40 HKEB COc1cccc(N2C(SC)=N/C(=N\c3ccccc3C)[C@]23CCOC(C)(C)C3)c1 13775295 RSEJIHFGVQZALN-VHBBHFJJSA-N 423.582 5.601 30 40 HKEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 15906322 XTAJGMAYZBEKLD-NJNXFGOHSA-N 405.970 5.596 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)n1ncnc1N2 18197933 ANYNUZQAHZVHMO-CYFREDJKSA-N 424.529 5.422 30 40 HKEB CCOc1ccccc1/C(O)=N/c1c(NC2CCCCC2)c2ccccc2oc1=O 21155935 LROFMTNCJDUISZ-UHFFFAOYSA-N 406.482 5.573 30 40 HKEB CN(C)c1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCS2)cc1 68590805 MLEIJDJQGNDHMM-SDNWHVSQSA-N 409.576 5.300 30 40 HKEB O=C(/C=C/Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc(Br)cc1 100245448 NHMDIPUTCUGJRG-CQBAGECTSA-N 406.283 6.673 30 40 HKEB CCCCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc12 138292120 CRPYFEOMDWOCSI-UUFRBJCLSA-N 408.548 5.893 30 40 HKEB O=C(Oc1cccc(/C=N/c2ccc(F)cc2)c1)c1sc2ccccc2c1Cl 408734029 VBMAWHZNMDJTDI-DHRITJCHSA-N 409.869 6.664 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1 408806790 BTJYFTSPHYXZCY-KSEXSDGBSA-N 403.265 5.032 30 40 HKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408851629 DROUXPQCAHTDFL-UHFFFAOYSA-N 400.099 5.876 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)S2)cc1 408889341 CSECEXLSZONHCO-HAHDFKILSA-N 414.530 5.774 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccccc3F)sc1C2 409044107 AWOYTWPTEZWIEH-ZVBGSRNCSA-N 403.276 5.375 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409076970 CTTDZDBWZAENBO-JFLMPSFJSA-N 403.522 5.706 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCC 409212234 OEHYINACXBKEBS-CIAFOILYSA-N 423.294 5.456 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 409212531 MYAGLEUKTNMGPA-VULFUBBASA-N 406.913 6.033 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc([N+](=O)[O-])cc1 799208 MAZNUCPMZDEXFT-UHFFFAOYSA-N 415.396 5.840 30 40 HKEB Cc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2c1 1222318 RFFSKZIGFWTIJM-UHFFFAOYSA-N 409.514 5.872 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 2646997 NIUFXTDRAKRWCF-UHFFFAOYSA-N 416.937 5.811 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 3235101 UCCPJKQGVCHHKA-NHFJDJAPSA-N 414.814 5.966 30 40 HKEB Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(NC(=O)c3ccccc3Cl)c1)CC2 3303158 GFDDVEFLUMKGQN-XMHGGMMESA-N 415.920 6.422 30 40 HKEB CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4898890 WHXYRHUKHGMFFF-XHSKXDHISA-N 401.535 5.474 30 40 HKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1 4944870 CKERWTNOGNCPBP-IBGZPJMESA-N 423.484 5.007 30 40 HKEB COc1ccc(C2=C(N3CCN(c4cccc(C)c4C)CC3)c3ccccc3C2=O)cc1 6793399 CWDOSSXWTYUPAV-UHFFFAOYSA-N 424.544 5.199 30 40 HKEB C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1)C1CCCCC1 8385884 ROQKCMZTVHXMTC-JKHIYUEESA-N 424.929 5.192 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 8431749 SJQZBTCSAPCETB-UHFFFAOYSA-N 412.624 6.058 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccccc1[N+](=O)[O-] 8559410 MIZQTMHBGVLQGW-QKFKETGDSA-N 414.465 5.035 30 40 HKEB N#Cc1c(NC2CCCCC2)nc(N2CCCCC2)c2c1CCN(C1CCCCC1)C2 13564605 DAZXNUOSUPVSKM-UHFFFAOYSA-N 421.633 5.379 30 40 HKEB CCCCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 16732273 IHXSNHYRNXZERE-UHFFFAOYSA-N 415.278 6.294 30 40 HKEB Cc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162483 IBYNKCAJVKVCKF-NGYBGAFCSA-N 419.500 5.335 30 40 HKEB CCCCCCCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 97960072 SZHGYHOKOJZYLS-UHFFFAOYSA-N 416.433 7.190 30 40 HKEB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2cc(Cl)cc(Cl)c2)cc1 100143799 XORQAJWXJDMMGA-FSJBWODESA-N 417.317 7.112 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2cccc(F)c2)c1O 100222697 LABADKMSEVWJFM-UVHMKAGCSA-N 419.374 6.492 30 40 HKEB O=C1/C(=N/Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 100391870 ROQFRYUUMFDXAI-LKUDQCMESA-N 409.276 5.212 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 102865469 XSNPHSQMFQZBPF-MRJHHRETSA-N 421.855 5.414 30 40 HKEB C/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1c(OC)ccc2ccccc12 103371721 KQAURTBGXSKRTE-VJZIHCETSA-N 413.502 5.537 30 40 HKEB CCCCCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706600 AHCNKMKFSMNAHE-UHFFFAOYSA-N 408.586 5.192 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(Cl)c(C(=O)O)c2)cc1 408961038 QDWUOYLXRCCEPK-MSXFZWOLSA-N 409.825 5.066 30 40 HKEB CCCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 409080876 OFJQTAWRRVYGBD-CUHSDLGESA-N 414.530 6.284 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F 409081302 KIWAKXBESADYGY-UYRXBGFRSA-N 407.828 5.403 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C)cc1Br 409100720 WMHFUAASSRILLO-XKZIYDEJSA-N 403.320 5.126 30 40 HKEB F[C@@H](C(F)(F)F)C(F)(F)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806430 XUXYPWUEHKOSJJ-VKHMYHEASA-N 414.108 5.560 30 40 HKEB FC(F)(F)C(CCOc1ccccc1Br)(C(F)(F)F)C(F)(F)F 1083809795 KAIHTPHPPYUSQL-UHFFFAOYSA-N 419.081 5.891 30 40 HKEB CCC/N=C1\S/C(=C\c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C 1772768826 KZNIDEPMBGHFQK-PZUCIDFCSA-N 408.523 5.116 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 1077086 PFEPNBKIRPUXAR-DWXRJYCRSA-N 414.936 6.628 30 40 HKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccccc1)CCCC2 2351029 HMFGEOCRTINJDK-UHFFFAOYSA-N 418.949 6.127 30 40 HKEB C=CCSC1=N[C@@]2(C[C@@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)CC(C)(C)N1 4160195 OYESSJDMWWZZCH-MHECFPHRSA-N 424.566 5.064 30 40 HKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 5196766 DMGPICJMVNNGNF-GRSHGNNSSA-N 403.286 6.250 30 40 HKEB C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 5544603 HJYHIVDEGRQUQZ-VDBMQTAQSA-N 415.876 6.817 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 6361835 XKPHIJLPLRJAHW-UHFFFAOYSA-N 418.497 5.154 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 9272738 VFIBWICGSQNQLX-FQEVSTJZSA-N 424.283 5.776 30 40 HKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 11868896 MILZAZAPWWPXSX-MTJSOVHGSA-N 424.811 5.323 30 40 HKEB C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)cc2)c1=S 16769567 JAOUAZUGSBJIKI-UHFFFAOYSA-N 424.595 5.148 30 40 HKEB Cc1nn(-c2ccc(Br)cc2)c(Cl)c1/C=N/Nc1ccc(Cl)cc1 17093757 SHJPLFCCICZLRG-UFFVCSGVSA-N 424.129 5.696 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 19801976 PRYIJAGAEJZDBO-VINYQDLDSA-N 402.663 6.600 30 40 HKEB biogenic,in-vitro O=C1C(c2ccccc2)=C(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 20509799 JSSZOELNUHVHCU-UHFFFAOYSA-N 400.909 5.227 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)ccc1O 100870596 LWFIYCGPQQWUES-QETUKFFDSA-N 418.537 5.438 30 40 HKEB CCCC/N=C(C(=N\CCCC)/N(CCCC)CCCC)\N(CCCC)CCCC 104152840 JNLYNDPJNVTJSG-ZQZMJUSDSA-N 422.746 7.188 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OCC)c1OC 214638047 IVKZDNDKRVIWLG-KGENOOAVSA-N 423.534 5.367 30 40 HKEB C=CCOc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610551 HJIFQKICBMCETO-UHFFFAOYSA-N 407.004 5.515 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1 408817760 YKCRRFPGQRGOHI-IWIPYMOSSA-N 423.541 5.890 30 40 HKEB Cc1nc(N)c(C#N)c(-c2cn(Cc3ccccc3)c3ccccc23)c1-c1ccccc1 408979251 LTMBQDWAEGBIKZ-UHFFFAOYSA-N 414.512 6.181 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1C 409210617 KHYLOOOEIRWEDU-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OCC 409211343 LOPVUUYTEBFCAS-LGMDPLHJSA-N 409.935 5.530 30 40 HKEB Cc1ccc(Cl)cc1/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409213796 QWSFVKUEIWQTBY-UUYOSTAYSA-N 411.801 6.008 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 2049238471 YRJDKDJYIUMOKX-GOMSDNTOSA-N 420.593 5.354 30 40 HKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)c(OC)c1 718226 NHSZDZJECDSBPQ-XMMPIXPASA-N 400.478 5.125 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(F)cc1 2346522 UWWCWQMHHBEPJO-UHFFFAOYSA-N 410.518 5.124 30 40 HKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 4826800 HSCVTIFXJHAWAA-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB Cc1cccc2cc3c(nc12)S/C(=N/c1ccc(F)cc1)N(C1CCCCC1)C3 4861351 WMZQEBWIBCABBI-SHHOIMCASA-N 405.542 6.610 30 40 HKEB COc1ccc(/C=N/Nc2ncc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 4979662 ZVMDNYIKECIBHZ-AUEPDCJTSA-N 411.870 5.025 30 40 HKEB CC(C)c1cc(N2CCC(Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 5219722 GHSODSIKLOGPIJ-UHFFFAOYSA-N 408.549 5.942 30 40 HKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3ccc(O)cc3O2)N1 6232578 TZYZVFHMXGIUPT-IIBYNOLFSA-N 400.569 5.112 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)c(F)c2)cs1)c1cccc(C)c1C 12975236 ODJYWSXYGGQLSM-CSKARUKUSA-N 412.461 5.619 30 40 HKEB CCc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 17167653 LAKZQTVFEBEDLI-HFKUHOGPSA-N 416.590 6.742 30 40 HKEB COc1ccccc1/C=C/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 20064982 TZGWMQUPMCHRJQ-POGUPQBGSA-N 409.533 5.082 30 40 HKEB CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2 22808503 GYFZEUWURAVAFQ-UHFFFAOYSA-N 419.575 5.152 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1ccc(O)c(CN2CCCCC2)c1 31872010 VGGDXIXJVYYRAS-YHARCJFQSA-N 421.968 6.252 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 50704703 PLHQPDCORQTACY-UHFFFAOYSA-N 424.592 7.623 30 40 HKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1 59514534 MHOUWDDRVSBIEN-KGENOOAVSA-N 420.921 5.811 30 40 HKEB O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)/C=C/c1c(F)c(F)c(F)c(F)c1F 101003596 JBSHCVPSXHZNOJ-ZPUQHVIOSA-N 414.198 5.373 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1Br 408759872 NGMKZPZPUXJPTB-FSJBWODESA-N 401.735 6.569 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1C 408775168 FRBCWIJIIJFFMW-YUMHPJSZSA-N 418.562 5.625 30 40 HKEB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)Sc2ccccc21 408848053 WTJDFOHMVLLTRZ-NHDPSOOVSA-N 413.325 6.902 30 40 HKEB O=C(NCc1ccco1)c1c(/N=C\c2cccc3ccccc23)sc2c1CCCC2 408855314 CCEZXZRMWUFTTP-DICXZTSXSA-N 414.530 6.054 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccccc2Cl)cc1 408980202 PTYLFJLICFUOSN-UHFFFAOYSA-N 411.892 6.102 30 40 HKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(C)cc1 409113871 JFTRBHIAUOVHSK-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1Cl 409217315 OYOYQGNBWIZECU-CFRMEGHHSA-N 414.730 6.741 30 40 HKEB CCCCc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)s1 585294834 KRBVVZUFPKDRNE-HSZRJFAPSA-N 417.582 5.833 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 658131 ZWJJLIPCYDQSEP-QGZVFWFLSA-N 412.580 5.213 30 40 HKEB O=C1CCCC2=C1C(c1ccc(OCc3ccccc3F)cc1)C1=C(CCCC1=O)O2 718346 LMSKFFORTXTXLR-UHFFFAOYSA-N 418.464 5.533 30 40 HKEB COc1ccc(-c2cs/c(=N/N=C/C=C/c3ccccc3)n2-c2ccccc2)cc1 3768254 HILUODOUJOURGL-FIQAPGBDSA-N 411.530 5.814 30 40 HKEB CCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 4858989 BLIDRERYTIKONQ-OCOZRVBESA-N 419.550 5.454 30 40 HKEB Cc1c(Cc2ccccc2Cl)c(NC2CCCC2)n2c(nc3ccccc32)c1C#N 5454677 ZHYWVIQRWSGGEU-UHFFFAOYSA-N 414.940 6.266 30 40 HKEB CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C#N)cc1 9699194 WLWNUYUOGNHTMJ-UHFFFAOYSA-N 424.957 5.025 30 40 HKEB Cc1cc2c(cc1Br)NC(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 12446976 SJCYSPVQVUTLRT-UHFFFAOYSA-N 407.267 5.623 30 40 HKEB CCc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 12465805 DNCVZSRWGTUUNM-LISDSOCTSA-N 422.937 6.396 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13407564 VUCDSTCRVYGRSG-OIGQCZOKSA-N 400.647 6.568 30 40 HKEB COc1ccc(C(=N/Nc2nc3ccccc3s2)/N=N/c2ccc(C)cc2)cc1 15938251 AXNJZUWEIQVIGU-VVEBWWBVSA-N 401.495 6.171 30 40 HKEB Cc1ccc(S(=O)(=O)OC[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1 17428021 RHORZYHFLYVMIY-HXUWFJFHSA-N 421.345 5.839 30 40 HKEB Cc1sc2nc(SCc3cn4ccccc4c3C#N)n(C(C)C)c(=O)c2c1C 48300659 PUCBBPQDDCVZJF-UHFFFAOYSA-N 408.552 5.072 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59247756 VDOIJJTVCRSGTQ-AXNZHVIBSA-N 417.505 6.237 30 40 HKEB N#CCCSc1ccccc1NC(=O)c1ccccc1SCc1cscn1 95944764 WPHJGHCTETXSJP-UHFFFAOYSA-N 411.577 5.693 30 40 HKEB CCCCn1c(/N=C/c2cccs2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176704 GSIPUSQVLVJCKT-TURZUDJPSA-N 409.558 7.306 30 40 HKEB Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N\OC(=O)c1cccs1)CC(C)(C)C2 100931438 QHMARXIYQBXHPB-XYGWBWBKSA-N 422.506 5.435 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 106702568 FTWBESJULAAGKF-STZFKDTASA-N 409.507 5.195 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 408592706 NMGJLFAIEDUEQA-JFLMPSFJSA-N 420.896 5.740 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408851050 VDZXXWAIAABFGI-IXORVSQSSA-N 418.493 5.755 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1C 408992145 SCNZJMJCKDVBRX-WMOWQXFYSA-N 400.503 5.812 30 40 HKEB CC(C)(C)c1csc(N/N=C/c2ccc(OC(=O)c3c(F)cccc3F)cc2)n1 409009203 BZDRKZSYDYYPFT-BHGWPJFGSA-N 415.465 5.384 30 40 HKEB Cc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1C 409010738 DJGNVRGEDINBQJ-NZBFAAGASA-N 406.482 5.936 30 40 HKEB CC(C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409045263 IICMRNPZGXVWJD-MUDSWDHVSA-N 415.136 5.495 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1cccc(Cl)c1Cl 409080626 LZKRJUNDPPDKLI-ZMFRSBBQSA-N 400.349 6.917 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409211113 HVHODCWDEDGHFG-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409212708 PSSJADZOTUDLIX-SMSCYPBYSA-N 423.376 5.103 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4Br)ccc32)c1 409220547 BHIMLUFJAWDDKU-AFUMVMLFSA-N 407.286 6.342 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)o1 409385641 IRPXMPFDIWFRGZ-RWPZCVJISA-N 419.396 6.554 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn23)c(Cl)cc1Cl 809163 NYHUXRGVEFREFS-UFFVCSGVSA-N 401.209 5.560 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\C(Cl)=C\c1ccccc1 2353638 FCGHOAVWOZSLJQ-FFFDIUGGSA-N 409.729 5.654 30 40 HKEB CCOC(=O)c1c(NC=C2C(=O)CC(C)(C)CC2=O)sc(C)c1-c1cccs1 2648409 IHSMSCUWLLVGHG-UHFFFAOYSA-N 417.552 5.216 30 40 HKEB COc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 5555390 FTZMOZCDVJZZSN-HMMYKYKNSA-N 415.445 5.277 30 40 HKEB biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C)cc2)cc1OC 12576009 CCITVKHSPOINNQ-FYWRMAATSA-N 424.500 5.761 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccccc2F)c1 13816462 DGYXIHPEHVTVJI-RSOBRIFHSA-N 413.448 5.317 30 40 HKEB Cc1ccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 16292034 WYWFVBOBTVSSJS-HXUWFJFHSA-N 409.316 6.518 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 18194599 UQNBLTBLPQKNME-OSTCOYIHSA-N 411.932 7.063 30 40 HKEB N#C[C@H](CNc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 26895925 IFJQZHNOIGXVJC-GOSISDBHSA-N 407.311 5.747 30 40 HKEB Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1F 59105947 AGRRPFPWBOFADO-UDWIEESQSA-N 409.461 5.264 30 40 HKEB S=c1ss/c(=N\C(=N\c2ccccc2)c2ccccc2)n1-c1ccccc1 100080911 FJPXMHIJROTFCE-JMALZQNKSA-N 405.573 6.009 30 40 HKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(=O)c1ccco1 102946010 FAVBUVZLFKIOOH-CIAFOILYSA-N 400.228 5.021 30 40 HKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[C@@H]1c1nccs1 107885625 ICGXJAYKIUSFHN-ZJVAWHCLSA-N 421.330 6.128 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccccc1OCc1ccccc1 408751807 BYVXEEVRJKQVMV-KGENOOAVSA-N 420.921 5.811 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2cccc3ccccc23)sc2c1CCCC2 408766227 AHYWOVDNPDHWNK-MIXAMLLLSA-N 424.569 6.461 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCC(C)C 408989409 KPOQHODCTIJNLS-BKUYFWCQSA-N 410.539 5.320 30 40 HKEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409049910 YOZBJZQEFKESPN-VCHYOVAHSA-N 418.301 5.242 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Sc4ncccn4)o3)c2C#N)C1 409101226 WJFUDZFQHIEVBT-WOLHVBPDSA-N 422.579 6.056 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 658133 ZWJJLIPCYDQSEP-KRWDZBQOSA-N 412.580 5.213 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc12 1435357 AKMUWRPMJHMQBQ-FSJBWODESA-N 407.267 6.022 30 40 HKEB Cc1cc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(Cl)c(C)c2)ccc1Cl 1851941 YWBMTQTYXUUDGY-UHFFFAOYSA-N 409.272 6.938 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccccc1OCC(F)(F)C(F)F 3127103 OQEQJXXQQMWREQ-GZIVZEMBSA-N 406.173 5.185 30 40 HKEB C[C@@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccccc1Br)c2C#N 3227433 OPDNNSLJIXUEQC-LLVKDONJSA-N 403.345 5.710 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)c(Cl)c1 8811287 PVWBVVNUKZIKDX-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C1CC1 14245136 RMEKWIQSKYSZHY-UHFFFAOYSA-N 413.550 5.487 30 40 HKEB CC1[C@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@H]12 33928956 SOTMWCFQLUSXKP-PSKFWPKQSA-N 415.503 6.062 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 102501814 WCIGGWDFDRUAQL-YDJIHCHBSA-N 418.518 5.003 30 40 HKEB CCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525928 WULPULDVUJINDV-UHFFFAOYSA-N 402.385 8.156 30 40 HKEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1OC 104155959 ASVKVSCHJAVJQM-OAQYLSRUSA-N 415.489 5.482 30 40 HKEB CCOc1cc(/C=N\O)cc(Br)c1OCc1cccc2ccccc12 104698699 ZUHFTTYKQUOKNR-UUYOSTAYSA-N 400.272 5.388 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408691804 QWMLFPCIIYVWRU-FOWTUZBSSA-N 408.497 6.632 30 40 HKEB C=CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409093371 ZFTJEBGHWINYQM-FLOSOGMCSA-N 401.579 6.662 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409136672 SRAWIFUEWTVAJW-PXLXIMEGSA-N 414.486 5.487 30 40 HKEB C=CCn1c(C)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409386497 LXIDSMUMHRENKS-LQKURTRISA-N 421.456 6.871 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 1052336 XMAZJQUIDCYNMM-FSJBWODESA-N 407.813 5.816 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(Br)cc1Br 2081538 ZTYOZYCGNUQDQH-UHFFFAOYSA-N 405.174 6.291 30 40 HKEB CS/C(=N/C(=C1c2ccccc2-c2ccccc21)c1ccccc1)c1ccccc1 4480926 VUCTUWWTWBLEEL-ZQHSETAFSA-N 403.550 7.393 30 40 HKEB COc1ccc(-c2nnc(S)n2/N=C\c2c3ccccc3cc3ccccc23)cc1 4679657 QXEDDNFPEDMUTB-MYYYXRDXSA-N 410.502 5.431 30 40 HKEB CN(C)c1ccc(/N=N/C(=N\Nc2nc3ccccc3s2)c2ccccc2)cc1 5003199 VUDVIZYUGMAEPG-VVEBWWBVSA-N 400.511 5.920 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1cccc(C(F)(F)F)c1 8857400 WQMHBSURCPRPTB-UHFFFAOYSA-N 424.369 6.809 30 40 HKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 9177570 JSPCXERLNQUOND-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1O 15018363 WFBKTAVQGDSSCN-MZHDSZJTSA-N 416.502 5.600 30 40 HKEB COC(=O)Nc1sc(N/N=C\c2cccc3ccccc23)nc1-c1cccs1 31829205 ACAYCGAPVKZUQP-MTJSOVHGSA-N 408.508 5.649 30 40 HKEB CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cc1 32922437 AHKXIFHZJTWHOZ-LFYBBSHMSA-N 421.522 5.148 30 40 HKEB COc1ccc(C2=NN([C@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 102960411 HBUVNOADDUOJFD-BJKOFHAPSA-N 412.449 5.019 30 40 HKEB O=C(O/C(=N\c1cccc2ccccc12)c1nccc2ccccc12)c1ccccc1 104094143 BNLGBTZQLKKEMV-WCTVFOPTSA-N 402.453 6.323 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(C)c1 104143972 XTMXOAFFELFOML-UHFFFAOYSA-N 416.694 8.686 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408874874 BQNSAOXSMHDAHE-NHDPSOOVSA-N 417.921 6.175 30 40 HKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 408914311 NUJFZAZAGTXRPG-FNXXDVGZSA-N 404.535 5.410 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)Nc1c2ccc2ncccc12 1440568 XOKDIAQXENWDNU-OAQYLSRUSA-N 405.295 5.671 30 40 HKEB O=C(C(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 1637479 RZCUXUAUWUQNHN-UHFFFAOYSA-N 420.921 5.276 30 40 HKEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2F)cc1 2221503 OAIQLBBGYPWTSS-UHFFFAOYSA-N 416.481 5.246 30 40 HKEB CCCCCCCCCCSc1nc2nc(C)c(Br)c(O)n2n1 3148255 KQIGTSBOODQWEE-UHFFFAOYSA-N 401.374 5.134 30 40 HKEB CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 4117315 KRYNRGNGULVGHD-FTNPDODUSA-N 405.567 5.689 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N\c2cccc(Cl)c2C)NC1=O 4704889 MZVSCMGODOBODG-MOSHPQCFSA-N 411.958 5.449 30 40 HKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1 4944871 CKERWTNOGNCPBP-LJQANCHMSA-N 423.484 5.007 30 40 HKEB C/C(=N\OCc1ccccc1Br)c1cccc(N2Cc3ccccc3C2)c1 8781586 SOYAVTBHDKDLRE-KOEQRZSOSA-N 421.338 5.910 30 40 HKEB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C#Cc2cccs2)c1 13015659 DTHSLFZEYGUTOZ-XMMPIXPASA-N 412.514 5.051 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1 59145705 BBLFOMAAASVWQC-STZFKDTASA-N 420.921 5.811 30 40 HKEB COc1ccc(Cl)cc1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59433552 ARWHKBMBMXIUQC-RIYZIHGNSA-N 413.713 5.547 30 40 HKEB CCc1nc([C@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc1C 71820777 WFNATYSQLHBDPH-LLVKDONJSA-N 409.458 5.441 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N 118932307 AGLFPKUPDNYHTN-CFKMZVRZSA-N 409.574 5.534 30 40 HKEB C=CCSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 225461530 AERCKLALWFJFHF-UHFFFAOYSA-N 417.943 5.301 30 40 HKEB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 263612089 XURCMZMFZXXQDJ-HMUDODNISA-N 414.586 5.580 30 40 HKEB CCN(CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 408547570 ZAVJTEZNXDUQKR-UHFFFAOYSA-N 421.500 5.950 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O 409096065 JESBFKKICGJOHA-KGENOOAVSA-N 409.507 5.195 30 40 HKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2Br)cc1 409213694 VJFPTFJYZJCMSE-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C 409217017 QULYVNQTVWLNFW-KEBDBYFISA-N 411.137 5.978 30 40 HKEB C#CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 409218461 VJCQCSFIGJCCKM-YZSQISJMSA-N 405.881 6.294 30 40 HKEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1cc2ccccc2o1 658336 UUASBTMWUIPXGB-UHFFFAOYSA-N 419.506 5.381 30 40 HKEB COc1cccc([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c1OC 4944846 QSOZTYQEPROBGH-GOSISDBHSA-N 419.521 5.176 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 4993295 SFZWMJQKPQCPSX-QHCPKHFHSA-N 418.512 5.377 30 40 HKEB C/C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C2CCCCC2)cc1 5480222 VDQORWQUCJGQPT-AFUMVMLFSA-N 405.325 7.014 30 40 HKEB O=c1oc2ccccc2cc1-c1csc(N/N=C\c2ccc(Cl)cc2Cl)n1 13809706 AZEYKWGBQPOURL-AFPJDJCSSA-N 416.289 5.669 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1 17092951 XROOSQYDWXEWAK-LLVKDONJSA-N 422.381 6.722 30 40 HKEB COc1ccccc1CN/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 20762125 LMVBCFVHUOIWDM-JFLMPSFJSA-N 403.913 5.475 30 40 HKEB CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797221 MKMHRJOOTVQGPG-XMMPIXPASA-N 419.525 5.492 30 40 HKEB Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 21722486 ULYXVPJNUHSZQJ-VWLOTQADSA-N 400.547 6.237 30 40 HKEB CC(C)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 33793221 RWWPLANHRNFNMR-CTVDDJEBSA-N 414.633 8.426 30 40 HKEB O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 33821578 FLHVPPZLQKSDTD-UMUYUUQJSA-N 401.535 6.105 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 97953094 PGJPWVISHUFCPW-UHFFFAOYSA-N 416.525 5.592 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/c1nc2c(s1)CCCC2 101017576 KAMPJJBCFMYXJZ-REZTVBANSA-N 416.138 5.003 30 40 HKEB CN(C)c1ccc(/C=N\c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)cc1 101445005 LWZIHSFJDJCOMQ-YKQZZPSBSA-N 400.525 6.490 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 409051384 CYRQDULNQSVIDG-JWGURIENSA-N 418.518 5.251 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1C 409211673 MOIJGDRINSFVLN-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB O=C(CO/N=C\c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccccc1 409376931 CCJFKLBBPUTWDY-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1OCC(=O)c1ccc(F)cc1 1036648 HKFNHYFBGSGUBS-UHFFFAOYSA-N 404.422 5.343 30 40 HKEB O/C(CCc1cn(Cc2ccccc2)c2ccccc12)=N\c1nc(C(F)(F)F)n[nH]1 1074163 SSRBMFHIEGZLHP-UHFFFAOYSA-N 413.403 5.047 30 40 HKEB C=CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 2182369 FHAKWBCAKKOAIV-CYBMUJFWSA-N 402.585 5.129 30 40 HKEB Oc1ccc(-c2ccccc2)cc1/N=C/c1cc(Cl)cc(Br)c1O 3033549 JHAXGYHGTAFMGE-SSDVNMTOSA-N 402.675 5.931 30 40 HKEB CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)cc1 4848980 URAFUAKLTDKCFJ-UHFFFAOYSA-N 403.507 5.163 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 5020911 AEQNCCCLQRJGBW-ZVBGSRNCSA-N 408.310 5.580 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3cc(Cl)cc(Cl)c3)N=C2O)c1OC 6848462 FTIRWJCUWNCXMC-UUASQNMZSA-N 409.294 5.743 30 40 HKEB Cc1cc(O)c(CN2C[C@@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 13654049 YUNMJVNLVISFQA-IHBCXDABSA-N 417.505 5.541 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)n1ncnc1N2 18197935 ANYNUZQAHZVHMO-DVECYGJZSA-N 424.529 5.422 30 40 HKEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 24832258 LQZFFKODMWUUDY-UHFFFAOYSA-N 408.841 5.030 30 40 HKEB O=C(/C=C\c1cccs1)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 33376617 TYJBEXCITSBMSZ-QXMHVHEDSA-N 402.393 5.882 30 40 HKEB Cc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1 54430313 DAHXRRZBSZZARD-SFHVURJKSA-N 416.278 5.344 30 40 HKEB O/N=C1/CCCCCCCCCC[C@@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100964965 HNHRLOUSSCBLKF-JSIHEXFSSA-N 406.998 5.737 30 40 HKEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 102958591 IMEZYAPHVFZHTJ-VHAJSEAWSA-N 415.518 5.160 30 40 HKEB O=[N+]([O-])c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103596346 RGOZNZUAXTXBNG-UHFFFAOYSA-N 421.162 5.077 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 104194566 UYDPILZJQZLNCG-ZHHPLPSFSA-N 412.489 5.140 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 408910082 JAXAHOFONYKQOP-YSMPRRRNSA-N 412.449 5.476 30 40 HKEB CC(C)n1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531384603 ITYIHDCZUIWREC-JVWAILMASA-N 406.489 5.481 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)cc1OC 2103203 NXEUYKZVRRLROW-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic C=CCn1c(SCc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 3047373 HNSLUYGXTLEGHX-UHFFFAOYSA-N 416.977 7.349 30 40 HKEB CSc1cc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1C#N 3105315 HFBHKXZNPYERGM-UHFFFAOYSA-N 400.425 5.176 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/c4c(O)ccc5ccccc45)ccc3O)oc2cc1C 3144695 YZPFEESCNAGBLQ-MZJWZYIUSA-N 408.457 6.427 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccc(C(=O)O)cc1 5394910 UFQJYHFKICOUBG-UHFFFAOYSA-N 404.369 5.223 30 40 HKEB CCOC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 8451082 MCIBCBVVHOTSLW-UHFFFAOYSA-N 424.488 5.095 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1cccs1 9282123 SIUASYJEXXLZHD-MFOYZWKCSA-N 417.269 5.890 30 40 HKEB C=CCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 98181728 WSTJGDVRPQAMSC-VWLOTQADSA-N 407.510 5.505 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=S)Nc1ccccc1N=C2c1ccccc1 101631196 MCKQCLVRAHFNIZ-UHFFFAOYSA-N 422.488 6.648 30 40 HKEB CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+]1(C)CCCCC1 104122586 ZDGZLKSNRRLPHM-ZHACJKMWSA-O 407.707 6.771 30 40 HKEB COc1ccc(N/C=C2/C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1 104127240 GOSOFAONCKLXHN-LCYFTJDESA-N 404.249 5.422 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cc(Br)c(N(C)C)o3)cc2)cc1 408850221 IOQWXXZJDYIEKW-LPYMAVHISA-N 415.287 5.660 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408937934 JZUKMPAEQXFGOQ-QAJCSVGLSA-N 406.529 6.829 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 409087297 YGEZHVCNOPSMBV-IAUUDGPGSA-N 412.986 6.723 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Br)c(Cl)c1 409246040 CZNOCPQFGOABGG-LPYMAVHISA-N 407.739 5.852 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(F)cc2)cc1 1461567 PVQMZRZNJPODHU-NIYFSFCBSA-N 423.491 5.900 30 40 HKEB Oc1cc(/N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2o1 2756825 GWDRXPAIPODTTP-UMKNWRDPSA-N 409.272 6.923 30 40 HKEB Cc1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)n(-c2ccccc2)n1C 3010605 JDXZSBJLUYWVPG-JVWAILMASA-N 419.569 5.536 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 4889375 XIHYHVVFWMMUCK-FTTRISJGSA-N 417.534 5.093 30 40 HKEB Cn1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 5185024 JRCHWTANWKIALW-SXGWCWSVSA-N 402.306 5.377 30 40 HKEB C/C(=N/NC(C)(C)C)c1sc(-c2nc(C)c(/C(C)=N/NC(C)(C)C)s2)nc1C 5810428 MFAQJIFLGBBOEF-NQGGHMMCSA-N 420.652 5.108 30 40 HKEB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 7781704 FDNGZAIOYKCAJI-SFHVURJKSA-N 416.546 5.659 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccccc2Cl)C1=O 9434414 CEMJCHYYKZPYOZ-WJDWOHSUSA-N 403.862 5.023 30 40 HKEB N#CCCN(c1ccc(/C=N/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 17215677 CAIIALRYULFLOG-KOEQRZSOSA-N 423.925 5.200 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 21961297 IEKJHJQWBSYNMJ-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB Cc1nc(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c(C#N)c(C)c1C 23078509 OAPHPVRDJZRVJD-IINYFYTJSA-N 424.595 5.155 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2/C=C/c1ccccc1[N+](=O)[O-] 24543284 YVVAJUYYKCXBNR-VSFZPWCASA-N 424.500 6.614 30 40 HKEB CC(C)(C)C(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 34888902 GRONKESKVLEQQO-YPAWHYETSA-N 415.924 5.482 30 40 HKEB C=CCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 60364743 MWAYQMJRGPCDMJ-CQSZACIVSA-N 411.354 5.595 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)c(C)c1 83309685 YTPYXDUVXKXXTG-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB CCCCCCCCc1ccc(N[N+](=O)c2ccc(CCCCCCCC)cc2)cc1 100501953 WNGPODKLXRROEA-UHFFFAOYSA-N 423.665 8.930 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 214627647 SLTVTVAAAYFUOY-KGENOOAVSA-N 409.507 5.195 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N1CC 408929783 OCROHBPFCDYZHN-UQRBVYKBSA-N 403.551 5.559 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 408939546 SVPVYBGMUTVUCY-IUMSMFKDSA-N 406.573 7.696 30 40 HKEB FC(F)(F)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 408987328 OCBLFSXHELLQQB-JFLMPSFJSA-N 423.463 6.942 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(O)c(Br)c3)c2C#N)C1 409092613 VRBBXCIKCDMCLZ-HJQVIKLGSA-N 417.372 5.989 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1F 409116552 KQGMWTJOVNSQTO-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1 409318202 XPALKGZHUCHEBS-JCMHNJIXSA-N 404.487 6.233 30 40 HKEB CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)C=C(O)[C@H]3n3cncn3)c2)cc1 1390424 AMDZKBBKTDMZPP-GMAHTHKFSA-N 403.482 5.108 30 40 HKEB C=CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 2179080 ZBLJXOGCOOPBSP-UHFFFAOYSA-N 406.595 5.747 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 2371398 NEBIQVOEYGBSGH-UHFFFAOYSA-N 416.506 5.122 30 40 HKEB O=C(/C=C/Nc1ccc(Br)c2cccnc12)c1cccc(OC(F)F)c1 2791178 ISRSIUXYUKKAML-CSKARUKUSA-N 419.225 5.407 30 40 HKEB O=C1/C(=C/c2ccccc2OC(F)F)CCC/C1=C\c1ccccc1OC(F)F 4932028 GZTANQRBMICPHN-UNZYHPAISA-N 406.375 6.109 30 40 HKEB COc1cc(/C=C/C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)ccc1OCC#N 7777799 PTNYZCLYOXWEDY-GXDHUFHOSA-N 422.500 5.111 30 40 HKEB COc1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1COc1ccccc1F 8691612 TYNVWGPDNYELLQ-ZVHZXABRSA-N 409.486 5.145 30 40 HKEB N#C[C@H](c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccccc1Cl 8857106 XTOBHZKOWUALDS-NSHDSACASA-N 415.724 5.976 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCCC)cc1 13634783 KVHCGCLNOIKKDI-QHCPKHFHSA-N 417.509 5.233 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1cccs1 13769384 FTDUSMHNAUEXNY-YVLHZVERSA-N 400.814 5.376 30 40 HKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 19832235 ODAYAWQNTRHJKC-XRKKSIEBSA-N 419.525 6.244 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 19867350 UZVQHPPOXFEESS-QHCPKHFHSA-N 403.522 5.395 30 40 HKEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OC 25075989 VSDMEWQRTWLOBW-OAQYLSRUSA-N 409.526 5.517 30 40 HKEB S=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)Nc1cccnc1 25422485 BCIFMUNVCRRLHO-OVVQPSECSA-N 423.545 5.872 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1 30738657 RWEIBTQJNDRQEC-ZMPCKTLKSA-N 423.607 6.159 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)o2)cc1 59137846 ATRTZEVDHNYHRK-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O 100017362 UNCDMWKTFLUPHZ-UHFFFAOYSA-N 400.559 6.474 30 40 HKEB in-vitro CCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCCC 100167307 CDXFYPWJGOODOG-FYWRMAATSA-N 422.738 9.708 30 40 HKEB CCCCCCCCCCOCn1c(=N)n(CCN(CC)CC)c2ccccc21 100722197 NXYVHEWZQHPSCX-UHFFFAOYSA-N 402.627 5.379 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC 408625574 XMSAVAVSYFMYFI-UHFFFAOYSA-N 419.477 5.703 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 408964337 GGJBQLGRNKASDX-HYARGMPZSA-N 415.562 5.911 30 40 HKEB CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccc(Br)c(Cl)c1 409011262 FWGOFSSQEVRABB-JIQLHFTESA-N 407.720 5.336 30 40 HKEB O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 409042747 ORQLRMNTTNROET-YDZHTSKRSA-N 409.829 5.016 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O)C[C@@H]1O 521205723 HKXBNHCUPKIYDM-WUZRJSFNSA-N 412.658 6.612 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1Cl 3021625 IENOFUUXIMMEPV-MGXYOJEMSA-N 413.955 5.500 30 40 HKEB O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N\OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4014492 DDXJTNNYJDQXBU-QMWCZEAPSA-N 403.822 5.387 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)sc2c1CCC2 4813872 XHRGWASOAKOESS-UHFFFAOYSA-N 412.470 5.134 30 40 HKEB Cc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5)nc4c3)o2)c1 5548618 CKUUVAWFEOIUNC-JFLMPSFJSA-N 412.876 7.467 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccccc1F 6257958 JABXEZJNZASJOC-STZFKDTASA-N 404.466 5.296 30 40 HKEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCCCN(CCCC)CCCC)[C@@H]3C[C@H]12 6778346 CURRYBTXBNEGJH-PJNXIOHISA-N 418.666 5.183 30 40 HKEB biogenic CC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 9075772 MISNKYJCYIVJBT-QFIPXVFZSA-N 423.563 5.136 30 40 HKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C 17167370 CNZSXSSKVWGQRQ-MZURAFEFSA-N 411.546 5.718 30 40 HKEB CC(C)(C)[C@@H]1CCC[C@@H](/C(=N\Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O 33435771 OIFIHEIMRZQFOM-ACYYHSRXSA-N 423.504 6.172 30 40 HKEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1ccc(Cl)cc1 33752537 HRKLLGWMFCFBGR-RQUYWDQNSA-N 413.955 5.622 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Cl 59427175 XBAAYFNNTIEWPE-FSJBWODESA-N 411.845 5.193 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 59516418 IGNQGUSSZLCMBY-ICVBSQCJSA-N 414.552 7.725 30 40 HKEB N#CCCSc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 78668951 HAXQAGPJNFKFTB-UHFFFAOYSA-N 404.491 5.502 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/C=C4/N(C)c5ccccc5C4(C)C)cc3)sc2c1 97840651 UJUKAEFIUZOZFV-HDQOQCMRSA-N 423.585 7.286 30 40 HKEB Cc1ccc(/C=C2/S/C(=N/c3cccc(C)c3)N(Cc3cccs3)C2=O)cc1 102923066 RGMSYAQWTQTPDG-IZSQXYTLSA-N 404.560 6.169 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)o1 408544825 XTOPWQQMXVBDCV-LQKURTRISA-N 420.468 6.398 30 40 HKEB O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 408857961 OEICHXWGYCSVDY-FRJDLFPQSA-N 415.518 5.688 30 40 HKEB CC(C)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 408899808 VWXHBDQNBMXVDQ-UHFFFAOYSA-N 421.581 5.789 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC 408913037 PFUDCYWQMGUNHB-RAFWRMIMSA-N 422.550 5.446 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 408944720 UVKZDQQIGCVDRR-FTQNGOQNSA-N 420.556 7.137 30 40 HKEB CCOc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OC 408975999 DMBFDIADEDBWBV-WGOQTCKBSA-N 420.578 7.016 30 40 HKEB C=CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 409043263 DNYXFFWSBMSBOY-MHWRWJLKSA-N 423.438 5.668 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1C 409200835 KAYYGJOWORNAGI-HTQRFZLASA-N 409.599 5.800 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409210085 IBSMMATUMLUFIA-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c[nH]c2ccccc12 1531236361 ULWQBZAYZJPPOK-LFWZTCNZSA-N 423.314 5.036 30 40 HKEB COc1ccc(/N=C2/S/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)N2C)cc1 1014381 LAFQKAYRHMEHRU-UVOXWLTBSA-N 422.531 5.673 30 40 HKEB O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)c(Cl)c1 1384888 BWZCOAZDTCAAEZ-SSDVNMTOSA-N 416.289 5.561 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3Cl)c2C#N)C1 1771095 BQEHDMYQAHNYGW-GFCCVEGCSA-N 423.365 5.849 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 2451825 AKUPBKKBSSBUCV-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 4113028 NHNDBYBGIMGBNV-QFIPXVFZSA-N 406.913 5.255 30 40 HKEB O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@]2(O)[C@H]1c1ccccc1 5052010 LHPXMMJJEPOBSZ-WNJJXGMVSA-N 400.477 5.832 30 40 HKEB C(=N/Nc1ccccc1)\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 5163753 LSXSLFPWBLQRDX-QZPVIKGESA-N 416.528 6.488 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C#N)C1 5383715 RWIIHVRVEALRPZ-LLVKDONJSA-N 417.918 5.585 30 40 HKEB Cc1ccccc1[C@@H]1C2=C(Nc3nn(-c4ccccc4)c(O)c31)c1ccccc1C2=O 6208380 LQSVGOYDEPKHBQ-HXUWFJFHSA-N 405.457 5.051 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C/c1cccc([N+](=O)[O-])c1O 8397429 WUSXLUVIUIVRJX-XTCLZLMSSA-N 418.622 7.981 30 40 HKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 8811781 RLQABIFDSKNSHF-LGJNPRDNSA-N 403.284 5.835 30 40 HKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 8820944 XFBDHXJSMUIBLV-DEDYPNTBSA-N 424.909 5.890 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 12039729 ZZTMSYBAYNYCBZ-ODCIPOBUSA-N 412.729 6.225 30 40 HKEB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)CC[C@@](C#N)(c2ccccc2)C3)cc1 12546724 COUZCRCFBMMYEO-MUUNZHRXSA-N 420.581 6.711 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ccccc2c1 13303876 VOJNJIVKGMUYCV-ZMPCKTLKSA-N 417.559 5.834 30 40 HKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(O)c2)C12CCCCC2 13739534 MYJVQCJGRSGNHC-LVWGJNHUSA-N 407.583 6.235 30 40 HKEB COc1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc(OC)c1 14121294 OPNRODNFVXRCBM-UHFFFAOYSA-N 404.491 5.120 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1F 100285292 IAHDWIPJXZKCLA-UHFFFAOYSA-N 421.641 7.582 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118912401 PRYIJAGAEJZDBO-RUXQDQFYSA-N 402.663 6.600 30 40 HKEB in-vitro CCCCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cccc1OC 135988751 BQNVFGMXXKACOL-RAFWRMIMSA-N 424.566 5.806 30 40 HKEB CCn1c(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)nc2ccccc21 408692316 JQRNQIBOYXGSHT-MTDXEUNCSA-N 420.516 6.234 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc(Cl)c3)nc2-c2ccccc2)cc1 408722474 JIBDRJXTPDWYPS-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 408741005 GIZOSLMCYYQUEY-FSJBWODESA-N 411.845 5.193 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408759170 ZBVSCSAIBQRVIE-HMAPJEAMSA-N 417.534 5.303 30 40 HKEB CN1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccc(Br)c(Cl)c1 409010746 KWMABHOWVMTMSW-GOBGVIRVSA-N 413.749 5.398 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\Nc1nc2ccccc2s1 409090664 NAJJTOCKINADRF-QFEZKATASA-N 403.551 5.916 30 40 HKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)c1 409208174 BPDUBGLOYBETNK-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccc(F)cc1 707762 SXXVIMBMAIIDIV-NRFANRHFSA-N 406.284 5.372 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCOc1ccccc1 2051509 HYLAZZKHSJKMDP-UHFFFAOYSA-N 406.454 5.872 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(O)c1 3116189 MWZGCYZSSQXMSM-YDZHTSKRSA-N 410.267 5.433 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(OC(F)F)c(Cl)c2)cc1)c1cccnc1 3233532 VLYFLMUIMONKIR-OPEKNORGSA-N 402.784 5.306 30 40 HKEB Cc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 3284242 VNHOYTUKQYTBST-MTDXEUNCSA-N 411.936 6.619 30 40 HKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4048068 FHGYXJXNZVJCOO-RBTNQOKQSA-N 424.544 6.455 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2C)SC1=S 4550957 QGDHRGSYBAWYLK-UNOMPAQXSA-N 415.967 5.615 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1/N=C(/c1cccc(Br)c1)N1CCCCC1 4832607 OVNFTESJNXYRLN-VZCXRCSSSA-N 402.292 5.230 30 40 HKEB C=CCn1c(SCc2cccc(OC)c2)nc2scc(-c3ccco3)c2c1=O 5937509 IMPSLANXQMMUII-UHFFFAOYSA-N 410.520 5.205 30 40 HKEB Fc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(F)cc5)cc4nc3c2)cc1 6144483 GVYNWTLXZWVVPJ-RVSCTIAXSA-N 421.450 7.167 30 40 HKEB Cc1cccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2N=C2CCCCC2)c1 7191710 IQYNDUBVRRSKIF-IZHYLOQSSA-N 419.550 5.697 30 40 HKEB CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 8820924 KVGJIRJRJPZJEK-DEDYPNTBSA-N 424.909 5.890 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 11650884 QTQKEFFGENFNHQ-LLVKDONJSA-N 407.326 5.043 30 40 HKEB CCN(c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1)C(C)C 15152978 LPHGNEAKGIJWEV-UHFFFAOYSA-N 413.521 5.477 30 40 HKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)c2C)c1 59105763 TXYWJQRBQDSUJJ-LPYMAVHISA-N 419.525 5.742 30 40 HKEB CCCCCCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@H]12 70665485 GXCLTLUTGZEMKG-KCWPFWIISA-N 412.662 7.899 30 40 HKEB biogenic CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 100367214 MCCHTMOHYJPGQT-VGANPZDKSA-N 420.465 5.082 30 40 HKEB CCCCCCCCCCCC(=O)OC(COCCC(C)C)COCCC(C)C 104257692 MVYFIVZIHAZWOW-UHFFFAOYSA-N 414.671 6.945 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c2C)cc1C 136337526 ZIJLSZCERJMCAI-ADYJVVQCSA-N 407.564 5.585 30 40 HKEB CCCCCCCCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 138826308 ORFWEBCJVCUVDB-UHFFFAOYSA-N 417.505 5.540 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 198147152 LLXGQQXOIJRFEW-MTDXEUNCSA-N 412.533 6.870 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc([N+](=O)[O-])cc(C)c1O 245232048 OHKYACABFVEKIS-UHFFFAOYSA-N 421.840 6.129 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497835 MNCABEXSEDNYIM-VRPVHDIJSA-N 421.625 5.719 30 40 HKEB biogenic CCn1c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21 408692712 SPJGADUVOOGDHQ-BUVRLJJBSA-N 412.522 5.416 30 40 HKEB CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1ccc(C)cc1 408907601 NXJXTDKMEHPSGV-FUQOYWQNSA-N 422.553 6.925 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 408965644 LCYSZAZTPBRCGA-FYJGNVAPSA-N 418.474 5.049 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(F)c1 409109969 OTKCQAYWRNDFJK-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB CCc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409201325 LMTVHPWGXUOBHL-VULFUBBASA-N 414.383 6.719 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409208246 BJQNBCALTUABGD-WGOQTCKBSA-N 402.494 5.334 30 40 HKEB O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 720490 XMWFGVJVFCPUJJ-IVCQMTBJSA-N 418.899 6.459 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 1826287 KXWPCZJTLIEMJP-RELWKKBWSA-N 408.567 6.318 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)C3CCCCC3)ccc21 2434789 JWURTJBEJPYYON-ONUIUJJFSA-N 424.496 6.456 30 40 HKEB Fc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc45)ccc3o2)c1 3113111 LNGHUIHMLWRICV-OCSSWDANSA-N 416.455 7.691 30 40 HKEB COc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1OC 11868058 ASLYRNPVQVVORM-WLRTZDKTSA-N 422.864 5.473 30 40 HKEB CC(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 16956706 SVKDFANBBXKUEP-UHFFFAOYSA-N 414.356 5.702 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 19848665 XWFFSUIVXCBSFT-DEOSSOPVSA-N 415.533 5.077 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 33154955 WEXDYYIKSKVZOI-STZFKDTASA-N 420.921 5.811 30 40 HKEB c1ccc2sc(N/N=C3/CCC/C(=N\Nc4nc5ccccc5s4)C3)nc2c1 35044131 VXEHKEGBVJQEMZ-NQGGHMMCSA-N 406.540 5.716 30 40 HKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O 40164337 KJKIIUAXZGLUND-ODPFGAGNSA-N 412.658 6.756 30 40 HKEB in-vivo CCCCCCCCCC[C@H](C[N+](C)(C)Cc1ccccc1)[C@@H](O)c1ccccc1 104333518 JSGIDDVOFJXXTI-IZLXSDGUSA-N 410.666 7.144 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 257345230 KHWMMNOVUASODC-CRSSGCRSSA-N 419.609 5.639 30 40 HKEB CCCCCCCCCCCC(=O)N1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 408678626 FWFVRJATXGFADH-AQTMLSCTSA-N 405.582 6.742 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl 409018983 ZTOMPMRPOPKNCP-AKBIMGJMSA-N 403.909 7.681 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)cs2)S1 409227570 PZPVGXHXFDFRIW-AWNIVKPZSA-N 413.749 5.364 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)S/C1=N/c1ccc(F)cc1 409227611 QTZJTBZHJHEFLS-BBWXTVSKSA-N 414.502 5.245 30 40 HKEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387873 XRBSNIPFTLSSMF-WYMPLXKRSA-N 422.506 5.181 30 40 HKEB O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 720492 XMWFGVJVFCPUJJ-LMKMVOKYSA-N 418.899 6.459 30 40 HKEB Cc1nc(-c2ccccc2)sc1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N 1394705 RLBLNMQNYASFHY-ZWKOTPCHSA-N 403.894 5.402 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@@H](C(C)(C)C)C3 2275147 HDIOXAPVKPSZLE-OAHLLOKOSA-N 402.629 5.853 30 40 HKEB C=C(C)C(=O)Oc1ccc2ccc3c(c2c1)N=C[C@]1(O3)N(C)c2ccccc2C1(C)C 2453440 PWMAVCRGVBSWDM-AREMUKBSSA-N 412.489 5.540 30 40 HKEB Brc1ccc(-c2ccc(/C=N/c3ccc4c5c(cccc35)CC4)o2)cc1 3211256 FQYAKEVXGNWRGC-AFUMVMLFSA-N 402.291 6.712 30 40 HKEB Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 4073744 RHCQKTVYOJLSRN-VMQYQATMSA-N 423.641 6.283 30 40 HKEB biogenic Cc1ccc2c(c1)N[C@@H](c1cccc(OC(F)(F)F)c1)C1=C(CC(C)(C)CC1=O)N2 5218515 ACSRVHAVKFOLGX-NRFANRHFSA-N 416.443 6.116 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2/C(Br)=C/c1ccccc1 8974961 VNVLZAVRMFRLKA-MCZSENPKSA-N 423.354 5.972 30 40 HKEB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N/N=C/c2ccccc2Cl)n1 9435870 OCRXMMJREZSVPD-YSURURNPSA-N 411.214 5.915 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1C 15018392 PNWQDEIYJUFPGI-SHSCQTOKSA-N 402.494 6.251 30 40 HKEB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1 15189021 OPVMBPZTALSQRP-CSKARUKUSA-N 410.926 5.994 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C\c4ccc(Cl)c([N+](=O)[O-])c4)c3C)nc2c1 16268808 VQNCIPLFTHBIJS-ROTLSHHCSA-N 419.868 6.732 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccccc3)c2C#N)C1 17093694 FRLOSEXPLASZLI-ONOODXEBSA-N 423.607 5.297 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OCC)c1O 17167011 YAGJYRXSZGXUEL-MOSHPQCFSA-N 408.523 5.028 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3cccc4ccccc34)sc2-c2ccccc2)cc1 19894551 WCFQCZYNHRDIKT-MTDXEUNCSA-N 404.538 7.689 30 40 HKEB O/C(CN(Cc1ccccc1)Cc1ccccc1)=N\c1nnc(-c2cccs2)s1 19897410 QQYMMHYPBLNWDG-UHFFFAOYSA-N 420.563 5.557 30 40 HKEB COc1ccc(CN/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1OC 20196057 UTTJWYCRZGFWRQ-LQKURTRISA-N 413.521 5.139 30 40 HKEB C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(C)cc1 27016038 BZUDVFYCUISTDF-IZHYLOQSSA-N 415.518 5.789 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 50860575 KRKIVNMLBZEZOA-OAQYLSRUSA-N 403.570 6.226 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 97951594 HGKIOVDXNVKZEW-UHFFFAOYSA-N 409.530 6.856 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 104079158 KHBPIIADKLVSJS-YDJIHCHBSA-N 424.283 5.620 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 408912828 LXLDSWYNCKCTOY-JKILBQTJSA-N 410.542 6.668 30 40 HKEB O=C(COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 409208364 AZLLXIVAWYYLGS-TURZUDJPSA-N 422.484 6.247 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@H](C)C(=O)O)cc2)c1 409242717 XYARQNUXOLZOKI-FYHAJLKWSA-N 421.449 5.099 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 752726 VYXCNOISZNPLMP-UHFFFAOYSA-N 404.601 5.483 30 40 HKEB COc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 943412 ROLCMYQRKXGMSQ-ZEDXCMECSA-N 408.494 5.187 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 2186452 NCLSVOXSOWKJIS-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB Cc1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1 2422667 SVVZKSAIEKVALZ-UHFFFAOYSA-N 414.486 5.151 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 2450677 ULBJXAOKGYWBIO-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2737880 JYLQERGOJFRNAE-KBPBESRZSA-N 416.974 5.830 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@@]21C)CCC(=O)/C4=C/O 5917556 WSXDVDYWXDOPKG-NTCBKFGVSA-N 408.626 7.255 30 40 HKEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)N=C2O)ccc1O 6464483 APEYRHRAPKZLSA-YBEGLDIGSA-N 408.401 5.542 30 40 HKEB N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 6580213 LXQOEIQOZBTOOK-QFIPXVFZSA-N 414.509 5.224 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2O)c(OC)c1 6642029 FVRASGQBYSQNSE-PXNMLYILSA-N 408.401 5.455 30 40 HKEB COc1ccc(Br)cc1-c1nc(COc2ccccc2C#N)cs1 9125428 DFIUPQGGHSUWNL-UHFFFAOYSA-N 401.285 5.032 30 40 HKEB Clc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 12376756 SHNPPTOXEYYDBE-BUVRLJJBSA-N 415.888 5.458 30 40 HKEB CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 30883446 HAWDZLHCVPPKLE-ZJOUEHCJSA-N 410.537 5.118 30 40 HKEB biogenic,in-vitro N#C[C@H](C(=O)Cc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 70016585 DKTVFSFUJLHALW-MRXNPFEDSA-N 400.425 5.223 30 40 HKEB CCCCCCCCCCCCCCCc1noc2c1/C(=N/OC(C)=O)CCC2 70687771 NTQMIYPICFRDEH-YYDJUVGSSA-N 404.595 6.912 30 40 HKEB biogenic N#C[C@]1(c2nc3ccccc3s2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 96191563 CPSNRNMXEMIGEK-QHCPKHFHSA-N 415.905 5.306 30 40 HKEB CCCCCCC[C@@H]1[C@@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@H]1O 98009111 IUVNAZXEDLWMKH-BKKFENPESA-N 411.586 5.817 30 40 HKEB O=C(O)CSC1=N/C(=N/c2ccc(Cl)cc2)C2(CCCC2)N1c1ccccc1 102468162 AVPRZRODPWBIDR-FCDQGJHFSA-N 413.930 5.377 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1Cl 104373416 ABQHBYONRNPVIR-LFVJCYFKSA-N 416.462 6.712 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 408588130 IAJQLAYPFQCYCT-WSDLNYQXSA-N 405.483 5.366 30 40 HKEB CCOc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1I 408905142 UGGAGYCLUQZLFZ-OCKHKDLRSA-N 420.077 5.747 30 40 HKEB C=CCc1cc(/C=N/O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409077011 CJSIPYJVJYRPLW-FOKLQQMPSA-N 410.348 5.341 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 409214187 WEQGTEDOTWEVCX-DHRITJCHSA-N 400.305 6.640 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409216627 KDUMPILFAZRATC-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387145 ZVRDPOMXHDXBAX-QFEZKATASA-N 421.566 5.549 30 40 HKEB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3ccc(C)cc3)cc2)cc1OC 1435722 BGSDUDVJUZQVFQ-WGICJODHSA-N 401.462 5.382 30 40 HKEB biogenic O=C1C(c2ccccc2)=C(Nc2ccc(I)cc2)c2ccccc21 2561899 OXWACDCWBBOYPG-UHFFFAOYSA-N 423.253 5.468 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4O)ccc3o2)cc1 3162681 AQRNQIVNCYKENC-VULFUBBASA-N 404.897 6.902 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC 4415940 SQQYPOGEWVFIGH-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB COc1ccc(Br)cc1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 4921786 PIMJDQVYSVWMQF-ODCIPOBUSA-N 407.617 5.576 30 40 HKEB CC(=O)/C(C(=O)Nc1cccc2ccccc12)=C(/C)Nc1cccc(C(F)(F)F)c1 5260545 MLZKIAFRWXXQLT-KGENOOAVSA-N 412.411 5.772 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)oc2cc1C 5541727 AKAYUEOHTHEVSO-RQPDZZTRSA-N 413.433 6.141 30 40 HKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1F 6417553 DPTVHVUFLQQGRS-SDNWHVSQSA-N 401.868 6.899 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N 6482958 AGLFPKUPDNYHTN-ADIPLEEHSA-N 409.574 5.534 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1cc(Cl)cc(Cl)c1O 8398700 FVKGHHOBSUPQGH-GZIVZEMBSA-N 422.190 5.157 30 40 HKEB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1Cl)C1=C(N2)c2ccccc2C1=O 18008502 ZUWTUMOFLHZZRE-OAQYLSRUSA-N 424.891 5.394 30 40 HKEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182698 SREFBILUHULBKQ-KSEXSDGBSA-N 403.478 5.549 30 40 HKEB Fc1cccc(Cl)c1COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1 59194505 CGXKCPGTLRJWLG-WYMPLXKRSA-N 411.889 6.114 30 40 HKEB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 77256982 MKGZDUKUQPPHFM-LJMPVKHUSA-N 410.686 8.009 30 40 HKEB biogenic,in-vitro CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 100243244 HWOFIOKCJGAZFP-ISSOZRQYSA-N 406.551 6.022 30 40 HKEB CCCCCCCCCCC(CCCCCCCCCC)c1cccc2ccccc12 104141707 ZSBYUESFRFAERN-UHFFFAOYSA-N 422.741 10.985 30 40 HKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(C)cc1 224690709 JYEITHGCDPFRMH-UHFFFAOYSA-N 421.606 5.844 30 40 HKEB Cc1ccc(-n2c(C)cc(C=N/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c2C)cc1 408738016 HXBRGHXZVYFLRP-BTMACWBJSA-N 422.576 6.572 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 408861107 NFKWCUJJEFNADG-DGVHBWFKSA-N 410.970 6.523 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908409 DVLWLXTZEVFCST-PZHPEBMISA-N 410.539 5.415 30 40 HKEB Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(C(C)C)cc1 409042728 CIGDMMQXELEUCC-NCAUGAEKSA-N 423.376 5.931 30 40 HKEB C=CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 409057200 UVCJITRPRDXGNG-ZMOGYAJESA-N 418.349 6.518 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1 409118079 MYCLHPZKTCQRMY-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 1090972 QAYXAVLZHBOIIR-AFUMVMLFSA-N 408.288 6.302 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C#N)C1 1773535 KMXSCVIVWGYNSY-INIZCTEOSA-N 410.583 5.840 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 2081484 ZQJOPIFBUMYDLN-JOZWUWCOSA-N 409.511 5.331 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCCCC(=O)c1ccc(F)cc1 2617107 TYINHCKWKHZZLO-UHFFFAOYSA-N 419.477 5.668 30 40 HKEB FC(F)(F)c1cnc(N/N=C/C(Br)=C/c2ccccc2)c(Cl)c1 3239128 AUGIQNWAYZYGQY-YDECSSQVSA-N 404.617 5.588 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2nc(Cl)ccc2Cl)c1 3357263 IFZQNDJKEREWJC-PYCFMQQDSA-N 408.354 5.661 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)NC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 4029988 HDKCEXUWUBHFTM-CMNQHTDYSA-N 414.634 5.579 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(C(F)(F)F)cc1 4543619 MHDDOGAJIRJSFX-JOCHJYFZSA-N 421.462 7.059 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(C)cc2C)cs1)c1ccc(Br)cc1 4957178 NGPPIDUDRHWJGE-HYARGMPZSA-N 400.345 6.026 30 40 HKEB CCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 5164231 VPHSZNOUVKDWTK-UHFFFAOYSA-N 402.929 6.124 30 40 HKEB CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2/C=CCC(C)(C)C2)c(C(C)C)c1 5733667 MSERXMUYIINALX-CLCOLTQESA-N 404.620 6.067 30 40 HKEB FC(F)(F)c1cnc(N/N=C/c2cccc(OCc3ccccc3)c2)c(Cl)c1 6047048 NMDKBUJXTBDTNG-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1OC(F)F 6048376 USMVUTDHNWYMRC-VOTSOKGWSA-N 409.162 6.092 30 40 HKEB Cc1ccc(NC(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6212957 RSCBIAJZPGFUMW-XEFZIOHMSA-N 412.402 5.074 30 40 HKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 6338272 WRTMEUPDPIGYMH-JXMROGBWSA-N 412.239 5.822 30 40 HKEB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 8334784 WRBQEGYZQABPBA-JOCHJYFZSA-N 418.591 5.603 30 40 HKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 17094098 YEGQQMRYRACXSL-KRWDZBQOSA-N 424.610 6.220 30 40 HKEB CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1 18209039 IUEDIFOODUOALH-NFQMXDRXSA-N 409.533 5.732 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779166 RFQYFTLHVIPPPM-INIZCTEOSA-N 412.917 5.076 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cccc1OC 408907306 AWHIAYWCRNVPFW-ZSICUCBDSA-N 410.539 5.415 30 40 HKEB Fc1ccccc1COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409039379 QRFOLMJKNQZNTO-WMDMUMDLSA-N 412.280 5.119 30 40 HKEB COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 409087869 IHSSGWXDQKCQBL-AZRQGOPLSA-N 412.555 5.547 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2Br)cc1OC 409381571 GXXXHJWATMFWQV-BTXKWLAHSA-N 410.739 6.347 30 40 HKEB CCCCCCCCCCOc1ccc(-c2c(=O)n(O)c3ccccc3[n+]2[O-])cc1 1795474 QBOIBZYNPGORBO-UHFFFAOYSA-N 410.514 5.059 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc1 1858532 PTGLGWAHRZKCGJ-OQKWZONESA-N 424.566 6.214 30 40 HKEB Cc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 2245714 AITCAINRYVABIW-UHFFFAOYSA-N 413.546 5.192 30 40 HKEB CC(C)(C)Sc1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 3028683 RLFABYVZOYLBSZ-UFFVCSGVSA-N 413.326 6.343 30 40 HKEB CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 4834348 MVZWTHGZOKKUQM-QGZVFWFLSA-N 422.598 5.465 30 40 HKEB COc1cccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944853 FYLPOIIXBWOVLJ-IBGZPJMESA-N 419.521 5.176 30 40 HKEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 6283009 TVCGEWCZJMRSLF-NRFANRHFSA-N 419.864 5.132 30 40 HKEB CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 8426372 DJLNOHRZMYHVDB-UHFFFAOYSA-N 422.639 5.236 30 40 HKEB Cc1ccc2cc(/N=C\c3cc(Br)cc(Br)c3O)ccc2n1 8426875 GFGGCMAFDJJEQX-UKWGHVSLSA-N 420.104 5.524 30 40 HKEB C=CC[n+]1c(-c2ccc([N+](=O)[O-])cc2)csc1Nc1cccc(Br)c1 8766503 QSZZXAYJTHHTGH-UHFFFAOYSA-O 417.308 5.303 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1C 15018395 VTJNAGAAZDWEOG-SHSCQTOKSA-N 418.949 6.765 30 40 HKEB Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 17025369 NEOSTAFWKJXMCN-UHFFFAOYSA-O 415.460 5.352 30 40 HKEB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 17091586 SJHCOFPNFCMNOY-QGZVFWFLSA-N 418.562 6.185 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3c(Cl)cccc3Cl)o2)CC1 27562579 TTWMBUUCYADXRX-DHRITJCHSA-N 419.356 6.763 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(Br)cc3F)o2)c1 408594148 SNSCLYBFAVTWBU-UFFVCSGVSA-N 419.206 5.307 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 409054061 MCCZGMUOPMTOTE-UYRXBGFRSA-N 415.898 5.544 30 40 HKEB Cc1ccc(OCCCn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 409144456 OCPZIGWOSRNAEU-UHFFFAOYSA-N 421.496 5.881 30 40 HKEB CCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OCC)c1 409216826 LXGBKUVLENMZAA-QVMKDISWSA-N 410.583 6.319 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1Cl 409218162 SVHPWAMMKGXNGF-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1ccsc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409278795 FZXPPVYRVJAQQX-UHFFFAOYSA-N 413.424 5.334 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3cc(C#N)ccn3)c2C#N)C1 603727009 XCJUJVFIFWZWEB-HNNXBMFYSA-N 424.595 5.158 30 40 HKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1 2067047 UWLASOSIFLFLDH-MNAVYHJGSA-N 414.745 6.304 30 40 HKEB C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)N(C(=O)CC)c1ccccc1-2 2122465 WOBUHFKOMOJJBN-FQEVSTJZSA-N 424.551 5.021 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccs1 2695010 BKKPKXWASOXSON-UHFFFAOYSA-N 410.351 5.474 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)cc1 4723893 DUNPDBLZTABFIU-MFKUBSTISA-N 420.534 5.647 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3C)cc2)cc1 5418879 MRUCQHRCUBKSDY-ZXVVBBHZSA-N 401.506 6.534 30 40 HKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(OC(F)F)cc1OC(F)F 16035566 CMKOAJXPUJTPEP-FPYGCLRLSA-N 419.168 5.548 30 40 HKEB CSc1nc(Br)c(C#N)c(-c2ccc(Cl)cc2)c1Br 16248707 WYEJYERMSGRIRC-UHFFFAOYSA-N 418.541 5.521 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)c1ccc(F)cc1)c1ccccc1N2 30823026 HHNCTLFKIGPZGE-QHCPKHFHSA-N 402.425 5.239 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1 32100252 HFTZPGFYXMXBAH-OUKQBFOZSA-N 412.714 6.578 30 40 HKEB N#Cc1ccc(CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 34805925 SCDRETBOJOFBDH-HMAPJEAMSA-N 413.477 5.374 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c(C)c1 59249119 LENYAUNBJVYQJU-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 100073805 JVZLYQFRRGLPON-PCLIKHOPSA-N 402.450 5.862 30 40 HKEB CCCCCCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 100597392 NGHPMZFEKJLGCM-OAHLLOKOSA-N 410.729 5.180 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC 101013000 JSPYUWMQTQRDGW-FXBPSFAMSA-N 419.587 6.271 30 40 HKEB Cc1ccc([C@@H]2CC(O)=C/C(=N\c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 104121725 CPOWXNWXJNTZEP-RNDJKCMBSA-N 424.569 7.672 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1CC 408775997 MAUPFMUXQGKONX-AUERHCTOSA-N 415.562 5.765 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408935867 DXKBBPZJEVNKKI-IUYRTAIISA-N 420.556 7.137 30 40 HKEB Cc1ccc(COc2ccccc2/C=N/n2c(S)nnc2-c2ccccc2)cc1 409060622 VNNUWYJMKUZYAZ-BUVRLJJBSA-N 400.507 5.003 30 40 HKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 409156114 RSPPGJIECLPUNM-KHYOSLBOSA-N 404.819 6.088 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)S/C1=N/c1ccc(F)cc1 409246922 LAVZPTHZTBXZMA-KJSLDKNGSA-N 420.513 5.252 30 40 HKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccc(F)c1 409302325 DEQIFFSLBDRIHJ-UHFFFAOYSA-N 411.358 5.104 30 40 HKEB C=C(Br)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 1806755 LJQMXAQUKNYHFO-UHFFFAOYSA-N 412.114 5.831 30 40 HKEB Brc1ccc(-c2csc(/N=C/c3cccc(Br)c3)n2)cc1 4179004 HLMZPFHZDUGJBY-DJKKODMXSA-N 422.145 6.086 30 40 HKEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc2ccccc12 4436020 XJIDGSAGJNKPMU-CJAUYULYSA-N 406.489 5.155 30 40 HKEB CCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n12 5453710 ROTRHAHTIZRUHI-UHFFFAOYSA-N 402.929 6.124 30 40 HKEB O=C(O)c1ccc(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 5489524 NZPMLNHIMIYNBD-DHRITJCHSA-N 403.869 5.487 30 40 HKEB Oc1c(Cc2ccc(Cl)cc2)cc(C2CCCCC2)cc1/N=C/c1cccnc1 5580079 VNINJOSBIZDJSU-OGLMXYFKSA-N 404.941 6.830 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc2ncccc2c1 6078592 XOMITWDDBSHNNB-MWWVQSJNSA-N 418.547 5.229 30 40 HKEB C=CCOc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 12194175 ZEPZCROSHUGCJQ-IAPPQJPRSA-N 424.544 6.617 30 40 HKEB Cc1cccc(NC(=O)Cc2nc(-c3cn(CCC#N)c4ccccc34)cs2)c1 12551682 PXCBHABFGAATRK-UHFFFAOYSA-N 400.507 5.168 30 40 HKEB C=CCc1ccc(OCCCOc2ccc(Cl)cc2Br)c(OC)c1 14084390 NRISMIKUQYYABV-UHFFFAOYSA-N 411.723 5.688 30 40 HKEB N#Cc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 16477651 QJYDCRRNBBRFOR-UHFFFAOYSA-N 422.509 6.551 30 40 HKEB CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 36614430 IATLNWYXDOFXTO-PNKLTVKJSA-N 404.554 5.339 30 40 HKEB C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 44087638 UEAGTDHUNVOPGO-UHFFFAOYSA-N 405.748 6.233 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 97952972 UDVFOZKXFUSWBE-UHFFFAOYSA-N 424.589 6.264 30 40 HKEB CC1(C)CC2=C(/C(=N\Nc3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])O2 100761030 ZZURGLVLOGGSOR-AHRHJCDGSA-N 411.889 5.599 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 100832346 KWWIYZLCDIBDQN-SDXDJHTJSA-N 421.584 5.102 30 40 HKEB CCCCCCCCCCCCCCCCCCN1CN(CO)C(=O)N(CO)C1 104380784 GILFPVDYUDEGQI-UHFFFAOYSA-N 413.647 5.102 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1CC 408560757 OLOCVEMXMBYYNY-UHFFFAOYSA-N 402.608 5.665 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(C)cc3)c2C#N)C1 408583095 RNPZYDGNGGQYEE-INIZCTEOSA-N 412.624 6.200 30 40 HKEB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\Nc2ccccn2)c1Cl 408817041 KNYMAINRUBWEES-KSEXSDGBSA-N 419.268 5.348 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 408978668 AIQJVSRFAFDFJA-HDIRMATHSA-N 400.547 5.973 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409200667 JLZKCIVFZFEBAI-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)cc1 409215010 ZEFASLUBEZRHGW-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1 409322871 YJQCBRZLROVOJW-LBPRGKRZSA-N 418.722 5.208 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F 2055365 WZEJBSSGRVQZPZ-IBGZPJMESA-N 421.459 5.263 30 40 HKEB COc1ccc(C(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 8951494 WFVBABMPDTXRRS-UHFFFAOYSA-N 420.559 5.544 30 40 HKEB N#Cc1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 9613336 HZROZQVLTXFPDI-UHFFFAOYSA-N 424.934 6.564 30 40 HKEB Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1cccc2ccccc12 16526181 AGEZMGVOMOWTDI-UXHLAJHPSA-N 421.927 7.976 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccco1 21722425 XSNDSGQXVFEANM-QFIPXVFZSA-N 418.518 5.798 30 40 HKEB N#Cc1ccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 58157908 UNPPROUHAOJLCO-UHFFFAOYSA-N 411.292 5.494 30 40 HKEB N#Cc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(F)cc3)cnc2c1 67335442 XJSYBGUWCVYNIB-UHFFFAOYSA-N 422.868 5.399 30 40 HKEB COc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)c([N+](=O)[O-])c1 226362360 YKHAYOHMXQDVAE-DHZHZOJOSA-N 413.389 5.043 30 40 HKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 408563957 STZIONFYISMRIY-XZHRJIJLSA-N 407.398 6.825 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1OC 408909133 GDDIVSWQCLSWER-PGBYLALNSA-N 410.539 5.272 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1C 408914712 VVMQBVDRDLCCDE-LISDSOCTSA-N 422.937 6.396 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C 409110693 XTZBCOKSSBYJLB-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 780211 GVBVMBVQZNQDHS-UHFFFAOYSA-N 407.554 5.401 30 40 HKEB CCCCCCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 3635751 ISSAJCTVAQLZSW-UHFFFAOYSA-N 403.478 5.232 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1C 8821083 IEPPDFZBOGTEOS-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 17089525 HHZACYBCZXXZSC-UHFFFAOYSA-N 413.452 6.190 30 40 HKEB CCN(CC)[C@@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)(C)C)cc1 35672612 XXUFUWPNNRKZBZ-QFIPXVFZSA-N 417.557 5.401 30 40 HKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1Cl 59417097 TUISNXDKJKMJRZ-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB C=CCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(Cl)ccc21 100874294 QMVCBMMSNMJGBT-GYHWCHFESA-N 408.910 5.445 30 40 HKEB Brc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1 100923405 DLBACLNGYOIDQB-PCLIKHOPSA-N 416.322 5.921 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N1C(=O)c2ccccc2C1=O 104157374 HTUREOWOZKYCNE-UHFFFAOYSA-N 413.602 7.071 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1 215114174 RALWBOUCQXUZQZ-VCHYOVAHSA-N 403.862 5.280 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OCC 408908065 DJRXFGQFJLRWKS-NVZLDUMVSA-N 410.539 5.280 30 40 HKEB COc1ccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CCCC4)c2C)cc1Cl 409063135 HQAXYQBQZNFBDJ-ZMFRSBBQSA-N 423.969 6.319 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409203680 XDTXJQDRZFMWCD-LGJNPRDNSA-N 402.296 7.025 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409212086 PVFYEAPWZBOZOS-YDZHTSKRSA-N 421.409 5.671 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 409218773 KNVRSFPTERXIOL-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB N#Cc1c(OCC(=O)c2ccccc2)nc2c(c1-c1ccncc1)CCc1ccccc1-2 642470 CPCQMWKPTDRBPJ-UHFFFAOYSA-N 417.468 5.043 30 40 HKEB N#CC1(C#N)C[C@@H](C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 2226305 HTWAUSQLONLFDW-DNQXCXABSA-N 418.496 5.596 30 40 HKEB C=C1N(C)c2ccc([C@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)cc2C1(C)C 3164967 XGRLADKBNBGNRY-RUZDIDTESA-N 406.529 6.343 30 40 HKEB Fc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 4154904 IENPFFXERHRGCN-LUJVFJMUSA-N 419.503 6.932 30 40 HKEB COc1cc(Br)c(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1O 6340956 PMEGVSHOTQCHTN-GORDUTHDSA-N 402.071 5.366 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9194984 VFVDEVDEERNOJW-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 12879547 DNVBIJFPARYDBE-GFEOOXAPSA-N 410.469 5.898 30 40 HKEB biogenic C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 15011401 OSFBTTUPEXZKOC-XNTDXEJSSA-N 406.326 5.096 30 40 HKEB CCc1cc(SCc2cccc(C(=O)OC)c2)n2c(nc3ccccc32)c1C#N 32708135 ZHHYXUVDINSHJE-UHFFFAOYSA-N 401.491 5.000 30 40 HKEB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1C#N 33887101 SOCOQFIIPJOZBD-UHFFFAOYSA-N 414.958 5.207 30 40 HKEB Cn1c(=O)c(C(=O)/C=C/c2ccc3nccnc3c2)c(-c2ccccc2)c2ccccc21 69351887 PNTZSQSIGKLROG-WYMLVPIESA-N 417.468 5.045 30 40 HKEB Clc1ccc(CSc2nncn2/N=C/C2=Cc3cc(Cl)ccc3OC2)cc1 70021529 VBUISQYZFPTNML-NUGSKGIGSA-N 417.321 5.187 30 40 HKEB O=C(c1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101470470 JRVVRQXLZVOFHF-UHFFFAOYSA-N 400.240 6.005 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)sc1C 102496009 NJXIINYOJVPBAA-SELCWUDQSA-N 424.909 5.040 30 40 HKEB CCCCCCCCCCCCCCCCCCn1cnc2ncnc(Cl)c21 104189485 MITJTKJRJORVLX-UHFFFAOYSA-N 407.046 7.741 30 40 HKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 225767182 OSBVTBCWBWCLGN-UHFFFAOYSA-N 417.336 6.104 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2ccccc21 408692555 PFXNMLRTXLQQLL-WSDLNYQXSA-N 409.833 5.324 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 409020050 LQQNIWNQYSHCSW-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB CCOc1cc(Cl)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409099080 PZFNYOSDVVRLDE-LSFURLLWSA-N 417.771 5.120 30 40 HKEB C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409117842 ORXUWYDJMBPEHU-UHFFFAOYSA-N 400.305 6.963 30 40 HKEB CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 729496 HJGXXOOEOVECKM-BCHFMIIMSA-N 414.574 6.851 30 40 HKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077592 KYWJHTLSRBWYHA-CCLHPLFOSA-N 410.517 5.983 30 40 HKEB C=CCSc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N 2479542 BTHUHHALPIBXJG-UHFFFAOYSA-N 407.336 6.328 30 40 HKEB CC[C@](C)(C#CCN1CCCCC1)OCCOC(c1ccccc1)c1ccccc1 4667616 CIUJTBNFLNUMLJ-HHHXNRCGSA-N 405.582 5.467 30 40 HKEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 4836837 NWCVUKWTUDWXIN-HXUWFJFHSA-N 421.589 5.092 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 5218186 NLCLMZIJCNNRQD-SFQUDFHCSA-N 420.530 5.782 30 40 HKEB CC[C@@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=S)NCCc1ccccc1 6083264 YZHJVGMUUYGAEQ-HBWVRPOVSA-N 404.004 5.272 30 40 HKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1 9196456 FYSZFTAORWGPJM-BHGWPJFGSA-N 406.744 6.178 30 40 HKEB C(=N/N(c1ccccc1)c1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 12622837 CYMWLZLPMYKYGK-ZXVVBBHZSA-N 420.541 6.773 30 40 HKEB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2cccc(F)c2)c1 12632509 RRANPIRAGKJYQQ-YHMUTHJVSA-N 421.928 6.432 30 40 HKEB CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccccc2F)[n+]2ccccc2)cc1 12656364 BVHRIWDWOTZISX-UHFFFAOYSA-O 407.534 5.462 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 14069587 FDOZXZLHINDNEW-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB C=C(C)Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccncc1 16788658 DACBQKBKNZWHMV-UHFFFAOYSA-N 400.507 5.044 30 40 HKEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 35087394 WRDIHRGWMAJAKM-KAMYIIQDSA-N 409.272 5.709 30 40 HKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 58196714 XKIWSQUQRXFJFZ-JLHYYAGUSA-N 415.496 6.358 30 40 HKEB O=C(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 59608759 FKXICZSCPUXRAF-UHFFFAOYSA-N 401.228 5.995 30 40 HKEB O=C(c1ccc(Oc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101475154 ZPMOMRBGUBBETK-UHFFFAOYSA-N 416.239 6.130 30 40 HKEB CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408907632 BWSYMKBTFIXNSZ-XYGWBWBKSA-N 404.535 6.029 30 40 HKEB COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O 409042632 XFMIRGYZITXLCR-UHFFFAOYSA-N 407.554 5.019 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccccc1 409079403 JRPGRHHXIGAKKB-HXLYRSSUSA-N 415.606 6.929 30 40 HKEB CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br 409211006 LPVLGEZRXVVRBR-KEBDBYFISA-N 411.137 5.978 30 40 HKEB COc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409388608 VMFCOUALDDMCLO-JFLMPSFJSA-N 408.413 6.584 30 40 HKEB CCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 1534688768 OIDVFUQQVKYQTG-XBKFQHLESA-N 401.591 6.056 30 40 HKEB CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 710756 FZRAUYYWPSUJTA-CCLHPLFOSA-N 424.500 5.591 30 40 HKEB N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccc(Cl)nc2)c1 1383056 VDFMFWQGWBZINQ-UHFFFAOYSA-N 400.290 5.664 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1 1844655 LEWZTYILICXSRW-PTGBLXJZSA-N 422.594 6.817 30 40 HKEB Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1Cc1ccccc1 3403081 YSNMPEVSRAYCLC-UHFFFAOYSA-N 412.518 5.401 30 40 HKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 4118385 JBRIHHBXRSZNKM-KPKJPENVSA-N 407.809 5.364 30 40 HKEB biogenic,in-vitro C=CCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 4837399 DQRUZZJXORODPR-UHFFFAOYSA-N 421.603 6.021 30 40 HKEB O=[N+]([O-])c1cc(/C=N/Cc2ccc(Cl)cc2)ccc1NCc1ccc(Cl)cc1 5636636 AXQAOWNLQHOLCJ-ZMOGYAJESA-N 414.292 6.133 30 40 HKEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 5841468 QYZQUGDFAMIJMP-CVKSISIWSA-N 406.913 5.982 30 40 HKEB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/O)c3C)sc3ccccc23)cc1 6030085 FORZCBUEKXLLNQ-ZMOGYAJESA-N 403.507 5.678 30 40 HKEB CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1c(C)cc(C)cc1Cl 6879924 SYGHNZGZOQXSNX-UHFFFAOYSA-N 411.914 5.549 30 40 HKEB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C#N)c(C)c1C 7059275 SVDCXPKCGWAVIE-GOSISDBHSA-N 401.535 5.665 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccccc1 8986835 JAHFGSABWULREF-HXUWFJFHSA-N 423.390 5.488 30 40 HKEB O=C(Nc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1)c1ccc(Cl)cc1 12595639 PTYOWOKNVHUPIS-MDWZMJQESA-N 401.849 6.235 30 40 HKEB CC1(c2ccccc2)CC(/C(=N\OC(=O)Cc2ccccc2)c2cc3ccccc3o2)C1 15230059 QSFJYEKHZOVASM-ORIPQNMZSA-N 423.512 6.291 30 40 HKEB COC(=O)Nc1sc(N/N=C\c2ccc(C(C)C)cc2)nc1-c1cccs1 31829200 NDAMEJIONGOXHN-JAIQZWGSSA-N 400.529 5.619 30 40 HKEB O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 59302980 AFMYFPQJGBREDX-PDGQHHTCSA-N 414.317 5.676 30 40 HKEB CCCCCCCCCCCc1c2oc3ccc([N+](=O)[O-])cc3[nH]c-2cc(=O)c1=O 100392915 LNKAITOAILLMJQ-UHFFFAOYSA-N 412.486 5.568 30 40 HKEB biogenic,in-vitro Cc1ccc(C(=N\Cc2ccc([N+](=O)[O-])cc2)/N=c2/sc3ccccc3n2C)cc1 107143655 XXXLUXCFLWWMPX-BQASJOSNSA-N 416.506 5.004 30 40 HKEB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)o2)cc1C 108052201 ZAPXGTOYOIANSX-UHFFFAOYSA-N 421.547 5.112 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408737370 CQFYMXZOLJDBCR-YDZHTSKRSA-N 411.299 5.394 30 40 HKEB CCCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 408912092 KYRJRTXVLLTNHF-DNLCFCFBSA-N 400.931 5.758 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 408962069 PNKGBEIJOWURLF-HYARGMPZSA-N 418.493 5.605 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 409209769 HXRMVMDCXSVQHU-NDZAJKAJSA-N 401.509 7.631 30 40 HKEB CCOc1ccccc1/C=N/c1oc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1C#N 409340690 AIYOPRQXNMHOAV-UXHLAJHPSA-N 420.512 7.251 30 40 HKEB O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243098 QENSCMVCZIDXKK-UHFFFAOYSA-N 414.092 5.033 30 40 HKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1cccs1)CCC2 756931 GKYRSPBXOCOECG-UHFFFAOYSA-N 406.532 5.006 30 40 HKEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(C(C)(C)C)cc1)CC2 6323488 GMRSBEXIQGXYMU-HAVVHWLPSA-N 416.315 5.263 30 40 HKEB CC[C@H](C)SC1=Nc2ccccc2/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 13396784 NAWBRGGDNDMJDL-WVRKONLVSA-N 412.773 7.038 30 40 HKEB COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 16216827 MIXSSNUWRKUFMU-UHFFFAOYSA-N 408.526 6.588 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C 17084973 RHHWQSDYYXHJIK-TYGLDRHGSA-N 421.566 5.067 30 40 HKEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O 20648043 FNJVMXMCTRUCKU-XKZIYDEJSA-N 405.881 5.294 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c2ccccc21 20649042 RVUQFKZGAIBBJW-ZVHZXABRSA-N 416.521 5.215 30 40 HKEB C=CCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 60364742 MWAYQMJRGPCDMJ-AWEZNQCLSA-N 411.354 5.595 30 40 HKEB CCCCn1c(/N=C/c2cccc(C)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176649 KNKQHXWONOCMTP-NJZRLIGZSA-N 417.556 7.553 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1OC 102148804 ZBGTZOSPWFAGCA-QHQVFXOCSA-N 411.552 5.079 30 40 HKEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(Br)cc1F 102422543 WGRFKLYYDRLSHG-NGYBGAFCSA-N 407.464 5.460 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253528863 VIELWYIXEODCTJ-IJCXZKDTSA-N 405.626 6.748 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)c(Cl)c3)c3ccccc32)c1 408541825 HWETVFCKEZVADD-MZJWZYIUSA-N 416.908 6.189 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(C)c1 408588634 CBLBIKYUYOFZJU-MZJWZYIUSA-N 420.896 5.658 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)cc1C 408861362 CLPDSJLZMAJLRX-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408864194 XHDLFAJZYOMXEC-MTJSOVHGSA-N 417.921 6.175 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccccc1 408910687 XRAVJYLBZVBTGS-ULWVPNJNSA-N 400.503 5.757 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br 408995560 BADIEBVWVCRSPR-MTJSOVHGSA-N 413.275 5.211 30 40 HKEB Cc1ccc(-n2cccc2/C=N\c2ccc(I)cc2)cc1Cl 409011041 FPAFFFVTRIFWNY-MTJSOVHGSA-N 420.681 5.794 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409198953 AONLGQABMLJPHD-YDZHTSKRSA-N 421.409 5.671 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Br)cc1 409209762 IKYAUSTZJBZFAL-MFKUBSTISA-N 424.338 6.486 30 40 HKEB Clc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Br 409211080 KNXQQCIWQJVHNS-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1 409219545 RSWABXNWCMOBOV-KOEQRZSOSA-N 401.487 5.667 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4C)NC3=O)cc2)cc1 409228226 WDIQRHRCWSPSSA-JCMHNJIXSA-N 416.571 6.346 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 1794180 ZMMWIBQDVKQMBW-UHFFFAOYSA-N 412.945 7.233 30 40 HKEB CSC(=Nc1ccc(Oc2ccc(N=C(SC)SC)cc2)cc1)SC 2179606 IFNWSLSQMYJNRB-UHFFFAOYSA-N 408.639 6.906 30 40 HKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c2ccccc12 2348379 UPMVFTFEZZCKQY-HHHXNRCGSA-N 405.522 7.015 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cccs4)s3)c2C#N)C1 3117229 LXOBOGJXJLGNRK-KIQCMGJBSA-N 410.633 7.311 30 40 HKEB CN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 4706063 FLTRILBCYUFBEW-VTPGEFINSA-N 405.582 5.509 30 40 HKEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 6266044 CZXNEWQTOMPCAX-NRFANRHFSA-N 418.928 5.430 30 40 HKEB C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1 8132710 ZZQHJECGPHJOSJ-UHFFFAOYSA-N 403.511 5.036 30 40 HKEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 8742268 WHKRYIPAYUKVLW-UHFFFAOYSA-N 420.346 5.719 30 40 HKEB Cc1c(OC/C=C/c2ccccc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8990548 SFPZMSYMJZLNDB-GMHHKNSISA-N 421.496 6.195 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 12524360 QMGMBUOMGVPKSK-ZRBLBEILSA-N 407.498 5.032 30 40 HKEB C/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1 12602608 SKWGSEBAZCBXPL-OINPPHAGSA-N 406.736 5.045 30 40 HKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 12877730 ZFBVCHBAJWUCFA-SGMWPGOQSA-N 410.425 5.229 30 40 HKEB biogenic COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC 13303698 ACQPZYXOPJZGSE-YZSQISJMSA-N 410.477 5.274 30 40 HKEB O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 13714422 WJLJDYHMBOEPNM-SGEDCAFJSA-N 409.533 5.066 30 40 HKEB O=[N+]([O-])c1cc(/C=C/C=N\c2ccc(Nc3ccccc3)cc2)ccc1Br 16490521 SHNKDHXIGPBQOT-VPXYCZFYSA-N 422.282 6.517 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N 31829774 AGLFPKUPDNYHTN-WNJCXESFSA-N 409.574 5.534 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N\NC(=S)Nc2ccc(C)cc2)c1O 104276391 XFQVVONBOACZMR-MKRFAJQFSA-N 419.510 5.445 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@H](C)CC 408592736 NRBFKBSMAMKNJX-LVCXCXRVSA-N 406.866 5.375 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(OC)c1O 408908858 SNWWWNSJMQCOBU-KRYARFEHSA-N 422.550 5.370 30 40 HKEB N#Cc1ccccc1COc1ccc(-c2c(-c3ccccc3)cnc(N)c2C#N)cc1 408979058 LAKHYVRWVRGECX-UHFFFAOYSA-N 402.457 5.320 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(Cl)cc1 409023781 PNDXAKVPLYKYDW-RKQNKVCSSA-N 419.893 5.705 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409048018 VRZMONKWVPUGOU-YPXUMCKCSA-N 417.328 5.404 30 40 HKEB O=C1C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)c2ccccc21 409391158 HLNBDKWHPDBREP-UHFFFAOYSA-N 409.268 6.035 30 40 HKEB N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 2315031 RNSIXMJEDCLXEX-UHFFFAOYSA-N 412.539 6.324 30 40 HKEB Fc1ccc(Oc2ccc(/C=N/OCc3ccc(Br)cc3)cn2)cc1 4106352 BOGIFJPNYZRKMZ-FSJBWODESA-N 401.235 5.326 30 40 HKEB COc1ccc([C@]2(CC/N=C/c3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 4844293 PSIZCYKXAXCPTL-TUIZQPODSA-N 411.542 5.048 30 40 HKEB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1 4918026 VLCANCRXSXSBQM-UHFFFAOYSA-N 416.502 5.122 30 40 HKEB c1ccc(CC/C(=N/N=C(/CCc2ccccc2)c2ccccc2)c2ccccc2)cc1 5049419 AROHHHHPQBMXPI-SZDCHMHBSA-N 416.568 7.146 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC 5500121 RLPNLSDSJRYFRS-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB O[C@H](Cc1ccccc1)/C(Cc1ccccc1)=N/Nc1ccc(Br)cc1 5603620 OQKJETUUXLFLIA-FNBPXTNNSA-N 409.327 5.063 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2/C(Br)=C\c1ccccc1 6077157 VNVLZAVRMFRLKA-KFGZODLXSA-N 423.354 5.972 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(OC)c1 6544638 BPOGSSBRYCCFJT-GXDHUFHOSA-N 418.449 5.276 30 40 HKEB C[C@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 11416248 YAKKXWBGGAERBK-QGZVFWFLSA-N 421.545 5.117 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 12318441 CVSICFDKBAGPAV-HJOGWXRNSA-N 421.525 5.341 30 40 HKEB COc1ccc(CN/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC 20196357 FJANUYFXNRGURH-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB C=CCn1c(C)nnc1S[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 29382734 FCGOOJIRCYERGR-HNNXBMFYSA-N 423.973 5.677 30 40 HKEB CC(C)CNc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N 33324433 RHMLPWSKHIOGRI-UHFFFAOYSA-N 416.275 5.216 30 40 HKEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 36398089 VENQSKQQPNPZST-FQEVSTJZSA-N 423.563 5.012 30 40 HKEB CCN(CC)CCn1c(/N=C(\O)c2ccc(C(F)(F)F)cc2)nc2ccccc21 52683771 PUJNIYQBEOIWAK-UHFFFAOYSA-N 404.436 5.033 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)[C@@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C[C@H]12 100745267 FFBZDXFXMPXMPT-GGZASDKSSA-N 411.630 5.351 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 102561875 VZDWLWSNZDQGJI-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB CCN1/C(=C\c2c(C#N)c3nc4ccccc4n3c3ccccc23)C=Cc2ccccc21 103460292 YLSJGTWXRFRPFP-JZJYNLBNSA-N 412.496 6.407 30 40 HKEB O=C(/C=C(/CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 104066201 XJGXGZHDJYEUQO-MEFGMAGPSA-N 419.524 6.192 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c(O)ccc3ccccc23)cc1 104104011 GHOIBIHUGLCMII-PCLIKHOPSA-N 416.502 5.405 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)C2CCC(C(C)(C)C)CC2)c1 107090274 ZMZLTHXZNSEJIT-LVWGJNHUSA-N 400.632 6.497 30 40 HKEB O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccccc1 408906899 DYXJZBNRESGMMJ-WNIMSWJZSA-N 409.514 5.972 30 40 HKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(OCc2cccc3ccccc23)cc1 408931415 LHRKGBUIACCVRB-ZTKZIYFRSA-N 422.528 6.006 30 40 HKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)cc1C 409011556 GGTFTYYQNDEBPE-WPWMEQJKSA-N 416.590 7.027 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2C)S/C1=N/c1ccc(F)cc1 409246333 BEQGUMCKRLOISZ-DIRPYQRSSA-N 405.498 5.549 30 40 HKEB O=C(/C(=C(/Br)I)c1ccccc1)c1ccccc1 1642058 YRZKZKWBMCUQDP-SQFISAMPSA-N 413.052 5.068 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3769421 URNFQNBHXPVDBZ-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 4909760 GMUAHLKPDUUAGK-FTTRISJGSA-N 417.534 5.093 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c1 5150992 KXYRVOVQTHDTKI-FMCGGJTJSA-N 406.409 5.038 30 40 HKEB COc1cc(/C=N/c2nccs2)cc(Br)c1OCc1ccccc1 5675457 KSMLQMHUGSXRIB-SRZZPIQSSA-N 403.301 5.244 30 40 HKEB N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 7087896 QTWWQHGOASBHAE-AREMUKBSSA-N 420.516 5.364 30 40 HKEB Oc1ccc2ccccc2c1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12360342 JHSXJPYGYWOSBK-CEUNXORHSA-N 419.528 5.267 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1 13787190 SHIJLTGHHRFLKD-NDENLUEZSA-N 411.240 5.829 30 40 HKEB CC(/C=C1\S/C(=N/c2ccc(Cl)cc2C(F)(F)F)NC1=O)=C\c1ccccc1 17014228 IXPCPCNUBMTCOP-YZXVBUGESA-N 422.859 6.197 30 40 HKEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224625345 QUFUQYCWSKGFAO-UHFFFAOYSA-N 424.708 5.176 30 40 HKEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752902 YJBZJCAQVSXBFX-UHFFFAOYSA-N 417.292 5.241 30 40 HKEB O/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 226364355 KIIHTAQJZISRSQ-WSVATBPTSA-N 419.500 5.252 30 40 HKEB O=C1CCCC2=C1C(c1ccc(-c3ccc(F)c(Cl)c3)o1)C1=C(CCCC1=O)N2 408601135 IQBVYGFGFISOFK-UHFFFAOYSA-N 411.860 5.440 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 409201054 LOLOIQYUVUPJOB-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409212330 PZGJKJZUJONBFK-OESWBVNESA-N 413.499 5.252 30 40 HKEB Cc1ccc(C(=O)[C@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 1444057 FYSVTOIULMTRSN-TZRRMPRUSA-N 421.525 5.341 30 40 HKEB S=C(NN=C1CSc2sc(=S)sc2SC1)Nc1ccccc1 4182297 ZVGYLFJGUNVASP-UHFFFAOYSA-N 401.654 5.079 30 40 HKEB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OC 4663798 PFGGPRDFRBTNED-JOCHJYFZSA-N 423.553 5.907 30 40 HKEB CCCC/N=C1\S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1CCCC 5552199 FYERONHLWLPXBA-ADGFTTEDSA-N 416.974 6.473 30 40 HKEB Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/c2ccc(Cl)cc2)cc1 6142599 GKTBRCHFSWYZIF-DHRITJCHSA-N 419.937 5.867 30 40 HKEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CNCCCN(CCCC)CCCC)[C@@H]3C[C@H]12 6778348 CURRYBTXBNEGJH-TYUWDEHNSA-N 418.666 5.183 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(C(=O)C1CCCCC1)c1ccccc1N2 9264160 JYJPMXIAUVFUQV-RUZDIDTESA-N 400.522 5.774 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 12559510 XKHGQAOXSWITPW-OVVQPSECSA-N 415.802 5.361 30 40 HKEB FC(F)(F)c1ccccc1/N=c1\scc(-c2ccccc2)n1/N=C/c1ccccn1 12660938 MHPIHPKLIMSSHJ-PCZYFIFOSA-N 424.451 5.745 30 40 HKEB CC(C)Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1 12887971 CPISTZVDVRKSPB-HSZRJFAPSA-N 424.591 5.027 30 40 HKEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 13881317 SYZRUOFKIVWNIB-YBEGLDIGSA-N 404.285 5.240 30 40 HKEB N#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59676225 ZSHYHBSWSKUGJA-WGOQTCKBSA-N 415.518 5.532 30 40 HKEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Cl 59679710 KDTMZOJCZMBSTG-WSDLNYQXSA-N 417.690 5.430 30 40 HKEB CCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 97983544 KJISQDPXFXDOSZ-NRFANRHFSA-N 423.538 5.018 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc1OCC 100299213 VSFXCUYXIKXZDH-BUUFFXLRSA-N 410.539 5.498 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C\Nc1ccc(Cl)cn1)C(=O)c1ccccc1-2 101696687 KFTDVDSVKLVSDK-LFIBNONCSA-N 408.841 5.129 30 40 HKEB CCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 102568320 UZUSKDDNZCFXKC-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 253616939 AMLPMOKTYSXKFI-JKQCUQMQSA-N 408.561 5.924 30 40 HKEB COc1ccccc1C(=O)O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 408722035 CGVJJCHXNIVZIQ-LVWGJNHUSA-N 418.449 5.024 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)cc1 408912913 RWHIUROSWVWQGC-DYEBMTOPSA-N 419.462 5.397 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408946585 YYBKLYNWXRTGMO-CGJSUDSXSA-N 414.936 6.926 30 40 HKEB C#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409086698 WJCVXVVBMKKYCI-LVCNHQDNSA-N 410.498 5.507 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409200502 HROMTKQQWHVJCX-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br 409212646 RFSJWHJPVLELNV-UFWORHAWSA-N 417.528 5.933 30 40 HKEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2 2083693 UZQZPNPAQCQYCH-GFCCVEGCSA-N 423.365 5.992 30 40 HKEB N#CCCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1 3235553 XBGUFQMBDAEFLB-UHFFFAOYSA-N 408.457 5.097 30 40 HKEB CCOc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)c1C#N 5657121 SJVIVFSVDFPQJO-UHFFFAOYSA-N 403.696 6.646 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 8811674 JQYSTWHYCFXQGL-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB COc1ccc2c(c1)oc1c(-c3ccc(Br)cc3)c(C#N)c(N)c(C#N)c12 9113081 YXZMXCJSDHUNST-UHFFFAOYSA-N 418.250 5.350 30 40 HKEB Cc1cccc(-c2ccc(/C=C3\C(=O)SC(=S)N3CCCCCC(=O)O)o2)c1 11692956 HWACEYBJUGVJNL-GHRIWEEISA-N 415.536 5.101 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21 11865055 JUOIOUIVYCFMOZ-YUMHPJSZSA-N 422.455 6.688 30 40 HKEB O=C1Nc2ccc3c(oc4ccccc43)c2/C1=N\Nc1ccc2c(c1)oc1ccccc12 13765981 UAZKTMUHODKPDF-UHFFFAOYSA-N 417.424 6.254 30 40 HKEB O=C1C[C@H](c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 17043586 VEMPDYHQRSRTSS-UXDFZSADSA-N 403.463 5.494 30 40 HKEB Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O 17312930 JHOYSQJJZDPVRT-YAGSLNJISA-N 420.512 6.883 30 40 HKEB COc1ccc(/C=N/c2ccc(Br)cc2C(=O)c2ccc(C)cc2)cc1 26893579 KQNAFBONYPLYJQ-ZVHZXABRSA-N 408.295 5.748 30 40 HKEB Cc1ccc(NC(=S)NCCCNc2nc3c(C)cc(C)cc3cc2C#N)c(C)c1 35312808 JFHJZSFDZNBJJX-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB Cc1cc(Cl)c(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1 38182150 XKUGGVCERJQDLD-NGYBGAFCSA-N 419.500 5.335 30 40 HKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 102065709 UHLBHGJTTSODFB-KRWDZBQOSA-N 407.620 6.519 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C 253505103 PRYIJAGAEJZDBO-LWLSNHJLSA-N 402.663 6.600 30 40 HKEB biogenic,in-vitro C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408575672 WUAZXJIYWNJSIH-QGZVFWFLSA-N 400.862 5.193 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccccc4C#N)o3)c2C#N)C1 409081327 PNRRBQLHBLBIEM-HVAQTUQNSA-N 413.546 6.653 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 585294661 TVYRVHDYSVBFCA-JOCHJYFZSA-N 418.570 5.084 30 40 HKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2Cl)C[C@H]1c1ccc(F)c(Cl)c1 1554503149 JSOSTCQKJHAXAU-YWZLYKJASA-N 407.268 5.452 30 40 HKEB FC(F)(F)CNc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)cc1 1565673307 VLMRDGYYWBVYDH-UHFFFAOYSA-N 401.244 5.653 30 40 HKEB C=C(C)[C@@H]1C[C@H](c2ccc(C)c(C)c2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879077 OKCKLSOCZACWOF-COFNMNJVSA-N 412.501 5.732 30 40 HKEB COc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 3095176 VURDBTUYMIIZPM-AFUMVMLFSA-N 421.905 6.533 30 40 HKEB Cc1c(Cc2ccccc2)sc(/N=C/c2cc(Cl)cc(Cl)c2O)c1C(N)=O 4195938 XSNRQYRDYCVQEW-YSURURNPSA-N 419.333 5.509 30 40 HKEB Cc1cccc(C)c1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 4269978 HOHPELODPFBBNR-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB O=[N+]([O-])c1ccc(/C=N\N=C2/CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1 4459233 CRBUWAZQXGYSMH-PBQJWYBUSA-N 414.509 6.283 30 40 HKEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 4701612 YTBYEPFFWXYNCN-LMICACPXSA-N 400.887 5.192 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccccc1 6201754 HIBNFTDMKLITEO-LJQANCHMSA-N 410.304 6.601 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)cc2OC)C3=O)cc1 12663009 SCUMTXZNMISNOR-MXAYSNPKSA-N 414.457 5.542 30 40 HKEB biogenic COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O 13769079 LZGPIVGMELEPNE-MTJSOVHGSA-N 406.821 5.184 30 40 HKEB CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 14134487 QLDBTTKMLVHEOY-UXHLAJHPSA-N 415.496 7.210 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1C 16362413 LHSSGKPVKFAQCK-BKUYFWCQSA-N 419.525 5.742 30 40 HKEB Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=N\Nc2cccc(C)c2)cc1 26966894 FUPFJIVECWUOCE-RWEWTDSWSA-N 414.534 5.266 30 40 HKEB CCCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704991 VWCIIFHNIITXDH-QHCPKHFHSA-N 404.642 8.137 30 40 HKEB CCCCCCCCCCCCCCCCn1c(NC(=O)CC)nc2ccccc21 97949654 WBFZHAWCAAOLHN-UHFFFAOYSA-N 413.650 7.866 30 40 HKEB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 100117656 GXPVENMMDSUEJS-BMNAXSRBSA-N 414.936 6.296 30 40 HKEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 102947755 SVCWVUZAPDXGGI-HPNDGRJYSA-N 424.331 6.609 30 40 HKEB COc1cc(/C=N/Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408807094 CANXEPCUPVPAGM-ZMOGYAJESA-N 401.293 6.027 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1Cl 409118136 OYRMDNDNMUNWRW-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)Nc1ccccc1N2 1076942 UZEZRWTXYALUAT-CLYVBNDRSA-N 422.553 6.881 30 40 HKEB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2737883 JYLQERGOJFRNAE-ZIAGYGMSSA-N 416.974 5.830 30 40 HKEB ClC1=C(/C=N/OCc2ccc(Cl)cc2Cl)CSC2=C1Cc1ccccc12 3128573 DIHRZARYJQZZPY-PGGKNCGUSA-N 422.764 6.703 30 40 HKEB C=C(C)COc1ccc(-c2ncncc2Oc2ccccc2Br)c(O)c1 5555880 IBOAIPIXEBZREZ-UHFFFAOYSA-N 413.271 5.359 30 40 HKEB N#Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 6372852 UBLQAKQNPDBLAW-UHFFFAOYSA-N 409.367 5.082 30 40 HKEB CC[C@@H]1CS/C(=N\c2ccccc2C)N1C(=O)[C@@H](C)Oc1ccc(Cl)cc1 6584958 KRIMDSIDXSWQRU-XXYATWEASA-N 402.947 5.457 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1 9319553 UBTZHZPRBUEGLR-UHFFFAOYSA-N 410.951 6.188 30 40 HKEB N#C/C(=N/Nc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 9329866 PVBWDOIQAQGCDA-HAHDFKILSA-N 417.719 5.566 30 40 HKEB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 17093696 XTYYQDFJEOHGAX-USYSOWRXSA-N 423.607 5.394 30 40 HKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccccc1 59247895 UERXOOIYAKHTGD-ATVHPVEESA-N 414.317 5.676 30 40 HKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 72229767 DAOBUUPMFFAVTC-JJFYIABZSA-N 417.332 5.509 30 40 HKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 111904282 GFRXIBBFTNNZAC-UDGIJHFQSA-N 414.933 6.416 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408778876 MTZZNZPGHOFRQU-LPYMAVHISA-N 414.290 5.758 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)nc1 408892013 XFIPIEHPWOTEJH-AUEPDCJTSA-N 417.252 5.322 30 40 HKEB CCN1C(=O)/C(=C/c2sccc2C)S/C1=N/c1ccc(N2CCCCC2)cc1 408930585 ZCFWLGQSQTZGAD-PKEPYMRNSA-N 411.596 5.671 30 40 HKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 408943416 SEAAMLRRQGBEST-LZYBPNLTSA-N 406.265 5.287 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 409017127 KDZJDSWIPWTBBC-JAIQZWGSSA-N 420.877 5.708 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCCC4)o3)c2C#N)C1 409084356 XSSDVJHOSPMGCD-GNYKCMPYSA-N 409.599 6.495 30 40 HKEB O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccccc12 409179117 NFEIQRWIWLGZQR-CMDGGOBGSA-N 409.329 6.686 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409216930 PVAKIQFBLLHUKR-BUVRLJJBSA-N 409.507 5.139 30 40 HKEB Cc1ccccc1NC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C 870713 NNLZXFZURFSXTE-UHFFFAOYSA-N 423.925 5.324 30 40 HKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 1248595 UDXFRLMNOGELRN-HRFSGMKKSA-N 410.517 5.983 30 40 HKEB CCOC(=O)c1c(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)sc2c1CCCC2 1793455 KCKMPNQQAKFXLU-DHRITJCHSA-N 423.534 5.885 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 1924065 VNDYLDBDHQIQJO-HBWCYYAZSA-N 424.500 6.937 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 2092914 BXSFWGLPOQRRKM-GFCCVEGCSA-N 421.393 6.720 30 40 HKEB CC(C)Oc1ccccc1[C@H]1NC(=O)NC(c2ccccc2)=C1C(=O)c1ccccc1 2752636 TTWWOIFMELTSQP-XMMPIXPASA-N 412.489 5.122 30 40 HKEB O=C(/C(=N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1)c1ccccc1 3272604 LVYVQTLHCDZDMR-FVGIXELJSA-N 418.496 5.972 30 40 HKEB COc1ccccc1/N=C/N(Sc1ccccc1[N+](=O)[O-])c1ccccc1OC 5662122 SFUXQAGDBCHFDU-PXLXIMEGSA-N 409.467 5.486 30 40 HKEB Cc1ccc2c3c(ccc2n1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N3 15024075 UJJCKQLVDUSOOU-NRFANRHFSA-N 419.322 5.870 30 40 HKEB Cc1ccc(/N=N/C(=N\Nc2ccc(C)cc2)C(=O)Nc2ccc(Cl)cc2)cc1 100142872 XPIIOPUBQIRMJD-YPGYYBNOSA-N 405.889 6.105 30 40 HKEB CCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)cc1 104891599 UGTZZMRMFMSQKK-XDHOZWIPSA-N 408.538 6.637 30 40 HKEB C=CCOc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 408564178 SKJCTOOUIPFECI-UHFFFAOYSA-N 409.938 6.449 30 40 HKEB COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408964113 BRHGADCKCDREME-BRJLIKDPSA-N 413.832 5.516 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1 408977384 IOCVEALFFKMDRI-AFUMVMLFSA-N 404.491 5.686 30 40 HKEB COc1ccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)cc1 409046676 LFOASMLGVQMTAX-UFFVCSGVSA-N 415.312 5.245 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 409089818 KJJKLFWTVGFKCY-PBVZKUNTSA-N 407.322 5.713 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Cl)c3O)c2C#N)C1 409092040 SLRDSTKAGLDTPF-LYORIEDSSA-N 407.366 6.534 30 40 HKEB Cc1ccccc1-n1cccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409308471 XKYSBAURJZRBQK-UHFFFAOYSA-N 410.521 5.426 30 40 HKEB N#Cc1ccc(-c2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 1531385519 LHQMNOCRJQMHIH-OGLMXYFKSA-N 416.440 5.077 30 40 HKEB CC(/C=C/[C@]1(C)[C@@H](C)C=CC(=O)[C@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 835744 ZLAQYJKDQSZARB-OLWBNLDESA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 2338620 MVPKNWWBVSLKDK-MRXNPFEDSA-N 424.635 6.185 30 40 HKEB N#Cc1ccc(OCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 3407224 XMXSNMRGMDEPRD-UHFFFAOYSA-N 404.278 5.006 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC3CCCCC3)n2)cc1 5917743 XQBIDRFAIUYQIK-UHFFFAOYSA-N 414.574 6.968 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 6177774 VDIZHDNQXKPOKR-YSURURNPSA-N 421.711 6.503 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 6399355 PTWZGVXKEQFRBH-ITTHSWSQSA-N 415.581 5.789 30 40 HKEB N#Cc1ccc(COC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)cc1 6602701 RCMOTZJNCZCSEU-UHFFFAOYSA-N 404.535 5.794 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 8770995 GAWSUVXJIYKUIH-IBGZPJMESA-N 422.506 5.125 30 40 HKEB COC(=O)Nc1sc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1-c1cccs1 8868780 SPZJNHKXKOUITR-CIAFOILYSA-N 414.556 5.793 30 40 HKEB C[C@@]12OC(c3ccccc3)=CC(c3ccc(Cl)cc3)=C1C(c1ccccc1)=CC2=O 16605586 HZUTYPQMKGUNQK-MHZLTWQESA-N 410.900 6.590 30 40 HKEB CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820389 WBQPLVLLFSHODS-UHFFFAOYSA-N 422.985 6.300 30 40 HKEB COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC 20195864 YYZPIDPMGBLDMN-WYMPLXKRSA-N 405.281 5.394 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 35339773 YYRDUGSLGUBVMO-PFMNSIPKSA-N 413.546 5.557 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)cc1 58268796 QAJWOGYOPKGQNW-OVVQPSECSA-N 409.537 5.897 30 40 HKEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)[nH]c3ccc(F)cc13)=C2 62001622 IBZUDMGFXTYXGM-UHFFFAOYSA-N 422.500 5.123 30 40 HKEB biogenic CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(C(F)(F)F)cc1 85413358 QDNUTDJOPIPYTJ-XMMPIXPASA-N 421.462 7.168 30 40 HKEB O=C(/C=C/c1ccccc1)C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 96306178 GDKSQHZNPZLJKS-UDFXALJUSA-N 410.922 5.528 30 40 HKEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102525719 NTFIXDODTUVGPY-MOBKVPTQSA-N 417.892 5.583 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 123230266 AVWJZXUEQFMBRC-RBLMGBGLSA-N 402.663 6.456 30 40 HKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 145933185 HRWNTDUWWIGJGK-LGJNPRDNSA-N 403.869 5.745 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc12 226362431 SRRGACVKPBGQEM-JXMROGBWSA-N 417.808 5.688 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408865500 CSPOIFOWSONDRA-GRSHGNNSSA-N 400.931 5.575 30 40 HKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)cc1 408909213 GPBUCTMMHZDZOF-AIQBXGKYSA-N 404.535 5.411 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OC 408910542 XCHZITUALHYUBI-LBMUFILHSA-N 422.550 5.501 30 40 HKEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408911735 OFYICUPBURGLKH-NVZLDUMVSA-N 415.474 5.399 30 40 HKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)o1 408967338 VBCYRSRXAGSMTQ-YBFXNURJSA-N 412.873 5.939 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409078037 HDLMEPQTMWAILH-XMFNYGHISA-N 416.930 5.371 30 40 HKEB COc1ccc(C2=C3C(=O)CC(C)(C)C[C@@H]3c3c(ccc4ccccc34)N2)cc1OC 1439901 HQALDWQZFJSRSZ-LJQANCHMSA-N 413.517 6.167 30 40 HKEB C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1800378 MPDLBBCSKWBKNK-VWLOTQADSA-N 402.563 5.461 30 40 HKEB CC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)ccc32)S1 2183593 XVXAZRKWTWDOHV-RELWKKBWSA-N 423.628 6.675 30 40 HKEB CC[C@H]1CCc2c(sc(NC(=O)c3sc4cc(C)ccc4c3Cl)c2C#N)C1 2740754 HIZYWJJNDYLGKM-LBPRGKRZSA-N 414.983 6.564 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 3044564 ZMCZPWGPJQTNER-YSURURNPSA-N 417.679 6.911 30 40 HKEB CCOc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4596872 CTPJMRYSBGNLCK-VUTHCHCSSA-N 405.497 7.122 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O 4910231 SICHJMIBEDWISB-FQEVSTJZSA-N 417.553 5.049 30 40 HKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 8935001 GZDNGCVWQJADJU-AUEPDCJTSA-N 411.776 5.652 30 40 HKEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 12406353 UYYMWZLOVWLSFG-DXNJJGIESA-N 410.517 6.541 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17092184 RDKBEMHZEHAXFE-ODCWNRFASA-N 420.472 5.526 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1ncnc1N2 18196295 RHXYBJSTRBUQKK-XTZNXHDOSA-N 417.321 5.062 30 40 HKEB O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccc([N+](=O)[O-])cc1 26893582 FUCGQBQQUAKGAZ-LPYMAVHISA-N 409.239 5.339 30 40 HKEB CCn1nc(C)c2c(C(=O)Nc3ccc(CC#N)cc3)cc(-c3ccc(C)cc3)nc21 36615800 UEIINKIKEWUKCU-UHFFFAOYSA-N 409.493 5.053 30 40 HKEB N#Cc1cccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 57486346 IXFJLRCUCGRDJH-UHFFFAOYSA-N 413.546 6.038 30 40 HKEB Cc1ccc(-c2c(C(=O)/C=C/c3ccnc4ccccc34)c(=O)[nH]c3ccccc23)cc1 95945280 LQMHBQCEOKPYOM-CCEZHUSRSA-N 416.480 5.948 30 40 HKEB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1\Sc2ccccc2C1=O 100209461 YPQSSRXJQNJUBH-PDGQHHTCSA-N 407.516 5.834 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 104123201 MKOJDDUNMDQJGY-JBCNATCCSA-N 403.865 5.275 30 40 HKEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 226236802 ZPVWAPVBGRAVMO-UHFFFAOYSA-N 407.267 5.488 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 408915921 RVOAFLINJYAWRZ-GCXIQGEKSA-N 402.494 6.251 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 408961586 NMYGCMSGYCHLKX-CIAFOILYSA-N 405.498 5.433 30 40 HKEB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)c2ccccc21 409121304 WBPDCCDOOVPKGB-MYYYXRDXSA-N 408.501 5.680 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409201752 NVEIKEWRRQEVBC-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)c1 409216307 GVMGFRXDNLUIJN-VULFUBBASA-N 406.913 6.033 30 40 HKEB CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1c(O)ccc2ccccc12 971119 ZOMIMUZDMGRQBH-FSJBWODESA-N 407.516 6.263 30 40 HKEB Cc1ccc([C@@H]2N=C(SCc3cccc(F)c3)NC3=C2C(=O)c2ccccc23)cc1 4085546 VZFOQIJJAFQYES-QFIPXVFZSA-N 414.505 5.675 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O 4910618 XNLUDRULBSSUBG-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB CC(C)Oc1ccc(-c2nc(N/N=C/c3ccccc3F)c3ccccc3n2)cc1 5033109 ASEMXCAEDBLYOP-CVKSISIWSA-N 400.457 5.669 30 40 HKEB C=CCn1c(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1C1CCCCC1 9054110 GTBZORAHQYSXFP-INIZCTEOSA-N 409.559 5.724 30 40 HKEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 13881569 HIXKYJKKNUSIGH-ATVHPVEESA-N 401.919 5.123 30 40 HKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 20761482 QZABVHMWPVBVOM-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB CCc1ccccc1NC(=S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N 35311736 YHHWRKUUPDITDX-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 43743184 GRBHNQFQFHLCHO-AYVWMHEESA-N 424.713 8.233 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@@H]12 72986116 CLAGILMPDRRMOU-OQKNHUCHSA-N 422.718 7.420 30 40 HKEB O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccc(F)cc1 100457545 AJBQVIZKOKAQSR-WYMPLXKRSA-N 422.506 5.867 30 40 HKEB CCCCCCCCN(CCCCCCCC)[C@@H](C)[C@@H](O)c1ccc(Cl)cc1 100691172 LOECSSCDXGDTPJ-WIOPSUGQSA-N 410.086 7.785 30 40 HKEB Oc1ccccc1/C=N/c1c(O)nc2ccc(Br)cc2c1-c1ccccc1 100703757 QZSLLCZUUWFWFK-ZMOGYAJESA-N 419.278 5.826 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102856826 PCEHNVGTLCVFLP-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N/NC(=S)Nc2ccccc2)c1O 104276367 JGTJKFGCJPSLTI-QMSJJHEMSA-N 405.483 5.137 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 109450348 KTLHSBGWPPYBFL-NKFKGCMQSA-N 420.553 6.241 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c2ccccc12 408738775 OEPPBJHSRUHNNI-MTJSOVHGSA-N 422.937 6.092 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OCC 408739664 YQVOAZLSTHJZQE-ODLFYWEKSA-N 416.930 5.337 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 408907336 MDYWOESEKUMDIN-ADIFGEIESA-N 418.949 6.705 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408967749 UKLZQZHJSGFYEO-DHRITJCHSA-N 424.884 5.373 30 40 HKEB COc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 408971813 LUPFIEGLBGOHHN-AWQFTUOYSA-N 422.735 5.681 30 40 HKEB C=CCN(CC=C)C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408978839 NMNDAKAOBTZPOH-UHFFFAOYSA-N 417.559 5.901 30 40 HKEB N#Cc1c(/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)sc2c1CCCC2 409103443 GYWJYUWEWGXWQX-WYMPLXKRSA-N 421.507 5.099 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(C)cc1 409117075 KNQIYHVKEVXCKD-UHFFFAOYSA-N 401.550 6.486 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 409212194 PYWASJXXJZAVCD-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 409213238 TYFURZZVJYXIEF-QMSJJHEMSA-N 409.599 5.746 30 40 HKEB O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)Cc2ccccc21 409367813 HDASNNQORNZDFQ-LFIBNONCSA-N 402.362 5.118 30 40 HKEB FC(F)(F)CNc1cccc(OCCCC(F)(F)C(F)(F)Br)c1 1083811703 GLOKYAYORCJOCO-UHFFFAOYSA-N 412.143 5.443 30 40 HKEB Cc1cc(O)c(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c(C)c1Cl 903972 URZHWYKZMUJQST-BRJLIKDPSA-N 413.304 6.319 30 40 HKEB Cc1nn(CCC#N)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 2647785 PXPHQKJDXBNMPQ-UHFFFAOYSA-N 409.209 5.102 30 40 HKEB C#CCOc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1 4631208 IMQIRUHBDPDOLC-UHFFFAOYSA-N 404.513 5.862 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(Nc3nc4ccccc4s3)cc2)cc1OC 4880789 GDGPPHHRWOVASU-NTUHNPAUSA-N 416.502 5.953 30 40 HKEB CC[C@H](C)Nc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 5454857 ZGQDDDGOLITISL-HNNXBMFYSA-N 402.929 6.122 30 40 HKEB C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(Br)cc1 6204578 SXKYCIFTDSKOPN-UHFFFAOYSA-N 400.345 5.494 30 40 HKEB C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 9328473 VESZTFSVEDBSKK-UHFFFAOYSA-N 400.891 5.143 30 40 HKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc2ccccc2c1 12570820 NLQUWGUKYQNUHM-FUZGGDMFSA-N 423.541 6.336 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 13482281 BPBWXYUJJPCQEA-VSUDMRMVSA-N 404.510 5.041 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@@H]2c1ccc(Cl)cc1Cl 17173023 LOHHERLGJHQIKL-CYBMUJFWSA-N 422.337 5.352 30 40 HKEB Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 32984218 QJFNFGHAIUOSGY-UHFFFAOYSA-N 409.894 5.298 30 40 HKEB N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[C@@H]1c1nccs1 35362266 YNMNKRNIFZMLLF-XWMDNHSHSA-N 421.330 6.128 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 408761584 GNRLMBUHVRDUFO-RGEXLXHISA-N 406.532 5.885 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OCC(C)C 408906206 AYZXPSPSGDRKHU-QMSJJHEMSA-N 424.566 5.742 30 40 HKEB O=C(c1ccc(Br)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243193 SGBYBRLBLHLJFG-UHFFFAOYSA-N 421.028 5.239 30 40 HKEB COc1ccc(Br)c(/C=N\c2cccc3cc(OC)c(OC)cc23)c1 1857511 MKPKJMRTAOPOIE-UUYOSTAYSA-N 400.272 5.379 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 1952960 OWOBRUCILNDRQV-OAMFTAOGSA-N 400.869 5.542 30 40 HKEB O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1ccccc1 2266687 ZUURTBSFJCPVOU-NGBZPGHQSA-N 414.504 7.061 30 40 HKEB biogenic CC[C@@H](C)C(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 2345439 LLQCGCIAGCJYGK-MRVPVSSYSA-N 410.280 5.101 30 40 HKEB COc1ccc(/C(=N\Nc2ccccc2)[C@@H](C)C(O)(C(F)(F)F)C(F)(F)F)cc1 5065301 KNOFAXSPFPCKBS-PBIBQNEFSA-N 420.353 5.003 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(Oc2ccccc2)c1 5485119 ZTCANJMJTHFIAB-ZMOGYAJESA-N 401.344 5.852 30 40 HKEB Fc1c(F)c(F)c(N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(F)c1F 16430388 QMGDMGOLMGYPSG-HGBQSQDTSA-N 421.152 6.395 30 40 HKEB C/C(=N/N=C(\C)c1ccc(Br)s1)c1ccc(Br)s1 17377365 JNKTVWWYRDYKSI-BSHIDLADSA-N 406.168 5.568 30 40 HKEB CCCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 19831733 MHCYRRKTMDEKHO-ILBGXUMGSA-N 411.545 6.071 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820994 IOIZWEJGGCZDOL-BXLWXSRCSA-N 400.647 6.568 30 40 HKEB in-vitro CCCCOC(=O)c1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 408595055 VMEOHYWQUAWPDN-BUVRLJJBSA-N 422.437 5.362 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 408722601 LUIWRAZOHOCPDT-VULFUBBASA-N 423.368 7.843 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1C 408966065 JSQOUXYXCKRDLF-HAHDFKILSA-N 415.562 5.857 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1N1CCCC1 409060570 URVIYEIZCUWCON-FQNOVECQSA-N 405.611 6.430 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)nc1 409095883 IQSGXJCOLDIDRS-OPVMPGTRSA-N 400.187 6.113 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br 409112311 FTXCRSOZVGPZLC-UHFFFAOYSA-N 423.148 5.398 30 40 HKEB CC(C)(C)C1=CCC=C(C(C)(C)C)C#CC(C(C)(C)C)=CCC=C(C(C)(C)C)C#C1 1081818852 AKOZLDAZLCZMKA-UHFFFAOYSA-N 404.682 8.677 30 40 HKEB biogenic C/C(=N/OCc1cccc(C(F)(F)F)c1)c1cccc(N2Cc3ccccc3C2)c1 4051083 DGYNESCKURYOLT-QRQIAZFYSA-N 410.439 6.166 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O 4150560 DJOIOWLAIZGMNM-FSJBWODESA-N 403.394 5.176 30 40 HKEB C=CCN1C(=C/C=C\c2ccc3cc(C)ccc3[n+]2CC=C)C=Cc2cc(C)ccc21 4824955 NIGJLEDSHBBOMA-UHFFFAOYSA-N 405.565 6.547 30 40 HKEB O=S(=O)(Oc1ccc2ccccc2c1/C=N\CCc1ccccc1)c1ccccc1 13646333 HKOFATUWLZCHNR-XHPQRKPJSA-N 415.514 5.269 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCc3cc4c(cc3Cl)OCO4)n2)cc1 20120537 QJYXTKSVTGJPGM-UHFFFAOYSA-N 410.882 5.303 30 40 HKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)c1 20891048 OMGQCNXVNUJLKF-UHFFFAOYSA-N 419.868 5.959 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28217537 DQYKKNYODMVUBL-FSJBWODESA-N 417.365 5.721 30 40 HKEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCCOc1ccc2ccccc2c1 46084952 ZCAZLUVNYBWYNF-CLCOLTQESA-N 415.276 5.141 30 40 HKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 72229768 ALEZPVCJYFKYKM-RMORIDSASA-N 407.326 6.053 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 100436967 SKDVXLOWFLNJGV-WRKLRJIISA-N 406.507 5.352 30 40 HKEB Oc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 101754106 ZSPQKNAKQHRSQE-JMIUGGIZSA-N 408.704 6.303 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 102561922 KRWXVRSVMJHTOC-UHFFFAOYSA-N 403.994 6.768 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)(C)O 138505411 JWUBBDSIWDLEOM-UXSAMVOZSA-N 400.647 6.734 30 40 HKEB biogenic,in-vitro C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(SC)cc1 224985931 SYHOEFFESQPNJJ-UHFFFAOYSA-N 421.893 5.462 30 40 HKEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1C[n+]1ccccc1 229600153 SYUGLBZIXVZTRT-PPKJMBTNSA-N 422.589 5.500 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(F)cc3)S2)cc(C)c1Br 408757842 CZWALTZAQVHXPK-DHDCSXOGSA-N 405.292 5.097 30 40 HKEB COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 409386020 QCVUHQBJOIXUFT-RMORIDSASA-N 420.248 5.623 30 40 HKEB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575361151 SGIDZYIPXCLGDC-UHFFFAOYSA-N 410.129 5.740 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 1098550 LPWNIKCESQXPHT-RDRPBHBLSA-N 420.516 5.148 30 40 HKEB CC[N+](CC)(CCC#C[C@](O)(c1ccccc1)C1CCCCC1)Cc1ccccc1 1798060 AOWKZOFSNTYSCX-NDEPHWFRSA-N 404.618 5.905 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 2450366 JVMBKCCTEWFOKH-UHFFFAOYSA-N 414.870 5.271 30 40 HKEB O/C(COc1ncnc2c(Cl)cc(Cl)cc12)=N\c1ccc(F)c(Cl)c1 3337515 IPBLKWPNVRDQNJ-UHFFFAOYSA-N 400.624 5.396 30 40 HKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4048069 FHGYXJXNZVJCOO-KMRXNPHXSA-N 424.544 6.455 30 40 HKEB C(=N/c1ccc(-c2nc3ccc(/N=C/c4ccccc4)cc3[nH]2)cc1)\c1ccccc1 8462667 AXQXABFBLHXYOX-UOSOPFLXSA-N 400.485 6.731 30 40 HKEB Cc1ccsc1/C=C/c1nc2c(c(-c3ccccc3F)c1C#N)C(=O)c1ccccc1-2 8925709 UHDXVOVDRMPIRL-ZHACJKMWSA-N 422.484 6.511 30 40 HKEB Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)nc3sc(C)c(C)c23)cc1 22168240 FNFAESHZXVVBPF-MRXNPFEDSA-N 424.595 5.352 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3cccc(OCCC)c3)o2)CC1 27562427 MBNAXGVAIWZCNT-YZSQISJMSA-N 408.546 6.245 30 40 HKEB Clc1ccc2nc(N/N=C/c3ccc4nccnc4c3)cc(-c3ccccc3)c2c1 46085324 ZXFLVPNJCUGBNJ-RWPZCVJISA-N 409.880 5.944 30 40 HKEB CCCCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 101333204 VZJRFNPTRKJTAC-SFHVURJKSA-N 407.813 6.360 30 40 HKEB CCCCCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 104344236 UVMHWLGGWIUKAI-UHFFFAOYSA-N 409.570 7.529 30 40 HKEB O=C(CO/N=C\c1ccccc1OCc1ccccc1F)Nc1ccc(Cl)cc1 109029941 DYUFKSAUPWUSES-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118915916 FMUVPGOCTWGNEY-XSRZUMJWSA-N 402.619 6.004 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 148501620 ZWKHVROBACTZFH-AXNZHVIBSA-N 417.505 6.237 30 40 HKEB C=CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 222561200 LQYZKVFOQUXUFU-JWGURIENSA-N 418.518 5.031 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329331 YBQALWKUYMMBEA-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 408760231 UVYSCASZPNKCEO-VUTHCHCSSA-N 424.544 7.208 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 409203801 YCNSFYKEOPBVTK-DHRITJCHSA-N 400.305 6.640 30 40 HKEB O=C(c1ccc(Cl)cc1)c1ccc2oc(-c3ccc(Cl)cc3)c3c2c1C(=O)C=C3 670417846 SKOMHLCHGJGZFW-UHFFFAOYSA-N 419.263 6.847 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 3113180 LTIXIMAXTSDWBJ-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc(F)cc1 4672417 NPMSZIYXZZTPCV-YCRREMRBSA-N 420.524 6.212 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccc(Cl)cc2)o1 5543125 GFBQDYVRKICYFM-PKNBQFBNSA-N 409.268 7.410 30 40 HKEB Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4cccc(C)c4)NC3=O)cc2)c1 5797624 BIXQGCZPMWIDGP-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB COc1cccc(N/C(S)=C(/C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1 7109698 MIOGRNNQEZNMEW-UHFFFAOYSA-O 419.570 5.331 30 40 HKEB C(=N/N=C/c1cccc(COc2ccccn2)c1)\c1cccc(COc2ccccn2)c1 9193763 VAPKXMDOJQTSPL-YAGSLNJISA-N 422.488 5.088 30 40 HKEB Cc1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12524158 FPUHPGWIWUKDKK-DARPEHSRSA-N 405.841 5.164 30 40 HKEB Cn1/c(=N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2ccccc21 13109689 FXWJHYRPMILAQX-BISWJPHYSA-N 415.547 5.089 30 40 HKEB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)c1ccc(I)cc1 16740835 CVHXWCSXUJZPML-XCVCLJGOSA-N 418.152 5.086 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 18197314 FHRZKUVZYSDELW-XTZNXHDOSA-N 417.321 5.062 30 40 HKEB CSc1nc(N[C@H](C)c2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820480 ZKTLIWJLWFNPLD-MRXNPFEDSA-N 402.567 6.208 30 40 HKEB C[C@H](/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O)c1ccccc1 96316592 VBQFZLXDNSQZRE-GNYKCMPYSA-N 424.529 5.622 30 40 HKEB C=CCOc1c(Cl)cc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 101651385 KAENCRJCWMNLPC-KRWDZBQOSA-N 419.308 5.148 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102588256 UEJWTGIHMWGGPS-IBGZPJMESA-N 400.434 5.373 30 40 HKEB CC1[C@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@H]12 102668736 SOTMWCFQLUSXKP-SCPDWHHUSA-N 415.503 6.062 30 40 HKEB C/C(O)=N\C12C[C@H]3C[C@H](C1)CC(/C(O)=N/CCSCc1ccc(Cl)cc1)(C3)C2 103762151 KWLOWZOQMSAXRV-HTAFUYNTSA-N 421.006 5.845 30 40 HKEB CC(=O)[C@H]1[C@@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118920566 KKCSMFAZRNSRNN-GINUQZJTSA-N 400.632 5.276 30 40 HKEB COc1ccc2c(c1)OCc1sc(/N=C/c3c(OC)ccc4ccccc34)nc1-2 408722117 FANYBRIYHNSTKZ-WYMPLXKRSA-N 402.475 5.624 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408861388 RKHSQZATCXWSGT-XKZIYDEJSA-N 413.502 5.530 30 40 HKEB N#Cc1ccc(COc2ccc(Cl)cc2/C=C2\Sc3ccccc3NC2=O)cc1 409091027 SHDFKVJRDZXMIB-UUYOSTAYSA-N 418.905 5.876 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccccc1 409210197 IXSRILADIIJRRD-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889179232 NJWYLVQOSGELIN-AINGHDBKSA-N 420.637 6.776 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@H]2C=Cc3ccccc3N21 1106677 CLWXLWXIKDFAQX-DSNGMDLFSA-N 419.459 5.110 30 40 HKEB COc1cccc(C(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)c1 1402736 FPBMMIXRIGQGDC-AFUMVMLFSA-N 419.868 5.163 30 40 HKEB CCCCc1ccc(C2=C(O)C(=O)C(c3ccc(CCCC)cc3)=C(O)C2=O)cc1 1711805 CMAPBQSQMJIHSS-UHFFFAOYSA-N 404.506 5.762 30 40 HKEB O=C1CSC(=S)N1/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3252638 OUILHGNJJRPKKF-HZHRSRAPSA-N 403.532 5.351 30 40 HKEB COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1O[C@@H](C)c1ccccc1 4083367 SJFFCPZPOBBIKG-FLVDCRJSSA-N 405.523 5.156 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3)cc2)cc1 5418859 ZEPZDFOALODMLI-ZXVVBBHZSA-N 401.506 6.534 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccco1 13770148 ZDBOOLIFKCJEQS-ZDLGFXPLSA-N 401.201 5.422 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1ccc(OCc2ccccc2)cc1 14257487 JGFDWBNSLXIQDX-ZXVVBBHZSA-N 413.546 6.534 30 40 HKEB Cc1cccc2c1[nH]c1nc(N/N=C\c3c4ccccc4cc4ccccc34)nnc12 15015379 BDUKBHXDUOFMQX-WGARJPEWSA-N 402.461 5.567 30 40 HKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCCC1 15220131 FLHVPPZLQKSDTD-SHSCQTOKSA-N 401.535 6.105 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1F)[C@H]2c1ccco1 15826305 FQDIYEBDWUEAJP-VWLOTQADSA-N 416.496 6.235 30 40 HKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 16736696 NFSBEGUMUMWDMQ-VDZCTEQFSA-N 419.864 5.111 30 40 HKEB N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 19817756 MANGFGHGCHDVHO-VWPQPMDRSA-N 413.527 5.219 30 40 HKEB CCCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19850602 XGOGLOWKTNVKDQ-VFCFBJKWSA-N 411.549 5.197 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)C[C@@H](C)C4)o3)o2)cc1C 33027130 MIUPWXZLPCAYPZ-HZPDHXFCSA-N 405.498 5.484 30 40 HKEB O=C1CN(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 50097466 GKRLUHYJSCSELM-XHEHIBSSSA-N 424.331 5.371 30 40 HKEB CCCCCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 68564943 LASRSEIIZKSQPZ-UHFFFAOYSA-N 408.589 5.641 30 40 HKEB biogenic Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(C3CCCCC3)C1=O)OCO2 100262761 PSOXVNDYIWEJIW-QMSJJHEMSA-N 420.534 5.660 30 40 HKEB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC3=C2C(=O)c2ccccc23)cc1 102930127 RJUSCLCKSYZBEZ-NBGIEHNGSA-N 417.508 6.531 30 40 HKEB C=CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl 219802177 FZTNZHOWTOVNQQ-UHFFFAOYSA-N 412.407 5.935 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1Cl 408591774 KJNOARRTHDSYQO-VULFUBBASA-N 406.869 5.350 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccccc2Br)cc1 408848267 SQEOKBSQZZZOED-QRVIBDJDSA-N 410.267 5.477 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 408907291 AQSKFCHBZANMGO-OBUXZSPNSA-N 414.530 5.547 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408955715 YRMBXIZHBVCWHL-UYRXBGFRSA-N 409.898 5.031 30 40 HKEB CC[C@H](C)n1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409031048 GDGVMRRWPKIXSG-GQWYGNIFSA-N 411.365 5.943 30 40 HKEB Cc1cccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409202226 QMERIDJYDLLPSX-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409218924 YNOPUCXXSOZFAI-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB O=C(c1cc(F)cc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242936 MWBPAPQWTDKBGB-UHFFFAOYSA-N 410.129 5.495 30 40 HKEB CC(C)c1ccc(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)cc1 1266901 JLDSKUMFEOPFPB-LFVJCYFKSA-N 404.539 5.746 30 40 HKEB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C#N)c2c1CCCC2 2315632 HCXGKJKIFUDFQI-UHFFFAOYSA-N 406.338 5.178 30 40 HKEB CC(C)Oc1ccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 4613956 HWRJSXIPIUUQDP-LZBHNULWSA-N 411.571 5.236 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OC 4828353 BSQMBRJYUYIBAM-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 5006208 XBSWYFHETMCVPT-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OC 8363372 KCZNEMZJEAFGSN-RERTVAKNSA-N 410.539 5.498 30 40 HKEB Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 12462032 IMNDFBDCURASER-NIRIFSCTSA-N 419.589 5.445 30 40 HKEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@H]1CCCc2ccccc21 13728499 IIABLFJNXHZBCQ-IBGZPJMESA-N 421.953 5.053 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(C)c1 14082170 YMMXECPOMOMUPG-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 19847871 QXTJFNRAFHZODL-SPLOXXLWSA-N 413.564 5.043 30 40 HKEB C=CCn1c(SCc2cccc(C)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 57519934 NNOTZHQPPJWTHK-UHFFFAOYSA-N 401.535 5.189 30 40 HKEB Cc1sc(N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)nc1-c1ccccc1 59193899 MLRFUZFUBPADJZ-CVKSISIWSA-N 417.509 6.283 30 40 HKEB Clc1cccc(Cl)c1N/N=C/c1cn(-c2ccccc2)nc1-c1ccncc1 84572971 FVXOMKAXJOBZJF-DHRITJCHSA-N 408.292 5.687 30 40 HKEB COc1ccc(/C=N\CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 100305882 CIMBWRCZKFKGHE-YQUKCCFRSA-N 403.478 5.074 30 40 HKEB biogenic CCCCCCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N 100931354 SYOCCJLXTIULPY-UHFFFAOYSA-N 423.736 7.615 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC 135989159 UGOISEAHKPLTNH-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB C=CCOc1cccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)c1 225868633 OYYWIYJPQPKLNI-UHFFFAOYSA-N 412.555 5.025 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 408806113 AUFNYLJGQFBUNO-ROTLSHHCSA-N 417.267 5.901 30 40 HKEB CCn1c2ccccc2c2cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)ccc21 408856424 HBDMUSRWCFHUCI-HMAPJEAMSA-N 415.493 5.845 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OCC#N 408907595 NXAVHPMFIKNSGH-DBSKITMISA-N 421.522 5.000 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909805 FBLWXWZIMOLVHJ-LEFCRYGDSA-N 417.578 6.372 30 40 HKEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(OCC)c(OCC)c2)C2=C1CCCC2=O 408927769 XUIQBMAEIMTSMW-UHFFFAOYSA-N 423.553 5.307 30 40 HKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c1C 409070953 MMGOQLAILVGDEN-WJEPFGLZSA-N 416.550 5.324 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 409214677 ZRLUMKGYVVBLTB-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 888422 CWUUHDHIUHECOO-UHFFFAOYSA-N 403.532 5.492 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 2055183 PQJYIXZOKKKYIZ-QHCPKHFHSA-N 409.570 5.586 30 40 HKEB N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCC2 2740100 JFUHJWXFZQUAKX-NRFANRHFSA-N 404.560 5.971 30 40 HKEB C=C1N(C)c2ccc([C@@H]3C=Cc4ccccc4N3C(=O)c3ccccc3)cc2C1(C)C 3164968 XGRLADKBNBGNRY-VWLOTQADSA-N 406.529 6.343 30 40 HKEB O=C1[C@@H](C[C@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 4027769 SRXHLHLYMDYESA-WHBJXLRSSA-N 400.559 5.059 30 40 HKEB biogenic O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)c1c(ccc3ncccc13)N2 4707992 OSEIPJHYXMPYFK-FNZWTVRRSA-N 402.497 6.193 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(Cl)c1 5500090 RYIZGIDPLINRPP-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1 8743529 PJTGDTQTLNEZBM-QFIPXVFZSA-N 416.477 5.198 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccccc1Cl 8821139 XLEJAWPKIUYBDG-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccs1 12564698 METKKAYNPYLKFX-CCEZHUSRSA-N 406.510 6.650 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCc4ccccc43)c2C#N)C1 14217245 UDPWELIBHJHCSN-KRWDZBQOSA-N 407.583 5.162 30 40 HKEB O=C(Nc1ccccc1/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 18227620 GCMDNTZPKZULMN-DHRITJCHSA-N 413.355 5.617 30 40 HKEB O=C1/C(=C/c2cccc(F)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(F)c1 22096247 SJDWRYZWCMBXBE-FWSOMWAYSA-N 401.456 5.517 30 40 HKEB COc1ccc2c(c1)CCc1sc(/N=C/c3c(OC)ccc4ccccc34)nc1-2 59459312 WVPMWLANUHCQNY-AFUMVMLFSA-N 400.503 5.830 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(C)c(C)c3)c(C)c2s1 72228798 IYASYPWWTYCNGC-QQXSKIMKSA-N 424.570 5.745 30 40 HKEB CN(C)/C=C/C(=C\C(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 100255893 PFIUSUSKFZQGEE-GJIPYRLRSA-N 420.275 5.227 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102609693 ZNZFEERSWHYFFS-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/c1cccc(Br)c1 103678465 QSZZXAYJTHHTGH-CZIZESTLSA-N 416.300 5.306 30 40 HKEB CCCCCCCCCCOc1ccc(/C=N\C/C=C\c2ccc(CC)cc2)cc1 104149491 IZCWHUDBOZKIHM-FGSLFIORSA-N 405.626 7.901 30 40 HKEB CCCC/C=N\NC(=S)NCCCCCCCCCCCCCCCCCC 104378973 BWLCYGWUDAZFJI-RWEWTDSWSA-N 411.744 7.888 30 40 HKEB C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118920806 GRBHNQFQFHLCHO-LBOOYMTFSA-N 424.713 8.233 30 40 HKEB C=CCOc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225868404 ITESLAPWJFBRNA-UHFFFAOYSA-N 415.002 6.137 30 40 HKEB C=CCOc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 408568259 SSCQCUGGGFWCEP-UHFFFAOYSA-N 409.938 6.449 30 40 HKEB Clc1ccc(Sc2oc(/C=N\OCc3ccccc3)cc2Br)cc1 408815840 SMCVICLSMBEWFT-NHDPSOOVSA-N 422.731 6.397 30 40 HKEB COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408850052 DUJWPIDIRJOPGJ-NHDPSOOVSA-N 422.731 6.606 30 40 HKEB CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 409109932 OCMMHUDLVBGRPD-IWIPYMOSSA-N 420.490 5.982 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 409212284 PKZZGGREHGXYBQ-VULFUBBASA-N 413.876 6.216 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 409212575 QTALELDQTSUKEO-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc(F)cc1)Nc1ccccc1N2 720491 XMWFGVJVFCPUJJ-PUAOIOHZSA-N 418.899 6.459 30 40 HKEB O=[N+]([O-])c1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 1434866 LABMDBKANIVHOJ-LPYMAVHISA-N 411.255 5.687 30 40 HKEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1COc1ccc(C(C)(C)C)cc1 2791391 OSZHSQCBXJKQQU-YDZHTSKRSA-N 410.543 5.016 30 40 HKEB Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1Cl 2791528 RZLLXKGBTWQHOU-AWEZNQCLSA-N 418.994 5.266 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 3113777 QTKSGBSTEIZVAS-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc3ccoc3cc2OC)c(OCc2ccccc2)c1 4024701 IFMHHDXNTHAISK-DHZHZOJOSA-N 414.457 5.925 30 40 HKEB biogenic C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 4044003 GTTCYPNRLFPECI-CWMWJYQDSA-N 415.618 6.006 30 40 HKEB biogenic CCOc1cc(C)c(/C=C2\S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C 4649382 ONXUNTPPNHVPDZ-JWLCOBFGSA-N 422.594 6.368 30 40 HKEB Cc1ccc(NC(=O)CCCC(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1C 6488136 WUPLQMZSMTWYDP-SFHVURJKSA-N 403.309 5.596 30 40 HKEB COc1cc(/C=C\C=C2/CC/C(=C/C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 8665520 GYYPECSETJYYJN-UJWZYFSDSA-N 404.462 5.057 30 40 HKEB C=CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2c(s1)CCCC2 12678305 XKHMWEANHJKOEB-UHFFFAOYSA-N 423.563 5.169 30 40 HKEB COc1cc(/C=N\Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 31783654 SSKFOHRKHNNUSS-YVNNLAQVSA-N 422.293 5.124 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 59500704 ZZBZRTPYKCWVKW-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764521 QUZCBTPKSYXERV-UHFFFAOYSA-N 410.945 6.231 30 40 HKEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408801240 SRJDGCKLNFNNES-QFEZKATASA-N 408.885 5.425 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408855740 CVYMTQJQAYMLGD-RXQVSFMMSA-N 410.970 6.523 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1O 408938852 RTJWYPYYAGIYFR-CTAYAHSISA-N 424.544 6.676 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1 409111200 BLTMXUNGZIHBJP-UHFFFAOYSA-N 401.550 6.567 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Br)c1 409210833 LDGKVJCXJAWUNL-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409213981 VTBLOELTDAUCJZ-VULFUBBASA-N 422.912 5.734 30 40 HKEB N#Cc1ccnc(Nc2nc(C3CCN(Cc4cc5ccccc5[nH]4)CC3)cs2)c1 585295121 MMDJUJJSWFFPFO-UHFFFAOYSA-N 414.538 5.014 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C#N)C1 649870 RSGWPMGXHPCXAA-QWRGUYRKSA-N 409.338 5.457 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1ccccc1 1079924 BIFUIQKUXAVZIL-INIZCTEOSA-N 413.439 5.869 30 40 HKEB COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(OC)c1 3117872 LTOINMWKMOWXMD-OGLMXYFKSA-N 408.457 6.253 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc12 3346008 ZTYYMDJINAZLGV-UHFFFAOYSA-N 412.470 5.230 30 40 HKEB O=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 4523854 JEIJASCQJQMZKP-DBSKITMISA-N 404.922 6.144 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CC[C@@H](C)C2 4545649 XQFGZNMCABGIIH-KSXCTLEASA-N 419.550 5.670 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4737885 HKMCIVJXNHIZJI-LIMNOBDPSA-N 407.326 5.332 30 40 HKEB CCCCOc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 5298412 FEYDJLYIRWSIGJ-ZXVVBBHZSA-N 423.520 5.831 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)c3ccccc3)n2)cc1 8809479 YZKTYAVLTJPWBZ-UHFFFAOYSA-N 420.537 6.571 30 40 HKEB O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl 12959081 PVZXZWOVCNXXJV-AJMWVYNUSA-N 417.805 5.027 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1Cl 13218490 OYNWYKQNILTAEM-LJQANCHMSA-N 424.327 5.931 30 40 HKEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 13831727 AARSWYLUVPNJAG-IAGOWNOFSA-N 421.928 5.928 30 40 HKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1 16730658 GJSBPBDYXQBDKT-UHFFFAOYSA-N 418.871 6.893 30 40 HKEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1 33921940 LMJBAFBJSQSOCM-VDSIAQTOSA-N 415.518 5.009 30 40 HKEB C=CCc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1O 59302624 VLQBFOHADRSWHL-RDRPBHBLSA-N 415.577 6.738 30 40 HKEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(-c2cccc(Cl)c2)o1)CCCC3 408719560 VWHPIGWXFIBMLB-WYMPLXKRSA-N 423.925 5.441 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 408864329 YPNSGZMKGQYVSO-NVNXTCNLSA-N 407.720 5.303 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409210545 KVISVACJQSHVSR-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB FC(F)(F)CNc1ccccc1OCCCC(F)(F)C(F)(F)Br 1083811736 KAFNZHXCESXPDK-UHFFFAOYSA-N 412.143 5.443 30 40 HKEB CCCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 4063820 PSRPUAWXJUWDPJ-DEOSSOPVSA-N 423.553 5.319 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)c2ccc(F)cc2)n1 9422714 QWPGZVQTGHMDGM-UHFFFAOYSA-N 424.463 6.164 30 40 HKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Br)o1 12278547 AISUTIQIZDRZBK-UXBLZVDNSA-N 418.099 5.241 30 40 HKEB O=C(Nc1sc(N/N=C/c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 16751647 YEWTZGZILYQZMZ-MFKUBSTISA-N 416.481 5.648 30 40 HKEB Fc1cccc(Cl)c1COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1 33676374 SMCHBASCVAMYGX-CFRMEGHHSA-N 413.905 5.379 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1C#N 59433720 RPIHEKVTIXVFBG-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c(C)c2s1 72228704 ABVQYWLTIVLEJI-UHFFFAOYSA-N 410.543 5.760 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O 100559669 FGJOQQQRZNFKBP-JOCHJYFZSA-N 421.626 5.783 30 40 HKEB C=CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 226360141 PKPNJBPHELWTPO-UHFFFAOYSA-N 402.675 5.661 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1CC 408561047 WTJAEFWHGSMARO-UHFFFAOYSA-N 408.999 5.504 30 40 HKEB Brc1ccccc1/N=C\c1cc(Br)c(Br)o1 408850280 KBIORUPABKWQBE-UUASQNMZSA-N 407.887 5.318 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc21 408910306 GUGYIMIRPVKWAW-HUOZHCEOSA-N 415.562 6.148 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408937666 JIBQOJPJQVOUNL-SACFXMDXSA-N 418.540 6.584 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 409083591 SZBNFKGZUPYWSP-NKZWWHGNSA-N 422.981 7.435 30 40 HKEB COc1ccc2ccc(OC)c(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 409097059 LLIHGUVUECSBDU-BHGWPJFGSA-N 419.359 5.230 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OCC 409344479 JKSFEMZCEZXYNR-RGEXLXHISA-N 403.569 5.184 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 1434722 XRQFXOGDPUKNJS-AFMDSPMNSA-N 414.936 6.628 30 40 HKEB C/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1sc(-c2ccccc2)nc1C 4050433 ZNIMWZDONKLAFZ-FSJBWODESA-N 405.306 6.006 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@@H]2C[C@@H]2c2ccc(OC)cc2)cc1 5527104 JCTNEVXAUVWPEL-HPLNABNRSA-N 401.462 5.069 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 7495952 HMECAYOOCWAWFP-NPMXOYFQSA-N 415.880 5.698 30 40 HKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 9264200 PHEFPBRXSXCALU-XMMPIXPASA-N 414.461 5.109 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 18324619 FDSKRIDRRFPXBU-VWLOTQADSA-N 416.565 6.147 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 20058035 BZSADSRKPIFMKK-FBCYGCLPSA-N 409.254 5.177 30 40 HKEB O=C(/C=C(\C=C(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 104066205 YMWPFYLPHXCDDY-HPNDGRJYSA-N 401.509 6.997 30 40 HKEB C[C@@H]1C/C(=C/c2ccc(OC(F)F)cc2)C(=O)/C(=C/c2ccc(OC(F)F)cc2)C1 245237042 DBLHUZVQJNKWLR-BXYYLCOUSA-N 420.402 6.355 30 40 HKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408846381 KCOUMEWFVQPLRJ-WGARJPEWSA-N 418.493 5.539 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408934634 BLUGSHLHQDKZBJ-ANMKHLNKSA-N 404.513 6.276 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1Cl 409212283 OOIHXSDIKWVFPZ-VULFUBBASA-N 406.913 6.033 30 40 HKEB CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br 409218915 YHHLKAJHHVJBDY-VXLYETTFSA-N 413.109 5.370 30 40 HKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1[C@H]1CC=CCC1)CCC2 859220 DVKJGVXAUTXLCI-INIZCTEOSA-N 408.954 5.894 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2361593 NPFPGJSGZBICOF-UHFFFAOYSA-N 402.498 5.283 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CCC2 4711440 IXWMZPJZHUCBRM-MFKUBSTISA-N 419.550 5.314 30 40 HKEB CCCCCC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 6471796 JKRCRJXSKVOZJO-MRXNPFEDSA-N 422.809 5.303 30 40 HKEB C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6562602 FOHTVDBEKDSEQP-UHFFFAOYSA-N 400.438 5.356 30 40 HKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C(\C)c1ccc(Br)cc1 8397752 PZWWIZNKMVLUHL-CVKSISIWSA-N 421.342 5.779 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)nc1 8995767 YYCITGJQKKGNSH-MZJWZYIUSA-N 421.460 5.592 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c1OC 12663017 INGLBHYVRDZTPL-CFRMEGHHSA-N 416.473 5.516 30 40 HKEB biogenic COc1ccccc1/C=C(/C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 12985741 LSVWGMAZLQURIM-PXLXIMEGSA-N 408.457 5.104 30 40 HKEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082757 YNFFSPQIFAEHFL-KRWDZBQOSA-N 423.465 5.291 30 40 HKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59679590 CCKNGCAQQCGPCB-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB CCCOc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 72228687 DAHBXARAUNBSHD-UHFFFAOYSA-N 410.543 5.762 30 40 HKEB CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409805 GPHILZMMUVVYSM-KRWDZBQOSA-N 410.520 5.111 30 40 HKEB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c(Cl)c1 408623392 TUPJPNRGTYEWTD-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408946596 YYBKLYNWXRTGMO-SKVPBMTMSA-N 414.936 6.926 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408965488 HRPBSVFGTJNPSE-JVWAILMASA-N 402.538 6.237 30 40 HKEB CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 408965661 LGJPMFVRTYEONI-LICLKQGHSA-N 416.333 5.860 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)C 409088817 HFXSNTNTBKKACF-UBXTYJAUSA-N 424.610 6.707 30 40 HKEB COc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 409232814 SDKACRIAGFONPU-CAOOACKPSA-N 423.321 5.211 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1c2ccccc2cc2ccccc12 2028396 QVKIYPSAGUFRAQ-HMAPJEAMSA-N 414.917 6.538 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 2272397 FNYZLTVZJVIBKC-QGZVFWFLSA-N 424.635 5.935 30 40 HKEB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N/N=C/C=C/c3ccccc3)nc2n1 4052702 JWUVYKHWSZQPBU-CVMCHQOBSA-N 410.321 5.779 30 40 HKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)c1 4075144 XDBUICCCAGCPKT-VOIUYBSRSA-N 402.519 5.736 30 40 HKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 4849177 PIRNIUQLCYMCQJ-UHFFFAOYSA-N 415.440 5.473 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 4951170 AULZQBPFVUPVSP-INIZCTEOSA-N 424.635 6.266 30 40 HKEB Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] 5747195 UUNPGPGUHZAPSY-JVWAILMASA-N 407.429 6.453 30 40 HKEB COc1ccc(/N=c2\scc(-c3cc(OC)ccc3OC)n2N=C2CCCC2)cc1 5865153 CVMGPKDBWZBSJO-VHXPQNKSSA-N 423.538 5.253 30 40 HKEB Cc1cccc([C@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 5901031 UPCCRSRCZLSWML-OAQYLSRUSA-N 416.550 5.360 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc2c1 6555322 XLCYDEVTCOAUMV-CAUYNWHBSA-N 415.449 6.373 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cc(Cl)cc(Cl)c1 8733533 YAXDDMXHDPHKKS-UHFFFAOYSA-N 410.087 7.026 30 40 HKEB N#Cc1c(-c2ccccc2)c[nH]c1Sc1ccccc1C(=O)NCc1ccccc1 13013707 BMYNXTRQHUZXLI-UHFFFAOYSA-N 409.514 5.635 30 40 HKEB Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](c2ccc(F)cc2)C1(C#N)C#N 16034248 OQDJRLNLVPDQLH-RJGXRXQPSA-N 413.496 5.151 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccsc2)cc1OC 20737339 OKBHKNZQMBASTC-VFNWGFHPSA-N 422.506 5.020 30 40 HKEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1C 32984320 LDGYHJVRFKPWEU-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB S=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)Nc1ccccc1 59381850 YUFMXUJGJGVJCK-YZSQISJMSA-N 411.530 5.739 30 40 HKEB C/C(=N\Nc1ccc(Cl)nn1)c1ccc(-c2ccccc2Br)s1 96291426 YPUWJOGGUSZMTG-VXLYETTFSA-N 407.724 5.457 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)NCCCCc2ccccc2)cc1 98001476 IQEXHOXXVJYQGM-UHFFFAOYSA-N 424.629 7.351 30 40 HKEB O=C(/C=C/Nc1ccc(C(F)(F)F)cc1)c1ccc(-n2cnc3ccccc32)cc1 100406418 HDDQGOIJNHEHEE-BUHFOSPRSA-N 407.395 5.853 30 40 HKEB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1 408908828 DIWLDSYPIOELCK-YUMHPJSZSA-N 422.444 5.645 30 40 HKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1 409118527 NXWJLMWLDNKEIC-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1F 409118643 PHEWAJZGPAQWSP-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409200788 JNBXVNKCGHPHDC-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 409211763 MYCCAPQDHUBZHZ-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O 2130061 IJGRCEMTUSSQDP-LQFJMUIISA-N 416.454 5.291 30 40 HKEB biogenic CCc1c(C)sc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1C#N 2739045 MDKQKWQKRFVRFS-UHFFFAOYSA-N 420.321 6.013 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 2742380 DFMSRHMLWPXEPW-HNNXBMFYSA-N 411.527 5.250 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 3087615 JJVYCDGYBJOCCE-FSJBWODESA-N 407.267 6.022 30 40 HKEB O=C1c2ccccc2[C@H]2SC/C(=N/OCc3ccccc3)c3ccsc3CN12 4108874 ACWRPNRPQOFYQL-SXKPWUIASA-N 406.532 5.070 30 40 HKEB N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1ccc(Cl)cc1 4473103 YQWPVDXQJJHKKG-QPLCGJKRSA-N 408.252 5.572 30 40 HKEB C=CCn1c[n+](CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 4797404 PAVHMTOJGSRBMH-UHFFFAOYSA-O 405.562 5.298 30 40 HKEB CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@H](C[C@@H](C)SCC)C1 5026709 BQKRKHUYPYBPNE-FTRJLHQBSA-N 410.668 6.114 30 40 HKEB CCc1ccc2[nH]c3nc(N/N=C/[C@H]4CC=C(CCC=C(C)C)C[C@H]4C)nnc3c2c1 5471578 GVWCFPPDEZEYPF-MFWRVWTKSA-N 416.573 6.185 30 40 HKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)cc1C 5546567 SXQFMWDHJJRGGB-CLCCEFQUSA-N 415.536 7.642 30 40 HKEB COc1ccc(OC)c(/C=C/C2=C(C)C(=O)C[C@@H](c3cc(OC)ccc3OC)[C@H]2C)c1 6441816 XFKMHVHJTMTWOA-LQECCCDPSA-N 422.521 5.443 30 40 HKEB O=c1[nH]c2ccc(/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2[nH]1 6505932 RYIJITUOZXTSRK-BHGWPJFGSA-N 412.276 5.493 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 6962509 KHHHSICEXLOFDD-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB C=C(C)C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1N=C1CCCCCC1 15981002 HVSDQGJLBIITHZ-RQZHXJHFSA-N 415.606 6.919 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@@]21C 36371216 HEWXCDIWMWJHEW-YWUZJCJPSA-N 424.717 8.531 30 40 HKEB CCCCCCCCCCCCCCCCCCCOc1ccc(N)cc1Cl 104891595 RMEKNOREIKZTQA-UHFFFAOYSA-N 410.086 8.953 30 40 HKEB Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NO)c3C)sc3c2CCCC3)cc1 251250374 ASCPBUASEISVCY-UHFFFAOYSA-N 407.539 5.403 30 40 HKEB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(I)cc2C)C1 408563143 IXZPXNIWSHVOFZ-OKFGHLOFSA-N 411.327 5.701 30 40 HKEB CCCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 408736867 ACEBCFAVSCFOGD-QUPMIFSKSA-N 423.560 7.249 30 40 HKEB Cc1c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc2n1C 408809102 HWTLWXUJJYGBBB-NDEPHWFRSA-N 420.556 6.949 30 40 HKEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2sc(C)c(C)c2C#N)c1C 408903197 VMHSATBXWUSULC-CIAFOILYSA-N 414.534 5.450 30 40 HKEB C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408915151 PFUQIUQFMUIARJ-ONUIUJJFSA-N 414.530 5.642 30 40 HKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Cl)cc1Cl 408915547 XOKRWQFCPJTEKR-ODCIPOBUSA-N 405.193 5.641 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 408937780 OTLVXDXFNIVNHY-LOSRTSJTSA-N 408.501 6.301 30 40 HKEB CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br 409217263 OJKSLRLOGHGZJY-RGVLZGJSSA-N 411.137 5.923 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 2356534 WFGKCOQIHVVGHA-LFUMJXIHSA-N 421.953 5.737 30 40 HKEB N#Cc1c(SCc2ccccc2)nc(-c2cccc(C(F)(F)F)c2)c2c1CCC2 4052525 CMLVJGKAMRULDD-UHFFFAOYSA-N 410.464 6.420 30 40 HKEB CCCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 4285266 HNBAYFOIEDNXDP-XMMPIXPASA-N 423.553 5.319 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OCc1ccccc1 5165853 JDMSQWYAERCCMU-PXLXIMEGSA-N 416.502 5.166 30 40 HKEB CC/N=C1\S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1CC 5552127 HSUVLDIIAJFUFP-QFGKFHJGSA-N 400.931 5.231 30 40 HKEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6419552 ZILIEEYVRKEESY-JOCHJYFZSA-N 415.489 5.356 30 40 HKEB CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@@H]3C[C@H](C)C(=O)C[C@]3(C)CC[C@@]12C 8652686 WSTYNZDAOAEEKG-CGCOVUCDSA-N 420.593 6.422 30 40 HKEB CC(C)(C)/N=C1\O[C@](c2ccccc2)(C(F)(F)F)N=C(S)N1c1ccccc1 8657693 TWXHYYIZSLTJDK-VKINRBECSA-N 407.461 5.379 30 40 HKEB O=C(N[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 17886258 RYDILFMFMIUVNX-GEMZPYNLSA-N 404.513 6.018 30 40 HKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 34112435 PROGDNSPTJYDEC-IBOJMUIXSA-N 424.487 6.112 30 40 HKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954522 QIEJISVFGQZZRG-LJQANCHMSA-N 405.542 5.536 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2ccccc12 226362394 DAOPGZOZOAYCQL-JXMROGBWSA-N 417.808 5.688 30 40 HKEB CCCCCOc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 226756940 DTXKJWFHZLZTOG-LCUIJRPUSA-N 405.542 5.166 30 40 HKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(O)=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 263600699 KHKDIUPVDIEHAH-PHAGSCHQSA-N 414.586 5.896 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1cc(C)ccc1C 408905784 DVLDJPZTRXYHLF-FTIPTLOASA-N 415.356 5.690 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 408914853 ZFIPWBWLFYXANF-YUMHPJSZSA-N 420.472 6.197 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408942359 QMCRBOUAITYHKE-CRRIZSMVSA-N 422.572 7.361 30 40 HKEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 409187588 SFKPIDHRKLNPMD-UFFVCSGVSA-N 410.695 5.184 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 409209240 IDIXNSMYKHXYOT-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)c1 409209544 GIPSWBRKDHPWIP-VULFUBBASA-N 406.913 6.033 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C 409211655 NNDBBEUVMBBLTM-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409216762 LHKLVILQLZDJCD-VULFUBBASA-N 422.912 5.734 30 40 HKEB Cc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc(N2CCCC2)c1C 409408524 YECFSMRJWJEPQQ-UHFFFAOYSA-N 422.532 5.163 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1O 1023447 QOCQLWJHTLTABP-LBMUFILHSA-N 416.502 5.205 30 40 HKEB O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 2478010 BTFXHTMZCYIQQA-MFKUBSTISA-N 420.465 5.236 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2cccc(C(F)(F)F)c2)c1=O 3128255 QAECXKHEYWIMSN-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc2ccccc2c1 4818423 NFHCERYAURAKSQ-QHCPKHFHSA-N 405.497 5.777 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(O)cc4)NC3=O)cc2)cc1 5376557 SDDQXHIZCAZEBR-HMAPJEAMSA-N 416.502 5.171 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 5901761 AUHCHMFEQRCVPB-LLVKDONJSA-N 407.366 6.330 30 40 HKEB Cc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)nc2O)cc1 12947633 YUQKOOQGIZNXNL-UHFFFAOYSA-N 410.502 5.384 30 40 HKEB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66088923 MBTWIGKVQFWBRB-LJQANCHMSA-N 401.934 5.286 30 40 HKEB CCCCCCCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 97998507 HQJNPCPWNQIBPD-UHFFFAOYSA-N 420.513 5.325 30 40 HKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/C1C(=O)CC(C)(C)CC1=O 100852051 OYCDJDJTZOJBEU-WYMPLXKRSA-N 411.523 5.177 30 40 HKEB CCCCCCCCCCCCCC(=O)N1CCC(c2nc3ccccc3o2)CC1 101424639 JNJYQCGJCXITGZ-UHFFFAOYSA-N 412.618 7.235 30 40 HKEB CCCCCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 102568217 MQEWVDWKOMLACI-UHFFFAOYSA-N 408.355 6.227 30 40 HKEB C/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1cc(C)ccc1C 102960262 XQROLLPMFWAQNX-GBMPFIQJSA-N 400.345 5.009 30 40 HKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1 224737626 DCFHXYKRTUHCOS-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 408870105 RVBJBOOEMHBWLP-UUASQNMZSA-N 413.713 5.547 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)cc2O)S/C1=N\c1ccccc1 408909420 HLLUNUUXYGLNAM-ILIUFOMISA-N 416.502 5.463 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cccc1OC 408911384 JCTLDSWIPCYYQK-RAFWRMIMSA-N 422.550 5.582 30 40 HKEB CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 408986679 CVUQMSASZANZLQ-CUHSDLGESA-N 414.530 6.284 30 40 HKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 409156115 RSPPGJIECLPUNM-VCBZYWHSSA-N 404.819 6.088 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 409210445 IRGQASPPTPODLM-RWPZCVJISA-N 403.884 7.270 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 409210961 MEHRXCVXTHGXSM-VULFUBBASA-N 414.332 7.030 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409213710 VKYPLQCDHUSXCN-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889179233 NJWYLVQOSGELIN-QYOVDKHOSA-N 420.637 6.776 30 40 HKEB N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1SCc1ccccc1 3616792 KLTMEDSNKSOIBP-UHFFFAOYSA-N 409.510 7.435 30 40 HKEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 6262678 MXPBAFYTEHYIBA-BKUYFWCQSA-N 408.494 5.321 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1F 6500631 WZFLELFHHFQNCK-SFHVURJKSA-N 413.279 6.349 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3ccccc3C(F)(F)F)N=C2O)c1OC 6848501 RQUNSCADUQMZAM-GDNBJRDFSA-N 408.401 5.455 30 40 HKEB O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1C1CCCCC1 6927239 FQSYFLALSBWNRK-NVTWWLNUSA-N 412.942 5.982 30 40 HKEB COc1cc2c(cc1N/C(S)=N/c1cccc(C(F)(F)F)c1)oc1ccccc12 8681162 JLTIGXCDZJXQTH-UHFFFAOYSA-N 416.424 6.643 30 40 HKEB O=C1/C(=N\Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc2N1c1ccccc1 8762222 RTKSTDFHIIUDFR-MOHJPFBDSA-N 416.695 6.141 30 40 HKEB Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N 9530517 OCVMZHGQDGEVMD-UHFFFAOYSA-N 402.406 5.306 30 40 HKEB CC(/C=C/[C@@]1(C)[C@@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 13373376 ZLAQYJKDQSZARB-FGSUCJDLSA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro Cc1ccc(/N=C2\S/C(=C\c3ccc(Br)cc3)C(=O)N2C)cc1C 13546951 IFHMQQVQHQUZLT-WQZDFCHPSA-N 401.329 5.300 30 40 HKEB CN(/N=C(C(=N/N(C)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1 16188758 KGYUYHVERATBFZ-ZUELCTOOSA-N 418.544 6.068 30 40 HKEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366061 PFAOMULZVZAFSP-BDTNDASRSA-N 415.924 5.482 30 40 HKEB C[C@H](Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O 59679580 NEMVPHZNHASQDE-FVQJWRHTSA-N 422.462 5.349 30 40 HKEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)n1 84076947 RHAYABQPNSJZRW-JTQLQIEISA-N 423.489 5.338 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 253531417 LGWMHNQKTCVZTP-PRLLZILLSA-N 421.537 5.481 30 40 HKEB CCN1c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@H](C)CC1(C)C 260569621 RHBARAQNCHUNLU-YQUMBKGUSA-N 419.594 6.033 30 40 HKEB CCOc1cc([C@@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408731874 QHTRAZTUUPWSQF-QHCPKHFHSA-N 424.566 5.233 30 40 HKEB Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccccc1 408777105 VGAMOSIQPKMGSD-BKUYFWCQSA-N 400.263 5.449 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cc(C(=O)O)ccc2Cl)c1C 408913509 LLSRITANBOOHBB-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409087281 YECSWRUPLHMXTB-SQAVSUBZSA-N 412.555 5.547 30 40 HKEB C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC 409090808 QISBUBRLWJNMAG-QJOMJCCJSA-N 424.500 5.267 30 40 HKEB O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccc(Cl)cc2)c1O 2086786 JAMPDRYNTOTBBC-CVKSISIWSA-N 400.865 6.202 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(C)c1 2453654 FXSDCGINFVPSNN-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2ccc3c4c(cccc24)CC3)c(O)c1Br 3114311 QYOBNKKOIUCQGD-YSURURNPSA-N 414.730 6.427 30 40 HKEB CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)c2ccccc12 4261889 ARNURRQQSTYLEY-UHFFFAOYSA-O 422.596 5.979 30 40 HKEB in-vitro COc1cc2c(cc1C)/C(=N\OC(=O)c1ccc(Oc3ccccc3)cc1)CCC2 4412320 NWMXBSVBBMSAFC-RWEWTDSWSA-N 401.462 5.693 30 40 HKEB COc1ccc(-c2nc3c4ccccc4ccn3c2/C=C/C(=O)c2cccs2)cc1 5112213 ZUFVYMDKUKYJRA-OUKQBFOZSA-N 410.498 6.121 30 40 HKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])cc1 6170515 QYWKMLPGWAFXPN-WUXMJOGZSA-N 415.401 6.038 30 40 HKEB C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccoc1C 7087176 GNODLECVWBLWEY-UHFFFAOYSA-N 413.890 5.028 30 40 HKEB CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8861735 AUFOMNRMOHZCBZ-LSFURLLWSA-N 416.761 5.044 30 40 HKEB CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O)c1ccccc1 9209929 AUMSBCAQVNPNQV-CBIIRDDDSA-N 420.486 5.356 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 9332608 BIEQCWPWIXUXRE-NRFANRHFSA-N 424.569 7.023 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Cl)cc1Cl 15305140 HJCVQVURXYPUIR-QFIPXVFZSA-N 423.343 6.742 30 40 HKEB CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)[C@H](C(=O)O)C1 17088050 ZZRSVDNKCRYOFK-QZTJIDSGSA-N 408.523 5.289 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 18197690 UGEWGTUGGRRKJJ-HXUWFJFHSA-N 414.299 5.031 30 40 HKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccc(Cl)cc1 19900771 CDDSUDUCNKZBAB-UHFFFAOYSA-N 419.912 5.322 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1O 59463824 ZRNWCYHSMONCNK-MFKUBSTISA-N 400.503 6.250 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3O)nc2c1 100929932 XACKNEHPNGSHBS-OPEKNORGSA-N 420.852 5.896 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225075135 YFBCYPKXFCZDHX-UHFFFAOYSA-N 424.478 5.077 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cccc1C 408560826 PKDBTXUMTASJQY-UHFFFAOYSA-N 400.592 5.325 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC 408611602 UHOYUJSCCHTCLF-UHFFFAOYSA-N 417.130 5.941 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 408782688 IRUNLBANLBIAKL-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccc3ccccc3c2)nc1 409068585 TYPFHWCXCZWEQD-IPPBACCNSA-N 421.422 6.279 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2C#N)C1 409080493 DUQSGYFEBAQQKR-YCYNJWQJSA-N 411.483 5.158 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)c1 409208034 AIVVSPJHDVYMBV-VULFUBBASA-N 406.913 6.033 30 40 HKEB C=CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409214362 XCQQIFHTUFJGDV-LFVJCYFKSA-N 408.295 6.557 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c[nH]c2ccccc12 409310387 ULWQBZAYZJPPOK-CYBMUJFWSA-N 423.314 5.036 30 40 HKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccncc3)CC(=O)O4)C2=O)cc1 1081803287 TWUDUGCYMFSPLM-CCULFSDZSA-N 411.457 5.262 30 40 HKEB N#C[C@@H](C(=O)O)[C@@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1632945 APSSOUIYMBILKM-VPUSJEBWSA-N 401.465 6.502 30 40 HKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 1951450 PLCYQUBZGFPZQY-BLZGDTNESA-N 419.440 6.972 30 40 HKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 2368626 AEAMZGLQLNYHSX-UHFFFAOYSA-N 424.635 6.113 30 40 HKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 3098471 PLTHYTOAYKNJQL-HXUWFJFHSA-N 420.336 5.447 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 6300669 UYZXFAHVSACWIZ-XMMPIXPASA-N 411.501 5.124 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 16214678 FWHFTNQTMQZSCJ-XKZIYDEJSA-N 419.458 5.512 30 40 HKEB CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O 100080317 SAEZGDDJKSBNPT-NRFANRHFSA-N 420.682 6.324 30 40 HKEB COc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 100298987 MQUGRVACVCOHNY-AFUMVMLFSA-N 400.434 5.458 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 113836480 MDSCFZRGDZEKIQ-WOJGMQOQSA-N 424.865 5.190 30 40 HKEB CCCCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 257351693 GPXWKSACSYMTQN-AFARHQOCSA-N 403.566 7.412 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/C=C/c3ccco3)S2)cc(C)c1Br 408764459 ITBKEBHMGAVBAU-MOOXIKRDSA-N 403.301 5.107 30 40 HKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 408771640 HVQOQCKAODJXSF-FOKLQQMPSA-N 405.698 6.400 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O 408872311 CUXUXGGKDUWPPA-OKFLVUJMSA-N 422.550 5.584 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408935448 DWAPEQSTZZRZMW-RMORIDSASA-N 403.265 5.555 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)Nc2ccccc2)C1 409081370 KNHMSJFCMNRAFO-GEGDGZKASA-N 417.578 6.297 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1F 409110117 ROMBLSOJBGJJGK-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC 409214395 XFWHTTLUSBBTOR-CIAFOILYSA-N 423.294 5.456 30 40 HKEB C/C(O)=N/c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 2250226 SPBWLYZWZBBJBX-KRWDZBQOSA-N 400.269 5.249 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1 3088363 DXPPODJMXZUBQP-FCMREFMGSA-N 420.306 6.127 30 40 HKEB N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1ccccc1)CCCC2 3088890 WOPBXZQXELXZNY-UHFFFAOYSA-N 408.929 6.584 30 40 HKEB COc1ccc(/C=C\C(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC 5329722 BPZHVAGUXRPNKX-XFXZXTDPSA-N 404.462 5.188 30 40 HKEB N#Cc1ccccc1COc1ccccc1/C=N/NCc1c(Cl)cccc1Cl 9196771 WTEOOZIMIQXRIT-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 9484291 MHAAGPXGDFZURR-MZNJEOGPSA-N 424.460 5.079 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 12650719 SKTNRORUOKHXMG-LSHDLFTRSA-N 420.303 5.228 30 40 HKEB Cc1cc(/N=C/c2cc(Br)cc(C)c2O)ccc1NC(=O)c1ccccc1 16282665 WBIARGGMXNTYPT-ZMOGYAJESA-N 423.310 5.774 30 40 HKEB C/C(=N/NC(C)(C)C)c1sc(-c2nc(C)c(/C(C)=N\NC(C)(C)C)s2)nc1C 17211814 MFAQJIFLGBBOEF-GACBQCINSA-N 420.652 5.108 30 40 HKEB N=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[C@@H]1c1nccs1 33795185 DOGLRTJDNHGRPZ-ZJVAWHCLSA-N 421.330 6.128 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(CCCC)cc2)C1=O 35039149 MEBVYJKFIPZFQL-LTGZKZEYSA-N 409.576 6.000 30 40 HKEB COc1ccccc1C(=O)/C=C1/C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 210868717 XBBNZGWNCBWFDK-NZIPGPCDSA-N 423.556 5.731 30 40 HKEB CCOC(=O)c1ccc(NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 250486753 HDMLECWHKBHMHQ-UHFFFAOYSA-N 413.817 5.131 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408937651 HDEHOHPSGKWHCP-BHGWPJFGSA-N 417.292 5.858 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408945188 WDFOHHADARMGPQ-YJVAXANFSA-N 416.524 7.123 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409210398 JKUBUVFPDKESEL-CIAFOILYSA-N 421.278 5.232 30 40 HKEB O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccccc1)c1ccc(Cl)cc1 409213244 RWNZVDLDBZMHFS-LPYMAVHISA-N 406.290 5.512 30 40 HKEB CCCCCCCCCCOC(=O)Nc1ccc(I)cc1 3090178 DCBWSJXAVJAVSE-UHFFFAOYSA-N 403.304 5.980 30 40 HKEB N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 4002811 HGIPDXVPKVVTFE-ZRDIBKRKSA-N 404.300 6.433 30 40 HKEB Cc1cc2c(cc1C)N[C@H](c1c(O)ccc3ccccc13)C1=C(CC(C)(C)CC1=O)N2 4052430 JZIOHWARPXGHTM-AREMUKBSSA-N 412.533 6.384 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 4116313 JFDHLSJSCLORCK-CHVDNLQBSA-N 412.489 5.071 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 5092520 LJGVTRXEFQGBTI-DJJQPEHWSA-N 413.974 5.673 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 5376608 UMPZFEPZKWPFNG-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(N=C2CCCCC2)cc1 6228329 IFTUSBFOMFQKJB-UHFFFAOYSA-N 418.562 6.119 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1Sc1ccc(Cl)cc1 8417827 ISEZDGRLXZYELG-XSFVSMFZSA-N 422.962 6.383 30 40 HKEB Clc1cccc(N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1 12578659 FDKHSCSSOSOIKZ-VUTHCHCSSA-N 421.931 7.397 30 40 HKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1 16730655 FAHOPYHUUMHVDI-UHFFFAOYSA-N 418.871 6.893 30 40 HKEB Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1c[nH]c2ccccc12 32941851 CDGVOTQJWIHSOZ-UHFFFAOYSA-N 421.529 5.888 30 40 HKEB Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(C)c1O 34720020 VIXQQXPVXKQZLY-PSYZWBJOSA-N 400.503 5.818 30 40 HKEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCOc1cccc2ccccc12 46085190 JGIJCCNXPHGZCQ-FVDSYPCUSA-N 407.473 5.082 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 57478228 DKKNOHYQCWKPAZ-GOSISDBHSA-N 414.288 5.125 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(N/N=C/c3ccccc3O)nc2-c2ccccc2)cc1 59484250 JJOOUFOHXNIZND-OEAKJJBVSA-N 416.462 5.537 30 40 HKEB CCCCCCCc1ccc(C(=O)Cn2c(NCCCO)nc3ccccc32)cc1 97944154 QXWQFZOLGZTQFP-UHFFFAOYSA-N 407.558 5.226 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)Oc3ccccc3)c(OC)c2)cc1 100847517 APMCFPIOMZIWQG-PCLIKHOPSA-N 419.433 5.200 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C)c(C)c1 101390301 LMJPDWSQIODPHV-PWKIUMOWSA-N 421.566 5.067 30 40 HKEB Cc1cc(/C=N/c2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1 408737930 KQFMFOOPINEVKN-AFUMVMLFSA-N 404.311 6.155 30 40 HKEB CCCc1sc(N/N=C/c2ccc(Br)o2)nc1-c1ccc(C)cc1 408757532 ZHLBSUIQSRMCGR-RGVLZGJSSA-N 404.333 5.873 30 40 HKEB Cc1cc(/C=N\c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1N1CCCC1 408859656 YVHAENDEPJMRKQ-UQQQWYQISA-N 417.534 6.405 30 40 HKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 409086209 GLKURRKQILDJMZ-VHEBQXMUSA-N 421.496 6.963 30 40 HKEB N#Cc1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 1395069 WZKKMMBJIOLMKT-UHFFFAOYSA-N 411.446 5.137 30 40 HKEB CCN(CC)CC#CCC1(CC#CCN(CC)CC)c2ccccc2-c2ccccc21 1818344 UVTZUNBBOGGHFF-UHFFFAOYSA-N 412.621 5.424 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1c(Cl)cccc1Cl 2053042 YLYILLHISBAFNT-XMMPIXPASA-N 422.355 7.456 30 40 HKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c12)CCCC3 2297351 NIHHTSWGVPLLHV-ZVHZXABRSA-N 408.523 5.715 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23 5323430 FGZYZQQJESODNA-DTQAZKPQSA-N 400.437 5.488 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O 8362916 JPAZRIIEMVSMPW-DNLCFCFBSA-N 400.931 5.671 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1Cl 13303887 FJSPAVSJKADOCV-HSHHTGOPSA-N 401.944 5.334 30 40 HKEB N#Cc1c(N)nc(SCc2c(F)cccc2Cl)c(C#N)c1-c1cccs1 19805229 QGMAMHZFUWTQCB-UHFFFAOYSA-N 400.891 5.220 30 40 HKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC 20196341 LABDDUAMDCKXDQ-JFLMPSFJSA-N 424.928 5.368 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1Br 24756968 PELSQSCNSDQBBW-PKNBQFBNSA-N 424.294 5.328 30 40 HKEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1 35396483 KWJRPFUAWQSFJY-UHFFFAOYSA-N 413.521 5.449 30 40 HKEB COc1ccc(/N=C/c2c(O)ccc3c2oc2cc(Cl)c(O)c(Cl)c23)cc1 100368263 UWXKHLVNEQUSFY-NUGSKGIGSA-N 402.233 6.063 30 40 HKEB COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1 102927236 SSXDLXNXEITOER-OAQYLSRUSA-N 415.489 5.482 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)ccc1I 408778165 CEYFFIVIDPZWSJ-XKZIYDEJSA-N 420.338 5.759 30 40 HKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 409082501 SSIFPDGUMYYWDV-AXNZHVIBSA-N 422.594 6.485 30 40 HKEB CCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C)cc1 409170922 YCVVKTBYQBKRIU-JHXFIANCSA-N 417.578 6.545 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(C)C 409213754 UNIFTTHJIJRMBQ-JYSLEBDSSA-N 424.610 6.565 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409218940 YRAXELNJTUVRTI-YBFXNURJSA-N 406.850 5.713 30 40 HKEB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 977003 VMZOLJONTMSEGH-UHFFFAOYSA-N 411.914 5.116 30 40 HKEB N#Cc1c(-c2cccnc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 988581 URLBHXGYZFSXRZ-UHFFFAOYSA-N 407.498 5.657 30 40 HKEB Cc1cccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCOCC3)c(C)c2)c1 1441673 YQMQSNCTMLSDAS-UHFFFAOYSA-N 409.489 5.343 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 4869672 ONYKRRVUHYDZCK-ZBLYBZFDSA-N 423.516 5.311 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O 4910612 UQHBCWNCIRAQBG-NRFANRHFSA-N 417.553 5.014 30 40 HKEB O=C(COc1ccc(/C=N/c2ccc(Br)cc2)cc1)NC1CCCCC1 5944574 SQASBVSZMYPQGA-OEAKJJBVSA-N 415.331 5.027 30 40 HKEB O=C1/C(=N\Nc2c(Cl)cccc2Cl)C(c2ccccc2)=NN1c1ccccc1 12376584 ZOHSMPVHMJHEDJ-QQTULTPQSA-N 409.276 5.212 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1OC 83295110 SBYBJKKWKHGQRU-MZHDSZJTSA-N 422.550 5.641 30 40 HKEB C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OCC 408575671 WUAZXJIYWNJSIH-KRWDZBQOSA-N 400.862 5.193 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC 408621521 OMQFQCFOCNXRMN-UHFFFAOYSA-N 403.478 6.003 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1 408749631 ICQAQETUTUUGOB-RMORIDSASA-N 417.252 5.322 30 40 HKEB Cc1cc(/C=N\Nc2ccccn2)cc(C)c1OCc1ccc(Br)cc1 408842572 ATXSLKLUXIVTKE-CFRMEGHHSA-N 410.315 5.486 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408851724 FKLCHWAIBABRRG-UEUDXMDBSA-N 420.578 6.268 30 40 HKEB CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC 408894167 DWHROVBWUSFOSK-UHFFFAOYSA-N 416.901 5.265 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409394221 XITKOXNSIFWWIL-FLOSOGMCSA-N 414.505 6.333 30 40 HKEB CC(C)(C)OC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 817979 DSHUVGQLTIDTNV-UHFFFAOYSA-N 400.447 5.134 30 40 HKEB CC1(C)[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl 900667 KAATUXNTWXVJKI-NLWGTHIKSA-N 416.304 6.178 30 40 HKEB in-vitro O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O)c1cccs1 2409528 BOIDSQQAGAKBQS-HAHDFKILSA-N 424.477 6.251 30 40 HKEB COC(=O)c1ccc(COc2ccccc2/C=N/c2ccc(Br)cc2)cc1 3233980 YMEMMJZFFYEEPW-ZVHZXABRSA-N 424.294 5.565 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 4597580 HLTSFAKZSVQSFW-AFMDSPMNSA-N 418.496 5.899 30 40 HKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 5529348 FRFUEKVYYSANGX-ZHZULCJRSA-N 407.926 5.585 30 40 HKEB N#Cc1cc2c(nc1SCC(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCCCC2 8412891 JNRPVWVUHTUBNM-UHFFFAOYSA-N 424.569 6.158 30 40 HKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 8811353 GTCAIZWLEMVJCD-DHRITJCHSA-N 415.320 5.705 30 40 HKEB N#Cc1c(NC(=O)COc2ccc(Cl)cc2)oc(-c2ccco2)c1-c1ccco1 13625288 FPPBQQCWEDOEBS-UHFFFAOYSA-N 408.797 5.342 30 40 HKEB O=C(O)c1ccc(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 15224770 WFFSOWXQEFJMPN-JMIUGGIZSA-N 415.199 5.066 30 40 HKEB Cc1c(OC/C=C/c2ccccc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182572 SFPZMSYMJZLNDB-SUCYAFSJSA-N 421.496 6.195 30 40 HKEB CC(=O)Nc1s/c(=N\N=C/c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 32623437 VMFWMPHLEBHFGE-CBYLDWDHSA-N 412.518 5.099 30 40 HKEB C#CC(CCCC(C#C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 67319189 VGMGNSWHLFMYFQ-UHFFFAOYSA-N 424.587 7.396 30 40 HKEB C/C(=C/c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1 104167460 KTKAAPOLGAVYOZ-WUNVQGDBSA-N 408.541 6.452 30 40 HKEB C=CCOc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225868889 BGNQBVNLUGHWPA-UHFFFAOYSA-N 415.002 6.137 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408595252 LNJQYMIDNMMVRP-LGJNPRDNSA-N 411.288 5.995 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 408721803 YZUZSXVXVPTCNW-KEBDBYFISA-N 411.215 5.016 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408738623 MPCMISRGAOMBQG-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)NC1CCCCC1 408805837 LTSHPKUTZSWVSV-UCQKPKSFSA-N 415.331 5.027 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1cc(C)ccc1C 408910661 XOUZPSKYGYSYQB-AUCMGLCLSA-N 415.902 5.489 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(C(=O)O)cc3)cc1)N2 408933835 BNVBALBHLHNPEJ-SEUCCCPNSA-N 408.501 6.270 30 40 HKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1cccc2ccccc12 409372891 SDNSCIVRUGPBCW-LFVJCYFKSA-N 420.508 6.640 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c(C)c1 409381625 HYXUDACJLBSSCJ-ZMFRSBBQSA-N 410.876 5.864 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(OC)c2)C2=C1CC(C)(C)CC2=O 916027 KBGXKPFKTULSKA-UHFFFAOYSA-N 423.553 5.106 30 40 HKEB C(=N/c1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1)\c1ccc(-c2ccccc2)o1 4789714 HQMWHIVMHJDVKW-CZYCKNNWSA-N 416.480 7.708 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 5604458 YWFQQQDCCGFDCY-WPWMEQJKSA-N 406.510 7.087 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 6449718 JQUGNTKIHOIALF-IXORVSQSSA-N 404.897 7.118 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(C)cc1 6477862 NJBZMYXNGONBAT-UHFFFAOYSA-N 400.345 5.494 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 8811730 YDFIOVFAQFTNEX-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB CSc1ccc([C@@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1 9547496 YWBCUJMUQALNIB-AOMKIAJQSA-N 418.518 5.369 30 40 HKEB C=CCOc1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2Cl)cc1OC 9884148 YCEZOLFZMHVLDQ-HXUWFJFHSA-N 424.349 5.341 30 40 HKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/N(c1ccccc1)c1ccccc1 12571634 MPXVJXRCOMGOAA-WGOQTCKBSA-N 421.331 6.660 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 13590286 WFIMRMKSSXICDO-ISJGIBHGSA-N 419.459 5.110 30 40 HKEB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 16162180 XWTJBIKFCUIWKU-UHFFFAOYSA-N 419.843 5.974 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc1Cl 36612595 MDHKJVXFXCDIDI-HLAWJBBLSA-N 416.945 5.480 30 40 HKEB CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]1(C)CCCC(C)(C)C1=C(O)C2=O 96932985 LXMVTMUQCSMREC-XMMPIXPASA-N 414.498 5.137 30 40 HKEB biogenic,in-vitro CCCCCCCCCCOc1cc2c(cc1OCC)NC=C(C(=O)OCC)[C@H]2O 100038208 RSRHQRPZSHOGSB-QHCPKHFHSA-N 419.562 5.511 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 257345231 KHWMMNOVUASODC-WWAHJTAZSA-N 419.609 5.639 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 408592594 MUKPXXMLKPALGE-BUVRLJJBSA-N 406.438 5.123 30 40 HKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21 408760447 YUGCBATZVHKKCA-YZIHRLCOSA-N 423.472 5.872 30 40 HKEB Cc1sc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C#N)c1C 408818184 ZOROGLLCHUKONE-OPEKNORGSA-N 415.345 6.873 30 40 HKEB O=C1/C(=C/c2cn(Cc3ccccc3F)nc2-c2ccccc2)Sc2ccccc21 408973840 CCKZLKXCNWCTGB-UCQKPKSFSA-N 412.489 6.067 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4c(C)c4ccccc34)S2)c(C)c1 408995705 DHFDMMCIYKAICN-MFKUBSTISA-N 422.553 6.810 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 409198642 IYUWFXLAUBFIQD-UHFFFAOYSA-N 415.100 5.528 30 40 HKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1O 6440234 XHPUNUATBBBMIE-JZOCJUILSA-N 411.137 6.181 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)nc2c1 6554903 CTPLRAMBEOQGIC-PVLQNKMRSA-N 415.449 6.373 30 40 HKEB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 7079967 BXDAWKRHSKVBEA-WMZOPIPTSA-N 424.610 6.302 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)c(F)c2)cs1)c1ccc(F)cc1F 12923290 KCEPAQNNNNCRLC-QPJJXVBHSA-N 420.387 5.280 30 40 HKEB O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(F)ccc1OCc1ccccc1 13512759 DRLSNGIVEZIPHG-SOFGYWHQSA-N 424.855 5.821 30 40 HKEB O/C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)=N\c1cc(Cl)ccc1F 82098399 NJNZFWAHEHCFHP-SFHVURJKSA-N 404.869 5.066 30 40 HKEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 96346037 FFYTWMVGFRVTQF-RBUKOAKNSA-N 410.477 5.343 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 102698167 WJESYPLEADTYDG-HOGKFDNTSA-N 416.477 5.041 30 40 HKEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 107584062 QAZXKCYURVIQCB-DNTJNYDQSA-N 419.102 5.542 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757763 IWVXCCGIGCBNID-KRWDZBQOSA-N 421.497 5.484 30 40 HKEB Clc1cccc(COc2ccccc2/C=N/N(c2ccccc2)c2ccccc2)c1 408813130 PQDFFHQDJQOIDA-TURZUDJPSA-N 412.920 7.091 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 408884888 VWVXDGWKIDYOEI-AUWJEWJLSA-N 413.713 5.547 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c(C)c1 408949231 ADALKNCJSDHHSU-JCMHNJIXSA-N 416.550 5.052 30 40 HKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 409051358 LFFCPIVQXPHQOX-LIMNOBDPSA-N 416.255 6.582 30 40 HKEB COc1ccccc1OCCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409141805 JAAUPPIWHBONQK-UHFFFAOYSA-N 423.468 5.192 30 40 HKEB CCOc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)c(C#N)cc2c1 907346 RBRVRXXKTVKPFU-UHFFFAOYSA-N 413.502 5.389 30 40 HKEB C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 985805 QKEOWHHWYVDZFG-AWEZNQCLSA-N 422.579 5.203 30 40 HKEB COc1cccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c1 3150284 PFGGIFNYMBHNQS-BHGWPJFGSA-N 406.825 5.636 30 40 HKEB COc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 5555357 IPRIEITZVJIMFM-RGEXLXHISA-N 400.390 5.168 30 40 HKEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccccc2)o1 6303794 LMJBAFBJSQSOCM-VMWROYDRSA-N 415.518 5.009 30 40 HKEB Cc1c(/C=N/Nc2nc3ccccc3n2C)c2ccccc2n1Cc1ccc(F)cc1 7343453 PAUBOADJAJIHOF-JFLMPSFJSA-N 411.484 5.470 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(Cl)c(Cl)c1 7449779 ZJARBBHAHHAJCE-FQEVSTJZSA-N 404.362 6.896 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1N2 12652135 TUNZEGFDZSCUPR-QHCPKHFHSA-N 418.880 5.754 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)c2C)cc1C 59105762 QNMRDKMRJHAKPA-LPYMAVHISA-N 419.525 5.742 30 40 HKEB COc1ccc(/C=C2/CC(C)C/C(=C/c3ccc(OC)cc3OC)C2=O)c(OC)c1 96400485 MZJFSNRLLRWBDW-YXZJEIOKSA-N 408.494 5.187 30 40 HKEB COCC/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccsc1 103458863 NLYFWWMDHCVVPD-YIFDWAQLSA-N 412.367 5.014 30 40 HKEB CCCCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 408910408 IEJIRZRULMFIDR-ZFGFYEEASA-N 402.922 6.192 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2CCc2ccccc2)cc1 408913296 PVRNKSIHSBJMRG-AJNWXCSWSA-N 424.569 6.398 30 40 HKEB Clc1cccc(/N=C/c2cc(Br)c(I)o2)c1 408952940 NHCHCIQUVPUUSX-GIDUJCDVSA-N 410.436 5.051 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 408960972 KOUKWRBDMXFMNL-UDWIEESQSA-N 419.462 5.363 30 40 HKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1O 409100082 PSSHTMNFOSZTCK-CIAFOILYSA-N 412.243 5.557 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc(F)c1 409110708 GBARSAHOAXDXJH-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 409210258 IWZRSUFQUHFRLI-NLTKLDOMSA-N 424.610 6.709 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(N2CCCC2)cc1 409215910 GJNOPHSGPHGYNZ-UHFFFAOYSA-N 418.581 5.260 30 40 HKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC 409334136 UITFGRFXNAASPF-UYRXBGFRSA-N 411.548 5.147 30 40 HKEB FC(F)(F)c1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 2353565 XLHGNPDDFNOSAP-UYOCIXKTSA-N 417.243 5.442 30 40 HKEB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 4349278 JNJQLNKOXILSCE-DEOSSOPVSA-N 416.521 5.000 30 40 HKEB Oc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 4805982 JSGPQOLDFZHJRX-MTDXEUNCSA-N 416.484 6.115 30 40 HKEB O=C1/C(=C/c2cccnc2)Oc2cc(OCc3ccc(Br)cc3)ccc21 5215809 HELRLSLPGKGVLU-JMIUGGIZSA-N 408.251 5.039 30 40 HKEB CCOc1cc(/C=C2\S/C(=N/c3cc(Cl)cc(Cl)c3)N=C2O)ccc1O 6464469 ABCOFLJHQLTPON-SOFYXZRVSA-N 409.294 5.830 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 6813183 DMXZAXKAPMKCLS-JOCHJYFZSA-N 417.892 5.740 30 40 HKEB C=CCNc1nc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cs1 7781254 GPJCJHALBQRXOF-OAQYLSRUSA-N 417.490 5.003 30 40 HKEB C/C(=N\OC(=O)Nc1ccc(Cl)cc1Cl)c1sc(-c2ccccc2)nc1C 8762412 IOIZDYKIIFJCLU-WYMPLXKRSA-N 420.321 6.398 30 40 HKEB Cc1sc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c(C#N)c1C 13503478 XSHKSEWITDNJDT-UHFFFAOYSA-N 420.563 5.511 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccc(C)cc1 13644782 BZAMKGXWFWUUHO-LSHDLFTRSA-N 419.337 5.830 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1c(Cl)cccc1Cl 16578012 KZHHIYRHKMOZSC-XMMPIXPASA-N 422.355 7.347 30 40 HKEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 20195718 LGLSBKMSRYOUDZ-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB CSc1ccccc1NC(=O)CN(C)Cc1ccc(-c2ccccc2C#N)cc1 31040343 IYYOSZIJRYBTCI-UHFFFAOYSA-N 401.535 5.018 30 40 HKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C 100265480 CNZSXSSKVWGQRQ-LISDSOCTSA-N 411.546 5.718 30 40 HKEB COc1ccc(/N=C/c2c(Nc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 100704192 KCUMGRLRUOQAQD-AFUMVMLFSA-N 418.884 5.159 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Cl)c1Cl 104330984 CLKKKWQYPQGNMD-SFHVURJKSA-N 424.327 5.931 30 40 HKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(C)cc2)cs1 105450206 SQEORGRELPWWHT-KOEQRZSOSA-N 407.583 6.914 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 107878631 UQNBLTBLPQKNME-FDEHLECVSA-N 411.932 7.063 30 40 HKEB C[C@H](O[C@@H]1CCCCO1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118929495 IOBZAMAGLIOWSA-JAEJBNBDSA-N 400.603 6.066 30 40 HKEB C=CCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 408560592 ZVQNTOMSRBLWBK-UHFFFAOYSA-N 402.719 6.433 30 40 HKEB Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c(C)c1 409199494 DCLVZRPYJFCISV-ZMFRSBBQSA-N 414.383 6.773 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC1CCCC1 1908690600 HPFVBGJFAYZEBE-RIJSWXIHSA-N 412.614 6.401 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 1434805 VAHFXAKKGRJRCZ-QUGAMOGWSA-N 416.471 6.253 30 40 HKEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]c2ccccc2c1-c1ccccc1 4481647 CFGWAEMIBYBLPH-ZVHZXABRSA-N 415.409 5.487 30 40 HKEB Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)ccc1-c1cc2ccccc2oc1=O 5541257 SCKGEQDHIQFYIG-ZMOGYAJESA-N 400.390 5.133 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccc(F)cc4)on3)c2C#N)C1 8592909 SSARRILCVBOTDN-AWEZNQCLSA-N 423.513 5.817 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 8820732 OLRNRCZSVPKLQN-NVNXTCNLSA-N 412.820 5.259 30 40 HKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1 9434677 GCSMEGJPGBOFPM-CCEZHUSRSA-N 424.294 6.059 30 40 HKEB COC(=O)c1c(/N=C/c2cccc(Cl)c2Cl)sc(Cc2ccccc2)c1C 12275606 CVFDTQCZHUGXRB-WYMPLXKRSA-N 418.345 6.491 30 40 HKEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 13615895 ZNZPVWSXRUHFRM-HAHDFKILSA-N 417.719 5.566 30 40 HKEB COc1ccc(-c2c(C)nn3c2NC2=C(C(=O)C[C@@H](C)C2)[C@H]3c2ccc(C)cc2)cc1 14163777 KXFFLJNLIOPALN-IVCQMTBJSA-N 413.521 5.444 30 40 HKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2Cl)o1 36611341 IPPBIKMEJDWXAS-ZVBGSRNCSA-N 412.849 5.035 30 40 HKEB COc1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59303055 QNDAXWUREYMYSM-SRZZPIQSSA-N 422.731 6.606 30 40 HKEB Cc1cccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 59500700 BFDNTZMGVMYFPC-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(C)sc3C)cc2)c(C)s1 95101084 IAHIETBDWTXPOB-WGDLNXRISA-N 406.572 6.835 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216829830 MBIYNEVBYJEMKL-UHFFFAOYSA-N 413.684 5.415 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677527 VWDYUBCBRYSSRI-INIZCTEOSA-N 407.470 5.094 30 40 HKEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C)C1=O)[C@H](C)CC(C)(C)N2C 260572268 UGSVNXDLUDWLDK-PBZNDTEZSA-N 419.594 5.951 30 40 HKEB CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)N1CC 408929586 LFIOQRLOHFJPFH-PDIQUHFFSA-N 422.381 5.713 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 409072167 MDJLKOOBZPLLNG-PCLIKHOPSA-N 402.450 5.662 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409198891 ABYBIISPKSFQHV-CVKSISIWSA-N 402.494 5.389 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Br)cc1 409278289 CNLBBUXBKSSAHZ-UHFFFAOYSA-N 410.315 5.089 30 40 HKEB C=CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409299844 VTGUDVHDLSYUCT-UHFFFAOYSA-N 421.928 5.545 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c1 409313599 COPDPAQMSPOUJW-HMAPJEAMSA-N 401.487 5.342 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409353491 LZAFQROKRNGPHF-UYRXBGFRSA-N 415.898 5.544 30 40 HKEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 649871 RSGWPMGXHPCXAA-MNOVXSKESA-N 409.338 5.457 30 40 HKEB CCOc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2OC)c1O 1510817 KJBJSTSUULATIW-AFUMVMLFSA-N 402.450 5.667 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CC[C@@H](C)C3)cc1 4723889 OGGUGKQEWSYMHP-JMKVTYIUSA-N 410.564 5.946 30 40 HKEB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4C#N)cc3)C(=O)O2)cc1 5744565 JHHUACFEWBBSLB-HYARGMPZSA-N 409.441 5.127 30 40 HKEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 6941742 RJDHRNMVNUKYNY-HZRSJKMUSA-N 414.457 5.300 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(Cl)c(Cl)c2)cc1 12463464 MUFCLWAKVXJBIC-JJFYIABZSA-N 405.354 6.094 30 40 HKEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)c1O 18140325 MLPOEUHNBFYCTM-KWZOLKRCSA-N 416.502 5.205 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)c2c(sc(C#N)c2N)N1 28465150 MXZHHSHVFAKDJN-GOSISDBHSA-N 420.925 5.325 30 40 HKEB CCCCCCCCC[N+](C)(C)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 70664752 NMLYRLLWVDYESA-UHFFFAOYSA-O 423.625 5.581 30 40 HKEB biogenic CCCCCCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@H]12 70665483 GXCLTLUTGZEMKG-HOFKKMOUSA-N 412.662 7.899 30 40 HKEB biogenic Cc1ccc(-c2c(C(=O)/C=C/c3ccc4nccnc4c3)c(C)nc3ccccc23)cc1 72314662 NUOFYJUBXKLPHV-GXDHUFHOSA-N 415.496 6.358 30 40 HKEB COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 101080838 DEDPXTVIHNAKDY-RSXNERHXSA-N 400.931 5.609 30 40 HKEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(C)=CC1(C)C 208510632 BWHJNEPTMFNGST-YDZHTSKRSA-N 423.473 5.279 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1cccc(F)c1 223677229 RKVVRQGPOGFBQS-UHFFFAOYSA-N 419.312 5.259 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccccc1Br 408653580 JMEBQIMQCPFBSW-YDZHTSKRSA-N 422.330 5.189 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)cc1 408766445 QRLIRRDQLNPLSC-ZMOGYAJESA-N 415.762 6.823 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC 408908480 FGCWFUASEHOQQW-NFEGURHZSA-N 410.539 5.415 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 409080333 NCKUGXTXINEUNK-MOSHPQCFSA-N 407.828 5.403 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409099494 SZMRSQDFVUBCMR-HYARGMPZSA-N 419.477 5.780 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br 409202364 RZUJTJSEAVCUPA-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 2351483 LOLKGDPOQFSHNT-UZHBQURLSA-N 417.937 5.503 30 40 HKEB O=C(/C=C/Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 2389194 ZJXHIUMSGGJZJZ-AATRIKPKSA-N 410.766 6.866 30 40 HKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5854092 HKHOQPGKNZJDFC-YVLHZVERSA-N 401.256 5.017 30 40 HKEB CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2cccc(Cl)c2)C1=O 6227921 YOIDCPASXLBRGI-YBEGLDIGSA-N 420.317 5.537 30 40 HKEB N#Cc1cc(Oc2ccc(Cl)cc2Cl)c(-n2nnc3ccccc32)cc1C#N 6886177 LRZWNJFSXPAYNA-UHFFFAOYSA-N 406.232 5.263 30 40 HKEB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N/N=C/c3cccc(Cl)c3)nc2n1 8673001 ODUHCVCXHRTYKP-ZNLRHDTNSA-N 418.728 5.767 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 8811673 SXIPGXIWMZKBKI-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2ccccc2Cl)o1 12284808 YRORTOVMIRQVQX-PKNBQFBNSA-N 419.820 6.664 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 12651276 SDYKXEJROPEURS-UHFFFAOYSA-N 400.934 7.034 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2O)cc1OC 17137618 NSVXMZCZRULHQD-YVLHZVERSA-N 422.428 5.845 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OCC)c1O 18272459 YAGJYRXSZGXUEL-DEDYPNTBSA-N 408.523 5.028 30 40 HKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)cc1 100986525 FYSKFBMJPIDWJH-FRHWEDRMSA-N 424.544 6.041 30 40 HKEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Br)cc2)cc1 102012210 RRDLQEFDKFKGQC-DARPEHSRSA-N 421.294 5.065 30 40 HKEB CCCCCCCCCCCCOCCCCC(=O)Nc1cccc2ccccc12 105406152 JYFFXQIQGUIGPC-UHFFFAOYSA-N 411.630 7.886 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H]1O[C@@H]13 119186586 RSCRZLUNFHPKSW-WNTHXILESA-N 402.663 6.456 30 40 HKEB Cc1ccc(-c2ccc(/C=N\OCc3cccc([N+](=O)[O-])c3)o2)c(Br)c1 408593437 POSFKXUJKGZOFB-NHDPSOOVSA-N 415.243 5.476 30 40 HKEB COc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 408784035 QQJYGOLIQWYCKN-WGOQTCKBSA-N 404.535 5.316 30 40 HKEB Fc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408857705 VYOBPPWENSITHT-FBHDLOMBSA-N 410.695 6.736 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)c(C)c1 408931335 KFMDZGJULJURBP-ROTLSHHCSA-N 415.320 6.247 30 40 HKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc(F)c1 408976288 AJZQHQRDVLPXOU-UHFFFAOYSA-N 417.484 5.198 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 409199443 DGVSZQSFCAFQBE-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB Cc1ccc(C)c(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)c1 409215242 VYAYXQCNGZZJSD-YZSQISJMSA-N 415.514 5.975 30 40 HKEB Clc1ccc(CN/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 10119135 ZPFROSAKUYEWNT-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB C/C(=N\N1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12546690 IBULJIUOFKKIJU-HGQHNSGJSA-N 424.331 6.158 30 40 HKEB COc1ccc(/C=N/SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 17142744 NTUGGKIFPKVPKO-SGWCAAJKSA-N 409.554 6.754 30 40 HKEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 27562649 JQHRXYPMPSRNJY-SFHVURJKSA-N 412.946 5.567 30 40 HKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCCC1 32624537 OJJMAJIHOUKPKR-NRFANRHFSA-N 422.916 5.028 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1C 59137113 AXRUPLZGCVWAST-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc(N)c1 59662234 JUASIFNPZSLJNM-UHFFFAOYSA-N 424.695 6.809 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C 100286486 BWCYCAUZXIJKDE-FTJNEJEMSA-N 400.503 5.812 30 40 HKEB CCCCCCCCCCCCCCCCCCn1c([C@@H](C)O)nc2ccccc21 100729035 WILFVODEZMIOLL-XMMPIXPASA-N 414.678 8.351 30 40 HKEB CCCCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 104053537 UPNARAPJXYOZGZ-GOTSBHOMSA-N 410.639 6.738 30 40 HKEB CN1CC(=O)N(/N=C/c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 408973782 BPMNISZRVRHQLN-TZVKMXPSSA-N 417.123 5.107 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 409203527 WWMLWPDJDMZYPI-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409229874 ARWMWBCCZSNADX-XSGZQOPMSA-N 405.838 5.011 30 40 HKEB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1 409327314 JAGOINITHRISRY-NDENLUEZSA-N 418.499 5.233 30 40 HKEB O=C1C=C[C@H](Nc2ccc(Cl)c(Cl)c2)[C@H]1Nc1ccc(Cl)c(Cl)c1 1588911 IBHDFXRFDFEFAS-DOTOQJQBSA-N 402.108 5.700 30 40 HKEB C=C1[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 3190827 BIVLRFGJAOMWBY-VXKWHMMOSA-N 404.554 5.661 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC 4700112 MJWNKUUUISJWQW-ZHZULCJRSA-N 411.548 5.228 30 40 HKEB CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 4808685 OVBJRDJVKMBEDD-HNNXBMFYSA-N 408.571 5.406 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 11617427 UNWSYFWLNSTAOH-YDZHTSKRSA-N 419.531 6.562 30 40 HKEB COc1cccc(/C=N/c2cc(Cl)cc(Cl)c2)c1OCc1ccccc1F 100384220 OROKDLQZZKUQCX-BRJLIKDPSA-N 404.268 6.471 30 40 HKEB O=C(O)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408837446 FNKQWZPTVMJGMV-YSMPRRRNSA-N 418.518 5.006 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409096694 KJIQISBAGGBMMN-AUEPDCJTSA-N 415.257 5.155 30 40 HKEB N#Cc1c(O)nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1C1CCCCC1 1043289 BVWCKDMNROTYMZ-UHFFFAOYSA-N 424.404 5.180 30 40 HKEB CCCCCCCCOC(=O)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 2193177 RUWVRMDFGDKZFZ-FQEVSTJZSA-N 418.002 7.175 30 40 HKEB Cc1ccc(OP(=O)(Oc2ccc(C)cc2)N2C=Cc3ccccc3[C@H]2C#N)cc1 3954353 NFXWVIKRJLDWAX-XMMPIXPASA-N 416.417 6.421 30 40 HKEB in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/N=C/c1ccc(F)cc1 4082382 AMLPMOKTYSXKFI-HSKIAPCTSA-N 408.561 5.924 30 40 HKEB C=CCN(C(=O)c1ccccc1OCc1c(C)noc1C)c1nc2c(s1)CCCC2 6580511 XGLUAEYKLDQQAW-UHFFFAOYSA-N 423.538 5.039 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 6595728 UKZSHMPKDXPARB-UHFFFAOYSA-N 404.308 5.325 30 40 HKEB CCCCCCCCCCn1c(SCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8426361 CUEFOGSUNWNCGG-UHFFFAOYSA-N 422.639 5.236 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 8449913 KIZSJMVAEJMGMB-UHFFFAOYSA-N 400.588 6.860 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(Cl)cc1Cl 8733530 NPHGYPPVFVWOTJ-UHFFFAOYSA-N 410.087 7.026 30 40 HKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)cc1Cl 8821149 ZIRBYOWSXHURST-MLPAPPSSSA-N 418.132 6.192 30 40 HKEB CCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 14923474 LIAMPRZVSYQLQW-UHFFFAOYSA-N 422.937 5.986 30 40 HKEB COc1ccccc1CN/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 20762154 CZXHWKYFQLSARM-UXHLAJHPSA-N 419.528 5.975 30 40 HKEB CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(Br)cc3)o2)nc1C#N 33324435 FLLFLLSFFOUUKV-LBPRGKRZSA-N 416.275 5.358 30 40 HKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2cc1C 34791549 JDCIXMMIAHGCQJ-UHFFFAOYSA-N 415.440 5.473 30 40 HKEB CSc1ccc(NC(=O)NCCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312789 AFIDDSNGYXTQAR-UHFFFAOYSA-N 419.554 5.069 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(C(=O)O)c1 59302485 ACRFMFCPZFWYTQ-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(-c4ccccc4)cc3)cs1)C2 101579457 ZZCMYMJPBRHXIB-OOXPRGDHSA-N 401.579 7.091 30 40 HKEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 103775674 DMYSVXYUIXDPEL-MONKAWABSA-N 421.566 5.288 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408756857 XVHGKIAUQVVXOZ-WQRHYEAKSA-N 424.865 5.190 30 40 HKEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc2ccccc12 408935880 FAIMMFSWUHEUBH-VXLYETTFSA-N 407.853 5.397 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)S2)cc1 408964829 HTWUIPUOTYWCIL-HYARGMPZSA-N 401.535 5.353 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccccc2Cl)nc1 409068814 ISEYFYFJHMLDES-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCCC 409071524 GSCULLPAKDGPQS-CJLVFECKSA-N 404.510 5.409 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC 409206684 ZYHDHZAQPKYURN-CIAFOILYSA-N 421.278 5.232 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409215753 DZRTXCQDYALDQC-BUVRLJJBSA-N 406.438 5.332 30 40 HKEB CCn1c(-c2ccccc2)cnc1SCC(=O)c1sc2c(c1C#N)CCCC2 924737 UGYMGYQNZBFIRR-UHFFFAOYSA-N 407.564 5.357 30 40 HKEB O=C1CS/C(=N/N=C/C=C(\Cl)c2ccc(Cl)cc2)N1c1cccc(Cl)c1 2157205 CHQQDAGMPXMMRL-MVKUQHOMSA-N 424.740 5.695 30 40 HKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)sc(C(=O)c2ccccc2)c1N 2576491 IOPCIJHEODUKCL-UHFFFAOYSA-N 419.358 6.032 30 40 HKEB CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2Cl)c(=O)c1C#N 3105312 AWRHBIJUBLUIGV-UHFFFAOYSA-N 401.318 5.464 30 40 HKEB N#Cc1ccc(COC(=O)CSc2ccc3ccccc3c2Br)cc1 3252938 UFOPUYYLMUFUAX-UHFFFAOYSA-N 412.308 5.309 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 4909766 GMUAHLKPDUUAGK-SNPIYUIBSA-N 417.534 5.093 30 40 HKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944874 XWRVJJFTZSALFH-IBGZPJMESA-N 423.484 5.007 30 40 HKEB O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC1 8782016 XKQSPHMBCFUQNJ-JBBCBPGOSA-N 418.718 5.564 30 40 HKEB COc1ccc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3o2)cc1OC 9047242 BXTBFXZFRNBCFP-SSZFMOIBSA-N 405.475 5.638 30 40 HKEB N#Cc1ccsc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 9126543 GVKIEKBOAVSJTO-UHFFFAOYSA-N 417.515 5.673 30 40 HKEB Cc1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1F 13102576 WLUZZCCOBDNHKQ-UHFFFAOYSA-N 417.465 5.359 30 40 HKEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)C1 17088051 ZZRSVDNKCRYOFK-ZWKOTPCHSA-N 408.523 5.289 30 40 HKEB CSc1nc(Nc2ccc(F)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820516 XUWYXTGQVGCYTL-UHFFFAOYSA-N 405.285 5.927 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc2ccccc2n1 34132941 HJUNPDYYODLDFU-HHHXNRCGSA-N 404.513 6.698 30 40 HKEB Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2cccc3ccccc23)c(C)c1 34805497 GIXWLNKBJJGFOB-ZJYJGZPJSA-N 401.535 5.311 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)Cc1ccccc1 80060669 GGWOLUASGAFYMV-UHFFFAOYSA-N 418.686 7.288 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 97950501 OBUBMTOVEOHXRR-UHFFFAOYSA-N 413.656 7.304 30 40 HKEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])O2 100944164 ZZURGLVLOGGSOR-WLYLGGEESA-N 411.889 5.599 30 40 HKEB O=C1c2ccccc2C(=O)C1/C(=N\c1ccccc1Br)c1ccccc1 104223500 AJRVZPMNWRJKBK-GFMRDNFCSA-N 404.263 5.265 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S1 408766455 QWNPKZCGZCKKKZ-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB C=CCN(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 408980049 UAVNQQCTWUHMSY-UHFFFAOYSA-N 419.488 5.453 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCCCC4)cc3)c2C#N)C1 409054119 MSVJAZTYKIXYSP-VEMGOHLESA-N 405.611 6.512 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c(Br)c1 409203732 XNVHKVWNMPJADU-QRVIBDJDSA-N 410.315 5.310 30 40 HKEB Cc1ccccc1-n1cccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405248 NVIZWVXZELFRSS-UHFFFAOYSA-N 404.473 5.045 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)cc1 1531296804 YJQCBRZLROVOJW-JHAVZTMOSA-N 418.722 5.208 30 40 HKEB CCc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1CCCC2 626521 DFLQLOLNJFLKPA-UHFFFAOYSA-N 415.356 5.132 30 40 HKEB CCOc1ccc2nc3c(cc2c1)CN(C1CCCCC1)/C(=N\Cc1ccco1)S3 4858457 GBZRSTFHVXLLPH-OCOZRVBESA-N 421.566 6.023 30 40 HKEB CCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1 6600689 VFYMBNBAVONMPP-OVVQPSECSA-N 424.504 5.385 30 40 HKEB CC(C)(C)c1ccc(CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)cc1 6781540 ZCIHIGLKDQRWIY-UHFFFAOYSA-N 416.634 7.011 30 40 HKEB COc1cccc(C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)c2nc3ccccc3o2)c1 9054224 NISSZKNMXZFBSD-DBZAVIBRSA-N 423.468 5.967 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc(-c3ccccc3)cs2)cc1 11991996 SBUCEHRACUBZFW-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB c1ccc(CC(=N/Nc2ccccc2)/C(Cc2ccccc2)=N\Nc2ccccc2)cc1 13402530 KIVQHQYEIKVWGY-YDWWYXFJSA-N 418.544 6.408 30 40 HKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439703 SDRQLCWKYNSKTI-YDJIHCHBSA-N 423.390 5.332 30 40 HKEB CCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1 100959428 GBULNHOYHZPYDV-XTQSDGFTSA-N 422.978 5.669 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC[C@H](C)CCCC(C)C 104151800 WFIGUHNDAQTVIX-HHHXNRCGSA-N 424.754 9.644 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Cl)c1OC 408529304 HCVUBDIZXSBPGQ-YBEGLDIGSA-N 423.321 5.292 30 40 HKEB C=CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccccc1 408594012 CYPVTVDOMMJRAZ-UHFFFAOYSA-N 415.518 5.171 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1C(C)C 408739365 VXAHKKWFFUAGJW-JMIUGGIZSA-N 414.958 5.980 30 40 HKEB C#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 408797072 FPZPLLAFQXPJMW-ONUIUJJFSA-N 420.578 5.452 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408909791 HLLFPNFVEQMRIA-QNQNADBQSA-N 409.511 5.616 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2CC(C)C)cc1 408916592 YIDSKDATSYTQMI-GCXIQGEKSA-N 406.595 6.553 30 40 HKEB Clc1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 408932265 VFBHTWCUEFQHGE-ZVHZXABRSA-N 401.293 5.841 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1O 408933813 BMQIGNRASVDKHV-BUCCSIKXSA-N 410.517 6.368 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/C=C/c1ccccc1[N+](=O)[O-] 408967105 SGJQAXXBRVYKAH-JJHRSPRKSA-N 420.277 5.349 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccccc1 409216262 GSTQSGGUKHMTOO-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB COc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 409216654 NHBKOALXVGYCIO-OGLMXYFKSA-N 424.500 5.925 30 40 HKEB C=CC[C@@H]1C[C@H]2CC3(CC[C@]2(C)[C@@H]2CC[C@]4(C)[C@@H](OCOC)CC[C@H]4[C@H]12)OCCO3 1776011299 XWARBRAJICOSKJ-RWMUIKPGSA-N 418.618 5.564 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(F)cc1 2337756 AGYXVNVOWVOVFR-INIZCTEOSA-N 424.545 5.515 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1ccc(Cl)cc1 4828761 KKLAEAUMJWKHJU-MZJWZYIUSA-N 407.304 6.440 30 40 HKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 5068556 QFOIACZXBNZTSI-CVKSISIWSA-N 400.913 6.520 30 40 HKEB CCc1ccc2[nH]c3nc(N/N=C/c4ccc(-c5cccc(Cl)c5)o4)nnc3c2c1 5471598 XRGTVUHBCUIRFN-WYMPLXKRSA-N 416.872 5.428 30 40 HKEB CCn1nc(C)c(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C 6490011 MLKUQGRBKYSZFA-OOCBRBLGSA-N 418.585 5.557 30 40 HKEB C=CCOc1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2Cl)cc1OC 9884150 YCEZOLFZMHVLDQ-FQEVSTJZSA-N 424.349 5.341 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(OCCOc3ccccc3)c2C#N)cc1 12370992 FFRIKPUKDHKWLX-UHFFFAOYSA-N 422.484 5.754 30 40 HKEB COc1cccc(/C=C2/CCCC/C(=C\c3cccc(OC)c3OC)C2=O)c1OC 17784309 LIURKLRYLCGHBR-JRDMOELTSA-N 408.494 5.331 30 40 HKEB CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 32984154 UWBVWSNOMKISEK-UHFFFAOYSA-N 419.502 5.043 30 40 HKEB C=CCOc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 59475150 JCUHKHXOJLAFOH-CIAFOILYSA-N 414.328 5.583 30 40 HKEB CCCCCCCCN(CCOC)CCN(CCCCCCCC)CCOC 100923879 KFMWIFYBGGZMAJ-UHFFFAOYSA-N 400.692 5.604 30 40 HKEB Cc1nc(C(F)(F)F)ccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 103120838 FSQGQORDNDJOKE-IUCAKERBSA-N 422.291 5.048 30 40 HKEB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccccc4)NC3=O)c2c1 408779221 SJDCXVGBVGYBIB-JCMHNJIXSA-N 418.518 5.529 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1C 408974167 CYHIFNXTKJVCCT-CVKSISIWSA-N 417.965 7.193 30 40 HKEB COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1C 409022229 KDOYSHLHPKPFOQ-WSDLNYQXSA-N 401.940 6.398 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc12 409241859 OZSKCCRGHFVZIQ-UMUYUUQJSA-N 420.509 6.002 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 1908690595 HPFVBGJFAYZEBE-AROXNORKSA-N 412.614 6.401 30 40 HKEB CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)C=C(O)[C@@H]3n3cncn3)c2)cc1 1390426 AMDZKBBKTDMZPP-JTHBVZDNSA-N 403.482 5.108 30 40 HKEB Cc1ccc([C@H]2N=C(SCc3cccc(F)c3)NC3=C2C(=O)c2ccccc23)cc1 4085545 VZFOQIJJAFQYES-JOCHJYFZSA-N 414.505 5.675 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cccc1OC 8363029 TZULCKMJIAEABN-RAFWRMIMSA-N 424.566 5.806 30 40 HKEB Clc1ccccc1CN/N=C/c1ccccc1OCc1cccc2ccccc12 8811292 VNKDGGSEJUDVFW-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 12573762 WCIGSQZGIOVIAE-YSURURNPSA-N 413.230 5.952 30 40 HKEB COc1ccc(C)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2c(C)cccc2C)n1 12905510 RDOLQMLIIIPXCO-ZHACJKMWSA-N 420.534 5.658 30 40 HKEB COc1ccccc1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 13777621 BVDPRBBAIZQSSY-YVNNLAQVSA-N 410.828 5.683 30 40 HKEB Brc1ccc(/C=N/CCCC/N=C/c2ccc(Br)cc2)cc1 16400322 WWIXOSRBXXXTFR-JFMUQQRKSA-N 422.164 5.530 30 40 HKEB COc1ccc(N2C(SC)=N/C(=N\c3c(C)cccc3C)C23CCCCC3)cc1 100520999 AOVAGBLMBJJJBQ-LVWGJNHUSA-N 407.583 6.284 30 40 HKEB CCOP(=O)(OCC)[C@H](/N=C/c1ccc(Br)cc1)c1ccccc1 101193567 HWRYILBDNDYNBR-OFBHVFLISA-N 410.248 5.833 30 40 HKEB CC(C)(C)/N=C1\[C@H](N2CCCC2)C2(CCCCC2)C(=S)N1c1ccc(C#N)cc1 101377300 NUKGVUKASKXCGQ-YXQVCNHYSA-N 408.615 5.318 30 40 HKEB C(=N\N=C(C(=N/N=C\c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 104091106 POINJGXMPFZOEB-OHUAVFIHSA-N 414.512 6.033 30 40 HKEB CN(C)c1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N/c2ccccc2)cc1 104311297 DJWXJQJTFZVOEH-KJQPNGKASA-N 416.575 6.051 30 40 HKEB CCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409101147 ABOLTKPYKVLBGB-LPYMAVHISA-N 414.486 5.347 30 40 HKEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384598 DRRXQLTUERBYCC-OPEKNORGSA-N 414.477 5.761 30 40 HKEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 5830417 ZRTJUNIYCGQOBX-INIZCTEOSA-N 413.502 5.165 30 40 HKEB N#Cc1cnc2c(/N=N/c3ccc(Cl)cc3)c(N)nn2c1-c1ccc(Cl)cc1 5896148 QGRJRYNSTDAYJT-OCEACIFDSA-N 408.252 5.572 30 40 HKEB COc1ccccc1/N=C/c1c(O)c(C(=O)Nc2ccccc2C)cc2ccccc12 5943179 KYZCTAWYDJPDSG-JVWAILMASA-N 410.473 5.865 30 40 HKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 6050376 GPLLCBCZPUPRHZ-FQEVSTJZSA-N 410.832 5.250 30 40 HKEB CCCCCCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 8435424 LCWNTUPJUVUOSD-QGZVFWFLSA-N 422.639 5.235 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccc(F)cc2)c1 9174850 CWXAJJDYCARQKU-BFEXVFPXSA-N 413.448 5.317 30 40 HKEB C=CCN(Cc1cccs1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 12544227 OOXUTWLBKNFJDC-UHFFFAOYSA-N 419.579 5.172 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl 13602610 KPRUDIUEEFWLGJ-NDENLUEZSA-N 410.878 6.106 30 40 HKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccnc(Sc2ccccn2)c1 58179509 BXGLTTXBALVYNU-UHFFFAOYSA-N 408.486 5.419 30 40 HKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1O 100954042 RWLXUQJQHQHEII-OYKKKHCWSA-N 406.507 5.344 30 40 HKEB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@@H]2CC[C@H]2O[C@@]23C)c1 101594754 CSMZFWICBSTSSS-OSHDHPNUSA-N 414.542 5.090 30 40 HKEB FC(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531355 SXSREXZPYXYIST-OWOJBTEDSA-N 414.083 5.844 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)c2C)c1C 136374532 AEOKCTQOWZOWJU-ADYJVVQCSA-N 407.564 5.585 30 40 HKEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752870 HVCLPGIHIWJPMS-UHFFFAOYSA-N 417.292 5.241 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 408846337 MXPBBNYZIDSAQP-QRVIBDJDSA-N 421.478 5.244 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)o1 408860730 CRUMOUFGSXNBKH-ODLFYWEKSA-N 423.425 5.194 30 40 HKEB CCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 408980201 FCFVIUSNYCQKRB-LEGXJBLQSA-N 420.578 6.412 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(F)cc1 409118203 SVPBSKGMBFWOFY-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 409199855 FIHXPFNRNMRAGU-UHFFFAOYSA-N 411.973 6.046 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OCC 409214937 YQPOFZYGYAJYER-FYJGNVAPSA-N 421.278 5.314 30 40 HKEB COc1cccc(N=C2NCCCCCOc3ccccc3Oc3ncccc32)c1 643571259 BGRLJQINHWLHMD-UHFFFAOYSA-N 403.482 5.113 30 40 HKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccncc3)c(C#N)c(-c3cccs3)c2C1 663491 QONXXPZHOVIPRP-KRWDZBQOSA-N 419.619 6.520 30 40 HKEB Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(Nc3ccc(Cl)cc3)nc12 945529 OUXCZJYZYQKARD-MFKUBSTISA-N 402.885 5.019 30 40 HKEB Clc1ccccc1-n1cccc1/C=N/N=C/c1cccn1-c1ccccc1Cl 1609100 ATRABQWKGJGCSE-RYQLWAFASA-N 407.304 6.028 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 2101287 ZKIHPMHVQZGSRY-UYENVONXSA-N 420.658 5.052 30 40 HKEB CCCCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 2298881 GQAZMLYCTMOAPU-QHCPKHFHSA-N 421.581 6.679 30 40 HKEB CCCCCCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 3269171 DBHRRNYDJJJCFZ-LVJPRGEGSA-N 412.533 6.352 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C#N)C1 4646513 RSGWPMGXHPCXAA-GHMZBOCLSA-N 409.338 5.457 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 5224674 PSUHWZLQBNTFEV-MYUZEXMDSA-N 405.501 6.147 30 40 HKEB Cc1ccc2c(c1)N[C@H](c1c(Cl)cccc1Cl)C1=C(CC(C)(C)CC1=O)N2 5364102 OBVJYGRMERWDGZ-OAQYLSRUSA-N 401.337 6.524 30 40 HKEB CSc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 5662258 XGIKJUVZZJNTCM-QQXSKIMKSA-N 420.603 6.029 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OCC)c3)c12 8229804 GNZUTBFYQGUMNQ-ACCUITESSA-N 415.493 5.087 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Sc1ccc(C(F)(F)F)cc1 8857133 CMMCXOYAYYYSHK-UHFFFAOYSA-N 424.369 6.809 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 9296683 WEXDYYIKSKVZOI-KGENOOAVSA-N 420.921 5.811 30 40 HKEB C=CCSc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 13147776 MHGQVCJWAACLJQ-UHFFFAOYSA-N 423.519 5.394 30 40 HKEB CCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@@](C)(=O)O1 14285767 XXNJOXORYIWEPW-WXVAWEFUSA-N 404.596 6.782 30 40 HKEB C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2cccc(C)c2)c1=S 16769569 FISSYSMMMVLNPO-UHFFFAOYSA-N 424.595 5.148 30 40 HKEB CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19946878 ROATYJXMZIDVPZ-UHFFFAOYSA-N 421.581 5.839 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)Nc3ccccc3Cl)nc2c1 35291510 POAMETRAXGYPDN-UHFFFAOYSA-N 407.905 5.000 30 40 HKEB CCCCCCCCCCCCCC(=O)Oc1ccc(/N=C/c2cccnc2)cc1 68603346 XVOTWVBPRFKHHZ-XAYXJRQQSA-N 408.586 7.439 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 104125495 URTGYLVCXGSGCH-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB CCCCCCCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1Cl 105525974 WOEAJFKYRBJPCN-RVDMUPIBSA-N 418.411 6.222 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 253531412 LGWMHNQKTCVZTP-DQEXXYORSA-N 421.537 5.481 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1Cl 408613881 WUIPTTCJMSJQDT-UHFFFAOYSA-N 401.131 6.241 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Br 408707603 OZPQKFNSYPVNJP-UHFFFAOYSA-N 411.384 5.425 30 40 HKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccc1 408772824 NHYVSQNDOYFAGA-NDZAJKAJSA-N 408.589 7.313 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408861504 BKSMRUCRUXXTCC-WOARFCOISA-N 422.569 6.886 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 408945775 XHNNCTIKEIHCFW-GOYBLYOSSA-N 414.936 6.931 30 40 HKEB Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 409212208 QBVGQBIGAKEIPG-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 409378772 RODDQBAUAOOKRU-QFEZKATASA-N 417.465 5.288 30 40 HKEB Cc1cccc2c1[nH]c1nc(N/N=C/c3ccc(-c4ccccc4Cl)o3)nnc12 4380381 HJEGCNYNLAGMHJ-FOKLQQMPSA-N 402.845 5.174 30 40 HKEB Oc1ccccc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 4737269 KANRPJPZWOKNOC-QQFRMPOQSA-N 407.557 6.932 30 40 HKEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(C(C)=O)cc1 5283769 DJCKAYWGYQBUEV-DJKKODMXSA-N 411.093 5.173 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1Cl 5477632 WMPHDQQOBJQRHF-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB C[C@H](NC(=O)CO/N=C/c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 6048465 PKHHXXVDFNXIHW-BXKAOODUSA-N 409.357 5.065 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cccc(Cl)c1Cl 8733532 MBHHGFYSQJLNFX-UHFFFAOYSA-N 410.087 7.026 30 40 HKEB CC(C)(C)c1cc(/C=N\N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 12381545 VIOOPISOHRCVKI-IMRQLAEWSA-N 407.602 5.139 30 40 HKEB CC[C@H](C)C1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C([C@H](C)CC)C1=O 13465717 IBKCFAGOOSRAMP-CALCHBBNSA-N 405.542 5.085 30 40 HKEB Clc1ccccc1COc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1 16676025 BATKYRAUGOBHRE-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1OC 17043615 WTQJHLJSNSQJPL-RXFRQMQLSA-N 418.518 5.603 30 40 HKEB CCCCOc1ccc2nc(C)cc(N/N=C\c3ccc(OC)c4ccccc34)c2c1 31769290 QPCVKSRDKJDDDI-PKAZHMFMSA-N 413.521 6.330 30 40 HKEB CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 36522639 VNIKSDPLWLNDCR-QHCPKHFHSA-N 420.597 6.346 30 40 HKEB CCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530826 OTHFSQGPGGCNKB-OUKQBFOZSA-N 400.369 7.932 30 40 HKEB O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 104145792 MYWSNPIICNACRE-MOBKVPTQSA-N 417.892 5.004 30 40 HKEB COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccccc2)ccc1O 408720684 CFPYMSPXHUOZAA-FSJBWODESA-N 422.282 5.229 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1C 408739287 AYBRMUXYQTZGRB-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1C1CCCCC1 408743110 ZJENOVPPUIBFFI-MOSHPQCFSA-N 413.974 6.155 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cccc(Br)c2)cc1 408850250 JMSHUCQGWQNAFC-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408907548 BIEZVEFOYLXVTA-FTJNEJEMSA-N 408.567 6.186 30 40 HKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)cc1 409057619 KFUQXHMBBUDPPL-SSDVNMTOSA-N 415.902 5.169 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409075841 YLTRAFSDNUILFF-FYJGNVAPSA-N 406.482 5.359 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cc(C)ccc2C)c1 409208348 AVBWUYVYDOQIDO-VULFUBBASA-N 406.913 6.033 30 40 HKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 409216527 IZIIPTPLBPMBDB-JVWAILMASA-N 410.473 6.694 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)o1 409329539 FMSSMFPNDJCOIN-ODLFYWEKSA-N 406.463 5.363 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 855916 OPLRYPZQTLAJOR-NTBIESDESA-N 408.354 6.267 30 40 HKEB CC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 1435670 YXGTYXMKIWEDSC-ZVHZXABRSA-N 422.278 5.622 30 40 HKEB Cc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 4747091 ORNKJDXOZSVFIL-HFJWLAOPSA-N 415.533 6.794 30 40 HKEB COc1cccc2cc(-c3csc(N/N=C(\C)c4ccc(C)cc4)n3)c(=O)oc12 5234216 XLHKCPQCVDRXJP-ZVHZXABRSA-N 405.479 5.070 30 40 HKEB C=CCN1C(=O)C(c2ccccc2)(c2ccccc2)S/C1=N\N=C\c1ccccc1 12558770 YUXREJZFLULWKH-DVVIOHFOSA-N 411.530 5.082 30 40 HKEB Oc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 97958246 LHAXIEPKPSCIBM-ZTKZIYFRSA-N 415.496 6.663 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 408912063 KSBHMLKWIJILMJ-MIIQOVFOSA-N 408.523 5.050 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccccc3S)cc2Br)cc1 408915478 VXTZTNWXHXKSOV-RGVLZGJSSA-N 404.354 6.541 30 40 HKEB Cc1ccc(-c2nc(NN=C3CCCC3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408975478 MCFGSUGSIINEIZ-UHFFFAOYSA-N 406.511 6.344 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409099779 UBXDDEKDBZXEQW-PXLXIMEGSA-N 401.487 5.641 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409202038 OAFQURKANPVJEW-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C(C)C 409214738 TXZDIGHTACYHNA-WRIATZMJSA-N 417.578 5.779 30 40 HKEB CCOC(=O)c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409234080 YTOZSCJWHCZWKN-JVWAILMASA-N 400.453 5.756 30 40 HKEB O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc(F)cc1)Nc1ccccc1N2 720493 XMWFGVJVFCPUJJ-CPJLOUKISA-N 418.899 6.459 30 40 HKEB Cc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3F)c(C#N)c2C)c1C 872011 NKCZPWVDGBXGRV-UHFFFAOYSA-N 407.470 5.189 30 40 HKEB Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2ccccc12 5894523 SOGZCEOJVQMSAP-UHFFFAOYSA-N 407.564 5.476 30 40 HKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 6396805 GNWHSQFNMFFVAQ-SRZZPIQSSA-N 409.711 5.687 30 40 HKEB CCc1ccc(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 8201014 LXPAABIXLSNAMH-XIEYBQDHSA-N 419.481 5.451 30 40 HKEB CCCCCCCCOC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8435468 DOLXHYXQSHZFGN-UHFFFAOYSA-N 415.446 5.764 30 40 HKEB C=CCn1c(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)nnc1C1CCCCC1 9054109 GTBZORAHQYSXFP-MRXNPFEDSA-N 409.559 5.724 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 9334243 ZXGQZJCKDHMRLI-NRFANRHFSA-N 421.855 5.570 30 40 HKEB COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 13548648 RIFZSOXSHUJFIY-OVVQPSECSA-N 424.504 5.298 30 40 HKEB C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(OC)c1 24767608 LGFUUGHILDWLLL-VWLOTQADSA-N 419.546 5.038 30 40 HKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1Cl 32931753 JNSWKBSOENIPBG-DENIHFKCSA-N 404.922 5.651 30 40 HKEB CSc1nncn1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 36611365 ZDUSKQMDIULRRO-CGOBSMCZSA-N 417.705 5.014 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCC1 39383561 UQXMDRUKLOJEMF-UHFFFAOYSA-N 413.546 5.438 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 51366993 WTXCCRJQCPCOEX-DZRHBTRISA-N 409.555 5.028 30 40 HKEB CCCCCCCCCCCC[C@@H]1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O 95883110 FBIXXCXCZOZFCO-HXUWFJFHSA-N 406.655 5.982 30 40 HKEB CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 97949670 RCDDCRRSYYYQKV-UHFFFAOYSA-N 423.685 9.171 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 100233580 UHMCMLYKVKJYLU-TWGQILOBSA-N 408.523 5.221 30 40 HKEB FC(F)(F)C(F)(F)CCCCCCCCCCCCCC(F)(F)C(F)(F)F 169795177 AKCDMKRVTIHKJN-UHFFFAOYSA-N 420.375 8.453 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 214701917 UFCUCXXKFRECND-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(=O)CCC3CCCC3)CC[C@H]12 253537497 HPFVBGJFAYZEBE-CSBGOFLKSA-N 412.614 6.401 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1 408759948 OTDYBMIALVABQQ-JCMHNJIXSA-N 416.502 5.166 30 40 HKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1cccc2ccccc12 408931220 IPBLINIXBMVVGR-ZTKZIYFRSA-N 422.528 6.006 30 40 HKEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OCc4ccccc4)cc3)nc1-2 409044825 DMZGWJAQHNIDFK-YSMPRRRNSA-N 412.514 6.053 30 40 HKEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)cc1 409052505 JYKWJFUDWBSFJX-RGVLZGJSSA-N 417.288 5.317 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc(Cl)cc1 409115886 ICQGAOAQVUDKSH-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCCC 409120653 ROGAOIAFDHLUFI-UHFFFAOYSA-N 417.549 7.007 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 409210270 IZZQRMGUGGPNIW-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)C(C)(C)C)c2C#N)cc1 2188348 HRAMMFCEAXKHML-UHFFFAOYSA-N 416.546 6.003 30 40 HKEB Cc1cc(C)c2oc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3)nc2c1 3032335 HNVYOKDAFGMSQF-PPPBCGAESA-N 421.327 7.834 30 40 HKEB O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccn1 4023516 NPTBGLYTRHJJMU-CMDGGOBGSA-N 410.296 5.116 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=N/N=C/c1cc(Cl)cc(Cl)c1OC 4576022 QGRJMWNFVIZASR-KVJLFNRQSA-N 406.096 5.770 30 40 HKEB CCOc1ccc(/N=C(\Nc2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2)cc1 4959784 PGJOXJWOCXYUDX-UHFFFAOYSA-N 411.461 6.337 30 40 HKEB C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 5830905 CMHBZGOQRKGLKY-HXUWFJFHSA-N 413.543 5.061 30 40 HKEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(C)c2O)c1 6263820 QLPNBMHGHUTYRG-UFFVCSGVSA-N 409.711 5.606 30 40 HKEB Cn1c(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)nc2ccccc21 7343324 PGAKEKUDJQQEDS-WPWMEQJKSA-N 406.489 5.752 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Br)cc3)c12 12681206 AHGPPSZHFGJKPC-JLHYYAGUSA-N 420.310 5.442 30 40 HKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 22468682 BJCWHNIZGCOORD-WPWMEQJKSA-N 420.940 5.219 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3c(F)cccc3Cl)o2)CC1 27562598 HMSROBJIWPPYOM-DHRITJCHSA-N 402.901 6.249 30 40 HKEB C=C(Br)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 58391322 YOADOFQSEXLEEX-BOPFTXTBSA-N 417.303 5.211 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1cccc(Cl)c1 59194447 CTHXIRDMDBFKSX-YDZHTSKRSA-N 407.882 5.615 30 40 HKEB CCCN1C(=O)/C(=C/c2ccccc2OCC)S/C1=N/c1ccc(OCC)cc1 97464924 WDFHJOKERSDOQN-RDHMHZQQSA-N 410.539 5.498 30 40 HKEB Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])cc1C 145040744 HFVASNCISIAOKN-WYMPLXKRSA-N 405.479 6.034 30 40 HKEB C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225607893 IVPOHHFLPYEZKT-UHFFFAOYSA-N 407.004 5.515 30 40 HKEB C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F 225957088 RIPFVCSKUKERKC-UHFFFAOYSA-N 411.851 6.131 30 40 HKEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226334568 DNRRGDJQXAMIEX-VQHVLOKHSA-N 407.691 5.424 30 40 HKEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(-c2ccccc2)cc1 408592644 NEVLLPSUTXUOEH-MIXAMLLLSA-N 405.501 6.184 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1C 408727572 UFWOFLXZBYYKAM-WMOWQXFYSA-N 406.551 5.940 30 40 HKEB COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408908576 ANYVYOFMOUPEBM-HUOZHCEOSA-N 416.546 6.169 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OCC 408914695 XFXFRSJBMDWMEO-NVZLDUMVSA-N 410.539 5.496 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408915304 ZJESEMZOWKXOLR-LBMUFILHSA-N 402.519 5.781 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 409216905 MFPMTYRORDWNCJ-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc4c(c3)OCO4)c(C#N)c2-c2ccc(C)cc2)cc1 409362233 ULEFBAWZKOXPHD-WKULSOCRSA-N 420.468 6.581 30 40 HKEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1Cl)Nc1ccccc1F 409382644 WKASBBCBZADBOA-ROTLSHHCSA-N 417.267 5.901 30 40 HKEB O=C(c1ccc(SC(F)(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242621 BIZKCQVRVODAKI-UHFFFAOYSA-N 424.206 5.949 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 5091618 UUMHWIXMXAOLOJ-UIAIJNLVSA-N 415.562 5.782 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1 5345380 MFPHAMLWNFEDFK-UHFFFAOYSA-N 410.498 5.261 30 40 HKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 6262532 GYRDEIHIGPPPIE-YVLHZVERSA-N 401.256 5.017 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccccc1C 17242443 VTBJKWOZSUMYPL-MONKAWABSA-N 421.566 5.265 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3cccs3)N(C)C)o2)CC1 27794184 MYKPDCGRZOTXQG-TVPLGVNVSA-N 400.592 5.787 30 40 HKEB C=C1[C@@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 100062410 BJWJSOYJPSJWKC-MYWAADAHSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro CCOC(=O)c1c(C)oc2c1/C(=C\NCCC1=CCCCC1)C(=O)c1ccccc1-2 103164041 FHRWQYPSTUXUNP-HMMYKYKNSA-N 405.494 5.449 30 40 HKEB C=CCN(CC=C)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 104395419 NAKOVCISOQRBEB-UHFFFAOYSA-N 420.476 5.085 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226340293 KOUFLAQCWCENAR-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc12 226362506 ZSYHPZWIPPTMGS-JXMROGBWSA-N 407.256 6.433 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 252511746 KHWMMNOVUASODC-JSBOEHCPSA-N 419.609 5.639 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408708739 LYFAVLLUVVCUGK-UHFFFAOYSA-N 404.595 5.697 30 40 HKEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 408726244 MMINTNBIOSTNEB-MZHDSZJTSA-N 420.534 5.410 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 408967900 SPORAEFAAZSTGE-WGOQTCKBSA-N 418.493 5.198 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)o1 409210077 DKHSRCSFJLCTJW-UHFFFAOYSA-N 419.315 5.442 30 40 HKEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 1310730 ZYMCLTCVNSEGKS-QKFKETGDSA-N 419.412 5.306 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)CCC/C1=C\c1ccc(Cl)cc1Cl 1729755 KZJYHNUZXHLSFI-DJJIWSAGSA-N 412.143 7.520 30 40 HKEB Fc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1 2093317 QQQCFULEWUNLMN-OPEKNORGSA-N 408.687 7.116 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@]12C 5497685 MKHNPPYVMVKVJL-SZAGRHFOSA-N 422.682 7.814 30 40 HKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 6275846 OBAMYEAOQCCGRF-QFIPXVFZSA-N 415.364 6.832 30 40 HKEB COC(=O)c1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195620 UTEGBOMFEZOPEP-FOKLQQMPSA-N 403.265 5.164 30 40 HKEB Cc1ccc(NC(=O)c2ccccc2Sc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 14945027 APOAFMHHDZYUIC-UHFFFAOYSA-N 414.446 5.050 30 40 HKEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 30940561 PBQKJQAWMATIDU-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB Clc1ccc(O/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 36378003 WTLDJAQYAPHGFC-XQNSMLJCSA-N 415.107 5.980 30 40 HKEB Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 59459251 CAYQLJQWAZLNMQ-RPPGKUMJSA-N 405.803 6.394 30 40 HKEB CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 59490087 HWZJTPWCTZFEOC-UHFFFAOYSA-N 406.482 5.176 30 40 HKEB CCCCCCCCCCCC(=O)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 97944594 AVYBFQBUNSDIDU-UHFFFAOYSA-N 421.632 5.600 30 40 HKEB CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 109018759 NZTWZBLZYBBLFG-NKFKGCMQSA-N 424.972 6.885 30 40 HKEB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 253497818 GQZPOAUVKZAMQR-CVKBLUADSA-N 406.610 7.081 30 40 HKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 408739270 APZVUFNYDVMSIY-ZVHZXABRSA-N 410.359 5.982 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 408817295 NAPZXMKDHRGFBE-AQTBWJFISA-N 415.898 5.544 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2F)N1C1CCCCC1 408864908 AZDDDJGKAFJCMT-LGHZWSLZSA-N 424.497 5.491 30 40 HKEB Cc1cccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1C 409208273 BTLXVBQINHRYED-JVWAILMASA-N 410.473 6.694 30 40 HKEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1OC(C)C 409286097 YOPYOBZYRRMNOB-UHFFFAOYSA-N 419.525 5.122 30 40 HKEB COC(=O)c1ccc(N[C@H](CC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2)cc1 2105727 DSDHERLPEKTIQD-AJQOZTQRSA-N 415.489 5.308 30 40 HKEB biogenic O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 2924726 LNCKOSFAIDYGKI-DEDYPNTBSA-N 424.283 5.917 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 3113198 IZTTYWCODSIFHI-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)CCc2c[nH]c3ccccc23)cc1Cl 3404157 ORCSYSAVXOIUCG-LVWGJNHUSA-N 411.958 5.716 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(Br)cc2)c2ccccc21 4020290 KYZUNOKYFLERCQ-QFIPXVFZSA-N 420.331 6.316 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c(ccc3ncccc13)N2 4707984 OSEIPJHYXMPYFK-FQRUVTKNSA-N 402.497 6.193 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1C#N 5128097 WMDQEGFDOIWRNS-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1Cl 5478500 POEOCYBLHPHTRV-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1)c1c(C)cccc1C 12980728 OCNFYKMHHQRRHA-ZRDIBKRKSA-N 404.535 5.957 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1ccc(F)cc1 17014642 LNPJCXGMBYQGRY-HXUWFJFHSA-N 420.513 5.191 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12 20763540 QRXFKYNLSNKYSU-LQKURTRISA-N 417.940 5.784 30 40 HKEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 34888901 GRONKESKVLEQQO-BHIFYINESA-N 415.924 5.482 30 40 HKEB O=c1[nH]c2ccccc2nc1-c1ccccc1/N=C/c1cccc(Br)c1 95116103 UPRWXSHERGXMRI-YDZHTSKRSA-N 404.267 5.103 30 40 HKEB O=C(/C=C/c1ccccc1)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 96306179 GDKSQHZNPZLJKS-RBNVVWFDSA-N 410.922 5.528 30 40 HKEB CCCCCCCCCCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100530377 SOPVDKZKKKHCAF-UHFFFAOYSA-N 403.548 6.578 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)cc1 137617720 NPWRZVALUVVVQV-OVKKOYPGSA-N 402.538 6.535 30 40 HKEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225847410 QWKCRBAOPFASCW-UHFFFAOYSA-N 423.303 5.424 30 40 HKEB Cc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 408549955 CBZQICHRAQGXMV-HYARGMPZSA-N 413.258 6.143 30 40 HKEB CCOC(=O)c1c(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)sc(C)c1C 408913918 WBANWDSNHYVDSF-WYMPLXKRSA-N 424.522 5.398 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)c(OC)c1 408933803 BLCHZHKMDDTQQI-KMXMJQARSA-N 424.544 6.589 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1O 408996758 NARJNTGHQLQZFC-VULFUBBASA-N 420.534 5.335 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409069578 LPSHCQWTIXEHBP-RQZCQDPDSA-N 407.322 5.623 30 40 HKEB CC[C@H](C)n1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409405750 VFBMLJVSEHWXDY-IBGZPJMESA-N 420.516 5.871 30 40 HKEB N#C[C@H](C(=O)c1ccc(-c2nc3ccccc3s2)s1)c1nc2ccccc2s1 2655612 ORCNEILTIPIYIR-GFCCVEGCSA-N 417.540 6.125 30 40 HKEB COc1ccccc1/C=N/Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 4980089 CFDVZZWSTATQCD-LSHDLFTRSA-N 411.870 5.025 30 40 HKEB C/C(=N\NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1cccs1 5602936 WTYACJOHJCUXOJ-HAVVHWLPSA-N 406.447 6.367 30 40 HKEB O=C(c1ccc(Br)cc1)C1(/C=N/c2ccc(F)cc2)SCCS1 6225329 WLUBIJQUEGRGQI-RGVLZGJSSA-N 410.333 5.350 30 40 HKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 9380297 OHKKZBWEDDIXQW-NRFANRHFSA-N 419.864 5.132 30 40 HKEB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9477064 IATBFUYNSORBPE-YCRPNKLZSA-N 406.869 5.300 30 40 HKEB CC/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 14922522 VMMYFEYLXZGTFQ-CJLVFECKSA-N 420.763 6.452 30 40 HKEB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc(Oc2ncccc2C#N)cc1 49547466 XAKIOQSHGHDFRD-IBGZPJMESA-N 419.510 5.121 30 40 HKEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2ccccc2OCc2ccccn2)c1 95478666 SESPYYZJZRMDQF-FYJGNVAPSA-N 417.490 5.401 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 102865467 XSNPHSQMFQZBPF-JBCNATCCSA-N 421.855 5.414 30 40 HKEB C(=N\N=C(C(=N\N=C\c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 104091121 POINJGXMPFZOEB-SQSCGVKXSA-N 414.512 6.033 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1 408916212 WBXSRPDTTFDSMC-DBSKITMISA-N 410.970 6.585 30 40 HKEB CCOc1ccccc1/N=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409386803 SBANPUJZCONOKZ-QFEZKATASA-N 422.550 5.882 30 40 HKEB CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 710755 FZRAUYYWPSUJTA-DCFHFQCYSA-N 424.500 5.591 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 2362171 AKUSSLSRRUMLIW-QFIPXVFZSA-N 412.580 5.026 30 40 HKEB COc1ccc(-c2cs/c(=N\N=C\c3ccccc3)n2-c2ccccc2)cc1OC 5257352 BKWJIZQIIWACGV-YJBIHYNGSA-N 415.518 5.158 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(-c3ccccc3)cc2)cc1 5669432 WRKSGJKEGRNCQR-YZSQISJMSA-N 412.562 6.454 30 40 HKEB COc1ccccc1N1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 8191226 IYXUWJULYKHPEZ-UHFFFAOYSA-N 423.516 5.499 30 40 HKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O)CC(C)C 13655308 OXMRDVYBLCAZEH-MSXFZWOLSA-N 419.521 5.869 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 15013414 ZAMPVEWNFOYXNY-XSFVSMFZSA-N 422.962 6.383 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccccc1 18116653 DCJYMHYTRCAPJR-HHHXNRCGSA-N 408.545 6.503 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 18182586 JSGBFOOGKMUZGF-JOCHJYFZSA-N 406.913 5.255 30 40 HKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1Cl 32931750 JNSWKBSOENIPBG-UGKGYDQZSA-N 404.922 5.651 30 40 HKEB CCCCCCCCCCOC(=O)c1ccc(-c2ccc(CCCCC)cn2)cc1 97997808 ZFCJQHFAPWHMSU-UHFFFAOYSA-N 409.614 7.779 30 40 HKEB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1/Sc2ccccc2C1=O 100209457 YPQSSRXJQNJUBH-LDADJPATSA-N 407.516 5.834 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 102927315 YDIXPKOBVHMNDE-MRJHHRETSA-N 418.518 5.201 30 40 HKEB COc1cc(/C=N/c2ccc3ncccc3c2)ccc1OCc1ccc(C(=O)O)cc1 166438886 RHVFWNHPHPHFCE-JFLMPSFJSA-N 412.445 5.271 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl 408782696 ITXRBBYHFKBKRI-YVLHZVERSA-N 407.322 5.592 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2O)sc2c1CCCC2 408849352 WGHXUXQQSDGRBD-CFRMEGHHSA-N 410.926 5.989 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 408945054 VSQCNJFYHFWKGF-TULYJACKSA-N 414.936 6.931 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)nc1 409072624 JXYQGLIDHQYEMN-OPEKNORGSA-N 417.391 5.171 30 40 HKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 409210083 IAONZMGDCDNYBJ-IWIPYMOSSA-N 410.311 6.177 30 40 HKEB C=CCOC[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)N1 2037843788 JOYCQAOQUCAAAS-NSHGMRRFSA-N 407.480 5.046 30 40 HKEB CCc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 1564289 KXTNQYWZDLPDLS-UHFFFAOYSA-N 406.528 7.355 30 40 HKEB CCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1882346 BGUCDTHOVCWYJQ-UHFFFAOYSA-N 407.510 5.785 30 40 HKEB biogenic O=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116998 IJUGLVFLRALLNB-UHFFFAOYSA-N 415.236 5.214 30 40 HKEB O=C(Nc1cc(/N=C/c2ccc3c(c2)OCO3)c(Cl)cc1Cl)c1ccccc1 3202195 JDNSGQLETNZGBT-BHGWPJFGSA-N 413.260 5.725 30 40 HKEB Cc1cccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1C 6886858 MHHYWOITPMVSPL-UHFFFAOYSA-N 416.502 5.122 30 40 HKEB C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccccc1 7148604 VNRZKNGRAVNRLT-UHFFFAOYSA-N 409.902 5.127 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 8821059 MOBAUEHKXFYLTP-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1 8844489 SOUQYNGFCMICFO-UHFFFAOYSA-N 403.413 5.445 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 13881455 PAVGKIZYKWMAKL-OEAKJJBVSA-N 416.462 5.537 30 40 HKEB COc1ccc(-c2c(C)nn3c2NC2=C(C(=O)C[C@H](C)C2)[C@H]3c2ccc(C)cc2)cc1 14163769 KXFFLJNLIOPALN-PUAOIOHZSA-N 413.521 5.444 30 40 HKEB CC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 33528513 BEXKQOWZUFGRAE-UHFFFAOYSA-N 406.327 5.929 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c3ccccc3n2)cc1 58268847 VFABZSORHKJQLJ-OVVQPSECSA-N 409.537 5.897 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 59463573 UFNCUYAVIPJMDB-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO 95827208 WYRIQSJBDPBLDQ-UHFFFAOYSA-O 413.711 5.823 30 40 HKEB CCCCCCCCOc1ccc(-c2nccc(/C=C(/C(C)=O)C(=O)OC)n2)cc1 100168011 FWVMZFRKMSMTKR-XLNRJJMWSA-N 410.514 5.028 30 40 HKEB O/N=C1/CCCc2cnc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)nc21 100467917 AQAVOAVBPYQIIX-USHMODERSA-N 413.399 5.256 30 40 HKEB CCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC 104329518 RMUFSIOWRKEIPW-UHFFFAOYSA-N 413.599 5.079 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 408592672 NIUAVIGIXVXYSQ-AFUMVMLFSA-N 421.294 5.450 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408760475 ZDNXJYYQDRJYPQ-YUMHPJSZSA-N 401.941 6.906 30 40 HKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 408960036 IGSLBIJKPAKQCO-OUUDUQSLSA-N 416.550 5.167 30 40 HKEB Cc1cccc(COc2ccccc2/C=N/n2c(S)nnc2-c2ccccc2)c1 409060916 AGWIRXFOUUNJJF-BUVRLJJBSA-N 400.507 5.003 30 40 HKEB O=C(O)c1ccc(N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 409177217 DSPGZRCAQBJXFV-JFLMPSFJSA-N 414.436 5.702 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)cc2)c1 409242719 XYARQNUXOLZOKI-JZCUADNKSA-N 421.449 5.099 30 40 HKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387334 VQROYGSEUSQXDL-VULFUBBASA-N 420.578 6.607 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 4048027 GNLNGRQQSUMEQL-AUEPDCJTSA-N 417.252 5.322 30 40 HKEB CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C#N)c1NC(=O)c1ccccc1Cl 4060158 URLSOUOSMQNBMG-UHFFFAOYSA-N 413.308 5.736 30 40 HKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(O)c1 4663588 KOVIFJGNKBCYKV-AEIQVQRHSA-N 409.599 6.073 30 40 HKEB C/C(=N\n1c(-c2ccccc2F)cs/c1=N\Cc1ccccc1)c1ccncc1 6317251 LGVGFFAEOIGQRX-ZUALRNRESA-N 402.498 5.124 30 40 HKEB N=C(/N=C(\O)[C@H](Sc1ccccc1)c1ccccc1)Nc1nc2ccccc2o1 6898926 BUXBZRVLPIWOPU-LJQANCHMSA-N 402.479 5.665 30 40 HKEB CC(C)(C)c1ccccc1/N=C(\O)CSc1nc2ncc(Br)cc2[nH]1 9291962 XFOYFLQAQBQPNW-UHFFFAOYSA-N 419.348 5.398 30 40 HKEB CC(C)(C)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12464787 PADTVFHGIZZMAR-BRPDVVIDSA-N 409.577 5.706 30 40 HKEB CCc1ccc(S(=O)(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 14086075 SFOYYYAZFZOZEI-NRFANRHFSA-N 410.926 5.359 30 40 HKEB CN(C/C=C/C#CC(C)(C)COC(=O)c1ccccc1)Cc1cccc2ccccc12 22061240 UFFQRPQADAVBGR-VZUCSPMQSA-N 411.545 5.714 30 40 HKEB in-vitro C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22111077 NJNNPZIRXJDSDP-UHFFFAOYSA-N 424.719 5.010 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=C(c1ccccc1)c1ccccc1 26779846 CRIHWQWTGONCLQ-UHFFFAOYSA-N 415.327 5.691 30 40 HKEB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 66091510 BMTZRNJEZVRQHM-XMMPIXPASA-N 414.549 5.546 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2nc3ccc(C)cc3s2)o1 80340417 RBTAWKZBFALABZ-NHDPSOOVSA-N 408.439 5.228 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 104079162 KHBPIIADKLVSJS-NHFXJNLRSA-N 424.283 5.620 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198149657 GERDYYBLERCTCW-WGOQTCKBSA-N 409.961 5.559 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777929 XFRXFQXXVUBDGD-MRXNPFEDSA-N 412.917 5.076 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1 408906052 GXLTUGFQNQNPFE-LBHLTJTCSA-N 414.530 6.060 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408932261 VEZUFOCZUIOSAU-MXAYSNPKSA-N 415.371 5.639 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409215792 AWQULDXSSDZIED-CVKSISIWSA-N 422.912 5.815 30 40 HKEB C[C@@H](CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(=O)O 1529050381 PSXQJZDFWDKBIP-OEGKWJQDSA-N 414.630 6.662 30 40 HKEB COc1ccc2nc(C)cc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c2c1 915657 FCDASUHOZSGXRE-UHFFFAOYSA-N 423.563 5.095 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2183047 SYEZQWMYTYBCLE-UHFFFAOYSA-N 412.624 6.389 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2433521 YVLZXMMVLTYERP-UHFFFAOYSA-N 406.898 5.404 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 3880183 FYSVTOIULMTRSN-SMIHKQSGSA-N 421.525 5.341 30 40 HKEB CC(C)N1C[C@H](COc2cccc3ccccc23)S/C1=N\CCc1ccccc1 6590331 XXEDLNATCCNUOB-FPEJUQHSSA-N 404.579 5.643 30 40 HKEB N#Cc1ccccc1CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 7778391 NAQRAUKBFDFZIP-UHFFFAOYSA-N 416.937 5.811 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 10214570 BMRCRGKGCHEGQI-UHFFFAOYSA-N 413.527 6.085 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 26442286 YNLVCZZMGSVGTD-UHFFFAOYSA-N 400.297 5.868 30 40 HKEB CCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCC)cn2)cc1 97949652 MMXMTUYHAUNSCJ-UHFFFAOYSA-N 421.713 9.725 30 40 HKEB CCCCCCCCCCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21 97985321 ZYEYBOFFVKKXEY-UHFFFAOYSA-N 408.586 7.251 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 100166421 BSNDSTRKUHNTRL-STZFKDTASA-N 420.593 7.752 30 40 HKEB CCN(CC)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 100189301 JMZUFXAZQGHBHX-TWKHWXDSSA-N 419.528 7.082 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc21 223474565 ZEXMPQFLTSIALO-OVVQPSECSA-N 403.570 5.684 30 40 HKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OC 408544131 UYLDPXHZSBAKGI-LTGZKZEYSA-N 410.539 5.546 30 40 HKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(F)cc1 408737444 ATKQPNSEMMXSMY-WSDLNYQXSA-N 418.253 5.588 30 40 HKEB Cc1c(/N=C2\S/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)N2C)cccc1C(=O)O 408942157 WNPPXBKULLZREM-ZZSQQICMSA-N 408.523 5.225 30 40 HKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl 409104545 FRIWWZZAZCRFLE-LSHDLFTRSA-N 404.257 5.150 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409201328 LOKKMUJKRABBME-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB O=C1CCCC2=C1O[C@](CC(=O)c1ccccc1)(c1ccccc1)C=C2c1ccccc1 3126337 AYRSKISQYSGZHT-GDLZYMKVSA-N 420.508 6.276 30 40 HKEB O=C(Nc1cc(SC(F)(F)F)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F 3257464 BPBAEQWKBLUSRM-UHFFFAOYSA-N 421.696 5.900 30 40 HKEB Cc1ccc(-c2nc(SCc3ccccc3)nc(NC3CCCCC3)c2C#N)cc1 4042144 GITQXLDQMIIQOQ-UHFFFAOYSA-N 414.578 6.361 30 40 HKEB Cc1ccc(C(=O)/C=C\c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 4567170 XWJAMQNDCPTXIN-ZROIWOOFSA-N 420.530 5.584 30 40 HKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1cccc2ccccc12 4943609 ONCOXPDMPCGOCZ-UHFFFAOYSA-N 417.896 5.301 30 40 HKEB Clc1ccc(OCCCn2cccc2/C=N/Nc2nc3ccccc3s2)cc1 5046875 YWWMWGYCXRUUJP-HZHRSRAPSA-N 410.930 5.666 30 40 HKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 6783625 GTTCYPNRLFPECI-AAOIWRJWSA-N 415.618 6.006 30 40 HKEB biogenic Sc1nnc(Cc2cccc3ccccc23)n1/N=C/c1ccc(-c2ccccc2)cc1 12565565 DYHUGWDCITXGDI-OVVQPSECSA-N 420.541 5.860 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c1OC 13758299 TWZJIMYKSLFHNG-UUYOSTAYSA-N 406.409 5.038 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1C 17082146 IFHMQQVQHQUZLT-SMSCYPBYSA-N 401.329 5.300 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 18200323 URWFQVBZRBJGHX-HXUWFJFHSA-N 403.400 5.287 30 40 HKEB C/C(=N\c1ccc(/N=N\c2ccccc2C)c(C)c1C)c1cc2ccccc2oc1=O 68601607 MYZPFEWCCKCSOS-VMLSEYSDSA-N 409.489 7.274 30 40 HKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3ccccc3C)c(Cl)c2s1 72229004 KYHOPGWVRZFMBU-MYKKPKGFSA-N 421.353 6.362 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1 100322788 BUSCTVFLVZSEQK-LBMUFILHSA-N 416.502 5.512 30 40 HKEB O=C(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1 100477216 XZOPBDDXLRWNAI-DHRITJCHSA-N 414.339 5.583 30 40 HKEB CCCCCCCCCCCCCCCCCCCC(=O)COS(C)(=O)=O 104157976 KZYZITBQWLTSFM-UHFFFAOYSA-N 404.657 6.573 30 40 HKEB CCOc1cc(C#N)cc(Br)c1OCc1cccc(Br)c1 226326009 OZWRJFHMYHCMHW-UHFFFAOYSA-N 411.093 5.061 30 40 HKEB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253528846 GQZPOAUVKZAMQR-OKYCHAGGSA-N 406.610 7.081 30 40 HKEB Cc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc(Br)cc1 408738719 NDGXWTHPIZASIS-SSDVNMTOSA-N 413.271 5.011 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 408862417 YPCWJGVXBHHBBA-JQOGPOMBSA-N 415.562 6.351 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408915655 ZFIQPIPYMAOLCB-OQNHBUHUSA-N 416.546 6.171 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 408960319 DUDLPSGHQMVCQY-OEAKJJBVSA-N 415.562 5.911 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c1OC(C)C 409017869 VZWNBZIMRPKZKG-NNEFMJQDSA-N 410.539 5.333 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Br)c(Cl)c1 409098975 NBWRZIROXHCFPK-WSDLNYQXSA-N 423.738 5.471 30 40 HKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=C/C=C/c3ccccc3)cc12 409277986 CEHDHXVLMZHKHQ-NANCSBCPSA-N 421.456 5.366 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1 409323103 NFRAFMVZLDPHOJ-UHFFFAOYSA-N 418.722 5.037 30 40 HKEB O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccccc2)cc1 3112409 CICASOKQZHYATO-GORFKQKZSA-N 406.279 5.819 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@@H]2c1ccc(F)cc1 4023225 XZPGAROSGKQXQY-GSUJIKEXSA-N 424.487 5.738 30 40 HKEB biogenic Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 4651588 QQBKZPLGKBYNRX-OOAPJIEGSA-N 404.558 5.074 30 40 HKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 4747112 ZMLXIXDRYDDRAR-NIYFSFCBSA-N 415.533 6.794 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3)nc2c1 8196562 BYZGKOBNDWWMOC-PVLQNKMRSA-N 415.449 6.373 30 40 HKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1 12462886 ALAFVUSJUZVYLH-BNUIPMERSA-N 402.494 6.251 30 40 HKEB COc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c(OC)c1OC 12792054 QYHVNAIWIPEZAE-QPJJXVBHSA-N 417.255 5.117 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(N(C)C)cc2)cc1 18196858 KZIZXEBBYOQWNP-DEOSSOPVSA-N 412.537 5.120 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1cccnc1 33027082 FKMDBCSSSCWHJI-UHFFFAOYSA-N 422.444 5.546 30 40 HKEB CCCCCCCCCCCCCCCCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 71333929 LQOYKQHSYJNBKA-WAPCQROESA-N 419.650 6.410 30 40 HKEB CCCCCCCOc1ccc(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)cc1 103016843 QYGBYLHMMYZTAF-LGUFXXKBSA-N 402.542 6.247 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C 253505101 PRYIJAGAEJZDBO-BPQLKKAXSA-N 402.663 6.600 30 40 HKEB biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(C#Cc4ccccc4)=CC[C@H]32)C1 253612222 CKXFHIVEFDOLKD-CFBOULBPSA-N 416.605 6.549 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260735420 ICKRUUPECYXGKK-RBUKOAKNSA-N 409.599 5.535 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(F)cc3Br)o2)c1 408590220 GVFBULGOHRDKAB-UFFVCSGVSA-N 419.206 5.307 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 408741600 KDXMUMLGZQYKGH-VULFUBBASA-N 417.534 5.443 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)c1C 408854487 GORSRIKUJNVDEU-MIXAMLLLSA-N 409.577 7.123 30 40 HKEB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 409015051 RNJWVXRTASRUED-XOLKAKTPSA-N 422.481 5.336 30 40 HKEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409098485 QLJYOTCAKHIKDZ-DHDCSXOGSA-N 424.216 5.525 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1 409370397 QEUOUMFKLFHYDN-QFEZKATASA-N 408.885 5.217 30 40 HKEB O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)cc1Cl 1384872 HDQMNBYDRHAEFT-SSDVNMTOSA-N 416.289 5.561 30 40 HKEB N#Cc1ccc(-c2c(-c3ccc(O)cc3)c3cc(Cl)cc(Cl)c3oc2=O)cc1 2573865 LKOBEHSKMUMIEE-UHFFFAOYSA-N 408.240 6.011 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 4599361 UFHFPYQOSRXJRK-RGVLZGJSSA-N 404.422 5.194 30 40 HKEB O=C(C[C@H](C/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 4729105 ZTUCKENGEWCXHS-AQDNNVBGSA-N 418.540 6.950 30 40 HKEB CCO/C=N/c1c(C(=O)OCC)sc2nc(CC(C)C)c3c(c12)CC(C)(C)OC3 4785646 VHUWKEDBRXWPBJ-FSJBWODESA-N 418.559 5.219 30 40 HKEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 9481867 KNLRFWTXBXOGPU-SSOJOUAXSA-N 418.899 6.459 30 40 HKEB O=C1/C(=C/c2ccccc2F)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 11869329 XTYGFJJNJZZZBF-FBHDLOMBSA-N 415.247 6.328 30 40 HKEB C=CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 12851141 FSROJQBPPWTBBC-UHFFFAOYSA-N 423.929 5.051 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 16249737 YPFLGGBUKXSHGM-YSMPRRRNSA-N 413.546 6.420 30 40 HKEB Cc1nc2ccccc2nc1-c1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N 16265548 KTGJUGFUBCQKIC-UHFFFAOYSA-N 404.882 5.005 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 17093811 FIYQRLRFJQOLHR-SECBINFHSA-N 424.378 5.178 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C 17173115 PPBLYMALQBCVFW-BOSJGRNASA-N 402.619 6.518 30 40 HKEB COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccc(Oc2ccccc2)cc1 17207047 WLROKLJGDRJDQD-WNAAXNPUSA-N 401.462 5.693 30 40 HKEB O=C(O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl 59679098 QKSOVHXPZSIMTP-SRZZPIQSSA-N 403.663 5.342 30 40 HKEB CCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCC 95619154 CPGCVOVWHCWVTP-GDLZYMKVSA-N 424.798 10.530 30 40 HKEB endogenous,in-man CCN(CC)/C(=N/c1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl 104235687 MGFLDRXGSOZYQB-ZHZULCJRSA-N 415.173 5.406 30 40 HKEB C=C(C)COc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 219785124 QAHGADKNRODKDY-UHFFFAOYSA-N 401.550 6.362 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 408668916 FYNRMSNRLUGLJQ-UHFFFAOYSA-N 400.607 6.418 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1 408692066 CRCRMUYBTNGMJG-NTCAYCPXSA-N 401.506 5.864 30 40 HKEB COc1ccc2c(c1)OCc1sc(/N=C/c3c4ccccc4cc4ccccc34)nc1-2 408722810 NJJVGGDUYSBFND-MZJWZYIUSA-N 422.509 6.768 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 408803349 NVDBXZVUUGKJHN-USHMODERSA-N 422.484 6.247 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 409065481 ISLRNGKSBKRDRS-NLRVBDNBSA-N 402.494 5.383 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F 409074092 XULKUTNZCQFAAE-LUOAPIJWSA-N 419.378 5.273 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c(C)c1 409202292 QVHRWEZQPBSDEJ-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 409245549 VQSRSFAMSRHQOJ-NLRVBDNBSA-N 402.494 5.383 30 40 HKEB O=C(c1cc(Br)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242850 LEURBKGGDRBADX-UHFFFAOYSA-N 409.067 5.162 30 40 HKEB Oc1c(F)cccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 1434405 YBISZQDHJIYGKZ-FOKLQQMPSA-N 411.230 5.853 30 40 HKEB Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)s4)cc3)cc2)s1 2132987 BQCYJCQRCZMLGJ-RYQLWAFASA-N 400.572 7.595 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 2324769 YQUPKFFMVYWKGH-LIQAOFCOSA-N 422.598 5.085 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 2331027 JDNUEOWPQRBVJU-MNWLEOAJSA-N 417.534 5.093 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1csc(-c2ccccc2)n1 2350704 DQYKHTWUDQXBAQ-DNQXCXABSA-N 413.498 5.712 30 40 HKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/N=C/c3cc([N+](=O)[O-])ccc3O)CC[C@@H]12 4083700 JCAPIYBZNRMVCD-KOSPAXBRSA-N 424.585 6.521 30 40 HKEB biogenic Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(C)cc3)C2=O)cc1 4666799 VYYVCUMYZXCGFC-UHFFFAOYSA-N 412.532 7.408 30 40 HKEB CC1(C)C/C(=N\N(Cc2ccccc2)c2ccccc2)c2cnn(-c3ccccc3)c2C1 4769716 HQDNSMSENJSOHY-URGPHPNLSA-N 420.560 6.256 30 40 HKEB N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(-c2ccccc2)n1 7884401 XMNYVNWABFSCDX-VWLOTQADSA-N 419.488 5.235 30 40 HKEB Cc1nc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c(C#N)c(C)c1C 8190701 BEAUKIKATGZDMF-UHFFFAOYSA-N 417.494 5.184 30 40 HKEB CCn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c(C)n1 13470736 GSVVJZATHITTBT-AXQRCUKISA-N 404.558 5.248 30 40 HKEB CC(C)(C)C(/C=C/c1ccc(Cl)cc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33702755 YCMTVQSRPRHKHH-JKTNXHDXSA-N 402.838 5.684 30 40 HKEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1 46084885 CCFLMCWVNMBNEJ-NKFKGCMQSA-N 407.297 5.288 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 59194467 PGMUDGNMVDHCAA-ZVHZXABRSA-N 417.490 5.279 30 40 HKEB Cc1oc(/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C 100982570 NHGCCGBGBUBAHN-UVHMKAGCSA-N 401.897 6.484 30 40 HKEB CCN(CC)CCOc1ccc(/C=N\c2ccc3c4ccccc4n(CC)c3c2)cc1 104201774 XRDAWQNISPXEJX-RRAHZORUSA-N 413.565 6.286 30 40 HKEB C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 253389227 BJWJSOYJPSJWKC-YSMWTDBXSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro Cc1ccc(Sc2oc(/C=N\c3ccc(Cl)cc3O)cc2Br)cc1 408915784 YMBXGOKSACEZGT-FBHDLOMBSA-N 422.731 6.611 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 409067735 ZFBYWHKDJSBKKO-BUVRLJJBSA-N 419.506 5.959 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1Cl 409119476 SLLOFRFIYZZUBI-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC(C)C 409209068 FPRWOGPPOYBTRL-UXTWZOPHSA-N 424.994 5.615 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409219857 VRGCEPZCXOVKLF-BRJLIKDPSA-N 404.268 6.471 30 40 HKEB Cc1ccc(C(=O)C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)cc1C 3211406 WHWYRHZYTSLJBN-UHFFFAOYSA-N 401.452 5.174 30 40 HKEB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(C#N)cc3)c2c1C 3445903 PAEXSGKKBGYHFB-UHFFFAOYSA-N 416.531 5.583 30 40 HKEB C/C(=N\N=c1/sc2ccccc2n1C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4688459 XWFPSZDAYKKRHS-RMXOYLDRSA-N 409.599 5.865 30 40 HKEB CCCc1sc(N/N=C/c2ccccc2)nc1-c1ccc(Br)cc1 4893262 XKBLGRRHFHFRCF-FYJGNVAPSA-N 400.345 5.971 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(F)cc1)OCO4 5345591 OOTWDQVISWAPCK-IBGZPJMESA-N 417.480 5.194 30 40 HKEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 5551611 ZTECZNUEXKMPMP-SXGWCWSVSA-N 410.848 5.813 30 40 HKEB Cc1nn(-c2ccccc2)c2c1/C(=N/OC(=O)c1ccccc1Cl)CC(C)(C)C2 7156895 ILWLAYDSQRBYQL-LGUFXXKBSA-N 407.901 5.368 30 40 HKEB Cc1onc(-c2ccccc2)c1C(=O)[C@@H](C#N)c1nc(-c2ccc(F)cc2)cs1 7736548 GJPKRZOUXJMZBD-QGZVFWFLSA-N 403.438 5.403 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 9353331 WEFXEAZNHPRZQZ-UHFFFAOYSA-N 414.515 5.480 30 40 HKEB COC(=O)/C(=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1)C(C)=O 32619751 XPZRRMJKWOFJNV-KQWNVCNZSA-N 412.485 5.638 30 40 HKEB Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)c1 32816965 AKXSFNIQSHFKFB-OAQYLSRUSA-N 418.928 5.565 30 40 HKEB Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 36278154 SMJMPOBFWLRDEO-GFCCVEGCSA-N 405.357 5.022 30 40 HKEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2)C(=O)C1 100004679 FYWRTRIQWSJIJX-IBGZPJMESA-N 402.918 5.199 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/NCCC1=CCCCC1)C(=O)c1ccccc1-2 100289905 FHRWQYPSTUXUNP-HKWRFOASSA-N 405.494 5.449 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 225751782 GWZCGIBVLINJQK-INIZCTEOSA-N 400.544 5.096 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408588018 AZMMGKGJGQANLY-LGJNPRDNSA-N 411.288 5.995 30 40 HKEB N#Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408983388 BMYZCXGMJNJQFN-XDHOZWIPSA-N 417.295 6.336 30 40 HKEB COc1cccc(/C=N\Nc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1 409092050 SNFPYQPPMXHLJZ-CFRMEGHHSA-N 423.925 5.983 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 409208468 GCUXBDBYTZGRLS-CVKSISIWSA-N 422.912 5.815 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409211005 LPSMHBMKYHYNOQ-MFKUBSTISA-N 408.885 5.507 30 40 HKEB CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 780212 VZHLMZHLKGXEND-UHFFFAOYSA-N 407.554 5.401 30 40 HKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 1077633 PIKQHZQHWDYWOE-KMRXNPHXSA-N 424.544 6.373 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c(OC)c1 2101980 SCJUIEXACUZBKS-KSEXSDGBSA-N 422.864 5.552 30 40 HKEB biogenic C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2cccc(Cl)c2)S1 2217405 ADXKJVFEBHGUQE-YYPWLFCJSA-N 414.745 6.304 30 40 HKEB Clc1ccc(/C=C/C=N/c2cccc(-c3nc4ccccc4s3)c2)c(Cl)c1 2756837 JNNRKGNCRYRXHH-MLZQUUFASA-N 409.341 7.686 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 3113760 LIJOWLOEWRWNSF-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1 3128375 FQCADPXVUFMBDG-UHFFFAOYSA-N 408.301 6.450 30 40 HKEB CC[C@H](C)CN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 4664471 ZKXIBAPBUKLSKR-NPWQOOMGSA-N 409.511 5.553 30 40 HKEB CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 4993236 VJEHNGRJRSDSME-XMMPIXPASA-N 400.522 5.164 30 40 HKEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 5393140 PRIYUFNTLDCFAH-RUZDIDTESA-N 418.537 5.638 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2ccccc21 9423552 ABCBVGGXJLWOPC-FYJGNVAPSA-N 403.478 5.537 30 40 HKEB CC[C@@H](C)SC1=Nc2ccccc2/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 13396780 NAWBRGGDNDMJDL-GOZCUUMYSA-N 412.773 7.038 30 40 HKEB Cc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 32984249 XGDGJXPZBLEGGR-UHFFFAOYSA-N 403.503 5.262 30 40 HKEB CCCCN(CCCC)Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 40544765 PTXXYIJFSNOHPS-BUVRLJJBSA-N 417.937 6.107 30 40 HKEB CC/N=C1\S/C(=C\c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C(=O)N1CC 59104393 VOGFYIBAAPAIQZ-ATOAYSOUSA-N 410.967 5.228 30 40 HKEB CCCCCCCC[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)OC 59268483 NPJNZIRWRSZQBF-QHCPKHFHSA-N 422.521 6.131 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)c2C)cc1 83309875 OWJDKWSBBDWALX-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/Cc1ccccc1 100499533 JPPYAWVVOBFQQG-ZCGWOIPMSA-N 407.564 5.105 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1cccc2ccccc12 100811433 SSGFJPXUOWTRHW-ZNTNEXAZSA-N 421.363 6.551 30 40 HKEB CCCCCCCCCCCCSC(=S)N(CCC(=O)O)CCC(=O)O 100934596 ZIYNNDQWPNJCSS-UHFFFAOYSA-N 405.626 5.177 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1ccccc1Cl 223667414 QDCLYBZNCPZGCP-UHFFFAOYSA-N 416.937 5.620 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc4ccccc34)c3ccccc32)c1 408541476 CUPIKKFVUIRVIN-STBIYBPSSA-N 418.496 6.380 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408737348 CGRDBSSDZAFYEO-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccccc1 409202443 QRYMOFOOXCDJDE-JJIBRWJFSA-N 409.507 5.166 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 409207923 CPWMLVLFVBTVTB-HKNSOBRKSA-N 401.919 6.083 30 40 HKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 409208828 DPHPSTRYJIKASL-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2268992 OBJDAFVKDMMZNH-UHFFFAOYSA-N 403.576 6.454 30 40 HKEB CCOc1ccccc1OCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 3359503 YPKDVXRHSDSCCH-UHFFFAOYSA-N 401.462 5.389 30 40 HKEB Cc1ccc([C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2cccs2)cc1 8704807 FOJHMIYKYWTYQQ-JOCHJYFZSA-N 421.591 5.246 30 40 HKEB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4sccc4C#N)c23)cc1 9643179 VCZFUISHXXESRK-UHFFFAOYSA-N 422.560 5.331 30 40 HKEB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)c1 10119010 CDUUUDAGOFCUJF-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB CC1CCN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)CC1 13831733 DHSWCUJYDBTCMZ-UHFFFAOYSA-N 407.901 5.682 30 40 HKEB Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)c(C)c1 26963405 BGGRGNJWEGVYIA-UHFFFAOYSA-N 412.533 5.806 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O 27549395 FCKJYANJHNLEEP-XPBODTRISA-N 416.646 5.705 30 40 HKEB CCCCCOc1ccccc1CN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46085127 FCQVGNNWXXTVEV-FVDSYPCUSA-N 413.521 5.619 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1OC 59402629 IZWMNBKOEIGIHV-AUQWLOBBSA-N 424.544 6.671 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)o2)cc1 59418037 CRNANMHWDSEXQS-XSFVSMFZSA-N 418.474 5.015 30 40 HKEB Cc1cc(C)cc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)c1 59475478 XQRNZIOQVFGHBS-UHFFFAOYSA-N 423.328 5.854 30 40 HKEB N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@H]1/C=C/c1cccs1 97085021 OVBSZYZGISJOHW-JWHUVLAVSA-N 421.566 5.213 30 40 HKEB C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2nc3ccccc3[nH]2)o1 103756823 JKBLLWPMCPUSPG-AFUMVMLFSA-N 409.470 6.957 30 40 HKEB N#CCc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225344899 PRZJQUSDUZRPJQ-UHFFFAOYSA-N 410.395 5.279 30 40 HKEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408914579 OFYBEQIQYXEHMW-PGBYLALNSA-N 408.523 5.042 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408933253 AAENSMSGFAINAV-CVKSISIWSA-N 423.944 6.043 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(F)cc3)sc1C2 409046803 MJSUQLSCDCZQCR-ZVBGSRNCSA-N 403.276 5.375 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc(Cl)cc1 1079614 YVVZILFNELWVGQ-INIZCTEOSA-N 415.867 5.782 30 40 HKEB C=CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1ccc(OCC)cc1 1994163 XJPJDVYJOHPBKU-UHFFFAOYSA-O 416.364 5.793 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(C)c1 2453344 SMVGZSHFTFSLMB-GOSISDBHSA-N 420.582 5.684 30 40 HKEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 4701611 YTBYEPFFWXYNCN-CPPNXCSESA-N 400.887 5.192 30 40 HKEB CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1 4973621 FCEOJGNHUSQXCN-AFMDSPMNSA-N 411.505 5.460 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4993292 SUGMSQBVEAAAQH-XMMPIXPASA-N 414.549 5.546 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C)cc1 5478262 KNUDJOGZGRYSRS-UHFFFAOYSA-N 406.555 5.294 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 6399142 PTWZGVXKEQFRBH-MWVLFHSGSA-N 415.581 5.789 30 40 HKEB Cc1cc(C(F)(F)F)c(C#N)c(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 21514968 SXGCBNAODQUENY-UHFFFAOYSA-N 404.413 5.296 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl 98005215 JSADBUDDQVQWFU-UHFFFAOYSA-N 413.857 8.287 30 40 HKEB Cc1ccc(N/C=C/C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 100142938 BYTNTZJBOMQLQA-OUKQBFOZSA-N 412.316 6.689 30 40 HKEB CCCCCCCCCCCCCCCc1ccc(OCc2ccccc2N)cc1 100889909 FAIGDKUFHXLADN-UHFFFAOYSA-N 409.658 8.482 30 40 HKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224989093 FPXGIMPYBXIDDK-UHFFFAOYSA-N 421.893 5.462 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408692414 LZBLAWFKOILIEW-ACCUITESSA-N 420.339 7.201 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl 408813938 GCAUKHRGSMIGGX-WJDWOHSUSA-N 404.274 5.246 30 40 HKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1 408909293 GFRROTVAAXMGNS-UHFFFAOYSA-N 404.849 5.390 30 40 HKEB O=C1C(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)c2ccccc21 408913574 MALDPFKIDUUYEL-UHFFFAOYSA-N 414.200 5.624 30 40 HKEB Cc1cc(C)c(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)c(C)c1 409094069 CXEGYDZJSZWXAL-LUOAPIJWSA-N 400.448 5.879 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(F)cc1 409121471 XEODZTOPQKOLIV-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc4ccccc34)c2)OC1(C)C 2362803212 NYXNIWSIAVPALX-UHFFFAOYSA-N 408.310 5.263 30 40 HKEB CSc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 1068743 SSOAOYZQFXZWFY-HSZRJFAPSA-N 411.530 5.930 30 40 HKEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1 4273266 RFAJJPYFHXSMNK-UHFFFAOYSA-N 404.882 5.063 30 40 HKEB CC(C)c1cccc(C(C)C)c1/N=C(\NC#N)Nc1c(C(C)C)cccc1C(C)C 6910125 UYJYABJJLBRZRN-UHFFFAOYSA-N 404.602 7.350 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 9089443 VAXDFWSCAWAJOS-FQEVSTJZSA-N 407.828 5.262 30 40 HKEB CC(=O)Oc1ccc(-c2ccc(C(=O)c3c(C)c(CCC#N)n4ccccc34)cc2)cc1 9138195 QLBLPQVJSQAOLD-UHFFFAOYSA-N 422.484 5.527 30 40 HKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 13626659 ZOEXJVJDLATOPT-WSHPORRNSA-N 402.833 5.575 30 40 HKEB Cc1cc(C)c(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 59514435 QKGFQVNRJFVLEH-WGOQTCKBSA-N 423.524 5.730 30 40 HKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 97951691 IVFSVQZLUPZUCD-UHFFFAOYSA-N 408.999 6.909 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccc(Cl)cc3)sc3c2CCCC3)cc1 101183393 OKDMEVLEFXXOGF-AFUMVMLFSA-N 424.953 6.292 30 40 HKEB Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408729196 ALBAKJCSRRVVRZ-DFKUXCBWSA-N 412.536 7.870 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 409208874 CUMUPORHTBIAEO-WSDLNYQXSA-N 406.707 5.572 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 409229618 RXLDZSUFLRCEJS-ZXMQTSGQSA-N 420.893 5.120 30 40 HKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1c(Cl)cccc1Cl 2454360 XYMYDGHTOZQHCF-UHFFFAOYSA-N 420.365 5.951 30 40 HKEB Cc1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 4828185 QUKVGXRCISBREJ-QEUXCTTPSA-N 415.540 7.101 30 40 HKEB CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 6202885 FZYYTPUNKUFPMD-CVKSISIWSA-N 422.912 6.027 30 40 HKEB FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)o2)c1 8452940 GHFCHNVUBDHMHJ-OPEKNORGSA-N 422.370 5.231 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8885088 CVSICFDKBAGPAV-SGNDLWITSA-N 421.525 5.341 30 40 HKEB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CCC#N)c3ccccc3)cc12 12584381 QSIASJOWVMLOKJ-UHFFFAOYSA-N 420.925 5.609 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 13540121 XUTODODFEYBXRN-UOKWBDCBSA-N 414.432 5.728 30 40 HKEB CCO[C@H]1Oc2ccc(Br)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1 16687952 IUNYXQNTLCANRB-BXBOZWQASA-N 408.679 5.036 30 40 HKEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C(=N\c2ccccc2)N1c1ccccc1 17028398 AKWQBVINTNKAKX-DJOYVXLESA-N 417.446 5.109 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 18105834 CYVRRLJXBWTENM-DWXRJYCRSA-N 406.485 5.523 30 40 HKEB COc1ccc(/C=N\NC(=S)Nc2c(C)cccc2C)cc1OCc1ccccc1 33405821 RMRPFPRGZRUICT-MYYYXRDXSA-N 419.550 5.212 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 51366979 VRFQWUJFWUXMCH-DZRHBTRISA-N 409.555 5.028 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\N5CCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118928911 NGLYMHZNHRUNQT-WUCUUDGESA-N 411.586 5.040 30 40 HKEB C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)c2ccccc12 225935305 MCIJLCCLRTXGCZ-UHFFFAOYSA-N 421.540 6.739 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 408760791 GCLISFGGNVDYIR-MTDXEUNCSA-N 410.517 6.954 30 40 HKEB Cc1ccsc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 408992565 AMOLQJDYYLOYJJ-PZUCIDFCSA-N 404.560 5.729 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 409208320 APLRSSLFVDLBFG-CVKSISIWSA-N 403.478 5.730 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409215913 GJORFBKCVBXQLW-YDZHTSKRSA-N 421.409 5.671 30 40 HKEB Cc1cccn2c(=O)c(/C=N/[C@H](C)c3ccccc3)c(N[C@@H](C)c3ccccc3)nc12 4145263 SXHRDXKEEZZFIP-YMBZCIPESA-N 410.521 5.356 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4954231 LFVSLWUHJJBRPP-UKILVPOCSA-N 400.453 5.633 30 40 HKEB Cc1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c(C)c([N+](=O)[O-])c1 6796527 ZZBSAXUTMVZCGN-WYMPLXKRSA-N 405.479 6.034 30 40 HKEB N#Cc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br 8566700 RIDOUNFCWNFHFH-UHFFFAOYSA-N 407.267 5.005 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 13590284 WFIMRMKSSXICDO-GVAUOCQISA-N 419.459 5.110 30 40 HKEB Cc1cc(I)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 16269554 RPBAIPYZFCSATA-SSDVNMTOSA-N 413.258 5.308 30 40 HKEB Cc1ccc(C)c(NC(=S)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1 35292302 XGUHFXVVEWBIMA-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB COc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2C2CCCCC2)cc1 57223519 JSHYBQMTTZEUIT-YVADOFBFSA-N 410.514 5.771 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(F)cc1 408591263 JHNJLENRXMJQRB-JFLMPSFJSA-N 404.441 5.226 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)c(C)c1 408723792 NNWNVOXWTMRESC-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB CCOc1ccc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 408818967 ZLACKSAUCAADCF-RUZDIDTESA-N 403.909 6.565 30 40 HKEB CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 408860051 RITJHYHGNZMWMA-XKZIYDEJSA-N 420.509 5.905 30 40 HKEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)F 575243058 VZNJXWXXJBRIAD-UHFFFAOYSA-N 422.165 5.365 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3C)nc2c1 3043497 BGQNWBLJNQZIIX-RWPZCVJISA-N 406.485 7.029 30 40 HKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCCCC2)cc1 6946698 LTRBITYSPJJFAG-ZVHZXABRSA-N 410.776 6.863 30 40 HKEB C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 15216035 LRYZMDSDXSWBMU-MSOLQXFVSA-N 404.462 5.593 30 40 HKEB biogenic Cc1cc(-c2ccc(/C=N/Nc3ccc(Cl)c(C(=O)O)c3)o2)c([N+](=O)[O-])cc1C 16268042 ZJXDXLUHKIWODK-LSHDLFTRSA-N 413.817 5.269 30 40 HKEB C[C@H]1CCC[C@@H]1/C(=N/S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 17379963 NBQUCXZYAGHOST-KVLUZXKMSA-N 403.375 5.003 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1C(F)(F)F)OCO3 18197492 VDUCFTVUDLKXSL-FQEVSTJZSA-N 415.411 5.635 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1CC 59105063 ZQEOGAZDUDDCCC-JTUXUYRKSA-N 416.546 5.731 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 100091215 OFHCOWSQAMBJIW-GITLSTMWSA-N 400.647 6.590 30 40 HKEB in-vitro Oc1ccc(/C=N\N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 100841022 QPKMDOKMJJEBAF-KBLMCVRGSA-N 405.910 5.500 30 40 HKEB CCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 103728348 YSQYTTOKXSSBLQ-PTGBLXJZSA-N 402.560 5.047 30 40 HKEB CCCCCCOc1ccc(C=NN=Cc2ccc(OCCCCCC)cc2)cc1 299888394 HMWUYNPFJZLLSL-UHFFFAOYSA-N 408.586 7.058 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1 408596276 QWCMRPROTFFSIA-JFLMPSFJSA-N 420.896 5.740 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408851718 FKLCHWAIBABRRG-MRWPGVCLSA-N 420.578 6.268 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1C 408913351 QCSIPBQLDLKVMR-OQNHBUHUSA-N 420.578 6.249 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 409203894 YYAAEGRHNAOJAS-LQKURTRISA-N 415.920 7.140 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 409216595 JRTLTKUSJUNRRX-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 1499595 KHQLMQFJMVSJOB-YZSQISJMSA-N 406.913 5.224 30 40 HKEB COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 4597186 VRGKBONPABENNP-QHCPKHFHSA-N 422.525 5.248 30 40 HKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 5051955 XWRIRNOWANNYKN-HXUWFJFHSA-N 401.531 5.921 30 40 HKEB CCCCCCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 5297658 WHMJEQCXNHJCSX-BUVRLJJBSA-N 413.974 6.869 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(OC)c1 5478005 ZKDNTNLPDGZNJD-UHFFFAOYSA-N 416.344 5.195 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195141 FLLITUMEUKDHDB-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc1OC 12862663 XAFCIZQGFOSPAD-CFRMEGHHSA-N 402.446 5.207 30 40 HKEB biogenic N#Cc1ccccc1Sc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 13018059 KFGUGVRXENGLQP-UHFFFAOYSA-N 420.537 6.229 30 40 HKEB Cc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 13799694 LJBGJYXYOSLTAF-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl 20762749 FAMIPAVSOGVTDU-VULFUBBASA-N 415.320 5.705 30 40 HKEB CCOc1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1 58196716 BDYPMVBUVRMMCR-GHRIWEEISA-N 407.513 6.813 30 40 HKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 83293124 FFPQPZUYZCJVHO-OYKKKHCWSA-N 409.417 5.158 30 40 HKEB CCc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 98086897 XEPHZVOHPNMTLG-ZMOGYAJESA-N 405.841 6.369 30 40 HKEB Clc1ccc(Cn2c(/N=C/c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 102265967 NXGZPTCLULKMIF-BRJLIKDPSA-N 414.723 6.795 30 40 HKEB COc1ccc(/N=C\c2ccc(/C=N/c3ccc(OC)cc3OC)cc2)c(OC)c1 104192158 JWJYYPHJGMMNGX-WFOJNGAISA-N 404.466 5.222 30 40 HKEB Cc1cccc(COc2ccc3ccccc3c2C=C2C(=O)c3ccccc3C2=O)c1 408914460 PXTKAFBHWSBEIE-UHFFFAOYSA-N 404.465 6.190 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)S2)cc1 408960746 ILQCDCQCBXBAFF-CAOOACKPSA-N 412.312 5.130 30 40 HKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 409202021 QDZJWUWDZADJEB-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccccc1Cl 409370582 BGYUSEOTFMJIMM-DEDYPNTBSA-N 404.893 6.140 30 40 HKEB COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 409385983 PEEXJLIXBVXVLK-AUEPDCJTSA-N 403.793 5.109 30 40 HKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\C=C\c1ccccc1 1531186230 FEXYIAIQXUANDF-LZNIEJQKSA-N 410.315 5.004 30 40 HKEB C=C(C)Cn1c(SCCCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2254708 FLHSTFZNTFMWND-UHFFFAOYSA-N 422.638 6.527 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(OC)c1 2450395 WGQMBKOMQSSSII-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1C 5376572 GOADPSYYAXQZGL-UDWIEESQSA-N 408.910 6.108 30 40 HKEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 6542991 IOUQXDBQNZTUSM-DEDYPNTBSA-N 408.910 6.054 30 40 HKEB COc1ccc(C)cc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 12755346 QVDIEHRYJIDTGT-ZHACJKMWSA-N 420.534 5.658 30 40 HKEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197208 NRJOQVSVZQKCPU-DEOSSOPVSA-N 406.526 5.115 30 40 HKEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3F)s2)c(C(F)(F)F)c1 40110796 ULQGZNADADRREH-UHFFFAOYSA-N 423.366 5.155 30 40 HKEB OCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100045488 SMQWZVBJTNTJHH-UHFFFAOYSA-N 406.182 5.278 30 40 HKEB CCCCCCCC[P@@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1 100050746 SGZRFMMIONYDQU-MUUNZHRXSA-N 407.579 6.176 30 40 HKEB in-vitro CCCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 105294294 KLJNWYXHCKEMHP-HFZDXXHNSA-N 420.597 6.657 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O 408815920 VXLJZTQEBZWKGV-MFOYZWKCSA-N 407.322 5.592 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)ccc1Br 408915092 UPRQWKRFACNNBN-FOKLQQMPSA-N 411.299 5.644 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 408937664 JIBQOJPJQVOUNL-IASQXJLISA-N 418.540 6.584 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)S2)cc1 408955069 VVPJGIFWTUQKTH-RCCKNPSSSA-N 403.507 5.076 30 40 HKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409082423 SNDVOICCPKBYRY-CIRUFVMISA-N 408.567 6.095 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409100847 XBGAQDARGRPBBQ-ZMOGYAJESA-N 422.407 5.059 30 40 HKEB CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC 409200340 IBNLEGWFMOOXQX-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1O 409216507 IRHDNBCJEXJBBJ-OXVLKEGXSA-N 408.567 5.964 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)cc1 409218471 VLVYJZOVWYCBKO-VULFUBBASA-N 423.896 6.075 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2Cl)c1=O 3128325 NTLFKTVDVYSVOL-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCC3)cc1 4545788 JZKAOUAVKDTOPV-ZVHZXABRSA-N 408.523 5.930 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@H]2c1ccccc1 4575910 OQPDXRJRDALZIQ-NRFANRHFSA-N 416.550 5.229 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 5418852 MPQYDUZSPQMVHH-TURZUDJPSA-N 415.533 6.842 30 40 HKEB COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cccs1 6035850 YPVBWHMVGDADLO-UHFFFAOYSA-N 404.520 5.168 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1cc(Br)c(O)c(Br)c1 8377091 SEHHIEQLDWIEDF-UBKPWBPPSA-N 405.473 5.027 30 40 HKEB N#C[C@H](C(=O)CSc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1 12922391 LOTINLSRHGQRES-CQSZACIVSA-N 419.358 6.085 30 40 HKEB N#Cc1c(N)nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c1-c1ccccc1 25337037 IIPUFOXMGWKCPA-UHFFFAOYSA-N 420.497 5.202 30 40 HKEB O=C(/C=C\c1ccco1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 33906720 QREHRPYUBWNHDV-LUAWRHEFSA-N 420.262 5.447 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57227612 YLUNJTYPBNUSIK-ZTKZIYFRSA-N 421.544 5.618 30 40 HKEB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 59620901 HDAQHYKSPLYTEL-UHFFFAOYSA-N 416.243 6.387 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 408742199 NVBAELHAOXBWFV-MTDXEUNCSA-N 408.501 6.298 30 40 HKEB C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408819974 SFKIPRDPKZKBOX-HKWRFOASSA-N 407.491 5.229 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(F)cc1 408852155 IVUOJGCOJWDLCW-NDENLUEZSA-N 409.461 5.264 30 40 HKEB C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 408897508 NMVMFCRVGSBROM-UHFFFAOYSA-N 417.549 5.014 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1C 408912847 RQVVOAXGHGUIJL-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB Brc1cccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)c1 409012150 IZWQOZXLIIKUOA-KOEQRZSOSA-N 416.322 6.734 30 40 HKEB C#CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 409034337 QHTSPGDJOKLBOU-XSFVSMFZSA-N 421.422 5.240 30 40 HKEB COc1ccc2c(c1)Cc1sc(/N=C\c3c4ccccc4cc4ccccc34)nc1-2 409048608 SQWWOTSVHQNVJZ-DICXZTSXSA-N 406.510 6.780 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 409209834 JIMOHBYMQDDJQF-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl 409215467 ZJYHTNRDLFDDFT-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CCCCCCCCC1(CCCCCCCC)c2ccccc2Nc2ccccc21 1857793702 OXMCFPIMCLZNAI-UHFFFAOYSA-N 405.670 9.531 30 40 HKEB CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 853773 IUMIDXWISZLMOC-HSZRJFAPSA-N 424.585 5.088 30 40 HKEB COc1ccccc1/C=N/Nc1nc(C(F)(F)F)c(-c2ccc(Cl)cc2)s1 4410045 SRMMOEZZXUHWHI-AUEPDCJTSA-N 411.836 5.937 30 40 HKEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)(C)C 4425639 ADSXFPHNMCPJSW-QZGNXELUSA-N 415.618 6.052 30 40 HKEB biogenic Cc1ccc(OCCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)c1 4590703 OJVZQAHAMTXSEK-KOEQRZSOSA-N 419.481 5.506 30 40 HKEB COc1ccc2c(c1)c(/C=N/Nc1ccc(C(=O)O)cc1)c(C)n2Cc1ccccc1 5516371 XBCSIWMPJDUKRU-CVKSISIWSA-N 413.477 5.151 30 40 HKEB Brc1ccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 8456344 VYVDHAGUOZYNRY-LPYMAVHISA-N 420.270 5.007 30 40 HKEB Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3s2)n(C2CCCCC2)c1C 13131606 GIABLYCFYSVQCW-UHFFFAOYSA-N 424.595 5.822 30 40 HKEB CCOc1ccc(C(=O)/C(=C\C=C\c2ccccc2)c2nc3ccccc3s2)cc1 27025947 BTWLVHGQRLZILR-VNNYSTBCSA-N 411.526 6.675 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 36611821 JKKLUSGJEQWZSQ-IOOOOYSUSA-N 402.534 5.823 30 40 HKEB O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Br)cc1 55120943 NIKOPWGUCFOQIW-OUKQBFOZSA-N 408.339 5.641 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1O 59566877 CYWPXRWAOXHQNJ-YBEGLDIGSA-N 405.306 5.319 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 68568985 MUUDLDCCWSSDMA-BYYHNAKLSA-N 408.586 8.491 30 40 HKEB COc1cccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O 83295844 CMDIFHILGNCBOO-CFRMEGHHSA-N 404.857 5.110 30 40 HKEB CC(C)c1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100004297 ZOMSFOSRJXOPCQ-QFIPXVFZSA-N 410.554 5.669 30 40 HKEB CCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC 100509989 QBCOASQOMILNBN-UHFFFAOYSA-N 417.635 9.519 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCO 100925752 RMPCLSKWORIVCN-UHFFFAOYSA-N 402.684 5.570 30 40 HKEB C/C(=N\Cc1ccccc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 101156861 DJGLYYLLHZQXQV-YZSQISJMSA-N 424.529 5.452 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 102574837 OENPMZABHUKSMV-HOGKFDNTSA-N 407.510 5.006 30 40 HKEB C=C1C[C@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 123317189 OPLUXFIQJCETJD-IIKQOSCHSA-N 400.691 7.635 30 40 HKEB CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1cc(C)on1 215720753 HPVOQJOSLXLTCP-PLVXZXGYSA-N 414.918 5.291 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 247996061 AHSAQRLLZMVWMN-BMYUECDBSA-N 408.611 5.321 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408589621 FEAUWISQHYUKPG-VULFUBBASA-N 410.433 5.020 30 40 HKEB Cc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 409087587 IYYCBGNWMDOPIJ-QQXSKIMKSA-N 411.465 5.510 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccc(F)cc1 409285994 YIJSKIYQBTZJCB-UHFFFAOYSA-N 414.484 5.256 30 40 HKEB Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)cc12 3212824 GWBWSTGMVRFJJA-LJQANCHMSA-N 408.486 5.434 30 40 HKEB C=CCOc1cccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1 4660193 QPRZTWZITOBFAL-UHFFFAOYSA-N 406.529 7.011 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 5751302 VLWTZCAISCKMJP-HXUWFJFHSA-N 407.514 5.582 30 40 HKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 6167617 UPCQMQBWSIQPAJ-NTKDMRAZSA-N 408.567 5.358 30 40 HKEB COc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250967 NWUMCDAFPQHEOD-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB FC(F)(F)c1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 12375470 WGUMCRAUDFSVIH-RHANQZHGSA-N 421.466 5.427 30 40 HKEB O=C(/C(=C/c1cccc(Br)c1)c1nc2ccccc2s1)c1ccccc1 12559584 NTDJIYUWDWXTMP-JXAWBTAJSA-N 420.331 6.482 30 40 HKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@@H]1c1cccs1 20459093 XMQDLKBYPKWGHM-ZDXQCDESSA-N 407.498 5.158 30 40 HKEB Cc1cccc(C(=O)Oc2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2)c1 33908165 JQCDXIUBDVDRRX-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB CCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCC 104179227 FBVIPHHSIBKNAH-QURGRASLSA-N 424.666 7.691 30 40 HKEB CCn1c(N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)nc2ccccc21 408691977 AHNHDKQKDVPTBL-WPWMEQJKSA-N 407.521 6.063 30 40 HKEB CC(C)c1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 408740848 INQYEQMSRGGISZ-YVLHZVERSA-N 401.329 5.464 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408936607 GYGBIYQDTOJHIR-PUASABTGSA-N 410.517 6.281 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)cc1 408954244 SCPQMWIIWVRSSF-AQAUNXFGSA-N 417.534 5.337 30 40 HKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 409078578 ISKCJGIVZKDJFA-LNIIIOKPSA-N 420.578 6.803 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409107923 YEEMOUVPCBXCCN-CVKSISIWSA-N 412.449 5.476 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409203266 VCBRNEMKJCHADB-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409209957 HGKXWVBDTNPFSY-AXNZHVIBSA-N 424.610 6.709 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2C#N)C(=O)N1C(C)C 409217821 WZTQZCCUDLTCGE-MYVOUCEISA-N 419.550 5.226 30 40 HKEB O=C(c1ccccc1-c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242637 ASKLKLLNZWAIDS-UHFFFAOYSA-N 400.240 6.005 30 40 HKEB CC1(C)c2ccccc2N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccccc21 1875251758 ITBBSQIVFBCCRG-UHFFFAOYSA-N 411.354 6.095 30 40 HKEB CC(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780549 GDIPGVSOYXKLPI-YZSQISJMSA-N 412.562 6.243 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1 2284628 LZQSKBZFGXSWOV-JOCHJYFZSA-N 421.541 5.038 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 3032244 OREJDMZVZCUIOV-OPEKNORGSA-N 411.288 6.875 30 40 HKEB C=C(C)CSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 5555676 XPJINEYSLFHTDY-UHFFFAOYSA-N 400.573 5.013 30 40 HKEB CC[C@@]1(C)/C(=N/c2c(C)cccc2C)NC(=S)N1c1ccc(Cl)c(Cl)c1 6026780 SEOAXOFNMYKLOF-FQEVSTJZSA-N 406.382 6.204 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 8385942 LNRCGHMSUKJHHS-NBGIEHNGSA-N 406.570 6.267 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(C#N)cc1 10119091 VFUZHONOCHSUAU-LQKURTRISA-N 419.912 5.313 30 40 HKEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1 15018396 YNHWZLYRIDMLRC-HXNPFYCNSA-N 412.558 6.674 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)C(C)(C)N1c1ccc(Br)cc1 17186161 FNKAFBOUCSPCSC-PYCFMQQDSA-N 416.388 6.114 30 40 HKEB Cc1nn(-c2ccccc2)c2sc(C(=O)N=C(c3ccccc3)c3ccccc3)cc12 25514097 MEQYMRKCVHSFFL-UHFFFAOYSA-N 421.525 6.073 30 40 HKEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 30940731 UBOBRQCFQIRTCE-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB COc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O 59224279 LLAHALRAMGNSSW-NDENLUEZSA-N 408.910 5.702 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59303095 RCOPRCBGNHMHAA-BHGWPJFGSA-N 401.293 6.158 30 40 HKEB CCCCc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 59500988 JGKQSZOQVYWGGQ-QHCPKHFHSA-N 413.473 5.256 30 40 HKEB CCCCCCCCCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O 100310455 NFJACRZZBGGIGK-UHFFFAOYSA-N 403.994 6.807 30 40 HKEB CCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1OC 408984751 JUQWGVKPFZHTHO-LFVJCYFKSA-N 409.555 6.224 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl 409009354 DOWSQUBLQZWIIW-DKNZLLBESA-N 414.958 6.026 30 40 HKEB Oc1ccc(/N=N/c2ccccc2)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409046830 KUZLWWZMKGNRNH-KDCQASJNSA-N 408.277 5.522 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409212267 PGGIMMYGZBZRNM-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC 409214398 XGFRIAZXOMNNMA-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB Cc1cccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1C 409215886 GDHVXMCYQOXFPS-ZCTHSVRISA-N 415.536 7.939 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N/c1ccc(OC)cc1 409244002 WDLNJZKLLWATBO-IZSQXYTLSA-N 410.539 5.354 30 40 HKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 720742 JPPXPLUMOODMLS-CPJLOUKISA-N 416.546 6.126 30 40 HKEB CCCCCCCCOc1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1 1773680 NXMJCOLCLRRUAS-UHFFFAOYSA-N 422.319 5.394 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCc1ccccc1F 2217643 ZMRGHBVMINHJFL-UHFFFAOYSA-N 414.480 6.858 30 40 HKEB COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)cc1OC 2726296 NVYBNAMTMZHUFQ-UHFFFAOYSA-N 409.445 5.043 30 40 HKEB CC1(C)Cc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C#N)C(C)(C)N1 4275314 QRZQEKGMKNGHBT-UHFFFAOYSA-N 414.383 5.400 30 40 HKEB Cc1ccc(S(=O)(=O)/N=C(\Nc2cc(C(C)C)c(O)cc2C)c2ccccc2)cc1 6023539 KGIRUXBHSGTGSU-UHFFFAOYSA-N 422.550 5.380 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)S/C1=N/c1ccccc1 8451868 YZDKCTYQTFJEFG-HWWZFDGNSA-N 417.328 5.169 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1C 17950488 QUVLOSYKTLSXNZ-MYYYXRDXSA-N 410.583 5.757 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1 18322729 UKDJUSMNANOMFN-HFJWLAOPSA-N 412.489 5.590 30 40 HKEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 21722407 YOJVUJRGCGMGAD-XMMPIXPASA-N 402.538 5.794 30 40 HKEB COc1cc(CN(C(=O)Nc2ccc(Cl)c(C#N)c2)C2CC2)ccc1OC(F)F 40120214 ADTCVJDUSIBPFK-UHFFFAOYSA-N 421.831 5.018 30 40 HKEB CCCCCCCCC[C@H](CC)OC(=O)c1ccccc1NC(=O)c1ccccc1 98001372 YNGUYZBYUUZRMU-QFIPXVFZSA-N 409.570 7.015 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 98001628 RUCRANXFIYJBTG-JWQCQUIFSA-N 407.727 8.579 30 40 HKEB Fc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 100053626 KXBFNYPAGGCKTG-SCHRPIHLSA-N 417.465 5.008 30 40 HKEB Cc1ccc(C)c(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)c1 100132704 QOICTOVMHBWXPJ-OUKQBFOZSA-N 409.888 6.483 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 118929778 LGWMHNQKTCVZTP-HJECVKNHSA-N 421.537 5.481 30 40 HKEB CCCCCCCCCCCC[C@H](CCCCCCCCCC)Cc1ccsc1 169806310 WSIOQPZPWMYDPD-MHZLTWQESA-N 420.791 10.749 30 40 HKEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(Cl)c3)cc2)cc1 408806359 IWOYZKBKYLQQSA-QFEZKATASA-N 408.885 5.425 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)c1C 408872433 NIMYUMWEUCUXAX-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC 409115021 GNTUIXFBOAUJQT-UHFFFAOYSA-N 423.148 5.398 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409213450 VKJYARFGODECMQ-JVWAILMASA-N 416.521 5.779 30 40 HKEB C#CCn1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409386554 MSGDUVZQBUOVEJ-JFLMPSFJSA-N 405.413 6.010 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@@]3(C)C=Cc4ccccc4N23)cc1 1073767 QJAKOLXSGZDLJV-KTIWRFAQSA-N 409.533 5.548 30 40 HKEB C=CCc1ccccc1OCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 1253876 DPGIQYXAPPNCOK-UHFFFAOYSA-N 400.891 5.143 30 40 HKEB O=c1c2c3c(sc2ncn1/N=C/c1c2ccccc2cc2ccccc12)CCCC3 2679278 CFJNEKHGKTVELV-MZJWZYIUSA-N 409.514 5.525 30 40 HKEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 4628587 TUPWXDDHBMZTCX-UZLBHIALSA-N 410.583 5.957 30 40 HKEB COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccccc1)c1c(ccc3ccccc13)N2 4708007 ZBNIQBAZEURMGW-URXFXBBRSA-N 411.501 5.440 30 40 HKEB COc1ccccc1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 5052391 CTIKJEGHAWYEMW-AAIMPIBUSA-N 416.583 5.708 30 40 HKEB Clc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)c(Cl)c1 8811603 ZHNYKPUDVPMIPF-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1ccoc1C 9872561 IHLGHIMFCUORON-UHFFFAOYSA-N 408.296 5.226 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 17090391 NGRLILXZILMQSO-ZDUSSCGKSA-N 415.559 5.037 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc4cc(OC)ccc4c3)c12 23989299 CJVWGQOVDHEVND-GXDHUFHOSA-N 421.500 5.841 30 40 HKEB O=C1CN(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1 50097464 GKRLUHYJSCSELM-SIBVSACJSA-N 424.331 5.371 30 40 HKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 58851389 WIZJHSVTMZDZQL-TYILLQQXSA-N 405.712 6.376 30 40 HKEB CN(C)c1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2n1 95942846 NGUDNUPMNUZNKR-HNNXBMFYSA-N 406.898 5.054 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 100501560 GOHJFRTWBPGBMF-KMNHIJHVSA-N 403.825 6.472 30 40 HKEB O=C(Nc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl)c1ccco1 102417334 IPGGOYJORMRTQX-UFFVCSGVSA-N 404.209 5.498 30 40 HKEB Cc1ccc(/N=C2/NC3=C4C(=C[C@@]5(C)CC(C)(C)C[C@]4(C5)S2)CC(C)(C)C3)cc1 103750186 NYCJUKCQRIAGFM-IZZNHLLZSA-N 406.639 7.288 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)o1 408541974 ILLSMYYARSIOQF-AUEPDCJTSA-N 423.812 5.293 30 40 HKEB Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)c(C)n1-c1ccc(Br)cc1 408783560 MVRNWOVEXBEWJT-SRZZPIQSSA-N 414.259 5.221 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)C(=O)N2C)cc1 408846685 RLKOIIZGYJBRBV-KPWFMKORSA-N 408.567 6.181 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408937937 JZUKMPAEQXFGOQ-RGXUTEJNSA-N 406.529 6.829 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409208259 BOJAGVXINNTKCD-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CC(=O)c1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1 2270624 SUXRFOAQXDWBCE-JVWAILMASA-N 408.457 5.751 30 40 HKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4281978 CGVPXPQHTVZFKS-UKILVPOCSA-N 416.908 6.147 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCCCC3)cc1 4545791 XGDQXRMEBUHNHX-CVKSISIWSA-N 422.525 6.168 30 40 HKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 5218875 AJKLMPBUWYIKIH-UUYOSTAYSA-N 410.828 5.683 30 40 HKEB Cc1cccc([C@@H]2C3=C(Nc4nn(-c5ccccc5)c(O)c42)c2ccccc2C3=O)c1 6132001 DUBHLSOYHLJNJM-HXUWFJFHSA-N 405.457 5.051 30 40 HKEB C=CCN(CC=C)C(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 6315180 WDOTUYLXOUFCOG-UHFFFAOYSA-N 417.578 5.653 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1 8843108 ZOTCASUUCGTPRZ-JQAMDZJQSA-N 424.325 5.265 30 40 HKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1 9576939 FQLDBTYLAYXQED-NIHGSWJFSA-N 410.513 6.693 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 12484901 GMRQFYUYWCNGIN-UNVJKIGWSA-N 416.646 5.705 30 40 HKEB in-vivo C=CCN(C(=O)Cc1cccs1)c1nc(-c2ccc(OC)c3ccccc23)cs1 13028191 VBSBTGUJUGOFEA-UHFFFAOYSA-N 420.559 5.795 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccc(F)cc1 16730559 KYKAZIIDVPKCEN-UHFFFAOYSA-N 406.379 6.210 30 40 HKEB CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797190 FMNSEEBZGHVGLK-HSZRJFAPSA-N 405.498 5.102 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c2ccccc21 28182537 KBYMHNJAXCWWFR-WGARJPEWSA-N 409.485 6.165 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 102802226 ZXFWDYGEKMRZSZ-MRJHHRETSA-N 403.865 5.275 30 40 HKEB CCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530897 ZHLCQJIGPWWKTA-BUHFOSPRSA-N 414.396 8.322 30 40 HKEB CC(C)c1ccc2c(c1)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)N2C1CSC1 223729138 PHMNZFUUYWWGMV-CLCOLTQESA-N 420.365 5.395 30 40 HKEB C=CCOc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225369444 XWERLMMBOJNCAV-UHFFFAOYSA-N 410.967 5.264 30 40 HKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226341084 TUPLLTHTAPKYFZ-VOTSOKGWSA-N 423.665 5.010 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 408860718 CNZRCRHZUWJXIL-YVADOFBFSA-N 410.514 5.771 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C 408914977 OOIGYCWJPHVTBF-LISDSOCTSA-N 406.482 5.882 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408941729 PMUVESOKESNSIM-WVCVUWQZSA-N 404.513 6.276 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)S2)cc1 408949290 AMZZFYRCILQUMA-RCCKNPSSSA-N 403.507 5.076 30 40 HKEB C=CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408975306 ACZWOLKKLCMEDS-YZSQISJMSA-N 402.563 7.173 30 40 HKEB O=C(O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1Cl 409016813 JMFBBFJMKGFXRT-UFFVCSGVSA-N 408.331 6.655 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 409052517 ULPYNNYMYYUEJC-FXBPSFAMSA-N 400.843 5.114 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccccc2C)cc1Br 409109292 BALUIZMIJPDKGD-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1 409187528 ROGLBMORHRZJSO-KOEQRZSOSA-N 404.922 7.256 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC 409200615 IQHREQBKEXCTSZ-CIAFOILYSA-N 423.294 5.456 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC#N 409200639 ISPXAAMQZNKHKZ-VSWHYLHOSA-N 421.566 5.822 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1C 409328697 ZZSSCAIBPKTXPA-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 815824 SJOZXNWNNQBJCH-OWJWWREXSA-N 402.519 5.736 30 40 HKEB N#C[C@H](C(=O)O)[C@@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1632947 APSSOUIYMBILKM-BDYUSTAISA-N 401.465 6.502 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 1786477 GPLVVYIVNHCYTL-UHFFFAOYSA-N 414.621 5.602 30 40 HKEB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 4181668 DITRHTVVQVXPDB-FCLJUIRISA-N 409.489 6.480 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C\c3cccs3)sc3c2CCCCC3)cc1 4545792 BWIVJQAUPVOWQC-UCQKPKSFSA-N 410.564 6.090 30 40 HKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc(C(=O)O)cc3)cc2)cc1 5253230 NROGTONVSJQAHK-WGOQTCKBSA-N 416.477 5.348 30 40 HKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 6247575 OOHYRHLPWWNUDR-FOWTUZBSSA-N 408.457 6.412 30 40 HKEB Cc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)c1 7496088 PERMNJFEANQOML-RXFWQSSRSA-N 405.501 5.760 30 40 HKEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 8820925 QPOBVCWUBGGTEV-DEDYPNTBSA-N 424.909 5.890 30 40 HKEB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1-c1ccccc1C#N 9314430 PGDAXJALHBCEHM-UHFFFAOYSA-N 420.516 5.017 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C 15018316 BWCYCAUZXIJKDE-WMOWQXFYSA-N 400.503 5.812 30 40 HKEB CCc1cccc(CC)c1N/C(=N/C(=O)c1ccc(Br)cc1)SC 18095825 DRMFVKFSHNHWNJ-UHFFFAOYSA-N 405.361 5.545 30 40 HKEB CCc1ccc2nc(NCCCNC(=S)Nc3cc(C)ccc3C)c(C#N)cc2c1 35311733 LGBCYLOGNXJAJI-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 59137697 FSIDURDQSCOQDG-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB CC(C)CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 95471987 KMGNEHJUEJOWPC-UHFFFAOYSA-N 401.535 5.152 30 40 HKEB CC1=C(c2ccccc2)Oc2ccccc2/C1=C\C(=N\c1ccccc1)c1ccccc1 96430097 CWCPBIXVTKURAW-USUYBSHXSA-N 413.520 7.715 30 40 HKEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 97953120 QNDWKEZNHNXNOO-SLFFLAALSA-N 422.573 5.233 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl 98006133 XIYCOKANPDUQOG-UHFFFAOYSA-N 422.462 8.088 30 40 HKEB C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2cccc3cccnc23)o1 101993714 MGQNTOPFGJLXRG-LQKURTRISA-N 420.493 7.629 30 40 HKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 103760613 FQPHACNNBRGFGH-MFKUBSTISA-N 416.868 6.160 30 40 HKEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCCC2)cc1 225768406 JEMWJPBPURFNTO-UHFFFAOYSA-N 406.526 5.442 30 40 HKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(O)=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 263600698 KHKDIUPVDIEHAH-CLVFFMBESA-N 414.586 5.896 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 408610661 RBULPFXADJALIA-UHFFFAOYSA-N 414.702 5.817 30 40 HKEB CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl 408766007 YKYYVEBFVPXYBL-BOPFTXTBSA-N 421.349 5.846 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)cc1 408768014 RYZKXZCOXQWHLY-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2c[nH]c3ccccc23)C2=C1CC(C)(C)CC2=O 408889800 JGTZPDHUVSFKJH-UHFFFAOYSA-N 402.538 5.483 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 408918298 ISXVNWLOXDVXOK-RQZCQDPDSA-N 405.306 5.070 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)c1 409047608 OZGHQTOIWJLVGE-ZMOGYAJESA-N 423.856 5.325 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 409115018 GMZLKUSDVDGCFL-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409217431 UUDJDJRRFAACBH-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 676795 NEYVEJUKPTULDV-DWXRJYCRSA-N 414.480 5.814 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1250079 UBIDOWJPABEXHH-UHFFFAOYSA-N 412.580 5.275 30 40 HKEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1 2593020 HFKUCJRFAJSUDA-SFQUDFHCSA-N 415.312 5.096 30 40 HKEB CCOc1cc(/C=N/n2c(C)nnc2C)ccc1Oc1ccc(Cl)cc1Cl 2779879 DZFVLTIXXQVTIC-SSDVNMTOSA-N 405.285 5.275 30 40 HKEB Brc1ccc2nc(/N=C/c3c4ccccc4cc4ccccc34)sc2c1 3077574 CYJTULBUJPQODB-ZMOGYAJESA-N 417.331 7.116 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 5901772 LMFVCQPBELSFEE-GFCCVEGCSA-N 407.366 6.330 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCc1ccccc1F 8856958 KLDQYHXWAYZFJM-UHFFFAOYSA-N 420.509 6.919 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2cccc(Cl)c2)C1=O 8983375 XFNRMJBLUPAUJJ-WJDWOHSUSA-N 420.317 5.537 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1C 13503493 PZWNBHVIMCOOEG-UHFFFAOYSA-N 423.541 6.121 30 40 HKEB Nc1cc(Cl)c(Cl)cc1N/C=C\C(=O)c1cnc(-c2ccc(Cl)cc2)s1 43790768 XVASVSLBXXUMLM-WAYWQWQTSA-N 424.740 6.161 30 40 HKEB O=C1CN(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl 59435453 JAEXNLRIOFEXSF-SIBVSACJSA-N 424.331 5.371 30 40 HKEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102583491 TVPYMKNVSJOBIA-JBCNATCCSA-N 421.880 5.117 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 103876433 ZKIHPMHVQZGSRY-RMFZKBONSA-N 420.658 5.052 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2Cc2ccccc2)cc1 408912923 MEGCODIKYSELHC-LBMUFILHSA-N 400.503 5.505 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408941713 PMSNEGZKFDHDQV-QAJCSVGLSA-N 408.545 7.053 30 40 HKEB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N 714285 ZPTORVMFCLWBTE-UHFFFAOYSA-N 419.350 5.030 30 40 HKEB N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCCC2 2086404 IECWGWMCVRZTDI-CSKARUKUSA-N 405.350 6.237 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 3167774 QMGMBUOMGVPKSK-ZLNRFVROSA-N 407.498 5.032 30 40 HKEB CCCCCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 3670900 GGXSLJIBPXWBFG-SSPWFOHLSA-N 408.538 5.788 30 40 HKEB CCCCc1ccc(/N=C2\C(=O)N(CN(C)C3CCCCC3)c3ccccc32)cc1 4402420 HLMSHXXCFHVBIQ-RFBIWTDZSA-N 403.570 5.719 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1cccc(C(F)(F)F)c1 8733529 IQUUUCBGPSQNMF-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB C/C(=N\OC(=O)Nc1cccc(Cl)c1)c1sc(-c2ccc(Cl)cc2)nc1C 8781561 PJLZTYFACAOIIH-WYMPLXKRSA-N 420.321 6.398 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1C[n+]1ccccc1 9329418 SYUGLBZIXVZTRT-JIWYJQEDSA-N 422.589 5.500 30 40 HKEB Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c(Cl)c1 9508779 ZCWYQEZXABOXAT-UHFFFAOYSA-N 420.925 5.360 30 40 HKEB Cc1cc(O)c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 13690996 JRIJSYBCMCCOMD-XKZIYDEJSA-N 403.478 5.295 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 18158346 QZWYETDIHRZMDY-FSJBWODESA-N 411.324 6.272 30 40 HKEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N 33922023 YAOKYGSMPUXWJO-VROXFSQNSA-N 415.280 5.421 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCC 59106032 RPTBFRQAMWXJSH-GZTJUZNOSA-N 420.893 5.168 30 40 HKEB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 59490080 KORZOASSBWCGSF-UHFFFAOYSA-N 406.482 5.176 30 40 HKEB CCCCCCCCCCCCCCCc1nn2c(=O)c3ccccc3nc2s1 97944414 TZIPIJRIQVGMGB-UHFFFAOYSA-N 413.631 6.938 30 40 HKEB O=C1/C(=N\Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 100391872 ROQFRYUUMFDXAI-QQTULTPQSA-N 409.276 5.212 30 40 HKEB Cc1ccc([C@H]2CC(O)=C/C(=N\c3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 104121729 CPOWXNWXJNTZEP-CNDSNSFTSA-N 424.569 7.672 30 40 HKEB CC(C)N1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccccc1 408905822 FGDJQBIZRGSBBC-CUNGHOPLSA-N 401.329 5.462 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1OC 409094092 BVDXYKYGWLZVJK-LSFURLLWSA-N 417.771 5.120 30 40 HKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409369148 FGWKZFWOQIDEEK-XDHOZWIPSA-N 401.418 5.005 30 40 HKEB Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 1087282 PPGJHEQIYQKYFC-XUIWWLCJSA-N 408.457 6.391 30 40 HKEB C=C1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 1674467 CTODNONTMIKMLW-ZWXJPIIXSA-N 424.543 7.016 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=S)Nc3ccccc3)c2C)cc1 2053894 LUSNKOIYHHWIIP-KOEQRZSOSA-N 404.583 5.757 30 40 HKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)sc2c1 2081593 ISOZHORCUNKSOE-UHFFFAOYSA-N 414.983 6.708 30 40 HKEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3306299 AWNBQJMLNFLVJB-XDOYNYLZSA-N 417.918 5.638 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@@]21C 4061012 OZJGJSHDHAGQJH-FTLVODPJSA-N 400.647 6.568 30 40 HKEB biogenic C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 6233849 NQLFPHJWOHXNOW-OAQYLSRUSA-N 420.582 5.192 30 40 HKEB Cc1cccc(C)c1/N=c1\scc(-c2cccc(Cl)c2)n1/N=C/[C@@H]1CC=CCC1 6523465 IBAJZAFIYLBSJC-OETIQMCDSA-N 421.997 6.909 30 40 HKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 6783624 GTTCYPNRLFPECI-BKRIMNEDSA-N 415.618 6.006 30 40 HKEB N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6998111 LMOYFBUCUCCXEZ-UHFFFAOYSA-N 400.482 5.296 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Oc1ccc(Cl)cc1Cl 8857131 KNNQNFQLSOOBBG-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccc(Cl)s2)c1C#N 9390680 SLKAYNKVMWGGED-UHFFFAOYSA-N 416.911 5.215 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CCCCC2 101892575 MMJQBNFCPJEPAV-WGOQTCKBSA-N 419.550 5.814 30 40 HKEB COc1cccc(/C=C2/CCCC/C(=C/c3cccc(OC)c3OC)C2=O)c1OC 104075694 LIURKLRYLCGHBR-IQRFGFHNSA-N 408.494 5.331 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408545133 ZFYQJLBSNBXUNL-HSOLMKNUSA-N 400.478 6.245 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 408939564 SVPVYBGMUTVUCY-SGHUBIRESA-N 406.573 7.696 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(C)cc1 409101602 WNFKTYPQCRKINV-KGENOOAVSA-N 423.534 5.367 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 409217589 QKCBNMVCLAOFKM-RDRPBHBLSA-N 409.529 7.185 30 40 HKEB CCOC(=O)c1c(/N=C/c2ccc(-c3ccccc3C(=O)O)o2)sc2c1CCCC2 409217615 DRMLCGCHMMEMQQ-ZMOGYAJESA-N 423.490 5.512 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O 1955240 QGGLCFIITKIGII-YDZHTSKRSA-N 419.462 5.726 30 40 HKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccccc3Cl)ccc21 2228216 FSVBPSJVYRWGQT-MSXFZWOLSA-N 416.860 5.854 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C\c2cccs2)C(=O)N1c1ccccc1CC 2741482 HEECLCCUGVKTAC-WMOWQXFYSA-N 418.587 6.682 30 40 HKEB CC(/C=C/[C@@]1(C)[C@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 3945396 ZLAQYJKDQSZARB-FLDGXQSCSA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1-c1ccc(Br)cc1 4053430 XYQAZBTXNQMEGU-UHFFFAOYSA-N 403.201 6.069 30 40 HKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 4075141 XDBUICCCAGCPKT-FYSMJZIKSA-N 402.519 5.736 30 40 HKEB COc1cccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C[C@@H]2CCCO2)c1 4886097 RAEDWKNAWFUQJW-PWKIUMOWSA-N 419.550 5.326 30 40 HKEB COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/CC(C)C 4967327 SDSIVKWCPLDREJ-OCEACIFDSA-N 419.594 5.980 30 40 HKEB S=C(NCCc1ccccc1)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 6829477 MDSWDWSGHLETGV-JVWAILMASA-N 417.965 5.687 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1C 15018565 ZXLGYMYLFFZNQS-KGENOOAVSA-N 401.535 5.603 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 18219567 LGBJBVURTHENNC-JOCHJYFZSA-N 420.877 6.115 30 40 HKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(C(C)=O)cc1 26570033 YQTDTWWSGNBYCD-UHFFFAOYSA-O 404.342 6.142 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1O 58407611 MSZDLMFDGOGFOU-FARCUNLSSA-N 401.178 5.078 30 40 HKEB Cc1sc(N/N=C/c2ccc(OCc3ccccc3F)cc2)nc1-c1ccccc1 59193785 KCFZCCZJVXBMIJ-CVKSISIWSA-N 417.509 6.283 30 40 HKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)c1 100503040 KUZIMWYRORLGOF-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)C)C[C@H](O)C[C@H]1O 169658384 OFHCOWSQAMBJIW-BECVCULNSA-N 400.647 6.590 30 40 HKEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1OCc1ccccc1 208864961 FTYZKIAFPGJLHT-HYARGMPZSA-N 422.933 6.647 30 40 HKEB COc1cc(/C=N/c2ccc3ncccc3c2)ccc1OCc1cccc(C(=O)O)c1 408858321 YFPGOHVBWNBYEX-JFLMPSFJSA-N 412.445 5.271 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 408868293 LRNZASKWYYPKRN-JAIQZWGSSA-N 424.909 5.402 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OCC)cc1 408893953 OWCGJWAUICVPRX-QNGOZBTKSA-N 423.896 5.172 30 40 HKEB CC(C)Oc1ccc(Cl)cc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409087126 GKLJRPRRQKLCOB-REWBEUJESA-N 415.002 6.962 30 40 HKEB COc1cccc(/C=N/c2ccccc2SC)c1OCc1ccc(C(=O)O)cc1 409188483 ZSAYGIYPUWJPLI-ZVHZXABRSA-N 407.491 5.445 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 409201526 LXLFHRVQINJFMV-HYARGMPZSA-N 406.320 5.786 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)S/C1=N/c1ccc(F)cc1 409239065 GCYULBGEVLXQBU-JBKGZACMSA-N 417.465 5.581 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1Cl 4045019 UIAXPGNKRBBTBN-QHCPKHFHSA-N 422.355 7.347 30 40 HKEB biogenic COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 5611036 INWYOJVNZNWKFL-ZMOGYAJESA-N 406.873 5.250 30 40 HKEB C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 6263416 RTOTWYQAYGHAQF-UHFFFAOYSA-N 417.549 5.014 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 6920453 DPWYJGNCBFKBIH-LBPRGKRZSA-N 412.967 6.446 30 40 HKEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccs2)n(C2CCCCC2)c1C 8072224 PBUWXYSBYNXCFU-HXUWFJFHSA-N 410.587 5.319 30 40 HKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 12603033 IUORMXWLHHCHOC-AFUMVMLFSA-N 405.420 6.497 30 40 HKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)cc1 16741349 CHFNILJMRIFTAF-HSZRJFAPSA-N 417.505 5.139 30 40 HKEB COc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c(OC)c1 50647529 JMUCIVBZLMFRNS-MOSHPQCFSA-N 423.472 5.485 30 40 HKEB CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 68603348 NHOJERJINQFQQG-WEMUOSSPSA-N 408.630 7.803 30 40 HKEB C=CCN1C(=O)/C(=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 100322638 GVHSZCBAKKNBQS-BUVRLJJBSA-N 414.214 5.361 30 40 HKEB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1OC 104155954 ASVKVSCHJAVJQM-NRFANRHFSA-N 415.489 5.482 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)c(OCC)c1 104373372 BKYGYHRCWWFYJD-MOHJPFBDSA-N 407.624 5.510 30 40 HKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 226333617 TUGROQJWGQPTJZ-CSKARUKUSA-N 407.691 5.424 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(C)C)cc3)c3ccccc32)c1 408544004 UGZQBBYQWODGIX-LQKURTRISA-N 410.517 6.350 30 40 HKEB CCOc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1I 408905533 YVYJLKQYMBDNGE-OCKHKDLRSA-N 420.077 5.747 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccccc1 408906345 IMMYRCCCFDIRCH-LBMUFILHSA-N 408.567 6.141 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)o1 409346864 OLLDHYPONXWIRB-ODLFYWEKSA-N 406.463 5.363 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1817055 MYDUJHBUWFUCOI-RUZDIDTESA-N 402.563 5.792 30 40 HKEB Cc1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 2075491 ASHQZFARNIMJTG-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB Cc1ccc(N/C(S)=C(\C(=O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c(C)c1 3377628 JBOXDNNRYWBZQJ-UHFFFAOYSA-O 417.598 5.939 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 5418894 KULAGGNKGVFJFO-FBGITGBUSA-N 413.517 6.891 30 40 HKEB CC(C)c1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cccnc1 6365489 HYBUPGMIFQAHHI-UHFFFAOYSA-N 411.534 5.617 30 40 HKEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 6781612 HHALJFYIHUVBCS-DEOSSOPVSA-N 418.537 5.494 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 9422355 IUQCXUBSPRIGKS-WYMPLXKRSA-N 415.876 6.027 30 40 HKEB CSC1=N/C(=N\c2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccccc1 12371845 XUESKPYOFCQVCF-XHPQRKPJSA-N 417.500 6.678 30 40 HKEB Cc1c(Cc2ccccc2)sc(/N=C/c2c(O)ccc3ccccc23)c1C(N)=O 13126175 KMOCCUDACMAAFO-VULFUBBASA-N 400.503 5.356 30 40 HKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CNC/C1=C\c1ccc(Cl)c(Cl)c1 17198631 GJPXGFGIFQWUOC-FUJGBLOQSA-N 413.131 5.940 30 40 HKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1nc2ccccc2[nH]1 27471285 CCHVZDDHAPTVAX-BUHFOSPRSA-N 423.903 6.636 30 40 HKEB CCCCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)OC 59268484 NPJNZIRWRSZQBF-HSZRJFAPSA-N 422.521 6.131 30 40 HKEB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 59426262 MSALRPKGYHANQW-DFKUXCBWSA-N 412.536 7.870 30 40 HKEB CCCCCCCCOc1ccc(Cl)cc1/C=C1/S/C(=N\C(C)=O)NC1=O 100085285 ADQGQSSIMLYLFZ-QGOAFFKASA-N 408.951 5.186 30 40 HKEB CCn1c(N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)nc2ccccc21 408692235 IAQGAMZPASOTEZ-AFUMVMLFSA-N 405.933 5.872 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1OC 408722979 PBEJNSFITMPYMA-WGOQTCKBSA-N 414.530 6.553 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408774052 ABDXOACRUYOQQP-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408909238 GUYMGLZSOFCPMX-NVZLDUMVSA-N 415.474 5.399 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)C 409090637 MRYQPYAYCHRKEM-OXVLKEGXSA-N 410.583 6.317 30 40 HKEB Cc1ccc(Sc2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 409102278 YLYTXNQADYMHDZ-FOKLQQMPSA-N 421.400 6.112 30 40 HKEB CCOc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409208519 GMEFNOMFSJEYHD-QFEZKATASA-N 400.305 6.722 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 409210120 DUNXCQGUNKQLIK-RWPZCVJISA-N 420.339 7.785 30 40 HKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=C/C=C/c1ccccc1 409279629 JFRWPLKSPZUVKU-FCJLSLJOSA-N 419.406 5.630 30 40 HKEB Fc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 1839406 HHIPNNMKDSZUIZ-DHRITJCHSA-N 400.482 5.884 30 40 HKEB COc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1CCCC2=O 2158223 PTFSCCPAYBCLCH-QHCPKHFHSA-N 424.327 6.829 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 2320215 UETVTJGSXDXJIR-UHFFFAOYSA-N 412.624 6.307 30 40 HKEB C=C(C)Cn1c(SCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2351162 QFOQUUPXMLBQKL-UHFFFAOYSA-N 410.608 6.082 30 40 HKEB Oc1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2o1 2756747 XAUSYZSCEAXHLO-CGIFWJFOSA-N 419.278 6.379 30 40 HKEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 5156169 OMACFJXGRCXFGA-UHFFFAOYSA-N 401.260 5.292 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Cl)c4O)cc3)nc2c1 6449716 BTTAQVXVLGEABH-JZNDDVEWSA-N 418.924 7.426 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1OC 8363032 OUOFPRDDCMGDOO-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccccc1Sc1ccccc1 8757119 LUIHNIIPMWMARL-UHFFFAOYSA-N 424.909 5.389 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197775 KQDYALYOUAZJRU-FYSMJZIKSA-N 417.530 5.724 30 40 HKEB N#C[C@@H](CNc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 26895927 IFJQZHNOIGXVJC-SFHVURJKSA-N 407.311 5.747 30 40 HKEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(Cl)cc1Cl 102658153 JSLORKDOXRQYCN-NCELDCMTSA-N 416.695 5.445 30 40 HKEB CCCC/N=c1/scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccn1 103371606 JFVPZVVAYKBJJI-RZOMPMLDSA-N 412.562 5.862 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2Cl)cc1 104103030 FOXWYSAIYTXCQZ-JBCNATCCSA-N 421.855 5.414 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 245229191 PZMASCFNOYVBCT-APTBVQDRSA-N 406.957 6.377 30 40 HKEB Clc1ccc(-n2cccc2/C=N\c2ccc(I)cc2)cc1 408846514 KEENYMWGZZBCSA-NDENLUEZSA-N 406.654 5.486 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409078111 GQZXFSUXXQPMSI-MOSHPQCFSA-N 424.283 5.917 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 409095569 BMSMCLZRXJTEFP-DEDYPNTBSA-N 413.470 5.026 30 40 HKEB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1C#N 1355176 UARVZQLUIUBLQG-UHFFFAOYSA-N 401.441 5.056 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1 1434723 XRQFXOGDPUKNJS-NIYFSFCBSA-N 414.936 6.628 30 40 HKEB N#Cc1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)sc2c1CCC2 2210240 FLKLHPXRZYQURT-UHFFFAOYSA-N 403.872 5.137 30 40 HKEB N#Cc1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(C(=O)O)cc1 2581970 TUUKNZOJDDSAMY-CMDGGOBGSA-N 400.221 5.301 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 3050614 DZHPXPHOYMTJMT-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB Cc1ccc2sc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)nc2c1 3084964 JEJSHCSUIQYKOG-BRJLIKDPSA-N 406.938 6.998 30 40 HKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(N(C)C)cc1)C(C)(C)CCC2(C)C 4820086 WXODCSGAWQTZIS-UOSOPFLXSA-N 403.614 6.507 30 40 HKEB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)c1 8811792 XLICDHMAGCSOGG-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)ccc1Cl 10118806 QBOJXWZWOGYIGE-DHRITJCHSA-N 417.292 5.554 30 40 HKEB Cc1ccc(-c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4Cl)o3)o2)cc1Cl 12284805 JUIKBTKOBHXDJI-CSKARUKUSA-N 423.295 7.718 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/CC23CCC4C[C@@H](C[C@@H](C4)C2)C3)c1 13375924 YFQLMBQMQOSMSL-LOSZLSJKSA-N 407.308 5.088 30 40 HKEB O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N/c2ccccc2)N1C1CCCCC1 18140772 SKDVXLOWFLNJGV-IZSQXYTLSA-N 406.507 5.352 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 36093479 AJDWCAPTDNGUFZ-STXSBSPXSA-N 415.562 5.701 30 40 HKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58823140 INYCBVXJGDREMP-ZMOGYAJESA-N 401.293 6.027 30 40 HKEB CCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1F 59663943 YTBUTPSTHDINAB-ZXVVBBHZSA-N 413.533 7.184 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N/c1ccccc1 223524906 ODKHKQTZLWVGGD-SFNVVVPJSA-N 419.594 6.033 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 409208161 BKXZMFMDNKKZRV-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB CC(=O)S[C]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 1560408796 LECPTJYLJLZAND-PRLJRECGSA-N 415.575 5.016 30 40 HKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)sc2c1 2740806 KIZMYOHRYJHAKC-SNVBAGLBSA-N 400.956 6.173 30 40 HKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 3016903 KSYJBSRTUKCZMC-NMWGTECJSA-N 419.565 6.678 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2ccccc2c1/C=N/c1cccc(C(=O)O)c1 3090471 NVZMHMNWVBFZKF-JVWAILMASA-N 409.441 5.816 30 40 HKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 4832086 JGMJSHVKLYIUFA-JFLMPSFJSA-N 402.885 5.795 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 6187908 VCSAZRPZJJCAKW-QFIPXVFZSA-N 401.437 5.225 30 40 HKEB CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 8614939 ZIVXTYCVUKJRNS-UHFFFAOYSA-N 415.449 5.836 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@H]1CC=C(C)C1(C)C 18250032 UNOQSTZPCVOPNP-XMSQKQJNSA-N 420.597 6.249 30 40 HKEB biogenic COc1ccccc1CNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820399 LJPPGNPNTTUWST-UHFFFAOYSA-N 418.566 5.655 30 40 HKEB C=CCn1c(C)nnc1S[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 29382731 FCGOOJIRCYERGR-OAHLLOKOSA-N 423.973 5.677 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)cc1 44843518 GUGQPHPEVCRANF-BQYQJAHWSA-N 404.613 5.930 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CCC[C@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C 103971788 ROGGJWDJRVWFJL-PDODGCJDSA-N 416.690 6.990 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 247996072 AHSAQRLLZMVWMN-SKJDRFBYSA-N 408.611 5.321 30 40 HKEB C=C[C@]1(C)C[C@]23C[C@H]([C@H](OC(=O)c4ccccc4)c4ccnc5ccccc45)N2CC[C@@H]13 253676199 AUSOAUVQJQLTDO-OCINJLECSA-N 424.544 5.562 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260735416 ICKRUUPECYXGKK-OALUTQOASA-N 409.599 5.535 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(Br)c1 408772396 OSTKMEPAIRXCMY-FMCGGJTJSA-N 401.735 6.569 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409045727 HIKJDAUCJNCUKY-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O 409190813 RAPSXGROJWBHNT-LDADJPATSA-N 415.898 5.414 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 409202751 RYWBEOKGVFBDJR-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl 864696 PWPKAPIQGQTXGX-UHFFFAOYSA-N 419.348 6.394 30 40 HKEB CCCCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 2224838 MUGJFMZABPYNRE-UHFFFAOYSA-N 417.597 7.667 30 40 HKEB O=C1C(c2ccccc2)=C(Nc2cccc(OC(F)(F)C(F)F)c2)c2ccccc21 2543387 GYQILAHYEOBXRI-UHFFFAOYSA-N 413.370 6.100 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@@]21C 4666762 PPBLYMALQBCVFW-VUMWNPMISA-N 402.619 6.518 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NC2CCCCC2)cc1 5248978 LPEGJXSRDGGNNL-UHFFFAOYSA-N 408.549 6.311 30 40 HKEB CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 5727481 UMXFDDXWKWEBBP-WGARJPEWSA-N 406.551 6.024 30 40 HKEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 6283044 VOXJEHVUNGKAOM-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB N#Cc1c(-c2ccccc2)cc(/C=C/c2ccc3c(c2)OCO3)n2c1nc1ccccc12 6550142 RCXZMXXPTRUHDI-ZRDIBKRKSA-N 415.452 5.925 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)c(Cl)c1 6609739 CGIOOGFZHDQONA-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB Cc1ccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2)cc1 8550110 XIMPMDJFZVGPJT-HYARGMPZSA-N 418.493 5.605 30 40 HKEB O=c1oc2ccccc2cc1-c1csc(NN=C(c2ccccc2)c2ccccc2)n1 12558978 IFMLFYKEYFNDRS-UHFFFAOYSA-N 423.497 5.781 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl 16292268 PCJLEJLDIMUATG-UNOMPAQXSA-N 415.967 5.615 30 40 HKEB CCO[C@@H]1Oc2ccc(Br)cc2C(=O)/C1=C/Nc1ccc(Cl)cc1 16687951 IUNYXQNTLCANRB-QWSHFYNQSA-N 408.679 5.036 30 40 HKEB Cc1cc(Cl)cc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 38182147 DVCIHIGLNBXXJZ-NGYBGAFCSA-N 419.500 5.335 30 40 HKEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248021 NDPRQFIJYPAPFR-DHRITJCHSA-N 404.466 5.365 30 40 HKEB COc1ccc(/C=N/N(/C(=N\Nc2ccccc2)c2ccccc2)c2ccccc2)cc1 102109288 RGVRWZWWPHSRNU-RKCVARJHSA-N 420.516 6.010 30 40 HKEB Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 104374502 NLTACGOMLIOMMY-MHZLTWQESA-N 406.529 6.641 30 40 HKEB COc1cc(/C=N/c2ccccc2SC)ccc1OCc1ccc(C(=O)O)cc1 143505257 VZSXHPWQEJHOLP-ZVHZXABRSA-N 407.491 5.445 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12 226362406 ZMRPSRSPCBNMAK-JXMROGBWSA-N 417.808 5.688 30 40 HKEB Clc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 408930771 BVBOGVAPBQMKQY-YZSQISJMSA-N 406.913 5.506 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(/C=N\c2cccc(Cl)c2)c1 409110840 ALPMWZJUXYMDGZ-UUYOSTAYSA-N 403.290 6.803 30 40 HKEB C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 2308149 LLWGNAGAPXUASA-CNOSZWPESA-N 407.926 5.347 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 2369022 SDLNJPBIGLHGLR-UHFFFAOYSA-N 412.518 5.168 30 40 HKEB COc1ccc(/N=C(/Sc2nnc(C)s2)c2cccc(Br)c2)cc1 3668703 LQHLFSPGIQERAG-KNTRCKAVSA-N 420.357 5.488 30 40 HKEB Cc1ccccc1OCCCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 4670604 FHGNASDKAACVAI-JJIBRWJFSA-N 405.454 5.197 30 40 HKEB COCc1cc(C)nc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1C#N 4797927 JNXLBOOMEPUUOT-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB COC(=O)c1sccc1-c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)o1 5248395 KSSGORQFWDHEDB-SOFGYWHQSA-N 406.381 5.710 30 40 HKEB Cc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)s2)s1 5364080 SVBRAKPGHNVESM-UHFFFAOYSA-N 402.457 5.107 30 40 HKEB Cc1ccccc1N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5884798 DTINSSKQUQLQNS-VUTHCHCSSA-N 422.528 6.599 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(C)cc3)c2C#N)cc1 6245070 PKDSGYPHONTQSD-UHFFFAOYSA-N 422.553 6.897 30 40 HKEB CCOc1nc2c(c(-c3cccc(Cl)c3)c1C#N)CC/C2=C\c1ccccc1Cl 8780862 LFPCLEIFQWVOBM-SFQUDFHCSA-N 421.327 6.813 30 40 HKEB CCCCCC(/C=N/n1c(O)nc2c([nH]c3ccc(C)cc32)c1=O)=C\c1ccccc1 9011744 IVQKEDUKRIBWSO-JODQWXPZSA-N 414.509 5.390 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 9713909 SAXBRWHZZPRYAQ-LBPRGKRZSA-N 419.884 5.426 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 12564675 CFICBWBLLFTEPM-SDNWHVSQSA-N 413.408 5.483 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)c2C#N)C1 17093818 BRNVWERHMHRPOB-VIFPVBQESA-N 424.378 5.178 30 40 HKEB COc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59500324 CINGFKKFKDBICH-DHRITJCHSA-N 416.355 6.165 30 40 HKEB CC1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)[C@]2(C)CC[C@@H]1C2 100092977 FNJORGFZHZTBIQ-PKFNFEEDSA-N 420.658 5.052 30 40 HKEB CCCCCCCCCCN(CCOCCO)C(=O)Nc1cccc2ccccc12 100934508 ZYBPEPZSJMHWKF-UHFFFAOYSA-N 414.590 5.823 30 40 HKEB C=CCc1cccc([C@H]2CC(c3c(O)oc(C)cc3=O)=Nc3ccccc3S2)c1O 138449771 MLAKCTSXSCGKRN-OAQYLSRUSA-N 419.502 5.446 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@@H](C)CC1(C)C 198100802 CUDKZUXYXANFPF-FGAYPWGZSA-N 405.586 5.694 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCC[C@H]4Cc4ccco4)[C@H]3C[C@@H]12 217417938 KBWQXZRWBYAKNJ-DGPHZZSSSA-N 411.586 5.285 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 408592609 MVKUGYREGIMMIE-AFUMVMLFSA-N 424.428 5.262 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408674124 XNGUCFCCKNDSNN-ZRZAMGCNSA-N 424.585 6.002 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCCO3)sc2c1CCCC2 408843397 FFWAKBBTGYHTOL-MYYYXRDXSA-N 418.518 5.401 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1C 408980408 WKCDFNZJXHHTAP-LMTJQJACSA-N 412.558 6.729 30 40 HKEB CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(OCC)c1 409287021 RUZOMKZFVQEANZ-UHFFFAOYSA-N 419.525 5.124 30 40 HKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 720746 JPPXPLUMOODMLS-IVCQMTBJSA-N 416.546 6.126 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2cc(-c3ccccc3)ccc2O)c1 3033553 AVLMEOTVCUZYEP-SRZZPIQSSA-N 413.227 5.186 30 40 HKEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@H]3CC4=C(CCCC4(C)C)C[C@H]3C)cnc12 5156809 LJUWURFVJHIWJY-PSOMGPDVSA-N 418.541 5.273 30 40 HKEB C=CCS[C@H]1NC2=C(C(=O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 8738978 DDROSLFGVQSSRC-VWLOTQADSA-N 416.590 5.349 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1Br 15225760 NTRPBHDMVXYTQJ-AFUMVMLFSA-N 410.355 6.373 30 40 HKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 16158842 CLAFORNURXUTRS-LZWSPWQCSA-N 414.354 5.960 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC 16228184 GPIBJPPJZRUUEI-MFKUBSTISA-N 420.534 5.647 30 40 HKEB Cc1ccc(N/C(=N\C(=N/C(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1 17920923 VQPCUEMZQUFZCU-UHFFFAOYSA-N 417.512 6.141 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c(C)c1 33301477 OEAHYYPGCDKKHU-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59302520 LJXMQTAMGNDCHH-HYARGMPZSA-N 419.319 5.350 30 40 HKEB COc1ccc(N/C=C/c2onc(-c3c(Cl)cccc3Cl)c2C#N)c(OC)c1 100335070 BYGYINCQVTVXKJ-CMDGGOBGSA-N 416.264 5.620 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 102137238 WHGDLJBZLIXNHH-NRFANRHFSA-N 421.447 5.347 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1F 223675291 IUMGWNYERHOXTP-UHFFFAOYSA-N 419.312 5.259 30 40 HKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(Br)c1 408587882 ALBXWEMAGSSRTL-ZMOGYAJESA-N 408.299 5.279 30 40 HKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1 408774293 BXTRBZQVFHFCSZ-MYYYXRDXSA-N 403.323 6.760 30 40 HKEB O=C1C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)c2ccccc21 408820016 SOEVIJVXZBVYPV-UHFFFAOYSA-N 409.268 6.035 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c(OC)c1 408936018 JNUFGYRUNHKIIM-YSIKMMNKSA-N 410.517 6.281 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408963300 YXGCZRPDAZHEQI-GZTJUZNOSA-N 417.317 5.205 30 40 HKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCOCC2)cc1 409086831 HDWRHOSEAMHNBM-TURZUDJPSA-N 400.566 5.742 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 409203412 WZPVZHFPSYSGAU-JFLMPSFJSA-N 407.941 6.994 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S/C1=N/c1ccc(OC)cc1 409237025 UXQAMKOYOZYTDY-AOUVVKEYSA-N 414.530 5.986 30 40 HKEB CCOc1ccc(Cl)cc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409388602 VJQGYNHJSXAXAD-DHRITJCHSA-N 406.825 6.474 30 40 HKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 2055347 GDKOVKMDDBQQTR-IBGZPJMESA-N 407.432 5.017 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nc2ccccc2s1 2655489 GNQKZVFIWGCOAS-UHFFFAOYSA-N 402.500 5.676 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc2)cc1 5376554 GECHUUZVQZSCAI-HAHDFKILSA-N 414.530 5.774 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1OC 12663028 FEPHZGXUXGGUGH-MXAYSNPKSA-N 416.473 5.516 30 40 HKEB biogenic Cc1c(O)ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O 17180844 YNMWFFRYXCZXLS-WYMPLXKRSA-N 404.857 5.116 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC 20727449 OQJYOYVSSOOVDU-FPTDNZKUSA-N 422.506 5.020 30 40 HKEB O=C1C=C/C(=C(\c2ccccc2C(=O)O)c2ccc(O)c3ccccc23)c2ccccc21 33687418 QXVXOZMPAHNCCW-VYIQYICTSA-N 418.448 5.955 30 40 HKEB CCCCCCC#CC#CCNc1ccccc1NCC#CC#CCCCCCC 100934532 VBTJBDRGWQQRSA-UHFFFAOYSA-N 400.610 6.465 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O 104350074 UQOUMLSYUBEUEW-YYADALCUSA-N 419.679 6.672 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@]4(C)CC[C@H]32)C1 253499686 PYLBSMLISGOFKG-YBRWTATJSA-N 418.577 6.144 30 40 HKEB CCn1c2ccccc2c2cc(C=Nn3c(S)nnc3-c3ccc(C)cc3)ccc21 253616996 PSKZKZOLGZSOLP-UHFFFAOYSA-N 411.534 5.552 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1 408759270 AXTSWLRINYYDHE-JCMHNJIXSA-N 401.535 5.548 30 40 HKEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 408872830 JMVMIPHVLSIJQP-JAIQZWGSSA-N 408.910 5.702 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 408937317 ISMAHRSTHVBMLH-JHCGDMRDSA-N 408.545 6.971 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 408967715 XATOIMJUYMVFCV-OEAKJJBVSA-N 415.562 5.911 30 40 HKEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Cl 408995941 CCIRJJIMHNEROA-SSDVNMTOSA-N 411.870 5.442 30 40 HKEB CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409107227 RBYABSGSZOMLDQ-LSFURLLWSA-N 417.771 5.120 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(F)c1 409120039 SSVKELHGVKGNIK-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 409213993 WEFUPGVLHZSXNC-LQKURTRISA-N 415.920 7.140 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1Cl 409216921 PRVIHQYQOOXFKC-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCCCCCCCCCCCCCCCCC[C@H](CC(=O)O)c1ccc(O)cc1 627281285 LJFYHBGEUSVBQZ-RUZDIDTESA-N 418.662 8.602 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 3087860 ZUURPQYRBCJDCW-JVWAILMASA-N 412.489 6.330 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccc2ccccc12 4420927 ICGAWFWSNZICPH-MHZLTWQESA-N 403.525 7.194 30 40 HKEB Cc1ccc(Sc2c([C@@H](O)C#Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 5342244 OUYFAHFUBMAXDZ-QHCPKHFHSA-N 410.542 5.632 30 40 HKEB Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc(Cl)cc2F)c2ccccc2)cc1 5445501 JTOBCHYIQFUVCY-UHFFFAOYSA-N 402.878 5.035 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)ccc1Cl 7939553 PYGPDPYOSNALJF-FMIVXFBMSA-N 410.853 5.681 30 40 HKEB CCOc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1 9485716 SSEGTOYNWOVBHS-CYVLTUHYSA-N 414.417 5.558 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1)c1c(C)cccc1C 12774811 NWRVRCMEFBBHLD-VAWYXSNFSA-N 404.535 5.957 30 40 HKEB N#C[C@H](C(=O)CSc1nnc(C2CCCCC2)o1)c1nc(-c2ccccc2)cs1 32860245 ZTRLJVPDIFXRMP-MRXNPFEDSA-N 424.551 5.209 30 40 HKEB CCCn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 36619600 JCOSBAWMYWWBFV-NWYOMUFSSA-N 404.554 5.420 30 40 HKEB Brc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 59461342 QVDRFBOPVVEHGC-FNPLVTCOSA-N 401.285 5.639 30 40 HKEB CCCCCCCCCCCCN1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 70687535 PWVSILVMYYCGIM-SANMLTNESA-N 423.601 6.124 30 40 HKEB biogenic CCCCCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 97954870 DGBXBFXCZHRVTG-UHFFFAOYSA-N 406.530 5.685 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223533837 RHBARAQNCHUNLU-REFLOSCSSA-N 419.594 6.033 30 40 HKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752448 KFNIXJDNZWLSPK-UHFFFAOYSA-N 403.309 5.714 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408850918 GIPMCZVJWNEQRQ-TUSQIEDYSA-N 420.578 6.268 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccccc1 408914824 XYIQWMKLGSHJNG-OBUXZSPNSA-N 416.546 6.253 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1Cl 409214029 WYDGOKRMAHLYLE-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Br)s2)c1N 989103 JJPRFSJRUXUVGB-UHFFFAOYSA-N 404.314 5.001 30 40 HKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 3115460 QSNDCKHVSDUDTC-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB C(=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1)\c1c2ccccc2cc2ccccc12 3260486 ORMFFJMVZKRAGK-ZCTHSVRISA-N 424.503 8.066 30 40 HKEB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N/N=C/c2ccccc2O)s1 4575725 FSOKFTQJGGCQDL-BRJLIKDPSA-N 413.458 5.221 30 40 HKEB COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc(Cl)ccc2O)ccc1O 5125930 PXBMEVQTWPOWEX-WYMPLXKRSA-N 407.857 5.134 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(CCCC)cc2)C1=O 5551814 MEBVYJKFIPZFQL-PGMHBOJBSA-N 409.576 6.000 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 6475048 KVRURICHFJRLLN-FATZIPQQSA-N 424.928 6.520 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccco2)cc1 8969466 OXSMJKJXVFLUDI-FYSMJZIKSA-N 411.461 5.054 30 40 HKEB COc1ccc(/C=C\C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 17022832 RYXYAGMILXIYPX-XFXZXTDPSA-N 404.462 5.188 30 40 HKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 33778183 UPTJBVRIVUUADW-UDWIEESQSA-N 408.523 5.216 30 40 HKEB CC(C)c1ccc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 35288917 KUVMDTQVXSZZCU-UHFFFAOYSA-N 404.539 5.027 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1 59392238 QOQLLLBAHYEAIN-YZSQISJMSA-N 415.514 5.975 30 40 HKEB Cc1cc(/C=N/Nc2ccccc2)c(C)n1-c1ccc(I)cc1 59426227 WADUNHVZAJQBFT-FYJGNVAPSA-N 415.278 5.145 30 40 HKEB CN(c1ccccc1)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 59483024 HDYVEUPMDPDKNR-MFKUBSTISA-N 403.938 6.982 30 40 HKEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)cc1 69668024 JJNRNCTUYNTXPR-HXUWFJFHSA-N 404.901 5.031 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 101538169 JRMLWBQWTKPJIF-CUNGHOPLSA-N 401.875 5.262 30 40 HKEB CCCCCCCCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 104184319 TZSKSEVZYIKXFK-NDEPHWFRSA-N 415.730 8.002 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)cc1 137617789 NPWRZVALUVVVQV-CICSQNLLSA-N 402.538 6.535 30 40 HKEB CC(C)N1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@@H](C)CC1(C)C 223562327 MXRWJOJZRABSIS-JCJHSNGYSA-N 412.577 7.730 30 40 HKEB CCOCCN1C(=O)/C(=C/c2cccn2-c2ccccc2)S/C1=N/c1ccccc1 408929139 HNJXCKDHTVIWTC-BWRKVRLCSA-N 417.534 5.118 30 40 HKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408934693 BOHDZTULUFKLGE-UONORPNOSA-N 408.545 6.971 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(F)cc1 408961633 UFZSWGFKVUXBCG-QWKKMKHHSA-N 409.530 5.440 30 40 HKEB COc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409106689 SNCGEECGZRHVGE-QPSGOUHRSA-N 408.163 5.375 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 409199269 BACLCCHJCGEFRX-RDRPBHBLSA-N 409.529 7.185 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 409201212 KPBISOFDZLMNMB-DHRITJCHSA-N 412.302 6.535 30 40 HKEB C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O 409208445 BQZJQTVHUYRPLA-UNOMPAQXSA-N 411.548 5.152 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409209971 IVSCVAVZVMLTMA-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1ccccc1/N=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409215062 ZNOPNUULNCKJEN-MXAYSNPKSA-N 400.356 6.465 30 40 HKEB Cc1cc(C)c(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c(C)c1 409215529 APFHUXXMGITLME-NAKRTNOJSA-N 423.626 6.109 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccccc2C)cc1OC 409216896 PPEBQMCJXFNBOR-UDWIEESQSA-N 409.267 5.148 30 40 HKEB CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 729497 HJGXXOOEOVECKM-NIYFSFCBSA-N 414.574 6.851 30 40 HKEB COc1cc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)ccc1OCc1ccccc1 1901748 GGCWCWYQAXTARR-IWIPYMOSSA-N 422.554 5.458 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 2124297 KJRKWYATUZJVOU-OBTVHEKISA-N 408.501 5.196 30 40 HKEB biogenic O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc(Br)s1 2181542 JWENCNROHHRHKI-SRZZPIQSSA-N 404.716 6.146 30 40 HKEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 3649336 KJUITCGZDLVTAW-FUNAXGEOSA-N 421.305 5.537 30 40 HKEB Cc1ccc(SCCOc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2)cc1 4512383 VJENOMDQYGQEFB-XQNSMLJCSA-N 407.495 5.520 30 40 HKEB CCOc1ccc(-c2nc(N/N=C/c3c(Cl)cccc3Cl)sc2C)cc1 4837083 LJLHZVVAWSAIAY-SSDVNMTOSA-N 406.338 6.270 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 4937214 UXXZZOFJZZJXTJ-UHFFFAOYSA-N 400.594 5.293 30 40 HKEB COc1ccc(/C=N/Nc2cc(/C=C/c3ccccc3)nc3ccc(OC)cc23)cc1 5249179 MLRDYRWJEDJCJI-YWQNRBPGSA-N 409.489 5.868 30 40 HKEB CC(=O)O[C@@]1(C(C)=O)[C@@H](C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C 5676381 QOMMDSDNBQTOBX-XMCMFJFFSA-N 400.559 5.045 30 40 HKEB CCOc1cc(C)c(C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C 6958348 SKXBFZHMLHNOMZ-LEMNQXRHSA-N 424.610 5.938 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 13512027 OLGSBBOOFRWAAW-BJKOFHAPSA-N 422.864 5.108 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 13680957 SXQKJAUHERFDKZ-UCQKPKSFSA-N 423.509 5.139 30 40 HKEB COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Cl)c1OC 15016099 RDFMGTCYJODZGE-SXGWCWSVSA-N 423.321 5.211 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 59484282 IUDXPBNWCHROQT-BUVRLJJBSA-N 414.490 6.140 30 40 HKEB CCCCCCCCCCCCCCCCc1c(O)nc(NC#N)nc1C(=O)OC 73280148 ZHBSMQLSYFSJDE-UHFFFAOYSA-N 418.582 5.886 30 40 HKEB COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 100280587 JFVNGLBPVMODMQ-RRJMXWIWSA-N 415.474 5.061 30 40 HKEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 102929040 WAANNZRYJWWDSY-WOOAAIBNSA-N 422.481 5.032 30 40 HKEB CCOC(=O)Nc1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2 104089602 ZRWIWBUMPIUMED-MXAYSNPKSA-N 400.434 5.306 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 169366073 GMRQFYUYWCNGIN-DSTAHNBMSA-N 416.646 5.705 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 408784867 VZHAJZZIJIVWKB-QFEZKATASA-N 419.481 5.546 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c2ccccc21 408806786 BGMWSVNRKQIVLJ-MOSHPQCFSA-N 407.926 5.681 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 408909498 DFAUMQLVLBVHDJ-QTVVUPBISA-N 419.377 6.704 30 40 HKEB Cc1cccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)c1 409032094 IUTDBMLQEJUICO-KALUYTGESA-N 408.317 5.288 30 40 HKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cn(CC)c3ccccc23)C1=O 409125227 MWYGMUZDUFEMGO-ZHZULCJRSA-N 418.518 5.205 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C 409200645 IUAALXRGWPRLLJ-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1N(C)C 1027958 PHVSGIVQLBCKQW-DJKKODMXSA-N 412.125 5.042 30 40 HKEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)C(c1ccccc1)c1ccccc1 3330503 NTZQLVOUXGBHKY-LCUIJRPUSA-N 420.965 6.043 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)(C)C 4028948 ADSXFPHNMCPJSW-ZNXSLFQVSA-N 415.618 6.052 30 40 HKEB biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1 4863782 MJWBUPYPLQVHDN-LFIBNONCSA-N 414.892 6.097 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 4869675 ONYKRRVUHYDZCK-KDYSTLNUSA-N 423.516 5.311 30 40 HKEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(OC)cc1 5478394 HYZVMKYPCVSYOE-UHFFFAOYSA-N 416.344 5.195 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(Cl)cc1Cl 7449847 SZZYTDLBVUYRDS-FQEVSTJZSA-N 404.362 6.896 30 40 HKEB C[C@H](/N=C(\S)Nc1ccc(Cl)cc1Cl)[C@@H](c1cccs1)N1CCCC1 8692016 XMHYKWUTXHOZPS-SJCJKPOMSA-N 414.427 5.978 30 40 HKEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 9592322 FRCHLXISDBWQJX-UHFFFAOYSA-N 420.494 5.100 30 40 HKEB Cc1ccc(/N=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 14920854 AOZAYYLERXPJTM-UCQKPKSFSA-N 424.478 5.038 30 40 HKEB Cc1ccc2nc(-c3cc4cc(C)ccc4[n+](CC(=O)c4ccccc4)c3)ccc2c1 18196501 DVZNRWUZWKNADP-UHFFFAOYSA-N 403.505 5.842 30 40 HKEB CCCCCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl 101366950 NTKJEISIPXDXKC-QFBILLFUSA-N 402.000 5.546 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 102800930 IRCWOZKJYUCHBH-MRJHHRETSA-N 403.865 5.275 30 40 HKEB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260569431 QFOGQIWUGMAPOA-RFWMZAAKSA-N 403.551 5.552 30 40 HKEB C=CCOc1c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cccc1OC 408530416 KXFNLBJKAMBYNN-GZTJUZNOSA-N 401.871 5.154 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408532894 WPTAMZBNHKCUAX-MOSHPQCFSA-N 408.910 5.784 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542014 JANCEYDSNRFJFE-IIELIFRRSA-N 424.544 6.740 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 408560839 FGDCCDTVPKHBNH-UHFFFAOYSA-N 414.497 5.078 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(OCc2ccccc2)cc1 408749303 NMGYZSVEQMDSAQ-FYJGNVAPSA-N 420.921 5.811 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408936605 GYGBIYQDTOJHIR-CLCRJXLZSA-N 410.517 6.281 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)c1 408967796 SEWGXDAWNZZGOB-MXAYSNPKSA-N 415.320 6.328 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1 409202780 SCRPBWAZPJXBQP-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1cccc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409279517 HZAMDXQDNHPZJU-UHFFFAOYSA-N 410.521 5.426 30 40 HKEB N#CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCCC1)Cc1ccccc1-2 2117647 WIHPTGMTQBVUBZ-UHFFFAOYSA-N 419.594 5.474 30 40 HKEB C=CCNC(=S)NCCc1c(-c2ccc(F)cc2)[nH]c2c(Cl)ccc(Cl)c12 3771340 KNQLRGBELUGZTL-UHFFFAOYSA-N 422.356 5.473 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc(OC)cc4)c3c2C1 4953892 HACOCPQNJRFEFM-IZGWQLHLSA-N 422.598 6.077 30 40 HKEB O=[N+]([O-])c1ccc(-c2csc(NN=C(c3ccccc3)c3ccccc3)n2)cc1 5445870 MSTWVOVRPGBAKW-UHFFFAOYSA-N 400.463 5.583 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@@H]32)C1 5833925 PYLBSMLISGOFKG-PHSCTDLPSA-N 418.577 6.144 30 40 HKEB Cc1onc(-c2ccccc2)c1C(=O)[C@H](C#N)c1nc(-c2ccc(F)cc2)cs1 7736549 GJPKRZOUXJMZBD-KRWDZBQOSA-N 403.438 5.403 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1 8654679 CFSCEJGEQFNMTH-MRXNPFEDSA-N 415.449 5.567 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCC=C(C)C)ccc3C2=O)c2cc(OC)ccc21 8765521 LJZLUPXODPGMAT-WYMPLXKRSA-N 403.478 5.631 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1C 14081909 HOQRXXPSOUJUEH-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 50861246 NPBPEHVLNFDQGY-UHFFFAOYSA-N 402.586 6.561 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1Cl)C2 97940022 JCBNXNWCSNWKLE-INIZCTEOSA-N 401.934 6.016 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 219804644 KALSBRBMFYOIDW-SFHVURJKSA-N 416.546 5.708 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2c(OC)ccc3ccccc23)C(=O)N1C 408908484 FGGSNPSSLXDGIA-LBMUFILHSA-N 402.519 5.645 30 40 HKEB F[C@H](C(F)(F)F)C(F)(F)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806429 XUXYPWUEHKOSJJ-GSVOUGTGSA-N 414.108 5.560 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCCN1CCCCC1 756965 FEQGFJDPCQGFKN-UHFFFAOYSA-N 417.553 6.004 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3ccccc3F)nc12 2300586 JXIYZCHEIXOKQT-DHRITJCHSA-N 406.848 5.290 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 3663584 HPEHQJOCQUMZQC-BHGWPJFGSA-N 401.318 6.816 30 40 HKEB C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4281979 CGVPXPQHTVZFKS-ILBGXUMGSA-N 416.908 6.147 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C\c2cccnc2)sc2c1CCCCC2 4545634 MMJQBNFCPJEPAV-QQXSKIMKSA-N 419.550 5.814 30 40 HKEB CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 4622540 OAEHRXFMIBWVHX-VWLOTQADSA-N 423.516 5.997 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4889267 NUCBXIXKYVHAAO-WUQQWCGSSA-N 415.562 5.864 30 40 HKEB O=C(NC1=N/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccccc1 4977276 XMZALFNBXFYLMW-UHFFFAOYSA-N 408.383 5.366 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(C#N)cc2)cc1 6406148 ZZSUVMRNXOZEMK-DTQAZKPQSA-N 405.457 5.316 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3c(O)ccc4ccccc34)sc2-c2ccccc2)cc1 6857886 SIRNTLULCYJMBX-OGLMXYFKSA-N 420.537 7.395 30 40 HKEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195642 HOFFKSZJXDIREA-LSFURLLWSA-N 424.671 5.939 30 40 HKEB COc1ccc(-c2cnnn2-c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 12998119 CWKZZQHVEWJAFF-SYZQJQIISA-N 415.880 5.492 30 40 HKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(NC(=O)c3ccco3)cc2)cc1 44843080 DNTCZFYRWDGDFO-CCEZHUSRSA-N 404.466 5.519 30 40 HKEB Cc1ccc(/N=C2\C(=O)N(CN3CCC(Cc4ccccc4)CC3)c3ccccc32)cc1 96319766 JJWKHLIAUCBBIR-OHYPFYFLSA-N 423.560 5.375 30 40 HKEB CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 100044728 DLZXXNAEQGRWPX-UHFFFAOYSA-N 418.514 8.190 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340851 ZXBBTUJXEBFNHE-CMDGGOBGSA-N 421.718 5.732 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408855733 CVYMTQJQAYMLGD-DGVHBWFKSA-N 410.970 6.523 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 408913930 VHHMQDBDUFWVGQ-OQNHBUHUSA-N 416.546 6.251 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn([C@H](C)CC)c4ccccc34)S2)cc1 408949741 BXIPTNMNWMPGNI-CAUNFOBBSA-N 419.550 5.903 30 40 HKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 408968430 WOTIPYPUXVQSNC-XWCAUFEOSA-N 408.567 6.002 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 409209184 GFYOCRSSMQLBNU-VULFUBBASA-N 414.332 7.030 30 40 HKEB CCN1C(=O)/C(=C\c2ccccc2Br)S/C1=N/c1ccc(OC)cc1 409244405 CDYDQIBPWRZYOH-HWWZFDGNSA-N 417.328 5.082 30 40 HKEB CC[C@@H](C)Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409282915 PNKLQGZSVADIHR-GOSISDBHSA-N 403.526 5.504 30 40 HKEB Cc1cc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1F 409381873 KGCDULZHZKOLDY-RPPGKUMJSA-N 414.839 5.695 30 40 HKEB CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 796458 CHZUDJNZPMMROC-DEOSSOPVSA-N 406.526 5.630 30 40 HKEB O=C1C(Cl)=C(c2ccccc2)N(c2ccccc2)C(=O)[C@@]1(Cl)c1ccccc1 2145152 YCSJNACFRLKMKN-HSZRJFAPSA-N 408.284 5.344 30 40 HKEB S=C(/N=C(/NCc1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 2314977 HMCPKTQUMVPHHG-UHFFFAOYSA-N 421.569 6.346 30 40 HKEB FC(F)(F)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2324472 FPJKSEWINPFALO-UYOCIXKTSA-N 417.243 5.442 30 40 HKEB CC(C)N1CCc2c(sc(NC(=O)c3cccc(Oc4ccccc4)c3)c2C#N)C1 4086962 XMAQAVLIYIQSNE-UHFFFAOYSA-N 417.534 5.431 30 40 HKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 4181718 UAYSIFNVDLISKS-AYHGKFDGSA-N 407.561 6.638 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 7939530 QNMHVHXCZPLATP-YRNVUSSQSA-N 413.300 6.477 30 40 HKEB C#CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9195449 ZOYFEJGXRSYOMZ-FOKLQQMPSA-N 411.716 5.181 30 40 HKEB Cn1cc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 28182484 IUQCXUBSPRIGKS-MSXFZWOLSA-N 415.876 6.027 30 40 HKEB CC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1 59106020 UJOMMZXYIGTBIS-UDWIEESQSA-N 406.438 5.180 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59247760 VDOIJJTVCRSGTQ-NLTKLDOMSA-N 417.505 6.237 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)S2)c(C)c1 59459409 IHZXGAVLXKYAAN-APSNUPSMSA-N 422.293 5.410 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(C)c(C)c3)c(C)c2s1 72228801 DBUMURNYPZPXTN-UHFFFAOYSA-N 410.543 5.355 30 40 HKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc2nccnc12 79112405 MHCCHIXZRPYPCL-CCEZHUSRSA-N 401.469 6.050 30 40 HKEB CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCCCC)cc3)n2)cc1 98045005 ZRXHZJKZIYPKIQ-UHFFFAOYSA-N 418.625 8.429 30 40 HKEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1 102660280 KTPFOKMKQPTEJY-XLVZBRSZSA-N 423.903 5.805 30 40 HKEB O=C1/C(=N\Nc2nc3ccccc3s2)c2ccccc2N1Cc1ccc(Cl)cc1 102984976 BFOCEUISYWPWOL-QQTULTPQSA-N 418.909 5.313 30 40 HKEB CCCCCCCCC(CCCCCCCC)[C@H]1C[C@H]2CCC[C@@H]2[C@H]2CCC[C@H]12 104145461 JSKCOAYGYKRYTA-FYYQJAJYSA-N 402.751 9.956 30 40 HKEB C/C=C1/C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC=O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 141820113 PRHKXDKWFGRXMI-NPBLLZLXSA-N 400.603 5.357 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 408739505 XCTYSWUYFJPKSZ-UNOMPAQXSA-N 414.914 5.113 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)c(OC)c1 408933801 BLCHZHKMDDTQQI-DDIGFMKZSA-N 424.544 6.589 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc21 409104441 ISAXGQDLOUFYHL-XKJRVUDJSA-N 419.410 5.421 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2C)S/C1=N/c1ccc(OC)cc1 409233914 INCZYPHFDNKKGS-XAFFKLEKSA-N 417.534 5.418 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 1098331 VGDLPYFRXIRSSH-RQZCQDPDSA-N 405.306 5.070 30 40 HKEB COc1ccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)cc1Br 3079856 YJBTURJEQLAXIL-ZMOGYAJESA-N 421.294 6.325 30 40 HKEB O=P1(N/N=C/c2ccc(O)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3201897 JKJSPGDXYZNCAX-BUVRLJJBSA-N 402.390 5.621 30 40 HKEB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(C#N)cc1 5242893 SGBVCJZJIMVOTM-MRXNPFEDSA-N 410.502 5.288 30 40 HKEB Cc1ccc([C@@H](Nc2ccccc2)[C@@H](C#N)N=C(c2ccccc2)c2ccccc2)cc1 5614234 KUYZSVXYXUNGMC-XRKRLSELSA-N 415.540 6.578 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 6502245 XCKDFQFIWNPPBA-WLRTZDKTSA-N 405.475 5.959 30 40 HKEB COc1ccc(/C=N/N=C(\S)Nc2ccccc2)cc1COc1ccc(F)cc1 8691610 VIXRIQGAPAYDRJ-ZVHZXABRSA-N 409.486 5.145 30 40 HKEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/C3CCCCC3)ccc12 9193921 XHXJKACJXNLKIT-SSDVNMTOSA-N 406.935 5.441 30 40 HKEB C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 13831730 AARSWYLUVPNJAG-IRXDYDNUSA-N 421.928 5.928 30 40 HKEB Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 13897568 XKHJLSCKUUGNHL-BTRCZGFISA-N 413.502 5.576 30 40 HKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 16711368 QUKMNNOMOJBFTF-NGAXQJCKSA-N 418.478 5.091 30 40 HKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H](c1ccco1)N1CCCCC1 27992015 KALGTGLVQJYOMM-JOCHJYFZSA-N 412.493 5.599 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1O 36108001 BUIXOHZRDUAUAS-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O 109503001 AGDSMUOVIPSLDD-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)N2C1CSC1 223727705 QALDQKBHEBPHHY-CLCOLTQESA-N 420.365 5.395 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226326188 SLOHWAHHHFQHLU-UHFFFAOYSA-N 416.098 5.678 30 40 HKEB C=CCOc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 408852821 ISBLSTHFLCRSAB-YSMPRRRNSA-N 420.534 5.465 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408876466 PACNKUDDLRUCDN-UNOMPAQXSA-N 414.914 5.113 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408939622 NDIXPJAWPROJAV-CRRIZSMVSA-N 418.540 6.584 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408981182 VBQQDBAWMNRENC-UHFFFAOYSA-N 422.444 5.357 30 40 HKEB N#Cc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 409193731 LSJAOVUJNNHIFZ-UHFFFAOYSA-N 421.319 6.176 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409209196 HQCDOVNOMCINAS-DHRITJCHSA-N 413.304 6.070 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409212620 QZNAOVCAEDCMIU-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br 409215454 ZDFYZOIEUAMKDG-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1F 1093464 ORBRYSGGYAQZKF-AUEPDCJTSA-N 415.262 5.475 30 40 HKEB CCCCCCCCCCC[C@@H]1N=C(N)N=C(N)N1c1cccc(Br)c1 1680768 FPOQVODWSVXDGO-GOSISDBHSA-N 422.415 5.146 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 2271833 OCWYOOPJXDFROV-UHFFFAOYSA-N 412.580 5.393 30 40 HKEB N#Cc1ccc(Cn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 4675469 FLASQIBMPQAEKE-UHFFFAOYSA-N 407.189 5.069 30 40 HKEB Fc1ccc(/N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1 6863309 UKBQCWAECQCXAA-KCWIKEJLSA-N 403.259 7.127 30 40 HKEB O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1ccc(-c2ccc(F)cc2)o1 9489389 QPMIVHSSWHTQFQ-PKNBQFBNSA-N 415.445 6.852 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(Cl)c2Cl)cc1 12465938 VZCSYUHRRGNDKC-JJFYIABZSA-N 405.354 6.094 30 40 HKEB Cc1ccc2c(c1)/C(=N\c1ccc(F)cc1)C(=O)N2Cc1c(Cl)cccc1Cl 13397267 SIKLZPJZHWEDIW-YYADALCUSA-N 413.279 6.109 30 40 HKEB CC(C)C(=O)Nc1sc(N/N=C/c2c(F)cccc2Cl)nc1-c1ccccc1 16806592 HQHXPTNHBCCFMU-FOKLQQMPSA-N 416.909 5.643 30 40 HKEB O=C(/C=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 33376642 XHJLHHXYYUYSIH-MNDPQUGUSA-N 420.508 6.741 30 40 HKEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 67259577 RNRZYOOAWYUXTC-UHFFFAOYSA-N 417.921 5.262 30 40 HKEB O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1Cl)c1ccco1 102417315 GPOGMDLVEUPSGC-UFFVCSGVSA-N 419.662 5.404 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccc(C)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 197625419 IZPULDNATKQUHM-JFLMPSFJSA-N 412.445 6.155 30 40 HKEB CCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 408722520 VGLFLPADHDJPPP-UHFFFAOYSA-N 422.525 5.570 30 40 HKEB N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 408750116 KNVSXPKYCAFTLQ-UHFFFAOYSA-N 401.516 5.713 30 40 HKEB COc1cc(Cl)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408882265 NFDMEEPTZKBJMY-IDUWFGFVSA-N 423.321 5.211 30 40 HKEB CN(C)c1ccc(/C=C/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408964506 HKECTAUABQECNT-OYPWNPFHSA-N 418.349 5.507 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3cc(C)ccc3C)OC2=O)cc1 408977623 WVDDDMXQZFXGAM-NKFKGCMQSA-N 404.550 7.024 30 40 HKEB CCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 409080440 NSURZESHGZXOMI-UHFFFAOYSA-N 422.565 6.266 30 40 HKEB COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1 409087870 IHSSGWXDQKCQBL-XHCMJAMOSA-N 412.555 5.547 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(F)c1 409107514 WOIVWRMMZVOVPX-OPEKNORGSA-N 420.366 5.606 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409209895 IACQVIHFVXQUEZ-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 409212981 NSRRRZQAORBUPP-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 409217138 SIEKXRPKZLPMEQ-MFKUBSTISA-N 424.338 6.486 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 409247192 BPVUEPJARQFZAM-UHFFFAOYSA-N 401.378 5.969 30 40 HKEB CCOc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409278622 GKJYIJIFPWATAI-UHFFFAOYSA-N 409.917 5.379 30 40 HKEB Cc1cc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)c(C)[nH]1 409296098 SDXCPXYEWKUXRN-UHFFFAOYSA-N 416.868 5.290 30 40 HKEB CC(C)(C)COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409307568 SZQHFUPIXKVERA-UHFFFAOYSA-N 417.553 5.751 30 40 HKEB COc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409386753 RTMHPMHPADPPMM-ZMOGYAJESA-N 408.523 5.492 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccc(O)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 1086096 ARDHFLQYUYTXPP-LQKURTRISA-N 424.456 5.959 30 40 HKEB Cc1nc(-c2ccccc2)sc1C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N 1394704 RLBLNMQNYASFHY-MSOLQXFVSA-N 403.894 5.402 30 40 HKEB CSc1nc2c(c(-c3ccc(Br)cc3)c1C#N)C(=O)CC(C)(C)C2 2314864 UKYJNGCOVDUKLN-UHFFFAOYSA-N 401.329 5.260 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 4554204 AMZCRDQGRYPGIL-FYDYWCEBSA-N 420.553 6.632 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1 4738840 JJDQFQXFEWUGST-ZCTHSVRISA-N 422.616 7.621 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 5383714 DNYKPVVNDPPTDI-HXUWFJFHSA-N 414.574 6.690 30 40 HKEB C=CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 13014250 ZUKGQPOWBCJQDJ-HNNXBMFYSA-N 423.925 5.322 30 40 HKEB CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1cccc2cccnc12 13142952 CEYLDTRPOARDMD-RELWKKBWSA-N 400.301 5.104 30 40 HKEB Cc1cccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCCCCC3)c(C)c2)c1 16349851 PMCIOUDARAOVHD-UHFFFAOYSA-N 421.544 6.887 30 40 HKEB CCOc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 32984289 ATZPNULPUBIWIF-UHFFFAOYSA-N 419.502 5.043 30 40 HKEB CC1=C[C@@H](CNCc2ccc(C#N)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 35442759 GUHGIPZJKXPPJT-VABKMULXSA-N 420.601 5.426 30 40 HKEB biogenic,in-vitro Cc1ccccc1OCCCN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc21 46085244 MSXDHFIXWDBGCW-VYIQYICTSA-N 419.912 5.280 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 95933190 UQPYXHJTHPHOMM-GXKBHXPCSA-N 416.646 5.539 30 40 HKEB CN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 100507970 XSJDPNYWLVPIJN-VUTHCHCSSA-N 404.513 6.789 30 40 HKEB CCCCCCCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 103956375 ZRPITAVHMRRPIV-OQKWZONESA-N 406.551 5.196 30 40 HKEB C=C[C@]1(C)C[C@]23C[C@H]([C@@H](OC(=O)c4ccccc4)c4ccnc5ccccc45)N2CC[C@H]13 253676202 AUSOAUVQJQLTDO-OSLKDMOGSA-N 424.544 5.562 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccccc1 408928876 FPHNYCDBZBBNNW-LNZXUWDOSA-N 408.567 5.625 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409075826 YHPIJVKWNIIWFF-VCHYOVAHSA-N 420.317 5.795 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C 409210341 KHOSRDQAONIFLT-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB CC(C)(C)C1=C=C=C(C(C)(C)C)C=CC=C(C(C)(C)C)C#CC(C(C)(C)C)=CC=C1 1547138069 IBBRIZYHCDDEKE-UHFFFAOYSA-N 402.666 8.760 30 40 HKEB biogenic Clc1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 3661167 YUAJZWKUVGCQBG-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 4409919 PGEXANHDSDGJGS-MFKUBSTISA-N 415.518 5.940 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 8780938 UIPBDPSZHHSJPB-SDHSZQHLSA-N 419.459 5.110 30 40 HKEB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1ccc(-c2ccccc2)cc1 9244007 WDNCVTUNCNIFGO-PCLIKHOPSA-N 422.517 5.173 30 40 HKEB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2/C(S)=N\c1ccc(Cl)cc1Cl 13686885 SECHNLXDFGYFOW-KXBFYZLASA-N 406.382 5.527 30 40 HKEB CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 19894276 WHDIGURMFDURHY-RUZDIDTESA-N 420.528 6.015 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225670893 ICKRUUPECYXGKK-MOPGFXCFSA-N 409.599 5.535 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 408914338 NVPYCOZOSVIOMB-KMCMYJHDSA-N 410.539 5.415 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)c(OC)c1 408933799 BLCHZHKMDDTQQI-BUHDKZNPSA-N 424.544 6.589 30 40 HKEB Cc1cccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c1C 409217438 UXDRVRYXCTUVKI-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB C/C=C1\C(=O)[C@H]2[C@@H](CC[C@@]3(C)[C@H]([C@@H](C)CCC(=O)O)CC[C@H]23)[C@]2(C)CC[C@H](O)C[C@H]12 584578908 RDCBMNFSJFALPG-DZFKQICLSA-N 416.602 5.242 30 40 HKEB C=CCn1c(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531383847 ALOXTMQMTJTTMQ-MTDXEUNCSA-N 418.500 5.395 30 40 HKEB C=CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2117763 UCNWVUPGNDJUCS-UHFFFAOYSA-N 419.575 6.036 30 40 HKEB C=CCNC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 2285698 NAQZXFPRTQDZLT-MHZLTWQESA-N 410.517 5.042 30 40 HKEB COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCc2ccccc2)cc1O 4727066 OQXQZGIDTHOTGF-CCEZHUSRSA-N 410.469 6.029 30 40 HKEB COc1ccc(C(=N/Nc2nc3ccccc3s2)/N=N/c2ccccc2OC)cc1 4832866 DOYHYYVGZQMJLA-VVEBWWBVSA-N 417.494 5.871 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)nc2c1 6440195 SHOWLYPGVRWFPY-PVLQNKMRSA-N 415.449 6.373 30 40 HKEB Cc1cccc(-c2nnc(S[C@@H](C#N)Cc3ccccc3)n2Cc2ccco2)c1 8345119 SOTZAMFIWRBAQK-OAQYLSRUSA-N 400.507 5.122 30 40 HKEB Cc1ccc(C(=O)/C(=C\c2cccc(Br)c2)c2nc3ccccc3o2)cc1 8735683 UHXYARNNORERIK-XMHGGMMESA-N 418.290 6.322 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)sc1C 9041472 MREMMGBRECSUBI-GOSISDBHSA-N 424.909 5.196 30 40 HKEB N#Cc1c(NC(=O)CO/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 12285395 PBMCYERSUYREPA-OGLMXYFKSA-N 421.456 5.474 30 40 HKEB Oc1c2c3c(noc3c3ccccc13)C(NCc1ccccc1)=C/C2=N\c1ccccc1 17123404 KIXZKHLVUQQMTQ-XHLNEMQHSA-N 417.468 5.952 30 40 HKEB CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nc2ccccc2s1 17995987 SOFAQLYOQLLXOX-HMMYKYKNSA-N 406.330 5.166 30 40 HKEB CCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 19596792 NPRCZSHOVIQOPA-PCLIKHOPSA-N 418.449 5.209 30 40 HKEB Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1 44167562 FDZNECQFRXKGHE-UHFFFAOYSA-N 418.928 5.232 30 40 HKEB CCc1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 58176614 PQZKNXIRCQQJJN-QFIPXVFZSA-N 421.591 5.050 30 40 HKEB Cc1ccc(/N=C2/S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1C 100296971 IFHMQQVQHQUZLT-WZOFUNJYSA-N 401.329 5.300 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc45)ccc3Cl)nc2c1 103753658 DBQGHGAEKRRMSL-MZJWZYIUSA-N 412.876 7.066 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 143261644 KAZJEJREZFTHNY-MTDXEUNCSA-N 407.469 6.381 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)cc1 408743681 UGKGVFZUUVMHHZ-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1C 408918003 DXZBSBCMSKIBLP-PZUCIDFCSA-N 404.491 5.401 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 409068968 VAHYSUGNKSZLHE-CIAFOILYSA-N 413.842 6.058 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(F)cc1 409114117 CKGPNHKGORXCIM-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409216416 IBBCMNKCQQYOOH-VULFUBBASA-N 422.912 5.734 30 40 HKEB COc1c(Cl)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383397 ISNMNSNFHCCMRF-DHRITJCHSA-N 424.287 5.261 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1779585 BDJUXSHFHGIPLS-AREMUKBSSA-N 416.590 5.851 30 40 HKEB C#CCOc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 2369361 ZKMROXCZSBPXER-UHFFFAOYSA-N 420.299 6.359 30 40 HKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 3098470 PRDICNPAULXAFH-FQEVSTJZSA-N 420.336 5.447 30 40 HKEB CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N 3105320 PRHVROALAANMDV-UHFFFAOYSA-N 401.318 5.464 30 40 HKEB CCCCc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 3139266 TUEDFNUBEUXKNR-UHFFFAOYSA-N 412.917 5.062 30 40 HKEB CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@H]3C[C@H](C)C(=O)C[C@]3(C)CC[C@@]12C 8652688 WSTYNZDAOAEEKG-SYZBXZIWSA-N 420.593 6.422 30 40 HKEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1cc(C(=O)O)ccc1Cl 12580058 RGMQWRATHVAKHL-LSFURLLWSA-N 423.687 5.285 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 18145018 PMHJKGPXWRIIGH-UHFFFAOYSA-N 407.514 5.105 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@H]2C)C1=O 20612016 VLNUFZKTWCXVTO-HGQBTHLCSA-N 417.505 5.090 30 40 HKEB biogenic Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1[N+](=O)[O-] 36278158 SMJMPOBFWLRDEO-LBPRGKRZSA-N 405.357 5.022 30 40 HKEB O[C@H](CON=C1c2ccccc2-c2ccccc21)COc1ccc(Cl)cc1Cl 95117249 PDWYILKIOVKTBW-HNNXBMFYSA-N 414.288 5.183 30 40 HKEB CCCCCCCCCCCCOC(=O)C1=C(C)N=C(O)N[C@@H]1c1ccccc1 100926868 GTSLMWBCDUKAHO-JOCHJYFZSA-N 400.563 5.983 30 40 HKEB CCCCCCCCOc1c(Br)cc(C(=O)O)cc1Br 218004034 FKQXSFOYTWRUPF-UHFFFAOYSA-N 408.130 5.649 30 40 HKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 253497808 CNJPGFFQFAETRQ-AVLFTBCPSA-N 410.985 6.226 30 40 HKEB Cc1cc(I)ccc1/N=C\c1ccc(-c2ccc(C#N)cc2)o1 409023774 PFEDMKZDSRUMRS-UUYOSTAYSA-N 412.230 5.482 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409212552 QYHAOAKLYRCTLZ-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330126 AWMBUEQIAGTFOI-ZCXUNETKSA-N 420.497 9.247 30 40 HKEB CCC[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CC[C@@H](c2ccccc2)C1 1771468 BKGGQMPUGWXBMN-KZQYXEPFSA-N 422.592 5.711 30 40 HKEB C=CCOCc1c(-c2ccccc2)nn(C)c1Sc1c(Cl)cccc1Cl 3135135 QUWCMQFSRJZTTD-UHFFFAOYSA-N 405.350 6.248 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccc(N(C)C)cc3)n2)cc1 5003262 NARXVLMTDDFNHK-OVVQPSECSA-N 423.520 5.331 30 40 HKEB CN=C1/C(=C/c2ccc(C(C)(C)C)cc2)COC/C1=C/c1ccc(C(C)(C)C)cc1 12365008 XHUOKONXVVPXDU-FFIYMUHYSA-N 401.594 6.850 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN(CCCC)CCCC)[C@H]3C[C@@H]12 12865402 CURRYBTXBNEGJH-IUSCBXDMSA-N 418.666 5.183 30 40 HKEB biogenic O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3c(F)cccc3Cl)ccc21 13778156 HMPRJLGSEHDWRJ-OGAKRCKNSA-N 406.840 6.231 30 40 HKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1cc(F)cc(F)c1 16972080 DIWNSEKJRXMSCD-FATZIPQQSA-N 410.464 5.374 30 40 HKEB COc1cc(/C=N\Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 31854371 VXCUHURKXTXZRV-MYYYXRDXSA-N 415.518 5.844 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O 59224421 SKZOLPAWNSRXND-NDENLUEZSA-N 411.958 5.449 30 40 HKEB Brc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59303077 UZRSWRPWSHTYQN-UDWIEESQSA-N 404.105 5.753 30 40 HKEB CCc1ccc2oc(-c3cc(N=Cc4cc5c(cc4Cl)OCO5)ccc3O)nc2c1 254506342 XACKNEHPNGSHBS-UHFFFAOYSA-N 420.852 5.896 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)cc1 408757634 BAVIKGVLJZJSSJ-MOSHPQCFSA-N 418.474 5.099 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 408932358 WCTLADGXQYCEAR-LGVXEURYSA-N 417.347 5.214 30 40 HKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408943626 LRFBKOJLKXSYIE-WGARJPEWSA-N 408.929 6.494 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1cccc(Cl)c1 409112486 DACVIQXTHDXGQL-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1C 409200521 HXBGTPMBNJWCSO-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409201656 NHQUCXAQNSSXKF-AEIQVQRHSA-N 410.583 6.319 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@H](C)C(=O)O)cc2)cc1 409229402 OMRNIMPDBRKQMW-FYHAJLKWSA-N 421.449 5.099 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 409326887 FZCCKTSFNISVKC-UNOMPAQXSA-N 415.511 5.195 30 40 HKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)O)cc3)C2=O)o1 980004 RYOCXRWIZSIUDQ-AXBKCQHESA-N 418.474 5.090 30 40 HKEB CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 2071223 KUCAHHPJQIYJAU-NDEPHWFRSA-N 424.588 6.996 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 2124301 KJRKWYATUZJVOU-NOTUOJBMSA-N 408.501 5.196 30 40 HKEB biogenic Cc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)cc1C 2218206 QFXGGIWLVCUSHO-YBNBZSSTSA-N 408.545 6.259 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1ccco1 2413279 FGIRMEMZIOYZHN-UHFFFAOYSA-N 405.841 5.651 30 40 HKEB Cc1ccc2nc(-c3cccc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)c3)oc2c1 3190943 GOZDQSKWPJIIPC-VULFUBBASA-N 423.428 6.321 30 40 HKEB CN(/N=C/c1ccccc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 4812345 NHIBVBBGTGHEFY-LFVJCYFKSA-N 401.560 6.432 30 40 HKEB COc1cccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944866 QYECAEXOGZYHOL-SFHVURJKSA-N 423.484 5.007 30 40 HKEB CN(c1ccccc1)c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 6226889 LEKHHLLWGGHIHC-ZMOGYAJESA-N 404.728 6.861 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=C(Cc1ccccc1)Cc1ccccc1 7141192 OKUKTSRXWFWCSE-UHFFFAOYSA-N 413.399 5.867 30 40 HKEB N#Cc1c(Nc2ccccc2F)sc(C(=O)c2ccc(Br)cc2)c1N 8747812 GOHQOKQALYHBNH-UHFFFAOYSA-N 416.275 5.078 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 12276083 LFVSLWUHJJBRPP-ILBGXUMGSA-N 400.453 5.633 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17093476 UYBMCKFDDZONEQ-CHWSQXEVSA-N 423.321 5.423 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 19867279 NLBZOSFMXFRCDD-HXOBKFHXSA-N 421.924 5.265 30 40 HKEB CSc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](C)CC1=O)N2 22608422 NJKUEUYWKPMZBK-QKKBWIMNSA-N 418.522 5.060 30 40 HKEB CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 36619587 NTWGOOVKOLVKLF-OCGBOYBUSA-N 404.558 5.330 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(C)cc3C)c(C)c2s1 72228797 SHTCUYRUQFGNOB-QQXSKIMKSA-N 424.570 5.745 30 40 HKEB CCCCCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 100540421 ZTDSBMLUPNZLKZ-ZPHPHTNESA-N 419.612 5.572 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C/N5CCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118928915 NGLYMHZNHRUNQT-BAKDASMOSA-N 411.586 5.040 30 40 HKEB C=CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12 226360474 RTFDIFRJMFZIAA-UHFFFAOYSA-N 418.290 6.160 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408861143 NWWZUDLHSRYJFA-YFUWRXDOSA-N 406.551 5.878 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccccc2C)cc1OCC 409215057 ZLZUDLZCRSBFKO-FYJGNVAPSA-N 421.278 5.314 30 40 HKEB C=CCc1c(C)nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c2c1C 2204793 ISVLLAHETJCCQD-UHFFFAOYSA-N 406.338 5.783 30 40 HKEB Clc1ccc(Sc2ncccc2/C=N/OCc2ccc(Cl)cc2Cl)cc1 3105148 NBPMEJCDEHRSFF-BHGWPJFGSA-N 423.752 6.744 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 3162683 YMNIEJZGJAPPCG-MZJWZYIUSA-N 423.343 7.850 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C 4666761 PPBLYMALQBCVFW-OUVATWEPSA-N 402.619 6.518 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 4769588 DNHVTVKDKYLDFF-WZHAGKRUSA-N 400.647 6.808 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)CCc2c[nH]c3ccccc23)c1 6053934 NWGGMHNWSGCBBU-RWEWTDSWSA-N 405.567 5.759 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 9334241 ZXGQZJCKDHMRLI-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)oc(-c2ccco2)c1-c1ccco1 9402972 GEWQIIGWLUSBCQ-UHFFFAOYSA-N 413.216 6.230 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 21722459 VQMVJJDZBHUUKE-DEOSSOPVSA-N 420.965 6.582 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 104260100 MQOCPPQDMPIRFU-DQEYMECFSA-N 410.683 8.139 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)cc1 408767799 OMHFGLBISYXCGA-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1C 408912685 LMKYCPFVURSUGY-SMSCYPBYSA-N 401.875 5.044 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(-c4cccc(F)c4)o3)cc2)cc1 409021009 WUJJJYBSGHLLPB-MFKUBSTISA-N 418.449 6.896 30 40 HKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 409107379 RIHZAXCTXMURTF-FMQUCBEESA-N 421.496 6.963 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 409216149 FRKMMFCMUPUTBD-MFKUBSTISA-N 424.338 6.486 30 40 HKEB O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575361186 TVSQOLIADRRNER-UHFFFAOYSA-N 410.129 5.740 30 40 HKEB Cc1cccc(NC(=O)c2sc(NC(=O)c3ccc(Cl)cc3)c(C#N)c2C)c1C 871507 MCZMOXYJGXKTQN-UHFFFAOYSA-N 423.925 5.703 30 40 HKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 3150194 UVMZUGPWZSCDQK-OEFJELFNSA-N 401.447 5.993 30 40 HKEB CCOP(=O)(N=C(N[C@@H](C)c1ccccc1)N[C@@H](C)c1ccccc1)OCC 3202734 RWGSNFKLDMHYDQ-ROUUACIJSA-N 403.463 5.225 30 40 HKEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 4069851 STNCNGHGIPIYPW-UHFFFAOYSA-N 409.470 5.165 30 40 HKEB FC(F)(F)c1cccc(-c2ccc(/C=N/Nc3nncc(-c4ccccc4)n3)o2)c1 4660105 IJCKAWVUPHXLAP-BRJLIKDPSA-N 409.371 5.263 30 40 HKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 12879554 ABKWXTKLZXQKEX-GFEOOXAPSA-N 410.469 5.898 30 40 HKEB biogenic O=[N+]([O-])c1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3[N+](=O)[O-])cccc12 15635866 YDXOIIKHCHXREZ-RYQLWAFASA-N 424.416 6.157 30 40 HKEB FC(F)(F)c1cnc(N2CCC(=NOCc3ccc(Cl)cc3)CC2)c(Cl)c1 20218513 MHYLXERWDUMEGF-UHFFFAOYSA-N 418.246 5.580 30 40 HKEB CCCCCCOc1ccc(/C=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 20582429 FZLBPZNEDLQKSU-HZHRSRAPSA-N 424.526 6.123 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12 38195885 BISYORYDYANBMY-QRVIBDJDSA-N 403.829 5.304 30 40 HKEB N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 97085020 OVBSZYZGISJOHW-DAMWEWLOSA-N 421.566 5.213 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(F)cc1 100384222 NGXZGZHGIFKILC-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1C(C)(C)CO 104326618 AQHHRCQYBCLIPO-BUHFOSPRSA-N 406.699 7.288 30 40 HKEB Cc1cccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 107384469 HJOGBZJXFLHWCV-UHFFFAOYSA-N 400.532 6.079 30 40 HKEB Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(I)cc1 408778228 CHJOTIPDWNZQFK-HYARGMPZSA-N 414.290 5.318 30 40 HKEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCC(C)C 409044550 GXGDTPKWPBYPEF-UMDHDWCXSA-N 424.744 5.097 30 40 HKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)sc2c1CCCC2 409063282 JXWRLERCXLTFNZ-YSMPRRRNSA-N 420.578 6.270 30 40 HKEB COc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CC(C)C)C1=O 409077834 FZXKCVQCWRYAOW-RSXNERHXSA-N 400.931 5.609 30 40 HKEB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409209655 GZOCAWCUIZJIES-AUEHGNIOSA-N 412.511 5.042 30 40 HKEB CCCCCCCCN1CSC(=S)N(c2ccc3nc(S)sc3c2)C1 1573752 NZWQOABPZYGENM-UHFFFAOYSA-N 411.687 6.001 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1ccc(Cl)cc1 1875598 QLCKARPJDCXLSB-JAIQZWGSSA-N 421.792 5.084 30 40 HKEB N#CCSc1sc2c(Oc3ccc(Cl)cc3)ncnc2c1-c1ccccc1 4050357 IQUVXMQPXJYAHQ-UHFFFAOYSA-N 409.923 6.420 30 40 HKEB C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)Nc1ccccc1S2 4863669 SNIGJSJMSLIRQN-MZJWZYIUSA-N 416.937 6.933 30 40 HKEB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C(=O)[C@H]21 5517862 IRZSCNFOEAMGDU-ZMQMPBSXSA-N 422.594 5.253 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 8741311 RMKGGHOFLCBAIN-AWQFTUOYSA-N 421.638 5.112 30 40 HKEB O=c1oc2ccccc2c(NC2CCCC2)c1/N=C(\O)COc1ccc(Cl)cc1 20533772 ACACORWOBKHXTD-UHFFFAOYSA-N 412.873 5.468 30 40 HKEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)CC1 20650799 SJGUYOMLZSYDDA-JAIQZWGSSA-N 401.865 5.033 30 40 HKEB CN(C)[C@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)c1cccs1 27793375 KBAMJGFBMIDBHE-HXUWFJFHSA-N 402.523 5.067 30 40 HKEB C[C@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 32594139 VYLMEZIBBOVFJJ-INIZCTEOSA-N 407.901 5.824 30 40 HKEB COc1cc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1OC 32642207 WDIPNYIARGNSIG-SSZFMOIBSA-N 420.490 5.074 30 40 HKEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 33324468 HSVFGQFKQOXFHE-HUUCEWRRSA-N 411.889 5.521 30 40 HKEB CCCCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC)cc1 43705851 OPXKELKVCZNZNP-UHFFFAOYSA-N 417.678 8.537 30 40 HKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc(F)c2)cc1 59105791 WQZRSIXHSUZEBI-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB CCCCCCCCCCCCCCCCCC1=NCCN1CS(=O)(=O)O 73200066 MVWFXALASWBBHY-UHFFFAOYSA-N 402.645 5.807 30 40 HKEB O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439696 SDRQLCWKYNSKTI-NHFXJNLRSA-N 423.390 5.332 30 40 HKEB Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408692087 DCQYXWASVXEOPL-FOCLMDBBSA-N 412.916 7.277 30 40 HKEB Cc1cc(I)ccc1/N=C\c1cc(C)n(-c2ccccc2)c1C 408788743 GITOJHDNIJQIFT-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)S2)cc1 408955075 VWLQCIWALMINPB-PXLXIMEGSA-N 417.534 5.384 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)SC1=S 2961492 DUOJXWSYFFRNSC-WQRHYEAKSA-N 419.930 5.445 30 40 HKEB Clc1ccc(Sc2ncccc2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1 3105152 FIXWSJFZSUDLOK-BHGWPJFGSA-N 423.752 6.744 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 4359231 DSDHHPBBRFCSII-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccc3ccccc23)cc1 4526636 ARCXFJATZIPTEF-KOEQRZSOSA-N 400.503 5.700 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 5210884 MRYLNCSGCDJNSY-HWKANZROSA-N 404.306 5.638 30 40 HKEB Cn1c(N/N=C/c2ccccc2OCc2cccc3ccccc23)nc2ccccc21 7343312 HFAGRFQUUXDIDZ-WPWMEQJKSA-N 406.489 5.752 30 40 HKEB COc1ccc2cc([C@H](C)C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 7986645 RTWLSFSMXBNNKQ-HNNXBMFYSA-N 413.502 5.586 30 40 HKEB C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1sc(-c2ccc(Cl)cc2)nc1C 8781560 SAKLQNPZWBUYGG-WYMPLXKRSA-N 420.321 6.398 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 9380493 LTZUAHOVGZYDKS-NRFANRHFSA-N 421.855 5.570 30 40 HKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl 12419524 GNRUTEDWXAQDNU-UYRXBGFRSA-N 419.864 5.272 30 40 HKEB Cc1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1Cl 12566200 HOIANBCNNVMMCD-CNHKJKLMSA-N 418.516 5.325 30 40 HKEB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1C 15913412 NYHNDRWQKONEPY-YHMUTHJVSA-N 418.953 5.996 30 40 HKEB Ic1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1 16921069 WFXWJSNSLNMUGG-XKZIYDEJSA-N 408.242 5.143 30 40 HKEB COc1ccc(/C=C2/CC[C@@H](C)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 16958975 FNEHNMVDEJMKOR-UTJZJESFSA-N 408.494 5.187 30 40 HKEB C(\CCc1ccccc1)=N\Nc1nnc(N/N=C/CCc2ccccc2)c2ccccc12 17418182 LXOFTDWIFKLDTK-RIRMOVKSSA-N 422.536 5.691 30 40 HKEB COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccc(F)cc1 23379256 UWXKLXJBYZTIHC-UHFFFAOYSA-N 417.484 5.198 30 40 HKEB C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)(F)F)cc1 44087945 GQAKYJDFXYXNOH-UHFFFAOYSA-N 406.429 5.725 30 40 HKEB C=CCOc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218872700 DKZBZAVZMVKHLO-UHFFFAOYSA-N 404.304 5.155 30 40 HKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224941674 ORTNOLBBEFBRBB-UHFFFAOYSA-N 411.137 5.682 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccc(C)o3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408722090 DHEMQOKFLKWJNX-ZMOGYAJESA-N 417.490 6.654 30 40 HKEB CC(C)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 408899118 SYESMCFOEXMFLR-UHFFFAOYSA-N 421.581 5.789 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn([C@@H](C)CC)c4ccccc34)S2)cc1 408949743 BXIPTNMNWMPGNI-SITPEIFSSA-N 419.550 5.903 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(N2CCOCC2)cc1 409087367 YNRZTRNRSYMYGE-MTDXEUNCSA-N 416.565 5.447 30 40 HKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccc(F)cc3)c12 409135713 ZQICWVGHRKMRJX-UHFFFAOYSA-N 409.460 5.854 30 40 HKEB CCCCc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 585293445 HLJOOQVBYZJESC-QFIPXVFZSA-N 418.570 5.228 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3cc(C#N)ccn3)c2C#N)C1 603727010 XCJUJVFIFWZWEB-OAHLLOKOSA-N 424.595 5.158 30 40 HKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4Cl)OCO5)c3)oc2c1 868337 BXOYSUGSEULVKK-OPEKNORGSA-N 404.853 6.244 30 40 HKEB O=C1C=CC2=N[C@]3(c4ccccc4)C[C@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 2273166 QWNGNSVEQORLJT-RNWIMVQKSA-N 414.508 5.847 30 40 HKEB CC(=O)/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 2513689 JCYIJPAPNBJPKU-MHWRWJLKSA-N 416.321 5.248 30 40 HKEB N#Cc1ccc(COC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 3399075 YDSUTBBCYZWAMU-UHFFFAOYSA-N 403.290 5.274 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 4628599 FCRDNJYLCIIJLF-ISSOZRQYSA-N 400.503 5.894 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/Nc1ccccc1 5283133 SNZFUKDXXJODHU-YBFXNURJSA-N 410.109 5.222 30 40 HKEB Cc1cccc(/N=C2\S[C@@H](C)CN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 7786043 GNUJPQPBBMRVLR-QEMJGJMLSA-N 410.926 6.174 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2Cl)nc1Oc1ccc2ccccc2c1 8857348 KDVMHRDUBDBMDQ-UHFFFAOYSA-N 424.809 7.238 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)c2ccccc21 9422091 GDWGIIAHJVBGSV-AFUMVMLFSA-N 423.468 5.805 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(C#N)cc1 10119161 DGCKGKPVDDKIOB-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)oc(-c2ccccc2)c1-c1ccccc1 12294932 QPKLBDSVDHEIPV-UHFFFAOYSA-N 408.413 5.466 30 40 HKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 14091787 KQPJJGFYHMYBBB-UHFFFAOYSA-N 420.365 5.663 30 40 HKEB FC(F)(F)c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19808967 WGUMCRAUDFSVIH-STBIYBPSSA-N 421.466 5.427 30 40 HKEB CCN1C/C(=C/c2cc(C)n(C3CC3)c2C)C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)C1 36011770 YIHLOHRONKFZFI-NQGGHMMCSA-N 417.597 5.565 30 40 HKEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 59137108 SWXAOOPBPUIHMG-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB COc1cc(/C=N\C2=C(C)[C@@H](C)N(c3ccccc3)C2=O)ccc1OCCC(C)C 100314501 FQUHQLCBBLUNGV-NLULDLIBSA-N 406.526 5.248 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(OCC)c1O 101512084 OUXSMOJRJWRHPX-ZSICUCBDSA-N 408.523 5.062 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 102568186 URZJLAOXPWSHLQ-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929626 NIHFQZZLWZSIJC-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 408667547 BMQPMENYWJVPGE-UHFFFAOYSA-N 420.553 6.347 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(Oc2ccccc2)c1 408749255 MJNGVDCWXWWIKG-DEDYPNTBSA-N 406.894 6.024 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 408862421 YPCWJGVXBHHBBA-YQHJSQCKSA-N 415.562 6.351 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N/c1ccc(F)cc1 409244856 JQBHEBZETFYQOU-ADWDSYRSSA-N 411.321 5.274 30 40 HKEB Cc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C 870717 XTCDGKZCIYDBGM-UHFFFAOYSA-N 409.898 5.395 30 40 HKEB COc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 3095196 IRLDSZAPTFAZHT-AFUMVMLFSA-N 421.905 6.533 30 40 HKEB Cc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3275339 JVYMTNZPMATYSM-OEAKJJBVSA-N 417.563 5.230 30 40 HKEB Cc1ccccc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4154907 NWNXCHMFFPXDJV-QEUXCTTPSA-N 415.540 7.101 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)c(Cl)c1 4420922 IUFGPWALSFTMHP-QFIPXVFZSA-N 422.355 7.347 30 40 HKEB COc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944868 VXUMUCZBNBAGGV-IBGZPJMESA-N 423.484 5.007 30 40 HKEB N#CCCn1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc21 9469505 QHJRCKZFYDDWEO-UHFFFAOYSA-N 423.472 5.069 30 40 HKEB Cc1ccc(OC(=O)c2cccc(Cl)c2)c(/C=C2\Sc3ccccc3C2=O)c1 13774187 NKDMFMCYZDATDC-BKUYFWCQSA-N 406.890 6.197 30 40 HKEB C=CCn1c(C2CC2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 14182558 QLSAZTYPBTWANU-GOSISDBHSA-N 414.625 5.206 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 100501556 ZJMXIYHLXZGJMG-AMKUCRCLSA-N 403.825 6.472 30 40 HKEB CCCCCCCCCCCCS(=O)(=O)CCCCCCCCCCC(=O)O 104334060 ZMNSGNIYJXEAHF-UHFFFAOYSA-N 418.684 6.918 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1Cl 408589188 DFCAPBAERUPZGA-FOKLQQMPSA-N 418.280 5.860 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OCC 409122225 ZERHLKXMINHDGI-UHFFFAOYSA-N 406.320 5.423 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(Cl)c1 1531276683 OYGDQFWWZGWQLS-VTGBELTLSA-N 418.722 5.208 30 40 HKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1OC 1322487 WEHSKHLHDQTKQO-SANMLTNESA-N 413.517 6.167 30 40 HKEB biogenic Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 3033607 VILWSPTWJFRISY-OPEKNORGSA-N 411.288 6.875 30 40 HKEB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)F)c1 3082695 GCVJRWWEGMSAKP-UHFFFAOYSA-N 409.301 5.545 30 40 HKEB COc1ccc(/C=N/OCc2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1 3341596 CGNUYJMINQIKHN-WPWMEQJKSA-N 403.522 6.122 30 40 HKEB C(=N/Nc1nnnn1-c1cccc2ccccc12)\c1c2ccccc2cc2ccccc12 4380219 DNTBNPFTCCGQKI-WPWMEQJKSA-N 414.472 5.568 30 40 HKEB Cc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)c1 7496097 PERMNJFEANQOML-IBVKSMDESA-N 405.501 5.760 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(C#N)cc1 8812025 NHGOWUPCWWSKSG-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O 8927126 YVNGYSZCNDCJEC-FSJBWODESA-N 423.266 5.722 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)cc2)NC(=O)N1c1ccc(C)cc1 9218934 MAKNJMCOSTZIFW-DEOSSOPVSA-N 422.488 5.050 30 40 HKEB COc1ccc2cc(/C=N/Nc3ncnc4sc5c(c34)CCCC5)c(Cl)nc2c1 9501502 KWCWKOSAFYLWFB-KIBLKLHPSA-N 423.929 5.226 30 40 HKEB C/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 13476079 DGBPNKHBNYQGLD-KEBDBYFISA-N 417.086 5.102 30 40 HKEB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 17088632 ANYWUBGDTFHIDP-KRWDZBQOSA-N 410.583 5.912 30 40 HKEB CC(C)/N=C(/NC(C)C)SCCCCCCS/C(=N/C(C)C)NC(C)C 17162874 TUBHKVHYNYSUDN-UHFFFAOYSA-N 402.718 5.538 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 18197578 SBKWZUOXZNBHTK-SFHVURJKSA-N 420.328 5.092 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1 20763215 XKZOEXWTQMHZNX-CVKSISIWSA-N 424.928 5.450 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 59484359 BEDUSKRHFAZWNJ-WPWMEQJKSA-N 411.574 7.355 30 40 HKEB C=C(C)C1(Br)[C@H]2CC[C@@H]1c1c(Cl)c(Cl)c(Cl)c(Cl)c12 71785910 HWHJKAOEJPWZLV-IOETWPSPSA-N 400.958 6.985 30 40 HKEB CCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)CC)C2 102065600 SYQCSUAOOCSYQR-INIZCTEOSA-N 406.636 6.077 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916184 NJWYLVQOSGELIN-HABLYGLFSA-N 420.637 6.776 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1 408776092 UBYJVFVALSOFCU-KSEXSDGBSA-N 422.153 6.914 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O)c(I)c2)cc1 408904589 LVXNKFIPBGZINX-MTJSOVHGSA-N 416.262 5.155 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408914900 ZPGWKQGYFMNRCV-CFRMEGHHSA-N 404.857 5.697 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)c(C)c1 408932793 FAXAHVUHLRXPPO-YUMHPJSZSA-N 402.538 6.237 30 40 HKEB CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC 408967293 UNPQXWMSBJGNRJ-YBFXNURJSA-N 416.930 5.337 30 40 HKEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 408995942 FVXJVMUOFXFPBX-SSDVNMTOSA-N 411.870 5.442 30 40 HKEB CCOc1ccc2ccc(OCC)c(/C=N/c3sc4c(c3C#N)CCCC4)c2c1 409063233 JENRVKVJUBQXAA-CVKSISIWSA-N 404.535 6.200 30 40 HKEB Cc1ccc(-c2oc(/N=C/C=C/c3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 409360756 PUUPRNLYDASCDA-GXCKHALYSA-N 402.497 7.518 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1nc2ccccc2[nH]1 1554503295 UTZHOEWHHBROLT-UHFFFAOYSA-N 400.385 5.401 30 40 HKEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1102631 PWIWAOBNEBETFB-JOCHJYFZSA-N 400.547 6.157 30 40 HKEB COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl 1826307 GNRUTEDWXAQDNU-CPNJWEJPSA-N 419.864 5.272 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 2452720 XRXUTSINJZVODL-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc(Cl)c1 4137329 FYYBFWJEYZIPTR-ZMOGYAJESA-N 410.857 5.072 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC 4612011 PNPFRVBGVWWTNK-XDHOZWIPSA-N 410.901 5.418 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)S/C1=N\c1ccccc1 4694885 BDYFSJMEIVIFDE-ISSOZRQYSA-N 418.518 5.587 30 40 HKEB O=C(O)c1cc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)ccc1Cl 4698596 CXDCRQIBEXIRSC-WYMPLXKRSA-N 415.276 5.717 30 40 HKEB Cc1ccc2[nH]c3nc(N/N=C/[C@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 4713011 QYIMABHCVGWZOK-VYQPASDNSA-N 402.546 5.621 30 40 HKEB C=CCN(CC=C)C(=O)Nc1cccc2c(NC(=O)N(CC=C)CC=C)cccc12 5600985 NBYVCPLZQZJNIP-UHFFFAOYSA-N 404.514 5.252 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 5902668 LMFVCQPBELSFEE-LBPRGKRZSA-N 407.366 6.330 30 40 HKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 8427905 QEUUACDOVHKGRZ-UHFFFAOYSA-N 416.955 5.544 30 40 HKEB C=CCc1ccc(OCCn2c(-c3ccccc3F)nc3ccccc32)c(OC)c1 8787412 LRCGDMVDXQEYTN-UHFFFAOYSA-N 402.469 5.659 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1 8844521 MNIKUYLNIFCTQB-UHFFFAOYSA-N 421.840 5.791 30 40 HKEB O=[N+]([O-])c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl 9195676 XYGKFHCBCVXVTA-LSFURLLWSA-N 424.671 5.939 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1 12861241 KNLCRICAEAFGMZ-MSXFZWOLSA-N 402.446 5.207 30 40 HKEB biogenic COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1 13004806 QBHAOXRYLWBWEK-UHFFFAOYSA-N 423.390 5.144 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c2ccccc12 15015749 NSOGXAPDJGIUCV-JAIQZWGSSA-N 408.910 5.702 30 40 HKEB CCCOc1ccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 31858844 UNKHWSYBYYRBLB-MTJSOVHGSA-N 416.344 5.807 30 40 HKEB CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663884 QDLXKAHYTXEFRM-SZXQPVLSSA-N 409.570 7.435 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc2c1 100502816 GTPVNJPXUYMCLI-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1ccc2nc(S)sc2c1 100966918 GJKVVOOWRXSZMF-FHLIRTJZSA-N 418.927 5.172 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102576343 QKWZAMFBWULNNQ-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408673436 SCLJXLOFOJEVPR-GOTSBHOMSA-N 424.585 6.002 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 408853587 PYXHMDAJKUYAHE-UCQKPKSFSA-N 405.479 5.538 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408855146 CNLBQVUJFQDEGP-CVKSISIWSA-N 423.944 6.043 30 40 HKEB COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409084622 YGBHFUJGLMXZDG-VSWHYLHOSA-N 402.563 6.683 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409210243 IUTNSGGQQCNEPT-DHRITJCHSA-N 413.304 6.070 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 409216782 LLQLRKPHIVVCRD-WSDLNYQXSA-N 408.723 6.125 30 40 HKEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1OC(C)C 409307924 VLKQVXMRORLPES-UHFFFAOYSA-N 419.525 5.122 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc([N+](=O)[O-])cc3)c(C#N)c2-c2ccc(C)cc2)cc1 409357212 PJNLOMDMVJXSSI-LQKURTRISA-N 421.456 6.761 30 40 HKEB Cc1ccsc1/C=N/c1ccc(Cc2ccc(/N=C/c3sccc3C)cc2)cc1 2895012 CGQMKHOIUUDISU-CTVDDJEBSA-N 414.599 7.518 30 40 HKEB CN(C)c1ccc(/C=N/c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 2996118 NVDGGZFWTSJRMC-DHRITJCHSA-N 409.320 6.353 30 40 HKEB Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 3633677 NFLBDAHSOQBDLM-ACSYHNTCSA-N 416.524 6.610 30 40 HKEB CC[C@H](C)C1=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C([C@@H](C)CC)C1=O 4343191 IBKCFAGOOSRAMP-IRXDYDNUSA-N 405.542 5.085 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 5224679 PSUHWZLQBNTFEV-XRHLQHRESA-N 405.501 6.147 30 40 HKEB COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N1CC2 5425862 QKPHSQLTGLTRCO-HXUWFJFHSA-N 415.533 5.343 30 40 HKEB biogenic CCOC(=O)/C(=C\c1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1 5810751 PQDGUFGMFCIZFM-JWGURIENSA-N 416.473 5.104 30 40 HKEB CCCCc1ccc(-c2csc(-c3cccc[n+]3CC(=O)c3ccccc3)n2)cc1 8844859 CWMLSUGEFPNGLT-UHFFFAOYSA-N 413.566 5.990 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 9109291 GZYBJWUKXKBPNG-JAIQZWGSSA-N 421.792 5.084 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9374359 CJVIZWFXNDQNKE-HXUWFJFHSA-N 424.283 5.776 30 40 HKEB O=C(C/C=N/OCc1ccc(F)cc1Cl)c1cnc(-c2ccc(Cl)cc2)s1 12958430 CFTNQABKSRONNL-KTZMUZOWSA-N 423.296 6.031 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2Cl)CCC/C1=C/c1ccc(Cl)cc1Cl 16970720 KZJYHNUZXHLSFI-SFGFDRCGSA-N 412.143 7.520 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19827813 GBBVCPILLPQFFX-QHCPKHFHSA-N 421.924 5.094 30 40 HKEB CCN(Cc1ccccc1)c1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1 20987357 LKUWDOZEOIPDJC-JWGURIENSA-N 405.567 5.216 30 40 HKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 36351117 LFVSLWUHJJBRPP-NOZRDPDXSA-N 400.453 5.633 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC 83315516 BOMBBRMUOCUISV-WMOWQXFYSA-N 422.550 5.641 30 40 HKEB CCc1nc([C@@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)sc1C 95367724 ANYWAWCYKJYPHB-NSHDSACASA-N 420.321 5.774 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCCCC1 98001615 YGGHZTWWVJKFIT-UHFFFAOYSA-N 421.754 9.257 30 40 HKEB N#Cc1c(SCc2c(F)cccc2Cl)nsc1/C=C/Nc1ccccc1 100418419 QPTMQWKURXMZCK-MDZDMXLPSA-N 401.919 6.182 30 40 HKEB CC/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 100550684 JWRKRPFCABLNRW-PTNGSMBKSA-N 409.121 5.800 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 408753099 LIQDRXQJNJGEQR-HMAPJEAMSA-N 416.502 5.603 30 40 HKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408946652 PHXIPBXFFJRFIV-VROXFSQNSA-N 421.711 6.503 30 40 HKEB CCOC(=O)c1c(/N=C/c2ccc(Sc3ccccc3)o2)sc2c1CCCC2 409077177 CSHLPFRPBVLEKH-OEAKJJBVSA-N 411.548 6.298 30 40 HKEB C#CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OCC 409111272 BXULYZKKWUGVNO-UHFFFAOYSA-N 408.723 5.434 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409209128 HHCBFUORIWOTHU-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409211036 LWEXWSFAKBLHMK-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB Cc1cc(N2CCCC2)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409303946 IRKIIYFTVDWDFR-UHFFFAOYSA-N 414.553 5.235 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1cccc(NCC(F)(F)F)c1 1565673306 STKCDAHVGYXXNG-UHFFFAOYSA-N 405.207 5.211 30 40 HKEB Clc1ccc2nc(-c3ccco3)c(/N=C/c3ccc(Br)cc3)n2c1 3127352 PUJMGEYSSUSFJD-UFFVCSGVSA-N 400.663 5.761 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/N(Cc1ccccc1)c1ccccc1 4925577 YGMRCQCAXUSALO-JVWAILMASA-N 418.903 6.014 30 40 HKEB C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)no1 5621308 BXPXBKMUXPHJIP-BHGWPJFGSA-N 408.763 5.595 30 40 HKEB C=CCn1c(COc2ccccc2Cl)nnc1SCc1cccc2ccccc12 17092857 MMIYJVYTUDPLFY-UHFFFAOYSA-N 421.953 6.142 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 104133157 OKSBHHVVLWQQIC-MOBKVPTQSA-N 401.437 5.069 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329326 FTLRSNHGWDRGHH-UHFFFAOYSA-N 416.098 5.678 30 40 HKEB CCCCCCCCNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 408976302 QNYQNOQENQTZDE-UHFFFAOYSA-N 422.623 6.645 30 40 HKEB Cc1cccc(C)c1N=C1S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1C 409021423 GOBDVVZNTZVMQI-AFKZWVQSSA-N 413.502 5.669 30 40 HKEB N#Cc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 409022449 OKKVHCHWWSIBHD-UXHLAJHPSA-N 406.529 7.037 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 409053892 RSKFVZSAJIUTBN-HMAPJEAMSA-N 402.519 5.681 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 409080145 LYZFMVNIHHRNQY-HTEZIOAISA-N 413.974 5.666 30 40 HKEB CC(C)n1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409091007 OMDBEXVYRGXWTE-BLNASNEQSA-N 403.595 7.057 30 40 HKEB CC(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409297043 KCRHVGMNJAMEBS-UHFFFAOYSA-N 407.473 5.815 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 1212707 RKMLGUSIKMGBIV-LQKURTRISA-N 424.456 5.959 30 40 HKEB CCCCCCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2376029 FXMVISQWOYXFCI-UHFFFAOYSA-N 415.541 5.165 30 40 HKEB Cc1cc(-c2ccc(/N=C/c3ccc(O)cc3)c(C)c2)ccc1/N=C/c1ccc(O)cc1 2832071 AURJOOXMHJZRBA-YAGSLNJISA-N 420.512 6.883 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\Cc1ccccc1 4514392 QGXOAGMWQOLCDK-BEIQUOEZSA-N 409.580 5.329 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1O 9065175 XBSIWIGAUNFYTB-JLHYYAGUSA-N 419.274 6.464 30 40 HKEB CSc1ccc([C@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1 9547491 YWBCUJMUQALNIB-OPAMFIHVSA-N 418.518 5.369 30 40 HKEB N#CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccccc1 12312066 REDZUVBYTPHOSH-UHFFFAOYSA-N 412.518 5.064 30 40 HKEB COc1cccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1 13682421 GYAQLGUUWFQNMZ-JXAWBTAJSA-N 400.390 5.168 30 40 HKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 13894348 QPMQULAXXWBDFK-CIAFOILYSA-N 402.317 5.417 30 40 HKEB CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 28538020 BAHIJPSQSKWCJX-HSZRJFAPSA-N 403.607 6.280 30 40 HKEB C=CCOc1ccc(/C=C/c2cc(C(=O)OCC)nc(-c3ccccc3)n2)cc1OC 40146045 QWWJTXKZBGLVFF-ACCUITESSA-N 416.477 5.064 30 40 HKEB Brc1ccc(-c2nc3ccccc3o2)cc1/N=C/C=C/c1ccccc1 101087092 BTDKTMAADZOXGO-XWJCGCQVSA-N 403.279 6.673 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@@]4(C)[C@@H]3CC[C@]12C 253615004 QGVQZRDQPDLHHV-NPRSZIPDSA-N 402.732 8.326 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1ccccc1 408906892 DYJFSGFGRIUZGM-CRUFNBOHSA-N 416.930 5.371 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C(C)C)cc1 409084187 BUOZHZOEBPBTJY-KKMKTNMSSA-N 400.448 6.077 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC 409210647 KMGGQLNEIQDSOF-UBXTYJAUSA-N 422.594 6.267 30 40 HKEB CCSc1nc(-c2ccccc2)cc(-c2cc(OC)c(OC)c(OC)c2)c1C#N 2260378 QVXCKNSCIQRKLA-UHFFFAOYSA-N 406.507 5.425 30 40 HKEB CC[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 2754590 KQJMZGMPXVAGTP-HNNXBMFYSA-N 414.530 6.011 30 40 HKEB CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1OC 4311581 IUJPFPQUWODQFC-HMMYKYKNSA-N 413.473 5.967 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 4312025 SORJVTOMIBGAMW-FQEVSTJZSA-N 418.518 5.160 30 40 HKEB Cc1noc(C)c1COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 7989635 ZLAWEICLIQVPTB-ZDUSSCGKSA-N 421.522 5.181 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 8277779 RZOQFGPUJNPXKI-DHRITJCHSA-N 400.305 6.640 30 40 HKEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 8959613 ADJGHKVRIHGFCZ-UHFFFAOYSA-N 406.526 5.174 30 40 HKEB Clc1cccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)c1 9194977 YPGLJYQPPNHVRK-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB N#Cc1ccc(/C=C\c2cccc(/C=C\c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 13403151 MNLZMTAAZOKFIN-XEQVNJCQSA-N 422.400 5.587 30 40 HKEB COC(=O)c1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 16194223 VITMHQHZNGOZQP-JVWAILMASA-N 422.440 6.292 30 40 HKEB CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 17088640 ZSVRACVVLPLERU-XYGWBWBKSA-N 410.583 5.839 30 40 HKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 20528889 PPBABPDVOHWTOJ-GSLIJJQTSA-N 401.469 5.096 30 40 HKEB CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408540476 SGULGHQVJCDLAY-CJLVFECKSA-N 424.566 5.854 30 40 HKEB O=C(NC(c1c[nH]c2ccccc12)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 2072447 RVQBIOMTSRUCPY-UHFFFAOYSA-N 404.285 5.057 30 40 HKEB O=C(O)c1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 3084224 UXGNZCQMGPQYAK-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(C(C)(C)C)cc2)cc1 4003179 QERUAXCCVISAJM-MFKUBSTISA-N 403.551 6.219 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4028158 MNGYOFNIAOWXIT-VBZBYZBJSA-N 424.537 5.512 30 40 HKEB biogenic COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OC 4644634 VSDMEWQRTWLOBW-NRFANRHFSA-N 409.526 5.517 30 40 HKEB Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 4663703 WUYTZIWYBDROAP-SANMLTNESA-N 408.501 5.812 30 40 HKEB COc1ccc(C(=O)Oc2ccc(C)cc2/C=C2\Sc3ccccc3C2=O)cc1 4815424 GBQFLSIPSWKLEG-HMAPJEAMSA-N 402.471 5.552 30 40 HKEB CCOC(=O)N1C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 5446693 UWMZCLXPMAEBMW-MJZABRMRSA-N 416.304 5.502 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Cl)c4O)c3)nc2c1 6554901 KIOJDAIOKFSHFG-NKZWWHGNSA-N 418.924 7.426 30 40 HKEB C=CCn1c(C)cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C 6832189 WXIOFWUQOSPGOB-UHFFFAOYSA-N 403.309 5.716 30 40 HKEB C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 87493036 IUJSEAGAJKMVBJ-XJZKHKOHSA-N 410.686 8.153 30 40 HKEB biogenic Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 105262429 QQBKZPLGKBYNRX-DHNQWXAFSA-N 404.558 5.074 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)c1 408592353 XVUJZWKAXFVKRB-ZVHZXABRSA-N 418.522 5.327 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)S2)cc1 408753629 JXLPOERUISEPLP-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N(C)C)cc2)C2=C1CC(C)(C)CC2=O 409210666 KOLLKVNSHYMIAG-UHFFFAOYSA-N 420.597 5.458 30 40 HKEB Cc1c(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)[nH]c2ccccc12 585295081 ZJQLZMFDLOQZLE-UHFFFAOYSA-N 422.536 5.261 30 40 HKEB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)(C)O 669679126 KJKIIUAXZGLUND-HXFZEXAQSA-N 412.658 6.756 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1 729570 DBWYZMNKKHXKKY-AVRWGWEMSA-N 400.547 6.344 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 820513 SAVFYTRXZAKODP-IBGZPJMESA-N 422.352 5.549 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccnc1 1440862 ONOMGONSMOUWHV-HNNXBMFYSA-N 414.427 5.264 30 40 HKEB CCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 1769324 OLPGPNDTKAPGDR-ACCUITESSA-N 424.566 5.728 30 40 HKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)cc1 2221293 NLBVCOVKKAFPFD-UHFFFAOYSA-N 416.937 6.060 30 40 HKEB N#C[C@H](c1ccc(Sc2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl 3117028 WXCIQILFGVFRPM-HNNXBMFYSA-N 406.725 6.243 30 40 HKEB FC(F)C(F)(F)Oc1ccc(/N=C/c2ccsc2)cc1/N=C/c1ccsc1 3239245 MHFSNTZDGGICDW-NBBXXHIDSA-N 412.433 6.548 30 40 HKEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc(O)cc2)c1 4948848 BGHYTIBANANWGK-HSZRJFAPSA-N 413.521 5.395 30 40 HKEB Cc1cc(Br)c(/N=C(/S)SCc2ccc(Cl)cc2)cc1C 6484352 OWMAQXMUOLXBRL-UHFFFAOYSA-N 400.794 6.570 30 40 HKEB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 8334786 WRBQEGYZQABPBA-QFIPXVFZSA-N 418.591 5.603 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)S1 9264964 ANALGJDPODAEQV-XDHOZWIPSA-N 409.898 5.036 30 40 HKEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccc1Cl 12602585 GZECIVIMOFGNGA-OINPPHAGSA-N 406.736 5.045 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1cccs1 14359072 MWHXIPJNGMEQAX-CSKARUKUSA-N 414.486 5.268 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\[C@H](C)c1ccccc1 15945268 PQVQKEMBEVUXHP-NKHLXSDDSA-N 423.607 5.890 30 40 HKEB COc1ccc(O)c(/C(C)=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)c1 33045726 IXBXWALIFPXOHH-DHRITJCHSA-N 404.495 5.217 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 98048303 JQLAPXYNNJRMEF-UHFFFAOYSA-N 411.502 5.926 30 40 HKEB biogenic C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)(C)O 101187138 KJKIIUAXZGLUND-QYOVYPFMSA-N 412.658 6.756 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102587234 DWJGWTFLHPAOEU-YDJIHCHBSA-N 424.283 5.620 30 40 HKEB COc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 108117014 YHIWOJZZNKBPBS-GXHLCREISA-N 405.075 5.152 30 40 HKEB C=CCOc1ccc(Br)cc1/C=N/N(c1ccccc1)c1ccccc1 408818761 YVOHFNSYCQAJGR-JJIBRWJFSA-N 407.311 6.186 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408944733 UVXWPCWZPSDNBZ-CGKZPPRLSA-N 406.529 6.829 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 409095978 JGCLFSBSSSRIMJ-CIAFOILYSA-N 413.842 6.058 30 40 HKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 409209997 IWFVTNIFVNJRIB-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409217771 WMJFNJCSTUQERF-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409240771 HUVQVLRPMVOMGU-OVVQPSECSA-N 420.940 6.882 30 40 HKEB CCc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 2743823 MVMUDYOVHSURKY-CVKSISIWSA-N 422.981 6.846 30 40 HKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 3114352 CMUYFEVOJNPOIS-YSURURNPSA-N 422.828 5.524 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2c(F)cccc2Cl)c1=O 3128323 IEUPFWZDFLSZLO-UHFFFAOYSA-N 406.766 5.247 30 40 HKEB O=C(C[C@@H](C/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 4729106 ZTUCKENGEWCXHS-KBAUQXGESA-N 418.540 6.950 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 4899074 JDNUEOWPQRBVJU-FTTRISJGSA-N 417.534 5.093 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2cc(OC)ccc21 8765162 WYTMOXFNGAVDGR-ZMOGYAJESA-N 417.505 5.939 30 40 HKEB biogenic C/C(=C\C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 13407708 TYWYLEHJUMGPDQ-FMZICQFTSA-N 416.437 6.061 30 40 HKEB CC(C)c1nc(C#N)c(N/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)o1 16736541 DCTDXTOPWKOSRX-FMCGGJTJSA-N 402.483 5.030 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 17125665 GBJXCKYHVWRUGJ-LPYMAVHISA-N 405.504 6.247 30 40 HKEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc2c(c1)Nc1ccccc1S2 34851576 VCKGYHFZQBSLBY-ZUOQFLAMSA-N 402.548 5.773 30 40 HKEB Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 83314215 FBTNHEPBPUOQQV-JTUXUYRKSA-N 415.562 6.115 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5O[C@H]5[C@]4(C)[C@H]3CC[C@@]21C 123230051 AVWJZXUEQFMBRC-HFINCQPQSA-N 402.663 6.456 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OCC 408657566 ILFAMNGFPXOMMV-IZZDOVSWSA-N 405.288 5.151 30 40 HKEB O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)Sc2ccccc21 408810113 IIUBCCKVXYUYNM-QRVIBDJDSA-N 401.918 6.673 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 408910983 IJGWKHGXKXRSTM-AUCMGLCLSA-N 415.902 5.569 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccc(C)cc1 408912171 MEHQIILJXUZTRR-MDIFQPDJSA-N 424.566 5.662 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 408916230 WHCGJIMKEHUTJN-UESVEAJBSA-N 400.931 5.757 30 40 HKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)o1 408962467 SJAFNQCOBOSIRL-KHSCPFDSSA-N 418.474 5.187 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1O 408992336 AGDSSPVXKHVDIG-WGOQTCKBSA-N 422.594 5.874 30 40 HKEB Cc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1Cl 409011728 HIYUAUHEESRJFG-MTJSOVHGSA-N 420.681 5.794 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br 409199493 DSVZGURQPPMTRE-RGVLZGJSSA-N 407.105 5.283 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3cccn3-c3ccc(C(=O)O)cc3)cc2)c1 409228042 SUDIFQUVPKKOJR-YZSQISJMSA-N 412.445 5.727 30 40 HKEB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575362333 GKPPMMDOCGGIFI-UHFFFAOYSA-N 421.028 5.484 30 40 HKEB N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)Nc1ccccc1Cl 1027199 JIYQNRVHMHGSGE-UHFFFAOYSA-N 419.937 5.882 30 40 HKEB CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O 1437001 RRDZBKRAUYEJSL-DEOSSOPVSA-N 420.509 5.233 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 1440188 BHTBXWLCMFOIHB-OAQYLSRUSA-N 419.864 5.137 30 40 HKEB C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4 2271549 RVKCKOBFCDIKDI-UHFFFAOYSA-N 422.579 5.032 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c1OC 2411646 RATMHIFNNORORZ-UUYOSTAYSA-N 422.864 5.552 30 40 HKEB S=C(N/N=C/C1=C(N2CCCCC2)/C(=C/c2ccccc2)CC1)Nc1ccccc1 3268092 WFBIXHFBKGMMCR-YHBSDWMLSA-N 416.594 5.576 30 40 HKEB O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1c2ccccc2c2ccccc21 3647635 KDVUPZMRZSFOPC-IBGZPJMESA-N 418.496 5.605 30 40 HKEB CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4077676 JRIFTFAFJBMMON-DWACAAAGSA-N 408.545 6.790 30 40 HKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 4562004 QQUBFAWTJTXZQP-NIYFSFCBSA-N 414.574 6.532 30 40 HKEB CCOc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(-c2ccccc2)c1C#N 8706705 YNCORBCMDOMINS-UHFFFAOYSA-N 414.490 5.068 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1 8715770 VPYYDXBSZUXNCV-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 12436566 KJJCWLJHZFVLDN-BKUYFWCQSA-N 407.828 5.403 30 40 HKEB COc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 14163727 HOVXOXFKGDFUPX-SHACYNPGSA-N 417.484 5.274 30 40 HKEB S=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccc2ccccc2c1 17836123 GWLUNVUGYRXBEC-QXKKBDLUSA-N 423.566 7.138 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(Cl)cc2Cl)c2ccccc21 18249522 VVMOFZQENBHUEY-JOCHJYFZSA-N 410.325 6.860 30 40 HKEB CCCCCCc1cc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=N)oc2cc1O 21487071 UHCMUDCEYVOSKV-SJJRHDKUSA-N 422.485 5.485 30 40 HKEB CCCCCCCCCCCCCCCCNCc1ccccc1OCCC(C)C 100023536 KKNZUBXSCICZKC-UHFFFAOYSA-N 417.722 8.682 30 40 HKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1O 102417268 XTWSHZUVUYSOQZ-MFKUBSTISA-N 400.434 5.540 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C 102858138 FJIXAXPEIBWPBD-GHNGSUTGSA-N 424.909 5.040 30 40 HKEB C=CC/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1cccs1 102960447 SYLMNIJZPNGWTA-MYVXQKSKSA-N 404.358 5.010 30 40 HKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@]12C)CO5 245228779 FMUVPGOCTWGNEY-DDSGDBNYSA-N 402.619 6.004 30 40 HKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(OC)c1 408721579 UZCOPULBGAXRAG-BKUYFWCQSA-N 409.555 5.050 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408854251 AWOWTQMGRSCEMX-WCUGPCOUSA-N 419.594 5.935 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccccc1 408905839 FNCJMYRWRCOUTA-MNVZFQSXSA-N 401.329 5.463 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408965751 IHGWPXOWMJUMQH-WPWMEQJKSA-N 402.538 6.319 30 40 HKEB CC[C@H](C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409099275 KSGGIDORSAIXJG-DKZNWEEVSA-N 404.392 5.985 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC 409215556 BDQBVNLLQBJUCP-FYJGNVAPSA-N 423.294 5.402 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1 409220796 FYCMFGTWUKBDCP-FYHAJLKWSA-N 421.449 5.099 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 585294662 TVYRVHDYSVBFCA-QFIPXVFZSA-N 418.570 5.084 30 40 HKEB Cc1nn(-c2cc(Oc3cccc4ccccc34)nc(-c3ccccc3)n2)c(N)c1C#N 632650 XSIXJIDROHOVHT-UHFFFAOYSA-N 418.460 5.037 30 40 HKEB CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 720539 CWMCNCWQQCBBOU-CRICUBBOSA-N 415.562 5.794 30 40 HKEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc12 1223966 HKSCLVYLCBBXTO-UHFFFAOYSA-N 415.440 5.473 30 40 HKEB Cc1ccc(C(c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)c2ccc(C)o2)o1 4280950 SJGSJJXVGKDRLW-AFUMVMLFSA-N 416.433 6.034 30 40 HKEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2cccc(Cl)c2)cc1 4498647 JLTBUHYLERQOMI-QVGKIPNLSA-N 405.885 5.339 30 40 HKEB Cn1c(=O)c(C(=O)/C=C/c2cccs2)c(-c2ccccc2)c2cc(Cl)ccc21 4510467 WVZODKFFVLAGLX-ZRDIBKRKSA-N 405.906 5.817 30 40 HKEB Cc1ccc(C2CC(=O)C(=CNc3n[nH]c(C)c3-c3ccc(Cl)cc3)C(=O)C2)cc1 4741618 HESOMWFCDLVTBB-UHFFFAOYSA-N 419.912 5.359 30 40 HKEB O=C(/C=C\c1cc(Cl)cc2c1OCOC2)c1ccccc1OCc1ccccc1 5737072 QMFYJTVIPKIDEU-KHPPLWFESA-N 406.865 5.682 30 40 HKEB N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(-c2ccccc2)n1 7884399 XMNYVNWABFSCDX-RUZDIDTESA-N 419.488 5.235 30 40 HKEB C(/C=C/c1ccccc1)=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 8627091 STBXUDANNKPDBL-NPQBPPGMSA-N 402.541 7.309 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc2C1=O 13778279 MIXYSKQVRAQKJA-JAIQZWGSSA-N 410.878 5.588 30 40 HKEB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C1 13831729 AARSWYLUVPNJAG-CALCHBBNSA-N 421.928 5.928 30 40 HKEB O=C(/C=C\c1ccc(F)cc1)c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1 33376618 CLAFORNURXUTRS-BNNQUZSASA-N 414.354 5.960 30 40 HKEB CCCCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 103168056 UPLHOAGYRVAELG-QHCPKHFHSA-N 411.545 6.807 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409048792 UCRWIHIKZRYPCL-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB CCCc1ccc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295246 ROVZYNMEXXONPN-HXUWFJFHSA-N 407.543 5.426 30 40 HKEB Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc(Br)ccc1O 1293919 MFERJPDLLIEPSR-FOKLQQMPSA-N 408.255 5.417 30 40 HKEB CC(C)(O[P@](N)(=O)Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F 3203037 SEAVDPLPIMWCHD-AREMUKBSSA-N 415.217 5.098 30 40 HKEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 4004539 YYZUDBGFLYKITD-BUVRLJJBSA-N 401.422 5.081 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(C#N)cc1 8811911 XIQMFUXYVJWLNS-JFLMPSFJSA-N 419.912 5.313 30 40 HKEB C=CCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OCC 8811944 OILXTHJENQCKEW-WSDLNYQXSA-N 423.738 5.190 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Br)o1 12278549 YVKYSRUNKVGFSA-IZZDOVSWSA-N 418.099 5.241 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 12958245 RQYHBXUQJWIFCI-BHGWPJFGSA-N 423.752 6.744 30 40 HKEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1[C@@H]1CCCc2ccccc21 13728496 IIABLFJNXHZBCQ-LJQANCHMSA-N 421.953 5.053 30 40 HKEB C(=N\Nc1nc2ccccc2s1)\c1cn(CCOc2ccccc2)c2ccccc12 16490758 SVVVLPJPCVXILH-XYGWBWBKSA-N 412.518 5.776 30 40 HKEB COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 20607802 LYWNEJOPIMJYIT-BXGNBJRRSA-N 414.589 6.937 30 40 HKEB CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797194 FMNSEEBZGHVGLK-QHCPKHFHSA-N 405.498 5.102 30 40 HKEB O=C(/C=C/Nc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 32100174 QHVBMHGRFQRGAX-BQYQJAHWSA-N 415.512 5.674 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@@]21C 36371219 HEWXCDIWMWJHEW-UBYQUXONSA-N 424.717 8.531 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC 408548923 NMJVJOVEJGDCLL-SXGWCWSVSA-N 423.321 5.211 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 408742505 PJABPXFHMOWUKX-DHRITJCHSA-N 424.884 5.071 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)c(C)c1 408935188 MVXUQDYDBMXIGQ-ROTLSHHCSA-N 415.320 6.247 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(OC)cc1 408959640 CJWYBOFAXXDCQA-OUUDUQSLSA-N 421.566 5.309 30 40 HKEB Clc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)c(Cl)c1 408975528 MMKOIHJMUNWUBK-YSURURNPSA-N 424.243 6.800 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])cc1Cl 409054290 UIQGABVKQOAWTQ-FXBPSFAMSA-N 400.843 5.114 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 409076450 AJQYAHBGHTZZIK-JLPGSUDCSA-N 423.443 5.902 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 409202172 PKKNELTVSQBRLA-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C#N)C1 1773536 KMXSCVIVWGYNSY-MRXNPFEDSA-N 410.583 5.840 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 1881341 OTLMCBZBBWDHHN-YSURURNPSA-N 401.224 6.397 30 40 HKEB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2093093 SQQJNLXGVSPXAE-CQSZACIVSA-N 416.974 5.750 30 40 HKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccc(F)cc3)ccc21 2338816 FSNQJAHCOXEILL-MSXFZWOLSA-N 400.405 5.340 30 40 HKEB CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2772415 CHQNTAMVGGXQIR-JOCHJYFZSA-N 420.553 5.341 30 40 HKEB CC/C(C)=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 4844281 ZRTBQIULPYUWAF-YRQCHPQVSA-N 422.598 5.796 30 40 HKEB C=CCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21 6752546 RVMFYKCRVKDZIN-UHFFFAOYSA-N 411.534 5.749 30 40 HKEB C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl 9483236 XCOWJGPHCQKVJQ-HNNXBMFYSA-N 423.944 5.242 30 40 HKEB COc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2Cl)cc1 12522652 XXSVDZBTKLYAPA-UHFFFAOYSA-N 419.897 5.014 30 40 HKEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C(C)C)cc1 12602583 NXBBWICCVCZDMC-STRHTSDCSA-N 401.482 5.354 30 40 HKEB Cn1c(Cc2cccs2)nnc1SCc1ccc(-c2ccccc2C#N)cc1 14201008 KFHBZBBMUSMQEW-UHFFFAOYSA-N 402.548 5.298 30 40 HKEB COc1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1OC 14246514 SJAHFWBBDARGDD-UHFFFAOYSA-N 404.491 5.120 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OCC)cc1 100025458 UDNNYDMTEIWGRO-UHFFFAOYSA-N 410.558 6.417 30 40 HKEB CCCCCCCCCCCC(=O)c1cc(C)cc(Br)c1OC(C)=O 100928103 CRMIMFBXGQUJAU-UHFFFAOYSA-N 411.380 6.786 30 40 HKEB COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC 100954046 GPIBJPPJZRUUEI-MYYYXRDXSA-N 420.534 5.647 30 40 HKEB CCCCCCCCCCCC(=O)O[C@H](C(C)C)[C@@H](OC(=O)C(C)C)C(=O)O 205511108 FLVBOVQKMCPBFE-WOJBJXKFSA-N 400.556 5.128 30 40 HKEB biogenic,in-vitro COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)c(Cl)c3)c3ccccc32)c1 408540714 BDJBMJUBWHGXEY-UVHMKAGCSA-N 420.871 6.019 30 40 HKEB CCn1c(N/N=C/c2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 408692906 YCPGAHASTTUYFF-MFKUBSTISA-N 404.901 5.735 30 40 HKEB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 408783999 RHAKNHLKISEQAM-WSDLNYQXSA-N 418.253 5.588 30 40 HKEB CCCCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)c1 409071793 PPLLMYHEIRSLPJ-MIIQOVFOSA-N 424.522 5.188 30 40 HKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccccc1Cl 409085180 RNIOGNCYZLBZSB-UNOMPAQXSA-N 411.885 5.362 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc(F)cc1 409119894 RJSFADJCWNLQOS-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)cc1 409187464 QRZDVIIYAPMNSD-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1C 2239540 BEVHYSLSKNODAD-UHFFFAOYSA-N 420.582 5.468 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4369757 MNGYOFNIAOWXIT-TYDNGALESA-N 424.537 5.512 30 40 HKEB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#Cc1ccccc1 4478258 NRUFSPVVXJCGNK-RBYKNZBFSA-N 409.573 5.907 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1C 6814994 LHSSGKPVKFAQCK-FYJGNVAPSA-N 419.525 5.742 30 40 HKEB CC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc2c(c1)OCO2 15910651 UQZDMROIHPKMNF-CVFFEZMYSA-N 420.321 5.055 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C\c2ccco2)C(=O)N1c1ccccc1CC 19827974 RPYYSOZAOIITOP-WMOWQXFYSA-N 402.519 6.213 30 40 HKEB Oc1ccc2ccccc2c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19861272 JHSXJPYGYWOSBK-VUTHCHCSSA-N 419.528 5.267 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(C)cc(C)c2)NC1=O 59426822 NCUHLYSXIVFGKP-HMAPJEAMSA-N 402.519 5.747 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1sc2ccccc2c1Cl 59500705 ZUJSWDXOHIXAKS-ZMOGYAJESA-N 407.878 6.230 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(C)c(Cl)c3)c(C)c2s1 72228652 BGGOKASPIACFSD-UHFFFAOYSA-N 400.935 5.935 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(OC)cc1 100505586 AOTCBWPEVLCLLV-ZCGWOIPMSA-N 423.563 5.245 30 40 HKEB Cc1ccc(Sc2oc(/C=N\c3ccc4c(c3)OCO4)cc2Br)cc1 101746967 JMJQIPGCBWOGHS-FBHDLOMBSA-N 416.296 5.981 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Br)cc(Cl)c2O)sc(C)c1C 102544348 KOEITPZMHZSCAG-FBCYGCLPSA-N 416.724 5.414 30 40 HKEB Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1C#N 408595021 VIMDQKSVAWDKBT-MUFRIFMGSA-N 404.473 5.292 30 40 HKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409212546 QXDYXWZDUSCJRH-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409215534 ARIMMNYDQMQWLW-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccs1 409293983 KNMUOSVQGJYFCH-UHFFFAOYSA-N 405.866 5.407 30 40 HKEB CCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 4543845 LKUUYSXRSDLPGQ-HHHXNRCGSA-N 411.545 6.938 30 40 HKEB COc1ccccc1[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1OS(=O)(=O)c1ccc(C)cc1 5052388 CTIKJEGHAWYEMW-QTGUNEKASA-N 416.583 5.708 30 40 HKEB C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1OC 9255935 APNVRWUYSKAZHZ-UHFFFAOYSA-N 404.495 5.087 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 10119087 OAPOQUSPFVBNKY-JFLMPSFJSA-N 412.892 5.581 30 40 HKEB O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)Sc2ccccc21 18193042 VGDTVMFDEWMPCS-SRZZPIQSSA-N 413.325 6.902 30 40 HKEB C[C@H](Nc1oc(Cc2cccc3ccccc23)nc1C#N)c1cccc(C(F)(F)F)c1 72427666 PWUFWXKIYYFLML-HNNXBMFYSA-N 421.422 6.482 30 40 HKEB CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O 100017284 LSDULPZJLTZEFD-UHFFFAOYSA-N 414.586 6.864 30 40 HKEB in-vitro CCCCCCCCOc1ccc(/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 100066872 KIKRTEQLPSWZNG-LHLOQNFPSA-N 423.557 6.685 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 100744438 ZKIHPMHVQZGSRY-XUNWNIEYSA-N 420.658 5.052 30 40 HKEB biogenic CCCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccc(C)cc1 408912912 OQGMMLMDZDCADW-RAFWRMIMSA-N 422.550 5.576 30 40 HKEB CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2CC)cc1 408962679 ZYTLVOCUSNSJAK-OUUDUQSLSA-N 421.566 5.309 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 409094677 FYZMNIJBKYKCJV-DEDYPNTBSA-N 413.470 5.026 30 40 HKEB C=CCN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409122612 AFOPQCANLRZHEI-KGENOOAVSA-N 418.880 5.151 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409211480 NJPUNSQRDFSHCS-HYARGMPZSA-N 407.382 5.445 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 409245762 YUUGBZGRBKRXTA-DIRPYQRSSA-N 421.497 5.249 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)CCOCCC(F)(F)C(F)(F)C(F)(F)F 1565659613 BCOSIKAACKTODY-UHFFFAOYSA-N 410.145 5.449 30 40 HKEB CCCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 5454861 VXFVHIBLECYUBO-UHFFFAOYSA-N 416.956 6.514 30 40 HKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 5465165 NCLDJZWVSCVQNT-RGVLZGJSSA-N 402.317 5.417 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 5596282 KHWMMNOVUASODC-ALOBBOQISA-N 419.609 5.639 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 6245906 DRVGHOIREPWEJL-RUZDIDTESA-N 404.510 5.392 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(C)c1 8780997 BZSGEMHKYMWJAK-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Clc1ccccc1CN/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 8811551 VDEFIMPWJDWXJQ-MZJWZYIUSA-N 408.332 6.120 30 40 HKEB COc1ccc(CCNc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 12418865 JBZWFNHJKUPGHR-UHFFFAOYSA-N 415.449 5.048 30 40 HKEB CC(=O)Nc1sc(N/N=C\c2c(F)cccc2Cl)nc1-c1ccc(C)cc1 26770237 FRQRJDQIBNFVLX-YVNNLAQVSA-N 402.882 5.315 30 40 HKEB CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 32984251 NEKUEMHPUJKBFX-UHFFFAOYSA-N 417.530 5.516 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccccc1 39940602 RPRKKRXTXMCCKB-UFFVCSGVSA-N 405.310 5.521 30 40 HKEB Clc1ccc(-c2csc(N/N=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 59387403 ZQWKCQQTSSDUNP-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 101433945 UTTKTFFMPYZHJB-GVPYCIPCSA-N 418.949 6.187 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102899622 PXKXUBYATLLJIS-ZEVJAHDQSA-N 424.690 5.978 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-] 103621801 GQOFUYZAMTVGQX-UHFFFAOYSA-N 405.579 7.762 30 40 HKEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1cccc(Cl)c1 139238415 JBIBHSTXVBJSKU-LTDHIUBMSA-N 413.955 5.622 30 40 HKEB Fc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1 408811548 AAAOKGBQAYCSHG-NDZAJKAJSA-N 419.503 7.001 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 408854248 AWOWTQMGRSCEMX-MRWPGVCLSA-N 419.594 5.935 30 40 HKEB CCOc1ccc2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409106263 QPZNIPXWFPSVDV-WYMPLXKRSA-N 403.360 5.612 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1Cl 409118264 NOCRKIQLKLGDGF-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br 409210307 JHJDCCXYEGXJHD-RGVLZGJSSA-N 411.137 6.059 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@H](O)C(C)(C)O 584569303 FCKJYANJHNLEEP-ZBCXFVGLSA-N 416.646 5.705 30 40 HKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1Cl)CCCC3 1249282 GPSKPAWGKRXMDI-LSHDLFTRSA-N 404.691 6.184 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 2055434 CDEVEDPYJSIJBR-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB CCCCCCCCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3024327 IULCROMGPXOVEZ-UHFFFAOYSA-N 401.506 6.380 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2cccc(Cl)c2Cl)c(O)c1Br 3079617 WWNUSEZJDZZQAC-CGOBSMCZSA-N 407.522 6.482 30 40 HKEB N#CCCCSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 3449887 PAOWQHSRGPLZEY-UHFFFAOYSA-N 413.502 5.574 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC 4415939 SQQYPOGEWVFIGH-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 5051938 BNIDZXQJBOWZRK-DEOSSOPVSA-N 403.481 6.230 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(Cl)cc1Cl 6077214 XTERCXBFWUVQFD-HSZRJFAPSA-N 423.343 6.851 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C 10118977 FZOOVALGZUZZIT-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 12039735 QYXXGSFTXSZJGS-DNTJNYDQSA-N 423.281 5.480 30 40 HKEB C=CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl 12889061 SDUKJGYAZFRXRR-UHFFFAOYSA-N 424.357 5.411 30 40 HKEB Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13552727 UPFGHIIEFMGXHU-LHSJRXKWSA-N 424.859 5.439 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Br)c1 15224776 QWQKWSVYFHVHLI-AWQFTUOYSA-N 415.199 5.097 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 18145422 TZDPBRQPCOWHGN-HSZRJFAPSA-N 418.512 5.377 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)cc1 33324449 KGMNPXPPQQOPSM-UHFFFAOYSA-N 421.840 5.791 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(NCCc3nc(-c4ccccc4)no3)o2)CC1 35671834 AQRDEIYDCUSTPS-UHFFFAOYSA-N 419.529 5.715 30 40 HKEB CN(C/C(O)=N/c1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccc(F)cc2)o1 82107521 DULISFNLEKVNNF-UHFFFAOYSA-N 408.260 5.508 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)c2C)cc1 83309681 UYIGRWLFAPSFDB-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 253607954 BCURXPBCRVGFAN-UCGXPXSYSA-N 416.646 7.824 30 40 HKEB C#CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556891 KSGVDJISQMBKTQ-FQEVSTJZSA-N 422.333 5.183 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408594072 RXPGTHZEUUHKMU-AFUMVMLFSA-N 421.294 5.450 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408960076 JAXVNGZOZDIJFE-CFRMEGHHSA-N 424.294 5.785 30 40 HKEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccc(Br)c(Cl)c1 409010123 JPQHZROTHLTQIM-HPMVXJKBSA-N 421.747 5.726 30 40 HKEB C=CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 409047780 NCGXYQXWTSOSEG-LICLKQGHSA-N 423.438 5.668 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(C)cc1 409111431 CGOAONGDDZJRSZ-UHFFFAOYSA-N 415.577 6.930 30 40 HKEB Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)c1C 409200022 FLFNCYPNKGFNIL-YZSQISJMSA-N 415.514 5.975 30 40 HKEB COc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1 409210383 KSRAOAJYZOZQBH-KOEQRZSOSA-N 417.486 5.367 30 40 HKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409211861 KJHWQXNCYBUMSC-ZMOGYAJESA-N 424.294 5.785 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3ccc(O)c(C(=O)O)c3)o2)c(Br)c1 409246535 CMWWMRNMGYCOJG-FBHDLOMBSA-N 400.228 5.172 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409340109 QNYXVYWVJLQEHT-QNGOZBTKSA-N 403.528 5.810 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 1069388 CQXLLTANEFKFQP-QFIPXVFZSA-N 410.433 5.116 30 40 HKEB Cc1ccc(C)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 1577906 ZTXOKOINVVTFSJ-UHFFFAOYSA-N 406.528 7.409 30 40 HKEB C=C(Cl)Cc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O 1677704 NZPFXUVPFXIEEW-VXKWHMMOSA-N 419.392 7.375 30 40 HKEB CCC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 4888672 MWGUENIFBORDOX-JGTLJEJISA-N 415.562 5.782 30 40 HKEB COC(=O)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195562 PTSWUFZIMLMOKR-FOKLQQMPSA-N 403.265 5.164 30 40 HKEB CC(=O)Nc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 12416636 QAFSCLJGTWWAAG-XMMPIXPASA-N 422.488 5.167 30 40 HKEB N#CCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20239947 ZNURWVVCYZZQQY-UHFFFAOYSA-N 423.560 5.460 30 40 HKEB C=CCc1c(C)nc(-c2ccccc2)nc1N/N=C\c1ccc(Br)cc1 33389032 FNWPWQIDILMVBL-UCQKPKSFSA-N 407.315 5.389 30 40 HKEB CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 35442667 XFNSAVPPCRTJAG-VABKMULXSA-N 406.574 5.288 30 40 HKEB biogenic,in-vitro C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087811 NJDZFFZTGLXNJW-UHFFFAOYSA-N 405.401 5.744 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3C)nc2c1 100502237 MEJISHGLLIWGEW-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N\NC(=S)Nc2cccc(C)c2)c1O 104276375 KFENKUVOVKNVQH-MKRFAJQFSA-N 419.510 5.445 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225048251 OFMLYSOZEHCRKR-UHFFFAOYSA-N 415.514 6.013 30 40 HKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1F 408589324 DSFRNCUEZSESSU-VULFUBBASA-N 417.440 5.596 30 40 HKEB CCCCCCCCCCCC(=O)N1[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 408678635 FWFVRJATXGFADH-VEPNZUSMSA-N 405.582 6.742 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 408945779 XHNNCTIKEIHCFW-KHPGZEOPSA-N 414.936 6.931 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409211429 NPHVRSYBIDPTGQ-BRJLIKDPSA-N 404.268 6.471 30 40 HKEB CCOc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409213916 VHWSQPUKJBQYIR-CVKSISIWSA-N 422.912 5.815 30 40 HKEB O=[N+]([O-])c1cc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1Cl 409231423 KEEAPRJTQZNSML-MXAYSNPKSA-N 407.832 6.141 30 40 HKEB C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 409356816 GSMDPDGAQRDPNK-ATVHPVEESA-N 416.296 5.255 30 40 HKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 676798 NEYVEJUKPTULDV-WXTAPIANSA-N 414.480 5.814 30 40 HKEB Cc1ccccc1[C@@H]1C(/C=N/Nc2ccccc2)=C(c2ccccc2)Oc2ccccc21 2283292 ITULBBUZRBTQIP-LUJVFJMUSA-N 416.524 7.029 30 40 HKEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 2453937 SALBAGSVEAJMCK-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB Cc1cc2nc3c(C#N)c4n(Cc5ccccc5)c5ccccc5n4c3nc2cc1C 3192101 LJEQYFODHZDPQV-UHFFFAOYSA-N 401.473 5.527 30 40 HKEB C/C(=N/Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 5002841 DMVDDXFIFIBCFN-MWLSYYOVSA-N 416.887 6.439 30 40 HKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccs2)n1Cc1ccccc1 6849692 DYAOGRZDIGYXIP-LJQANCHMSA-N 402.548 5.282 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)nnc1C1CCCCC1 7633889 KDQLKXRVQMQYOF-INIZCTEOSA-N 410.587 5.120 30 40 HKEB Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n(C2CCCCC2)c1C 8134820 DNQLAUSBQSIPOT-UHFFFAOYSA-N 414.600 5.158 30 40 HKEB C[C@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12554781 NHEIDGFLMBKUPU-KRWDZBQOSA-N 422.598 5.318 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCc2ccccc21 13072285 OVNXOJYQEMOJIH-SDNWHVSQSA-N 424.250 5.830 30 40 HKEB COc1ccc(-c2c(C)nn3c2NC2=C(C(=O)C[C@H](C)C2)[C@@H]3c2ccc(C)cc2)cc1 14163766 KXFFLJNLIOPALN-CPJLOUKISA-N 413.521 5.444 30 40 HKEB N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)CN(Cc1ccccc1)CC2 18241842 AJSJGVXKTDXNMB-UHFFFAOYSA-N 409.320 5.068 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CNC(c3ccccc3)c3ccccc3)c2C#N)C1 58131725 UFSKRERQSSKIFU-KRWDZBQOSA-N 415.562 5.062 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(F)cc1 100283955 MAUUAQVNXSXMSX-UHFFFAOYSA-N 421.641 7.582 30 40 HKEB CCCCCCCCCCC(CCCCCCCCCC)[C@@H]1C[C@H](C)CC[C@@H]1C 104145418 UPYOZECJBFFKFT-IUAQSZDVSA-N 406.783 10.737 30 40 HKEB C#CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344700 BTMXRGPLFDLCEE-UHFFFAOYSA-N 424.081 5.089 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 408533869 SQXMIRWPHPFEGB-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB COc1ccccc1/C(C)=N/Nc1nc(-c2ccc(Br)cc2)cs1 408737144 LESVXFPEBWODIB-CIAFOILYSA-N 402.317 5.417 30 40 HKEB COc1ccc(-n2cccc2/C=N\c2ccc(I)cc2C)cc1 408952165 KSJLZACWAOTDIN-BKUYFWCQSA-N 416.262 5.150 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(I)cc1C 408962671 ZWUYGOQVLKNKTF-BKUYFWCQSA-N 404.295 5.259 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409113773 ISYNRZMFJBGKGD-UHFFFAOYSA-N 400.305 6.963 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2cc(C)n(C3CC3)c2C)C1=O 409125165 DFWVRCRUEPQSSU-MOSHPQCFSA-N 422.550 5.292 30 40 HKEB CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC 409199380 CPMCWIRSGVKVMX-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC 409200221 HBJIQPWNTMUHMD-FYJGNVAPSA-N 421.278 5.178 30 40 HKEB CCCCSc1ccc(C#CCCC#Cc2ccc(SCCCC)cc2)cc1 2049144 AATSFJXTXSBSNF-UHFFFAOYSA-N 406.660 7.654 30 40 HKEB COc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1 4595644 JBVQCLVMZIMBDO-YZSQISJMSA-N 410.477 5.274 30 40 HKEB CCOc1cccc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1O 4698773 JDVSKDIHWVQECX-AFUMVMLFSA-N 406.869 5.927 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 4889266 NUCBXIXKYVHAAO-DHPWMCHXSA-N 415.562 5.864 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc([C@H](C)CC)cc2)CC1=O 4910271 FQOLFFWWMQNTQZ-TZIWHRDSSA-N 417.553 5.131 30 40 HKEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)CCc1c[nH]c2ccccc12 6053951 DSBDDUVYXXGDGJ-LCUIJRPUSA-N 405.567 5.877 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 6149633 FABDSMWLMZRMSM-NRFANRHFSA-N 411.929 5.807 30 40 HKEB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccccc1 6840816 WQYQMVNTBPRVBN-LBPRGKRZSA-N 413.852 5.181 30 40 HKEB COc1ccc2c3c(ccc2c1)[C@@H]1C/C(=C(/OC(C)=O)C(F)(F)F)C(=O)[C@@]1(C)CC3 8615165 YIODTVGTQJKFMM-QGPSGZEKSA-N 418.411 5.237 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)O)c1 9305565 AEXYKTOTAIISGB-ZUJMPGSOSA-N 421.305 5.316 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)c2ccccc21 9422862 OEINLENMCRFSAI-CVKSISIWSA-N 423.512 6.473 30 40 HKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2ccccc2c1 12362242 NAHGGULQIGPSGW-MWAVMZGNSA-N 417.556 5.951 30 40 HKEB C=CCSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 13284504 ZXAPLZDNUCNQBB-UHFFFAOYSA-N 415.547 5.321 30 40 HKEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 20604630 OTIURABMRLAEGA-UHFFFAOYSA-N 403.838 5.041 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 28182536 RIEISXWLFJQRSI-WGARJPEWSA-N 423.512 6.299 30 40 HKEB O=C(/C=C/Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 32100238 OJQVNTUUSLERGT-OUKQBFOZSA-N 412.714 6.578 30 40 HKEB CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 70687509 COVRGLNJQIFMIC-FOHRATBMSA-N 418.581 5.673 30 40 HKEB biogenic COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(Cl)c1OC(C)C 95953454 BOPOEJKNLGVQIZ-UHFFFAOYSA-N 404.919 5.394 30 40 HKEB COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1O 100505820 JUZHMUCBQSKXFC-FOKLQQMPSA-N 424.254 5.117 30 40 HKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N/Nc1cc(C)ccc1C 100538407 MCNPJRXRYVFMDS-NCELDCMTSA-N 423.929 5.271 30 40 HKEB CCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 104053569 ANBFBOGYAIQPLK-UHFFFAOYSA-N 400.606 8.136 30 40 HKEB O=C(N[C@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104125997 AKQQYZOQDLATEW-HMHIXTCJSA-N 417.723 6.195 30 40 HKEB N#Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226339651 IJXBQSUBGKONGK-UHFFFAOYSA-N 401.485 5.316 30 40 HKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@H]12 253497841 OCCYLBDLKHPVGI-XUKXVKOTSA-N 413.001 6.306 30 40 HKEB biogenic C=CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 408530460 JLBBLDGOIIWXPM-UHFFFAOYSA-N 416.473 5.357 30 40 HKEB C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1CC=C 408779826 LOMRAASMRMSJIM-FVIVVMBBSA-N 406.551 5.142 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c1C 408872886 KQBNRRTZDMCRDQ-BKUYFWCQSA-N 419.525 5.742 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(C(=O)O)cc3)cc2)cc1 408932730 YWKYNMNAPASAHV-YZSQISJMSA-N 412.445 5.727 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409213066 SEEIUZLDGISRGX-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CCCCCCCCCCCCC/C=C/[C](O)[C@H](CO)NC(=O)CCCCCCC 1560404575 HXMYTPZZVGOMJB-DEOSSOPVSA-N 424.690 6.986 30 40 HKEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1 703884 JZZPTOJZOCXKPD-UHFFFAOYSA-N 407.267 5.005 30 40 HKEB N#Cc1c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12 1384876 FJHFUGOGSYYQSC-UHFFFAOYSA-N 407.364 5.597 30 40 HKEB CCCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCC3)cc1 1792345 GAOUQEKBOCAARI-UHFFFAOYSA-N 412.580 5.588 30 40 HKEB Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)ccc([N+](=O)[O-])c1C 2188208 MFPMDDPHTPLZAA-WYMPLXKRSA-N 405.479 6.034 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1/N=C\c1c(Cl)cccc1Cl 2373117 HHAARQIKVDZYRB-SCDVKCJHSA-N 418.136 5.730 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c(OC)c1 2405283 PZWGTUCYWZWIST-KSEXSDGBSA-N 422.864 5.552 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2C)C2=C(CC(C)(C)CC2=O)N1 4168307 BNYGASRQLYQYGQ-XMMPIXPASA-N 414.549 5.546 30 40 HKEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1 4212024 IFJDUIWFVXRKQI-UHFFFAOYSA-N 412.518 5.415 30 40 HKEB Cc1cc(Br)cc(/C=N\c2cccc(-c3nc4ncccc4o3)c2)c1O 5336851 ZWUMJTYXLXOODA-KSEXSDGBSA-N 408.255 5.417 30 40 HKEB CCN(C/C=C/CN(CC)/C(S)=N\c1ccccc1)/C(S)=N/c1ccccc1 5807506 PZWQFRUAFNJHSA-VAWYXSNFSA-N 412.628 5.421 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 9135532 LGGLBJQXWAPTNH-LEZKGFNYSA-N 413.448 5.317 30 40 HKEB Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccccc1 9197762 OADWOUCFWBFFDV-MZJWZYIUSA-N 422.359 6.429 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C#N)o2)cc1Cl 16313030 LJTPEZAVVNGONL-PKNBQFBNSA-N 421.909 5.307 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccc2C)CC1 32099565 XYGWCBSUIQXYIT-UHFFFAOYSA-N 423.564 5.173 30 40 HKEB CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=S)N1c1ccc(C#N)cc1 33435870 NUKGVUKASKXCGQ-KZLURRSOSA-N 408.615 5.318 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 59483045 UEXRDPZTBKOWKE-SRZZPIQSSA-N 406.736 6.062 30 40 HKEB O=C(Nc1ccc(Cl)cc1)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccccc1 100891683 LGCAZVVSQCVFBA-LGUFXXKBSA-N 412.276 5.283 30 40 HKEB CCCCCCCCC(CCCCCCCC)[C@H]1C[C@@H]2CCC[C@@H]2[C@H]2CCC[C@H]12 104145454 JSKCOAYGYKRYTA-WNJKUOTESA-N 402.751 9.956 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198151315 ZMOZDVMXQSXQTN-OGLMXYFKSA-N 416.952 7.515 30 40 HKEB C=CCOc1c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC 408528920 HPEBMFNUDHCZFE-CPNJWEJPSA-N 411.548 5.283 30 40 HKEB Cc1c(/C=N/Nc2nc3ccccc3s2)c2ccccc2n1Cc1ccc(F)cc1 408586412 BTOPDFWYFVRMRS-VULFUBBASA-N 414.509 6.193 30 40 HKEB CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O 409032309 CLQXGTQFMMSIHA-UHFFFAOYSA-N 406.309 5.132 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409246484 BVYMRMMCXPLPEU-ROGFPXQNSA-N 411.285 5.462 30 40 HKEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409372802 QSSQMNCYDRYIGC-DEDYPNTBSA-N 415.445 5.395 30 40 HKEB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccccc2C#N)c1 2056225156 FYVQPCBSKMASOF-UHFFFAOYSA-N 408.501 5.242 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 710700 NYDJDWTXVLHYDB-GZIVZEMBSA-N 406.173 5.185 30 40 HKEB COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1c(O)cc(C)c(Cl)c1C 864865 SEPSULQSQRHKNA-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)cc1 1445050 AXEVVORKHRWEPN-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB Cc1ccccc1/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 3088603 KZXLPEZOKLWLBN-NDZAJKAJSA-N 415.492 7.271 30 40 HKEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)cc1 8823659 ZGQURSZWSMQRSJ-CFRMEGHHSA-N 423.553 5.521 30 40 HKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SC/C=C/c1ccccc1 8856197 WHFFFVLBUJUXMG-RUDMXATFSA-N 416.596 7.216 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccccc2F)cc1 9234205 VKCACPDTHBCPBG-OPAHAADXSA-N 413.448 5.317 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2)cs1)c1c(C)cccc1C 12938859 XFVOUPASGDCSRW-VAWYXSNFSA-N 410.926 5.994 30 40 HKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2)C(=O)C1 100004677 FYWRTRIQWSJIJX-LJQANCHMSA-N 402.918 5.199 30 40 HKEB Cc1cccc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)c1C 100146722 QKXOXSODLPQEEI-BUHFOSPRSA-N 409.888 6.483 30 40 HKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1/N=C/N1CCCC1 100992318 CMKXOCLHOSFRSZ-ZTKZIYFRSA-N 420.516 6.091 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916131 MNCABEXSEDNYIM-GCUXGQKXSA-N 421.625 5.719 30 40 HKEB biogenic C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226340284 MNRMZXOEQJZSAA-UHFFFAOYSA-N 416.098 5.678 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O 408867720 KAPCHXHHJDGVNM-BIFPGVLTSA-N 424.541 6.161 30 40 HKEB CCCOc1ccc(N=C(c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)cc1 408927426 WSVLNPLTQVJKNQ-UHFFFAOYSA-N 403.404 5.358 30 40 HKEB Cc1c2ccccc2c(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc12 408995184 AOILNVKCSYPRDU-CCVNUDIWSA-N 423.541 5.834 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1OC(C)C 409018494 XAWDOKUYLAEOQN-WQRHYEAKSA-N 416.930 5.336 30 40 HKEB Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1C 409201516 LVWLIVVTHDCSLJ-DHRITJCHSA-N 412.302 6.535 30 40 HKEB C=CCN1C(=O)/C(=C/C=C2/Oc3ccc(-c4ccccc4)cc3N2CC)SC1=S 2067394 HYXGOFLHKDYZQF-AYRZQKSOSA-N 420.559 5.344 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 4935807 PJBLWWOSBWUEIB-WUQQWCGSSA-N 415.562 5.864 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c1 5376590 LZDLWZTVUIDGBN-UDWIEESQSA-N 408.910 6.108 30 40 HKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1OC(F)F 6048585 YLIWAYHOFACCRR-QPJJXVBHSA-N 408.269 5.804 30 40 HKEB N#Cc1oc2ccccc2c1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 6948322 JQBACNZURFVMKJ-UHFFFAOYSA-N 409.467 5.298 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Cl 9233682 FTIPSDCOSGJAKR-MZJWZYIUSA-N 423.940 6.051 30 40 HKEB Cc1ccc(-c2csc(N/N=C/c3cccc(OCc4ccc(F)cc4)c3)n2)cc1 16663031 DPFSIERFWPCJDJ-VULFUBBASA-N 417.509 6.283 30 40 HKEB C/C(=N/N=C(\C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 16952097 FAAPJZADHKZZOQ-XFPKHNAPSA-N 424.456 5.684 30 40 HKEB Cc1cc(O)c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20647517 YZTVZZSCIQVRIO-SRMCNWIXSA-N 403.478 5.295 30 40 HKEB COc1cc(/C=C/C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N 48326254 XMYUGDGNVODJGU-RQOTYCFOSA-N 413.473 5.138 30 40 HKEB Cc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 59503596 SFMYDIIVUZRTMP-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB Fc1c(F)c(F)c(Oc2c(F)c(F)c(Br)c(F)c2F)c(F)c1F 100045510 UHIGTBMVQHTRMG-UHFFFAOYSA-N 411.017 5.493 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 100507615 XAVDPSODIZHWJR-FOKLQQMPSA-N 411.230 5.853 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(F)cc1 408589605 FATVCKSLWOPXBD-UVHMKAGCSA-N 424.859 5.489 30 40 HKEB CC(C)Oc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408909794 HMENYDSOBXNCEH-QQXSKIMKSA-N 418.562 6.417 30 40 HKEB Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCCCC3)c1 408972326 RLTZYBGOLWNJLZ-JVWAILMASA-N 417.578 6.422 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(F)cc1 409120863 WOIBSZZSZJPWTO-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1Cl 409129478 GVXLNPVTHOQVIT-AUWJEWJLSA-N 411.697 5.047 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 1059524 VOPFGQSZFQTNNB-DIFDQGGFSA-N 409.489 6.480 30 40 HKEB CSc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 1068748 SSOAOYZQFXZWFY-QHCPKHFHSA-N 411.530 5.930 30 40 HKEB C=C(C)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCC5 2225428 XGCCLUOVONKJOI-UHFFFAOYSA-N 409.584 5.243 30 40 HKEB COc1ccc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1 2283385 VCZDMSYUCSXGEM-SSDVNMTOSA-N 400.272 5.539 30 40 HKEB Cc1ccc(-c2csc(N(C(=O)c3ccc(C#N)cc3)c3c(C)cccc3C)n2)cc1 3393759 VLZXEFASYUWMSH-UHFFFAOYSA-N 423.541 6.586 30 40 HKEB Oc1cc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1nc2ccccc2o1 3470478 IMNHIYAKLYSPNS-VULFUBBASA-N 414.848 6.864 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944863 VEFKJWAKBKUZIW-QGZVFWFLSA-N 423.484 5.007 30 40 HKEB Cc1ccc(CSc2nc(NCc3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1 8762874 LQGWDVKEEAWXFK-UHFFFAOYSA-N 422.557 6.228 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1OCc1ccccc1Cl 9296673 GKUUCOHBFREKSI-KGENOOAVSA-N 420.921 5.811 30 40 HKEB C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F 12770338 GYUNULXAGBBZBF-HNNXBMFYSA-N 408.473 5.620 30 40 HKEB CC(C)(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 17164342 HMRDBEQKGADHHK-FALKZDQASA-N 412.558 6.793 30 40 HKEB Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 28182546 MPWZQLCJDVRCPT-QFEZKATASA-N 409.485 5.990 30 40 HKEB Cc1ccc([C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1 33352741 QTHZGJIAEIEINR-PFBJBMPXSA-N 419.503 6.342 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc(N(C)C)cc3)sc2-c2ccccc2)cc1 59484290 QZRDPVIIHHOOLY-YZSQISJMSA-N 412.562 6.298 30 40 HKEB CCCCc1ccc(-c2ccc(C#Cc3c(F)cc(CCCC)cc3F)cc2)cc1 90428869 FJTKLKYXSCOTTL-UHFFFAOYSA-N 402.528 7.717 30 40 HKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N2CC)cc1 100259632 SSJYTMBVNJLUPN-WFXBMRRRSA-N 423.582 5.555 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 102925428 CXJQJYIJHWEYQN-MQPDMMFLSA-N 418.949 6.705 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2ccc(/N=N/c3ccc(OC)cc3)cc2O)cc1 102943784 SZACMQIWCVGBKZ-WBHRPZRPSA-N 403.438 5.744 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C\c3ccc(N4CCCCC4)cc3)cc2)cc1 408851460 KCVYUUAWMGXQRM-BWAHOGKJSA-N 417.534 6.487 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 409186904 JGZVPRIVOIBCOF-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 409200780 JJFZIWFTJIFZLL-VULFUBBASA-N 423.896 6.075 30 40 HKEB CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 409216066 DQVZGISKVZEWIG-VXLYETTFSA-N 413.109 5.370 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 3060149 DSBZQBUDKDACKG-FSJBWODESA-N 423.335 6.490 30 40 HKEB COc1ccc(/C=C/C(=O)c2c(OC)ccc3c(-c4ccccc4)cc(=O)oc23)cc1 4669056 TYGLLAWYVFJZNC-GXDHUFHOSA-N 412.441 5.373 30 40 HKEB C/C(=N\C1CCCCC1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 4786073 ABNIAUACWBXWDI-FOKLQQMPSA-N 408.449 5.348 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1ccc(C)cc1 5869926 QYEFPFCAQPVVSI-WSDLNYQXSA-N 414.918 5.786 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@H]2c1ccco1 15826311 IGYPCVUMKKVXLR-VWLOTQADSA-N 416.496 6.235 30 40 HKEB CC(=N\OC(=O)Nc1cccc(Cl)c1)/C(C)=N/OC(=O)Nc1cccc(Cl)c1 16137252 OEOVKRSCZNJSPP-ASIDMNOUSA-N 423.256 5.542 30 40 HKEB C=C(Br)Cn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 27792772 GRQWTIBSISTXSF-QGZVFWFLSA-N 424.342 5.028 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCc1cccc2ccccc12 100285334 FMGXCHVUWQWSCN-UHFFFAOYSA-N 423.685 8.718 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1 198074699 MDFRIDBNLNXLKE-VKLJRCAFSA-N 414.549 6.960 30 40 HKEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623051 FOFSIVQXKGPTEC-UHFFFAOYSA-N 420.745 5.345 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(F)cc2)cc1)c1sc2ccccc2c1Cl 408734208 CNYSVJRDKZYCNE-DHRITJCHSA-N 409.869 6.664 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408852400 KHVILJVBINVUNE-MXAYSNPKSA-N 424.884 5.373 30 40 HKEB O=C1/C(=C\c2ccccc2O)S/C(=N\c2ccccc2)N1CCc1ccccc1 408905467 AMTJEALELVWJPV-AIQBXGKYSA-N 400.503 5.239 30 40 HKEB O=C1/C(=C\c2c(F)cccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 408908433 DXEIWHHTJPSQPL-SOBQFDRLSA-N 408.885 6.288 30 40 HKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 409065273 IPPXBHRFNSHMPI-YZSQISJMSA-N 406.913 6.028 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 409088587 GIKGDVGVOFZEQJ-GBYSFBBLSA-N 416.590 7.073 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(F)cc1 409121043 VQKWXOODEQLWDP-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1O 409229640 SDZOJYYRADMRHZ-CXUHLZMHSA-N 423.321 5.298 30 40 HKEB CCCCCCCC(=O)CCC1=C(O)C[C](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C 1560406280 YJNCKNQGPUMJMU-ZRKSWWEUSA-N 421.598 6.501 30 40 HKEB O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1ccccc1 2266689 ZUURTBSFJCPVOU-ILUFSXPBSA-N 414.504 7.061 30 40 HKEB biogenic CCCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cccc12 2285000 GKTSQVOCSTULAB-UHFFFAOYSA-N 405.538 6.736 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1 3255943 LIGWLPKYZBYNRA-UHFFFAOYSA-N 406.441 5.011 30 40 HKEB CCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060511 MWOYFIQIDIYYBC-JOCHJYFZSA-N 411.542 5.031 30 40 HKEB CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2 4063823 PSRPUAWXJUWDPJ-XMMPIXPASA-N 423.553 5.319 30 40 HKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(C(=O)O)cc1 4562065 BNODDTJWPRVKEK-UHFFFAOYSA-N 404.535 5.412 30 40 HKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccccc2Cl)C12CCCCC2 5695285 CVTFRMPZYZYAFQ-UHFFFAOYSA-N 412.002 6.338 30 40 HKEB C=CCn1c(SCc2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 8394757 IFNNSJNNJVIASC-QFIPXVFZSA-N 415.518 5.422 30 40 HKEB COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10217976 CRXWFXJKNBERNK-UHFFFAOYSA-N 409.536 5.201 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2ccccc2o1 15018921 TZGCMGFARCFCGW-UHFFFAOYSA-N 424.913 5.262 30 40 HKEB Cc1cc2nc3ccc(N(C)C)cc3nc2cc1/N=C/c1ccc(Br)cc1 16284143 SPANHCZZAQPPFN-ZMOGYAJESA-N 419.326 5.671 30 40 HKEB Cc1cccc(/N=C/c2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1 17211060 XGMLUCBCMHSQQQ-NLRVBDNBSA-N 417.534 5.163 30 40 HKEB C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 33489212 ZFWCBHLCUTWKET-ZBKNUEDVSA-N 417.705 5.266 30 40 HKEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 34888900 GRONKESKVLEQQO-BHDDXSALSA-N 415.924 5.482 30 40 HKEB O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 36245396 JEIJASCQJQMZKP-YVADOFBFSA-N 404.922 6.144 30 40 HKEB CCN(c1ccc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1)C(C)C 58053739 ZXLVTENLVGMRPR-UHFFFAOYSA-N 414.509 5.541 30 40 HKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 100537200 KZEIIGANORVYOA-STBIYBPSSA-N 422.459 6.681 30 40 HKEB CCCCCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl 101366951 NTKJEISIPXDXKC-LPHOPBHVSA-N 402.000 5.546 30 40 HKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[C@H]1c1nccs1 138270131 WWWQESBXVBDMTD-PDLCMLHASA-N 421.330 6.128 30 40 HKEB Cc1cccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c1 408765410 PKLDUMDTRDZALN-YBEGLDIGSA-N 401.329 5.266 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 408912287 MVRGHDKOXMZTRF-GCXIQGEKSA-N 418.949 6.453 30 40 HKEB CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCC 408962074 PNVQZCLYEIRDPR-LDADJPATSA-N 416.930 5.337 30 40 HKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C 409199025 ASGGJVVXHWGPIX-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C 409215688 DNPPYFGTKREHGS-XHFTXJRRSA-N 409.599 5.800 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1 409370209 MYACZRPIUQHTQP-QFEZKATASA-N 408.885 5.217 30 40 HKEB C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 985806 QKEOWHHWYVDZFG-CQSZACIVSA-N 422.579 5.203 30 40 HKEB CC(=O)Oc1ccc(Br)cc1/N=C/c1sc2ccccc2c1Cl 2277896 NNJXOFVPKFPYLS-AWQFTUOYSA-N 408.704 5.993 30 40 HKEB CCn1c2ccccc2c2cc(NC3=C(Cl)C(=O)c4ccccc4C3=O)ccc21 2335372 GOMYCIOLCPGVHN-UHFFFAOYSA-N 400.865 5.756 30 40 HKEB CCCCCCCCS(=O)(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3162527 CQBJWFQOFGSAGC-JJIBRWJFSA-N 424.651 5.601 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc12 4116324 SZHDJIIWZSYFIW-CHVDNLQBSA-N 412.489 5.071 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 4196900 ZDLDXAMASZDWFT-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB COc1ccccc1/C=C/C(=O)c1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4279042 MUQSBKSISMBXFF-JLHYYAGUSA-N 417.417 5.027 30 40 HKEB CCCCc1ccc(/N=C2/C(=O)N3c4c2cc(OCC)cc4[C@@H](C)CC3(C)C)cc1 4740339 RPIMGSNRIBNPKN-UOIURVPMSA-N 404.554 6.181 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCc2ccccc2)cc1 5248909 LPCKXJMMEPGXNH-UHFFFAOYSA-N 416.528 6.179 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 5477939 ZHDWYLMKFPACRT-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(NC(=O)c2ccco2)cc1 6905744 ADXNKBHBBYGWDW-RMKNXTFCSA-N 416.260 5.743 30 40 HKEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccco1 9264187 JOXHVVLLFSQHJG-DEOSSOPVSA-N 414.461 5.109 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1 13369908 PUEIBADXJGGASE-FOKLQQMPSA-N 408.255 5.417 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O 13476816 DQYFLHDCWMAKRA-WYMPLXKRSA-N 421.384 5.397 30 40 HKEB C=CCn1c(C2CC2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 14182560 QLSAZTYPBTWANU-SFHVURJKSA-N 414.625 5.206 30 40 HKEB Cn1ccnc1[C@@H](/N=C(\O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 16261738 QHSJRVCWMLUTQU-DEOSSOPVSA-N 415.924 6.029 30 40 HKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 19201971 ALYACXKDAYMDHI-SFHVURJKSA-N 422.352 5.551 30 40 HKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 35312309 HBCXOYUKKINZDB-UHFFFAOYSA-N 423.541 6.121 30 40 HKEB CCCC/C=C\CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 85511919 UEFNZITZGVWLFK-SREVYHEPSA-N 418.618 7.600 30 40 HKEB biogenic,in-vitro CCCCCCCn1c(=N)n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 100573127 LQYFWWOJOQWYQD-NRFANRHFSA-N 420.384 5.933 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 104133151 OKSBHHVVLWQQIC-HOGKFDNTSA-N 401.437 5.069 30 40 HKEB C=CCSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 225585202 JDSNLUWMYDNUAE-UHFFFAOYSA-N 417.943 5.301 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327343 IVIYCPMBUCDOKA-UHFFFAOYSA-N 413.684 5.415 30 40 HKEB COc1c(F)c(F)c(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(F)c1F 408623292 SMTLHXNDMONGJZ-UHFFFAOYSA-N 401.665 5.176 30 40 HKEB C/C(=N\NC(=S)Nc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408874999 HCTKAUQSJAQANY-CVKSISIWSA-N 422.941 5.303 30 40 HKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408951600 UQRODXICVTWPRU-LGJNPRDNSA-N 403.869 5.745 30 40 HKEB CCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409048017 VRIHOSNXZSDSIJ-OUBWWKSTSA-N 415.136 5.496 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 409210905 LNOSVFWPDDNCKH-DHRITJCHSA-N 413.304 6.070 30 40 HKEB CC#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C 1560407517 NSUUUQRFPXZFLI-OWWDREAESA-N 414.589 5.724 30 40 HKEB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 1889122768 ISQVBKWANUTMNE-IAASCJLFSA-N 408.582 5.661 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 2055209 VVMLVCUTJOXYDN-QHCPKHFHSA-N 411.542 5.175 30 40 HKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2091872 CWBUETUECNMKED-ZDUSSCGKSA-N 402.947 5.504 30 40 HKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 2229665 HYJHCCAUGUMEKR-JOCHJYFZSA-N 412.580 5.178 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 2362172 AKUSSLSRRUMLIW-JOCHJYFZSA-N 412.580 5.026 30 40 HKEB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OC3=CC(=O)CC(C)(C)C3)cc12 2631248 MUBRBHLEFFADTH-UHFFFAOYSA-N 414.914 5.479 30 40 HKEB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2737882 JYLQERGOJFRNAE-UONOGXRCSA-N 416.974 5.830 30 40 HKEB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 4181724 UAYSIFNVDLISKS-JHCGDMRDSA-N 407.561 6.638 30 40 HKEB CC(C)=CCCC1=CC[C@@H](/C=N/n2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 4816264 PTCHRNVRDYQMRO-QWRGLFMHSA-N 422.504 5.275 30 40 HKEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 4994064 XTKZJHFSALKYOC-VXNXHJTFSA-N 411.929 5.047 30 40 HKEB Cc1ccc(NC(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6212961 RSCBIAJZPGFUMW-KDCJFMNISA-N 412.402 5.074 30 40 HKEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 7496022 LOFOOMCJWMCJGE-ZPVHIYBVSA-N 418.500 5.393 30 40 HKEB Cc1ccc(Cn2c(C)c(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8812021 UDFITCKTGXCQHT-LQKURTRISA-N 401.941 6.084 30 40 HKEB Cc1cc(Cl)cc2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc12 13037062 ATIFOHYDMFNRIS-UHFFFAOYSA-N 418.909 5.372 30 40 HKEB Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 16384261 FSBISORPFSNMPU-ASIDMNOUSA-N 402.152 6.618 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 19847899 QNQIGDUCMVQYCZ-SZNDQCEHSA-N 413.564 5.123 30 40 HKEB CCCOc1ccc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 27019123 KATRBCWBLDPUAI-LTGZKZEYSA-N 417.892 6.694 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)cc1Br)c1ccc(Br)cc1 32100183 IINCHGNAKDBGJF-BQYQJAHWSA-N 415.512 5.674 30 40 HKEB CCCCCCCc1ccc(-c2noc(-c3ccc(CCCCCC)cc3)n2)cc1 33354389 UJKLJMRBUGMDCL-UHFFFAOYSA-N 404.598 8.039 30 40 HKEB COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cn1 408820407 VXLLRNLUUWUHNS-JMIUGGIZSA-N 423.719 6.001 30 40 HKEB C/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N1C 408847944 VYDSQJGOGYRUMB-HQYQRZIKSA-N 407.322 5.104 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cn(CC)c3ccccc23)C(=O)N1CC 408916746 YYTKBGDHMMUMOC-LBMUFILHSA-N 403.551 5.848 30 40 HKEB CC(C)N1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409147881 ZXPVKRXSPFFBRF-XRRNWMHTSA-N 405.567 5.647 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 409200310 HQOSLCWDTNFSPY-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409201431 MQUAUKWXYUEUJH-VULFUBBASA-N 422.912 5.734 30 40 HKEB CCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F 575330268 SWWVRKQYWUSHOT-MSUUIHNZSA-N 406.470 8.857 30 40 HKEB CC[C@@H](C)c1ccc(/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 3348513 UMEMTRQDOHMTSY-PAAHFINGSA-N 402.925 6.521 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1O 4828623 JBSYXZXIYVVGIG-ZMOGYAJESA-N 404.857 5.110 30 40 HKEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 5463021 IUGHFLXCOJORAB-XGCMIMOYSA-N 400.887 5.192 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(F)cc1 6084484 YGCUFMMYQGZYSR-VGOFMYFVSA-N 400.784 5.390 30 40 HKEB CC1(C)CC(=O)C(=CNc2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C(=O)C1 6665299 RILVHFSWKQXKLA-UHFFFAOYSA-N 419.912 5.447 30 40 HKEB C=CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9197522 DHKLWWZEJYZOSP-FOKLQQMPSA-N 413.732 5.734 30 40 HKEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9404400 AGDMTWUTBMHOBF-MFKUBSTISA-N 417.372 5.077 30 40 HKEB Cc1c(C(C)C)c(N2CCN(Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 20262936 ORHVYLLARDEBAI-UHFFFAOYSA-N 423.564 5.113 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c2ccccc21 20647041 YTEIWYKHMFUXPU-ZZQPOVDQSA-N 416.521 5.357 30 40 HKEB CCCCCCCCC(=O)Nc1nc(-c2ccc(Br)s2)cs1 97944402 ZIFIOFQLUCEHMB-UHFFFAOYSA-N 401.395 6.323 30 40 HKEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102511365 CGFCLQAGMNWYRE-MRJHHRETSA-N 421.855 5.101 30 40 HKEB CN(C)c1ccc(N=C(C#N)c2cccc(C(C#N)=Nc3ccc(N(C)C)cc3)c2)cc1 245239773 MENPARZFJLXAQL-UHFFFAOYSA-N 420.520 5.107 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)ccc1OCc1ccccc1 408692689 SESMFTIHWRUGQD-YZSQISJMSA-N 414.509 5.480 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 409203460 WMVYIUMAYBADPR-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 409214302 WTBZEBAXNPZDER-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 409241050 WSEPEGQOSLKPMC-FJQPQQQZSA-N 423.321 5.332 30 40 HKEB COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 859610 JDSOEKBUDOMPPG-FSJBWODESA-N 423.266 5.722 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4ccccc34)c2C#N)C1 1104799 VYGPTVDWAIFAEH-CYBMUJFWSA-N 405.548 5.025 30 40 HKEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3c(Cl)cccc3Cl)ccc21 2329115 JDFVQSJJJRCUSF-FBHDLOMBSA-N 415.247 6.328 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 2729638 ZKJIQPJSPFGYTE-JTUXUYRKSA-N 414.530 6.121 30 40 HKEB CC[C@]1(C)/C(=N/c2c(C)cccc2C)N=C(SC)N1c1ccc(Cl)c(Cl)c1 3075064 FYEOLKZTRKPFRM-AZJLSSPBSA-N 420.409 7.048 30 40 HKEB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/Nc1nc2ccccc2s1 4071381 LPSXMYZMTJKMQZ-LFVJCYFKSA-N 416.554 5.227 30 40 HKEB CC(C)(C)C1CCC(=NN2C(=O)c3ccccc3NC23CCC(C(C)(C)C)CC3)CC1 4663392 AKGQSZJVWXAJBQ-UHFFFAOYSA-N 423.645 7.079 30 40 HKEB CC(=O)O/N=C(\C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 5062793 DUZZOVJIFCTLFK-QVIHXGFCSA-N 417.508 6.550 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1c(F)cccc1Cl 5455530 MLELEAKROVGMEM-RPPGKUMJSA-N 405.864 5.469 30 40 HKEB COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 5541200 ZXOATCSQKGNJET-AXJHWPGZSA-N 405.925 6.382 30 40 HKEB COc1ccc(/N=C/C=C(\Nc2ccc(OC)cc2)c2ccc3ccccc3c2)cc1 5798418 CQLVNVPLYASMKU-HJVIKEODSA-N 408.501 6.713 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)N=C2O)c(OC)c1 6858461 STNHJJKPNURJEW-APSNUPSMSA-N 409.294 5.743 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1N2 9264163 XYVMHIKSLVJXIP-VWLOTQADSA-N 414.530 5.498 30 40 HKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 14921249 SAWHRLSECBEYBY-WTAJHTIPSA-N 419.440 6.972 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3O)oc2c1 17201706 LTSUKKPIHUMEGG-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB C/C(=N\OCC(=O)Nc1c(C)cccc1C(C)C)c1nc2ccccc2n1C(F)F 22322427 DOSKIYXOGRAOHK-JFLMPSFJSA-N 414.456 5.243 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1 32984276 ZBZNQTUCJUIBQW-UHFFFAOYSA-N 423.921 5.607 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1CCC1=CCCCC1 102925416 JPEMQYONTONKPQ-CVXQDMMISA-N 422.981 6.835 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916420 KHWMMNOVUASODC-FNHBLUHXSA-N 419.609 5.639 30 40 HKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1cccc(Cl)c1 409076776 CFMSHOXKGVWGEU-NDENLUEZSA-N 411.885 5.362 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C 409079775 LMHOBWJIWVMDCN-AGSDWXNQSA-N 414.958 5.917 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 409094520 FKVVSQURCRWWRV-LUOAPIJWSA-N 419.378 5.273 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(O)cc1 409100998 OFBBEBDNDHHBNJ-BHGWPJFGSA-N 418.375 5.173 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N\c2cccc(Br)c2)c1 409121464 VHOBDAVFDJEZAF-BKUYFWCQSA-N 413.296 6.259 30 40 HKEB C=CCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 3771735 GHWYGXUCWDDEPA-SANMLTNESA-N 416.590 5.655 30 40 HKEB O=C(Nc1cccc2ccccc12)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1 4616765 PYZQCIKHMXODMV-CVKSISIWSA-N 400.865 6.202 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 6044378 GQZNYDWOEPMYKG-JCMHNJIXSA-N 400.503 5.466 30 40 HKEB Cc1cccc(-n2cccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 6614412 DAAFTXDRSUCKGU-OVVQPSECSA-N 404.473 5.045 30 40 HKEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 7496015 LOFOOMCJWMCJGE-MOJHVBDOSA-N 418.500 5.393 30 40 HKEB COc1ccc2cc([C@@H](C)C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc2c1 7986646 RTWLSFSMXBNNKQ-OAHLLOKOSA-N 413.502 5.586 30 40 HKEB Cc1noc(C)c1COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 7989634 ZLAWEICLIQVPTB-CYBMUJFWSA-N 421.522 5.181 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccco2)cc1 8969469 OXSMJKJXVFLUDI-VOIUYBSRSA-N 411.461 5.054 30 40 HKEB COC(=O)C(=O)[C@H](S/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 16189589 YOVXXBXAXPEEFD-OAQYLSRUSA-N 404.491 5.003 30 40 HKEB COc1ccc(OC)c(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 16901507 FXDRPDWGXHWBMW-NKVSQWTQSA-N 408.310 5.580 30 40 HKEB C=C(C)CSc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)s1 32674117 OXYRAFJNJNZAOM-ZDUSSCGKSA-N 423.654 5.216 30 40 HKEB CCCCCCCCCCCCCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 70665345 FJYQLFPQKOBYMM-QHCPKHFHSA-N 424.673 8.095 30 40 HKEB biogenic O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1C1CCCCC1 96594036 PXUWVGGCENWIAY-NJMAKWBESA-N 418.990 5.983 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)cc1 100212080 UQPAQFVUOJHJFT-DHRITJCHSA-N 415.320 6.328 30 40 HKEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)Nc3ccc(OC)cc3)cc1)C2 100261664 JUSXJWVIGGBYPV-CJAUYULYSA-N 404.510 5.269 30 40 HKEB Nc1cc(Cl)c(Cl)cc1N/C=C/C(=O)c1cnc(-c2ccc(Cl)cc2)s1 100424654 XVASVSLBXXUMLM-AATRIKPKSA-N 424.740 6.161 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408780671 HNAFHMUVEQZHQK-JZCUADNKSA-N 409.371 7.121 30 40 HKEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/c1ccc(N2CCCCC2)cc1 408928760 HUGMLEVAEFVTGK-REHDBGDWSA-N 409.530 5.440 30 40 HKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 720537 CWMCNCWQQCBBOU-NSYGIPOTSA-N 415.562 5.794 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2116877 MNGYOFNIAOWXIT-XQJVOIGCSA-N 424.537 5.512 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1C 2338464 ZPJUDONXWZDDIK-KRWDZBQOSA-N 420.582 5.684 30 40 HKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1 3001424 MZLJGBZTVPWEGI-PPPBCGAESA-N 421.327 7.834 30 40 HKEB N#C[C@H]1C(c2ccc3ccccc3n2)=CN(CC(=O)c2ccccc2)c2ccccc21 3073677 BLQLPHCTLCYWCB-JOCHJYFZSA-N 401.469 5.586 30 40 HKEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(F)cc1 4107880 PTAMPKJNIKPOAF-RVHOYEEFSA-N 405.907 5.083 30 40 HKEB O=c1cc(-c2ccccc2)c2ccc(OC/C(=N/O)c3ccc(Cl)cc3)cc2o1 4665015 AQSZWBJLOQHWKK-DAFNUICNSA-N 405.837 5.371 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4954827 NMXVGXJUXGIFNT-ARGSHCIWSA-N 405.523 5.457 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O 5156769 RBWTZRDEARZTFN-IQDOGGMESA-N 416.404 5.226 30 40 HKEB CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C=CCC(C)(C)C2)c(C(C)C)c1 5411912 MSERXMUYIINALX-LYBHJNIJSA-N 404.620 6.067 30 40 HKEB CCOC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N 6089374 BGQGVEVXVUATIY-UHFFFAOYSA-N 422.937 5.904 30 40 HKEB Cc1nc(SCC(=O)N(CCC#N)c2ccc(F)cc2)n(C2CCCCC2)c1C 6657488 HVMZPHVERHHIRB-UHFFFAOYSA-N 414.550 5.183 30 40 HKEB O=C(/C=C/c1cccc(Cl)c1)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 8383761 YJYNEOWRYSAIGL-YIXHJXPBSA-N 416.857 5.143 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 9261343 KBJLIYUOQQYHHT-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Cn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 28182493 ZCYMFXUTUIHUBS-IICKDNCXSA-N 407.469 5.887 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)cc1C 33027084 MUJLPUAAKGEAOB-UHFFFAOYSA-N 400.438 5.009 30 40 HKEB CCCCCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 98042746 RXAGPTDAMGKJKY-NRFANRHFSA-N 418.603 5.172 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cc(C)ccc1C 100505590 WCNCBOVBZVNGBX-VHPLVOQASA-N 421.591 5.854 30 40 HKEB C=CCOc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225535156 IFLGKHDGJCKGPG-UHFFFAOYSA-N 422.525 5.456 30 40 HKEB O/N=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302764 RHBCEPGPEAXJHW-FSJBWODESA-N 400.316 5.985 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497839 NJWYLVQOSGELIN-YMFOBQBQSA-N 420.637 6.776 30 40 HKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408783002 ZYJFWHJHXPHFMC-FSJBWODESA-N 411.299 5.614 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(Cl)c(Cl)c2)c1C 408911655 BFVJANPBOHAKKP-MYKKPKGFSA-N 401.293 6.158 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1O 408937080 MJMOPGUMJRJWAW-CEUKURKVSA-N 411.461 5.878 30 40 HKEB COC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1Cl 409062990 DZZGZOBJDYEXDC-ROTLSHHCSA-N 424.909 5.949 30 40 HKEB Fc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc1N1CCOCC1 409124151 GZRJBLJIJZSFHB-WGOQTCKBSA-N 410.876 5.859 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409125345 NCZFDDLRZSWLBS-STZFKDTASA-N 422.481 5.082 30 40 HKEB C#CCn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 409250795 YFEXEPSMUVAUMT-LRXZINBSSA-N 403.482 5.038 30 40 HKEB CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1O 796460 CHZUDJNZPMMROC-XMMPIXPASA-N 406.526 5.630 30 40 HKEB COc1ccc(OC)c([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c1 924046 DQGBBUMVQKELOE-VWLOTQADSA-N 414.505 5.562 30 40 HKEB Cc1cc(C)c(/C=N/c2cccc3c(/N=C/c4c(C)cc(C)cc4C)cccc23)c(C)c1 2181530 MPVAVCKHCGMTBV-LTTYKRRRSA-N 418.584 8.192 30 40 HKEB C[C@@H]1CCc2sc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)c(C#N)c2C1 2769041 RQBPALZOXGBENM-GOSISDBHSA-N 414.574 5.785 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1 3666202 GGNIWXIKJBJTOO-KBKYJPHKSA-N 409.766 6.746 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1C 4687827 OJZOKSWESZOJSJ-HMAPJEAMSA-N 419.525 5.687 30 40 HKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 4740373 NSTPWNKRFTUNNG-FMAGWPLPSA-N 416.443 5.857 30 40 HKEB N#Cc1c(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c(O)n2c1nc1ccccc12 8706556 OTGJXKPPFCUYFH-ZQHSETAFSA-N 423.863 6.801 30 40 HKEB Cc1sc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c(C#N)c1C 27260731 GDKYVPWARCZKAG-UHFFFAOYSA-N 423.925 5.324 30 40 HKEB CC(=O)c1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 100430359 CNNWPVBEQCSDQS-UHFFFAOYSA-N 406.551 5.062 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 100507137 KBMZOXKIZJPBLX-AMKUCRCLSA-N 403.825 6.472 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)o1 408544106 URSSFOBKOVPIIE-VROXFSQNSA-N 413.260 6.038 30 40 HKEB CCOc1cc(/C=C2\CCC/C(=C(/O)C(F)(F)F)C2=O)cc(Br)c1O 408564179 VUXOZAGKEHWYEH-FAIWILQLSA-N 421.209 5.064 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)c1 408864020 WHWWRTWQOPAMLY-PNBGZZPSSA-N 420.578 6.186 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Cl)cc1 409086811 BHBXWAUMYMYUEZ-MOSHPQCFSA-N 403.865 5.572 30 40 HKEB COC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 409211466 JKGDLYUEFQVMBZ-IXBOPPFXSA-N 410.539 5.073 30 40 HKEB Cc1cccc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)n1 643588209 AFOJWOVFOOZXAJ-UHFFFAOYSA-N 402.498 5.198 30 40 HKEB Cc1cc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCC3)ccc1Cl 1792344 HQQVUQNJMURLJI-UHFFFAOYSA-N 418.971 5.597 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC(F)(F)F)cc1 4548474 VKJRRUFBVMMRHE-FQEVSTJZSA-N 402.416 5.807 30 40 HKEB CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](C)O3)cc1 4615362 KDHIJIWTVNWYFK-MYYSRTQBSA-N 400.478 5.279 30 40 HKEB Clc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(Cl)cc4)cccc23)cc1 4705276 GYCGYJHQNHPCKD-DPCVLPDWSA-N 403.312 7.648 30 40 HKEB Cc1c(OCc2ccccc2F)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9420695 CYHVDMAMLYLXMA-ZMOGYAJESA-N 413.448 5.821 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 12957965 QQULNPQQAGCGFI-ZBKNUEDVSA-N 416.102 5.287 30 40 HKEB N#Cc1nc(COc2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1 28405522 COFRMNFWRLHULX-UHFFFAOYSA-N 416.506 5.119 30 40 HKEB CCCCCCCCCCc1ccc(/N=N/c2ccc(OCCCCCC)cc2)cc1 68569006 XBRRCKJJFMBLAT-QVIHXGFCSA-N 422.657 9.744 30 40 HKEB O=[N+]([O-])c1cccc(/C=N\c2ccc3oc(-c4cccc5ccccc45)nc3c2)c1O 96372348 MEVAUSCTPJDTJQ-QFEZKATASA-N 409.401 6.012 30 40 HKEB CCCCCCCCCCCCNC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 100028499 GDUUCPMXPFTBKC-UHFFFAOYSA-N 422.613 6.898 30 40 HKEB O=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1)c1cc2ccccc2o1 102417264 MEJBOBIVHRHBBI-ZVHZXABRSA-N 419.278 6.198 30 40 HKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3o2)cc1 102417444 QLRIOQUKRSWHOX-STBIYBPSSA-N 420.512 7.402 30 40 HKEB CCCCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl 102568237 UHMWVUALPVODEG-UHFFFAOYSA-N 424.810 6.742 30 40 HKEB CCCCCCCCCCCCCCCCCC[n+]1cccc([C@H]2CCCN2C)c1 104184322 TZSKSEVZYIKXFK-MUUNZHRXSA-N 415.730 8.002 30 40 HKEB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@]12C 118913599 XKCSBVSQDYCBQX-ORIIRNICSA-N 402.732 8.614 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@H]3CC[C@@]21C 118934658 HANWTWIRKYRHGG-RTSMANDKSA-N 414.674 7.729 30 40 HKEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224626516 PVUVBSQJHTVADY-UHFFFAOYSA-N 414.354 5.309 30 40 HKEB C=CCSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 225388304 YPBAJQLCQRWXRQ-DTQAZKPQSA-N 413.955 5.649 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)SC1=S 260562674 BDSCEDPCOCUMLY-SDLDRHLBSA-N 414.640 5.883 30 40 HKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc(OCC)c1O 408813295 PEEGXIJRNCLHIQ-MOSHPQCFSA-N 408.523 5.028 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408936989 LUINYGCTXACLFD-NMZQKCLGSA-N 408.501 6.050 30 40 HKEB Cc1cc(C)cc(COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 408942333 QKEXUXPVOHFSTP-QRVIBDJDSA-N 420.425 5.145 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2)S1 408960534 MNXDPTINJJAIDP-ZHZULCJRSA-N 411.958 5.530 30 40 HKEB O=C(O)c1ccc(COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409068514 GTSJCPMUOMUNKZ-FSJBWODESA-N 410.813 5.276 30 40 HKEB CCOc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)c(C#N)cc2c1 907324 NOQWZRFEAOGQJS-UHFFFAOYSA-N 411.914 5.198 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1F 1389591 UMXYKVWUTJCNJF-UHFFFAOYSA-N 410.729 6.363 30 40 HKEB CCCCCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2366976 JKWRZQRSIIQSTO-UHFFFAOYSA-N 407.562 5.372 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OC(F)F 3102299 OTSDKEHLUSHVOQ-UHFFFAOYSA-N 416.464 5.688 30 40 HKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 3108862 IZADOVWBOSEEHP-DHRITJCHSA-N 410.304 6.618 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 3162037 BMMFKNFMKPLAPZ-BHGWPJFGSA-N 413.329 7.035 30 40 HKEB Oc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 3166155 SQJDKYRAPCNDFI-ZTKZIYFRSA-N 415.496 6.663 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CC(c3ccccc3)c3ccccc3)c2C#N)C1 3284154 UJJYAXRCCYASDK-QGZVFWFLSA-N 400.547 5.905 30 40 HKEB Cc1ccc(C(c2ccc(/N=C/c3cc(Cl)ccc3O)cc2)c2ccc(C)o2)o1 4280953 FIBBQMNTVSERTF-VULFUBBASA-N 405.881 6.779 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1O 4460250 SKWCINCNIWIHCJ-VULFUBBASA-N 410.429 5.818 30 40 HKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Br)cc1 4957164 DCVYNICZOSDGSB-HYARGMPZSA-N 400.345 6.026 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2C[C@H](C)C[C@@H](C)C2)cc1 5249175 MHLXZWONLQEEJG-WOJBJXKFSA-N 422.576 6.049 30 40 HKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 6241075 QQUBFAWTJTXZQP-SIBVEZHUSA-N 414.574 6.532 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O 6476826 IUNNJRAHDSIGAT-SSDVNMTOSA-N 409.854 5.981 30 40 HKEB C=C(C)Cn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c1=O 9422687 DBDPTGWRNLNULG-UHFFFAOYSA-N 417.534 5.101 30 40 HKEB N#CCCSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 14093189 GSAIQPXHJQMWBM-UHFFFAOYSA-N 423.592 5.234 30 40 HKEB C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 19805809 ZVDXIMYFGWGRMY-OOAXWGSJSA-N 403.957 5.471 30 40 HKEB COc1ccc(C)cc1Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N 19820337 JLWYLLIKMYVKNA-UHFFFAOYSA-N 418.566 6.095 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 20808166 PPBABPDVOHWTOJ-RMTZWNOUSA-N 401.469 5.096 30 40 HKEB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccc(C#N)cc1)CC(O)=N2 32094527 CDNZHMVSRIEDPI-KRWDZBQOSA-N 405.454 5.443 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 100492308 KYZDJPKHSCBOIB-NAHLOZMDSA-N 413.433 6.087 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 102249909 HKXBNHCUPKIYDM-FHAGRVPJSA-N 412.658 6.612 30 40 HKEB world CCCCCCCCc1ccc([C@H](O)[C@@H](C)C[N+](C)(C)C/C=C/c2ccccc2)cc1 104333478 ALDJIKHVKLWRTI-ZZSGQDCWSA-N 422.677 7.049 30 40 HKEB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757402 HEVSKSIFEWPLPV-UHFFFAOYSA-N 407.470 5.096 30 40 HKEB Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2)cc1 408533839 SKVHOJZEPQLZPF-HAHDFKILSA-N 414.530 5.774 30 40 HKEB Brc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 408718338 SPCPWVBDSMKJDZ-OEAKJJBVSA-N 404.267 5.917 30 40 HKEB C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1CC=C 408779825 LOMRAASMRMSJIM-FOOJEKODSA-N 406.551 5.142 30 40 HKEB Clc1ccc(-n2cccc2/C=N\c2cccc(I)c2)cc1 408847157 LYMWLMYYQOQVCJ-NDENLUEZSA-N 406.654 5.486 30 40 HKEB O=C1C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc23)C(=O)c2ccccc21 408912497 HIUCQQKODJSPQX-UHFFFAOYSA-N 424.883 6.535 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cccc1OC 408916349 WNJPCNRBMBZLBM-MIIQOVFOSA-N 408.523 5.056 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c(OC)c1 408936015 JNUFGYRUNHKIIM-UEKPDOFISA-N 410.517 6.281 30 40 HKEB CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 409077756 GSEAIVJZISMXRT-WGARJPEWSA-N 422.550 5.688 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409093659 BMTVUNFWEKCDHV-NLRVBDNBSA-N 402.494 5.847 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(OCC(=O)OC(C)C)cc3)cc2)cc1 409186375 BCTLSTWXATWJNJ-WGOQTCKBSA-N 419.477 5.569 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 409213711 VADIOROILMFMLP-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc3ccccc23)C2=C1CC(C)(C)CC2=O 409216203 GFEQRKFTFRSROX-UHFFFAOYSA-N 413.561 6.155 30 40 HKEB CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(OCC)c1 409229793 VCJTYBWMKYBRGP-YBFXNURJSA-N 416.930 5.337 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCC(N)=O 863294 JQHPRMKUHZMMIJ-UHFFFAOYSA-N 414.317 5.171 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C)cc1 2447106 GKVADDIXYRYQIA-UHFFFAOYSA-N 406.555 5.096 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C#N)c1C 5145228 NVKIXNLFKRIUIA-UHFFFAOYSA-N 406.463 5.150 30 40 HKEB COc1ccc(-c2cs/c(=N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1 8694206 OQZSLFUHBKNAJL-PZGDPEPUSA-N 419.937 5.803 30 40 HKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 8993087 HCKUGSBEBGFRDB-HNNXBMFYSA-N 404.501 6.415 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1Sc1ncccc1[N+](=O)[O-] 13575377 KXOPFWNMLCZCHX-UHFFFAOYSA-N 408.386 5.155 30 40 HKEB C=CCSc1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 15819461 MPLDKAYTISAOTN-UHFFFAOYSA-N 419.550 5.043 30 40 HKEB CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3cccs3)c2C1 19597392 DARZRPCNHBRTOT-UHFFFAOYSA-N 411.983 5.615 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc2c(c1)CCCC2 27300393 FLCMGAJDKLPYBF-UHFFFAOYSA-N 419.976 5.584 30 40 HKEB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 104088432 DCEBJSWVXALYDS-UHFFFAOYSA-N 410.580 5.207 30 40 HKEB Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223596609 RYDCDMDCNLXYMG-AOBKZXEFSA-N 408.615 5.816 30 40 HKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408937151 IJLMOGTUOCXLKB-SVWLEWSQSA-N 414.936 6.926 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O 408938858 RTJWYPYYAGIYFR-IUTUEQCBSA-N 424.544 6.676 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409214386 XGMLZNSTWRQOMG-BRJLIKDPSA-N 420.723 6.985 30 40 HKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1 1614654 KGCULKJZSULNHU-DJJIWSAGSA-N 412.143 7.520 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 1881332 VPEXJCFJVYMVIX-ZJDMXDFCSA-N 423.368 7.994 30 40 HKEB C/C(CC(c1ccccc1)c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4696656 WJIUVAHUCTVXJU-KQWNVCNZSA-N 404.426 5.513 30 40 HKEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 4794552 IEXBLVBQKWXXHT-DEOSSOPVSA-N 418.537 5.462 30 40 HKEB O=C(NC1=N/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21)NC1CCCCC1 4977274 YFWVMUABBJDVAI-UHFFFAOYSA-N 414.431 5.176 30 40 HKEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1C 5337401 SEVQEQLPPMITHB-BKUYFWCQSA-N 419.488 5.091 30 40 HKEB CCCc1cc(SCc2cccc3ccccc23)n2c(nc3ccccc32)c1C#N 5454589 FBWRYSODROLLMT-UHFFFAOYSA-N 407.542 6.757 30 40 HKEB Cc1c(/N=C/c2cc(Cc3ccccc3)ccc2O)cccc1-c1nc2ccccc2o1 6470015 NTGGAEXBNPQAKY-RDRPBHBLSA-N 418.496 6.850 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 7089906 CXJQJYIJHWEYQN-ADIFGEIESA-N 418.949 6.705 30 40 HKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Br)cc1 8821174 WJXVDJRYLINIPU-AUWJEWJLSA-N 411.683 5.133 30 40 HKEB Cc1ccc(C)c(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1 15018422 UWOUOKHGYVPDNP-LMTJQJACSA-N 412.558 6.729 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 15224303 DPNXZWNATNDIKH-KGQUIRLZSA-N 423.541 6.533 30 40 HKEB C[C@H]1CCCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C1 33027148 YPDCWJGKLOJHNE-KRWDZBQOSA-N 413.477 5.775 30 40 HKEB Brc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 59678715 RZLIHSBOARTDNF-KOEQRZSOSA-N 416.322 6.734 30 40 HKEB CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)=C(O)C1 102791226 SKRQNNVOEZWTIA-RUZDIDTESA-N 416.517 6.160 30 40 HKEB CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 123232654 SQQPSUJRXSKDHI-OJEAMTLJSA-N 416.690 7.254 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)ccc1O 225694468 LWFIYCGPQQWUES-WXUDTOHISA-N 418.537 5.438 30 40 HKEB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C#N 225766968 QBGWIDQSHVECQA-UHFFFAOYSA-N 403.309 5.714 30 40 HKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(O)=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCC1CCCC1 263600700 KHKDIUPVDIEHAH-YVVHDBJZSA-N 414.586 5.896 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C 408967049 OYCJQZZFNOEWQY-ZMOGYAJESA-N 415.762 6.823 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(C)cc1 409122019 WMKHLMFUUJHMJB-UHFFFAOYSA-N 415.577 6.930 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1C#N 409210475 KKBMCOIJUDARSK-KBKYJPHKSA-N 414.387 5.133 30 40 HKEB COc1ccc(OC)c([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c1 924044 DQGBBUMVQKELOE-RUZDIDTESA-N 414.505 5.562 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 4286005 GGTXHQWTIXLZFY-UHFFFAOYSA-N 402.910 5.752 30 40 HKEB C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 4595642 SXCDWDPPOPUGBT-PKAZHMFMSA-N 409.449 5.555 30 40 HKEB C/N=C1/S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1C 4656189 UBGAKPGFAVDZSH-DVTIZWKLSA-N 407.322 5.104 30 40 HKEB CCN1C(=CC2=C(O)/C(=C\c3ccc4ccccc4[n+]3CC)C2=O)C=Cc2ccccc21 4830677 ZORPGRAHFNSLGR-UHFFFAOYSA-O 421.520 5.363 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 5603227 RQEWRYQOOFWXPO-QFIPXVFZSA-N 419.475 5.660 30 40 HKEB O=C(Nc1ccc(Cl)c(Cl)c1)O/N=C(/C(=O)c1ccccc1)c1ccccc1 5772308 MQINRRIFAYAEAY-NCELDCMTSA-N 413.260 5.829 30 40 HKEB FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C2/CCCCc3ccccc32)c1 6046634 CDZPSNCFCKGRRR-XYGWBWBKSA-N 411.880 5.776 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2Cl)o1 7004168 ACDHVMDGRIHIOW-WQRHYEAKSA-N 415.301 6.145 30 40 HKEB Cc1nc(-c2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)cs1 8728480 JODNNJLVRLWYCW-UHFFFAOYSA-N 408.552 5.041 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1Cl 8811572 OBLKJVVWIKROCU-RWPZCVJISA-N 422.359 6.429 30 40 HKEB CC(C)Oc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl 9196943 ASTCTZPMUNWOSM-ZVBGSRNCSA-N 416.146 5.667 30 40 HKEB N#Cc1c(SCCCC(=O)c2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCC2 9422694 YMOZSOYFSPZDNI-UHFFFAOYSA-N 422.447 5.745 30 40 HKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 9425474 NZWWRFODRBVPCP-FOKLQQMPSA-N 422.337 5.970 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c1 9576669 RYISJYDYLSSRCK-VSCIQPPNSA-N 414.457 5.412 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O 13476675 KBSVCPSMYQIVGM-FSJBWODESA-N 403.394 5.176 30 40 HKEB C#CCN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 13880793 UCSGSHCYVJXBLB-BKUYFWCQSA-N 420.921 5.321 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 18105828 CYVRRLJXBWTENM-WXTAPIANSA-N 406.485 5.523 30 40 HKEB OC1=NC(=N/c2ccc(Br)cc2)/C(=C/c2cccc3nccnc23)S1 72401277 BDVQMQFSELPKOL-GDNBJRDFSA-N 411.284 5.124 30 40 HKEB CCCCCCCCCCCC(=O)[C@H](CCCCCCCCCCC)CC(=O)O 100252924 JXXQHXVCIPCYSW-XMMPIXPASA-N 410.683 8.488 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C[C@@H]2OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100744666 CLHQHYNIOKAGEX-UYENVONXSA-N 420.658 5.052 30 40 HKEB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C(=O)[C@H]12 102638085 IRZSCNFOEAMGDU-RIDVTSBRSA-N 422.594 5.253 30 40 HKEB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1ccc(Br)cc1 102909663 QYTRIVCKXUAGBM-LFVJCYFKSA-N 423.358 5.684 30 40 HKEB CCCCCCCCCCCCCCCCn1/c(=N\N=O)sc2ccccc21 104110400 OZERAVLLCRNHBZ-WCWDXBQESA-N 403.636 7.766 30 40 HKEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 226334901 JZACRXHZBFGWDO-ACCUITESSA-N 423.306 5.924 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc12 226362499 XAIHDZWSWKTOOU-JXMROGBWSA-N 407.256 6.433 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408757085 ZPOPYRGZWMMUDG-JLPGSUDCSA-N 408.526 6.447 30 40 HKEB CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408951061 HRTAWRILWYNBJK-ZHZULCJRSA-N 422.941 5.088 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(N2CCCC2)cc1 409209099 FVWRZBDOZCMTRK-UHFFFAOYSA-N 419.565 5.687 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2c1CCCC2 2312396 PWTJRRGROYDRMV-FOKLQQMPSA-N 411.870 6.071 30 40 HKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(Br)cc1 2556212 YJRRMYRVZIFNMT-BQYQJAHWSA-N 410.745 6.201 30 40 HKEB C[C@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl 2636610 XKIKJMPMJZUYNP-SNVBAGLBSA-N 409.820 5.062 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccc(F)cc1 4023227 XZPGAROSGKQXQY-CABVPQMVSA-N 424.487 5.738 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 4025713 SNOJHUGTPWMMOU-NOTUOJBMSA-N 408.501 5.196 30 40 HKEB biogenic Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCCCC3)c(C)c2)cc1 4457666 PYJBWMADNMUPJH-UHFFFAOYSA-N 407.517 6.496 30 40 HKEB CC(C)Cn1c(SCC(=O)Nc2c(C#N)oc3ccccc23)nc2ccccc21 6653845 HOVVVHFQXOMKBV-UHFFFAOYSA-N 404.495 5.041 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 8993657 JSBBYSLNLBNDBY-UHFFFAOYSA-N 400.425 5.940 30 40 HKEB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1(C#N)CCCCC1 9316388 LMDBCXHNNQJNIS-OAHLLOKOSA-N 422.579 5.182 30 40 HKEB Clc1ccc(CN/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 10118688 JTJURIAHHOADBF-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1OCc1ccccc1 12562629 KTPQROYEYRBGNU-JFLMPSFJSA-N 417.896 5.922 30 40 HKEB c1ccc(N/N=C(/CC/C(=N/Nc2ccccc2)c2ccccc2)c2ccccc2)cc1 16956050 WAOIKDOFYYWWJO-YDWWYXFJSA-N 418.544 6.799 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccc(F)cc1)c1ccccc1N2 21722474 WKAQWBIOPIQAGL-DEOSSOPVSA-N 404.510 6.068 30 40 HKEB C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@@H]1CCc2ccccc21 40158352 LZZBFQDIVOXQJT-XMMPIXPASA-N 415.562 5.259 30 40 HKEB Clc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 59387341 MBPNNHYLWWYRHY-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB CCCCCCCCOC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC 72400228 FIBARIGPBPUBHC-JWQCQUIFSA-N 410.683 8.139 30 40 HKEB in-vitro CCCCCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 97952666 RPAZTXSOGORQSM-UHFFFAOYSA-N 408.546 5.627 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954711 GFUMYSFOZPNMHD-HXUWFJFHSA-N 419.569 5.926 30 40 HKEB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccccc1 100117651 GXPVENMMDSUEJS-NSUNUEHASA-N 414.936 6.296 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C)c(C)c1 101390298 LMJPDWSQIODPHV-JOWZZTKRSA-N 421.566 5.067 30 40 HKEB FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2ccc(Cl)cc2Cl)c1 102957935 FPLVYMIXAWFDOB-BHGWPJFGSA-N 403.231 5.599 30 40 HKEB CCCCCCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)NC1=O 408542302 KLIRFJZWFCTQCD-HMMYKYKNSA-N 414.958 6.191 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1Cl 408912939 ILHWTXSTJZKYNI-BHGWPJFGSA-N 410.857 5.013 30 40 HKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O 408915667 QLCHCNZZWSXJNW-LBMUFILHSA-N 408.567 6.044 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc(F)cc1 409116489 NYQRDTJKRRNIOR-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB CC(C)Oc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(O)c1 409378682 RNAHNOLHFJQHBG-DHRITJCHSA-N 402.406 5.915 30 40 HKEB Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c1 996712 IFBMDKLYOIQIOM-KHUIZHDGSA-N 409.555 5.017 30 40 HKEB CC(C)(C)[C@H](COc1ccccc1)/N=C1\NC(=S)N(Cc2ccccc2)C1(C)C 1445436 QHDJSDANFXSTSF-FQEVSTJZSA-N 409.599 5.048 30 40 HKEB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 17088633 ANYWUBGDTFHIDP-QGZVFWFLSA-N 410.583 5.912 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3Br)N=C2O)c(OC)c1 17194574 ULLQISLMBYFERX-SXGWCWSVSA-N 419.300 5.198 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 19867269 NLBZOSFMXFRCDD-GAJHUEQPSA-N 421.924 5.265 30 40 HKEB CC[C@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 32594141 SCRBXJCMVYNMPA-IBGZPJMESA-N 421.928 6.215 30 40 HKEB CCCCCCCCCCC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc21 42682019 BVEYTXDHUKGBCO-UHFFFAOYSA-N 421.605 6.145 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 59514490 RSDSKJYWJRGONM-BUVRLJJBSA-N 417.490 5.360 30 40 HKEB CCCCCCCCCCCC[N+](C)(C)CCOc1ccc2c(C)cc(=O)oc2c1 70665932 PCQDHAKTEVVVSN-UHFFFAOYSA-N 416.626 6.478 30 40 HKEB biogenic N#C[C@H](C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1nc2cc(C(F)(F)F)ccc2s1 95356493 ABBPNROWYOAELU-TUAOUCFPSA-N 420.378 5.860 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1SCc1ccco1 100475000 UMUUKLOLWUUBJM-UFFVCSGVSA-N 407.278 6.538 30 40 HKEB COc1ccc(/C=C2/CC[C@@H](C)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC 104318034 FNEHNMVDEJMKOR-ZBTUVSSZSA-N 408.494 5.187 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916217 ISQVBKWANUTMNE-NYIRGCRGSA-N 408.582 5.661 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225656861 YGHRRVXNYUVHRO-LJQANCHMSA-N 409.599 5.535 30 40 HKEB CC(C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 408853268 MTKCCEYNBZWWHP-CAOOACKPSA-N 418.072 5.521 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 408946118 XZFWWHQJLBCCQN-IASQXJLISA-N 422.572 7.361 30 40 HKEB COC(=O)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 408973906 CMFVWRZSPNACIH-OGLMXYFKSA-N 406.441 6.022 30 40 HKEB CC[C@H](C)n1c(C)c(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 409050637 YADZBBUCVDEFSK-HETASGFPSA-N 409.402 6.371 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1C 409116179 LATPVWGHAAKEDA-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409210039 KNGHSYDLEOVVCW-MFKUBSTISA-N 404.466 5.940 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(I)cc1 409241873 SNEDKNDRTZMGQX-STZFKDTASA-N 420.294 5.041 30 40 HKEB N#Cc1ccccc1-c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)o1 409402090 CWQHVMNFRQKCML-UHFFFAOYSA-N 416.440 5.077 30 40 HKEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 4151010 UFWDHOXDNJUOQZ-RBISFHTESA-N 408.545 6.537 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1 4491533 OKLHEIUDYBQWMT-PXLXIMEGSA-N 416.502 5.166 30 40 HKEB O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccccc1 8922053 JAHFGSABWULREF-FQEVSTJZSA-N 423.390 5.488 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C1 17091570 RMWVPEHPCBTJAL-QGZVFWFLSA-N 418.562 5.941 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 18197312 FHRZKUVZYSDELW-MGNBDDOMSA-N 417.321 5.062 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccccc1Cl 20761618 BMNYJHPUSBLINY-CVKSISIWSA-N 424.928 5.450 30 40 HKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 59137129 PAZLPVZYMPOISH-HMAPJEAMSA-N 419.525 5.687 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(F)c1 408591253 JFSRHBXOUWZZAM-UVHMKAGCSA-N 424.859 5.489 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 409233279 UOJFOWGIUHWUDP-OVVQPSECSA-N 420.940 6.882 30 40 HKEB CCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409381091 RRFOPSYWVLFEBF-LQKURTRISA-N 422.440 6.974 30 40 HKEB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575362675 XICZGSAWOBABCV-UHFFFAOYSA-N 421.028 5.484 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc2ccccc12 720606 SPYUIEITMAIVGI-AREMUKBSSA-N 404.513 6.589 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 2354614 NMXVGXJUXGIFNT-LSIOVLHASA-N 405.523 5.457 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccn1 2366249 BLWLNXYBDTWGRX-UHFFFAOYSA-N 412.518 5.168 30 40 HKEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1 4146352 PZUKRROWRAEOFK-UHFFFAOYSA-N 416.937 6.060 30 40 HKEB CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 4150690 JFNCLIGCMKCRMX-UFFVCSGVSA-N 405.317 5.116 30 40 HKEB Cc1cc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])cc1C 4309721 VMNYHWFNPLMPNG-YZSQISJMSA-N 411.461 6.644 30 40 HKEB CCOC(=O)c1ccc(N/N=C(\C)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4519737 GTCKIRQAHAYEDX-LFVJCYFKSA-N 403.438 5.275 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 6820018 UDZNFWZWHHHCBG-LVCNHQDNSA-N 412.514 6.060 30 40 HKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Cl)cc1Cl 8821145 YRMGPMKDKZUUSU-NSIKDUERSA-N 417.239 5.904 30 40 HKEB Cn1/c(=N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2ccccc21 13208751 WQIHQHPFRQRFLN-YJBIHYNGSA-N 409.518 5.027 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4[nH]3)c2C#N)C1 13881575 XFTGPAYGVNDGBK-CYBMUJFWSA-N 424.595 5.378 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 100830510 XLWWMFCKVCPXOV-SULWINFOSA-N 421.584 5.100 30 40 HKEB CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2Cl)cc1 102945925 UJRLWSFSEWXTNW-XTCLZLMSSA-N 418.880 5.124 30 40 HKEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Br 408532755 VQCMQGIHVHSEJI-DHDCSXOGSA-N 423.719 5.003 30 40 HKEB CN1CC(=O)N(/N=C/c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl 408973780 BPMNISZRVRHQLN-SZZBOLBSSA-N 417.123 5.107 30 40 HKEB N#Cc1c(/N=C/c2cc3c(cc2Cl)OCO3)oc(-c2ccco2)c1-c1ccco1 409383632 YOYVMBDBVIPAGZ-YSURURNPSA-N 406.781 5.804 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1 729572 DBWYZMNKKHXKKY-BVZFJXPGSA-N 400.547 6.344 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O 802266 DYYYDGDQVOVEJC-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2 4168171 NCNIXYGWUXMJQQ-DEOSSOPVSA-N 416.521 5.000 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 4690263 VTQNKOHSPFVSSZ-UHFFFAOYSA-N 403.290 5.928 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 5902651 AUHCHMFEQRCVPB-NSHDSACASA-N 407.366 6.330 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 6962575 QCIOPQRGMPIELG-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 10118948 RPWDCHWBXGBYGM-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB N#Cc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 12360349 IEDLVJXBSJZNAW-SANMLTNESA-N 400.437 6.000 30 40 HKEB FC(F)(F)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12377182 OBMMSIXSLVUGHO-RHANQZHGSA-N 421.466 5.427 30 40 HKEB C=C(Cl)Cc1cc([C@@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O 17303445 NZPFXUVPFXIEEW-SZPZYZBQSA-N 419.392 7.375 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 25501676 YPYYFUVEIMRYFT-AUEPDCJTSA-N 418.715 5.692 30 40 HKEB C=CCn1c(SCc2cccc(Cl)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 32951142 VIIFILDDGRGBET-UHFFFAOYSA-N 421.953 5.534 30 40 HKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc2c(c1)OCCO2 33045720 HTMYTRZKHBDYSE-VULFUBBASA-N 416.506 5.274 30 40 HKEB CCCCCCCCCCCCNC(=O)CCCC(=O)CCCCCCCCCC 33354534 MFCZFIHMYHIHMF-UHFFFAOYSA-N 423.726 8.294 30 40 HKEB CCc1ccc2nc(NCCCNC(=S)Nc3cccc(C)c3C)c(C#N)cc2c1 35311741 LYGNRHBSRBQXBE-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB O=C(/C=C/Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 44843400 QBNFQNPPMZJPGY-CCEZHUSRSA-N 408.295 5.837 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(F)cc3)nc2-c2ccccc2)cc1 59463659 TWMMPTXIVWDXKP-ZVHZXABRSA-N 403.438 6.275 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl 102532978 ARTVREJYTRZPIQ-MRJHHRETSA-N 403.865 5.275 30 40 HKEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 104142764 XUKLZDPISHEOIQ-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 210531327 ADPHZFSMPDEERG-ZSICUCBDSA-N 402.475 5.162 30 40 HKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2)cc1C(C)C 409294916 NFWSBLKOAVNCAZ-UHFFFAOYSA-N 411.505 5.386 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2C)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875371 PXKCQHNNHJKNJF-IYZVWZADSA-N 412.501 5.732 30 40 HKEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 796056 RDWFZGQVEBTKGS-KRWDZBQOSA-N 422.487 5.042 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1 802223 POQPHXSFHDMWKZ-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 2357805 LKQYULGPIDNFCE-JYAWBRCSSA-N 401.535 5.392 30 40 HKEB Oc1c(Cl)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 2756707 DQDMIAZFNPHTNN-YSURURNPSA-N 401.224 6.397 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 5408946 AOPSJHYXWFPEAW-OAQYLSRUSA-N 416.477 5.063 30 40 HKEB C=C(C)[C@H](CC=C(C)C)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1O)CC2=O 5480773 JUKXEUCJMRWMTL-GYCJOSAFSA-N 408.494 5.601 30 40 HKEB biogenic COc1ccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1 5514016 VEDDNDRITCMLEM-YSMPRRRNSA-N 410.429 6.220 30 40 HKEB O=C1/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)Sc2ccccc21 5517188 JLLKLXLNCWDVKI-ZDLGFXPLSA-N 406.812 6.948 30 40 HKEB N#Cc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 9196776 HRQJNBPVNZKGTO-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB C=CCOc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 12604085 BLICNILJFYNOEB-HAVVHWLPSA-N 416.502 5.100 30 40 HKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 13551193 RCHMLYZQBVTION-GRSHGNNSSA-N 403.286 6.250 30 40 HKEB CO[C@H]1Nc2ccc(C)cc2C=C1/C=N/Nc1nc(-c2ccccc2)c2ccccc2n1 46085373 LKEIDLDPOREOSG-VMBKIOOXSA-N 421.504 5.485 30 40 HKEB CCCCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 59193717 HQUNUEFIJDPJQY-FSJBWODESA-N 420.365 6.742 30 40 HKEB O[C@@](C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 96194492 PXODUACRISTCKU-LJAQVGFWSA-N 409.573 5.770 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 97952918 OXMQEWFMYODGHO-UHFFFAOYSA-N 408.546 5.799 30 40 HKEB CCOc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 100242804 FDAGICPLBXHEHQ-FDRCZSESSA-N 402.494 5.092 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CCCC(=O)O)C2=O)cc1 101016008 YJZRSMZRBMHHKT-MNDPQUGUSA-N 419.543 5.327 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1O 103687433 PZRRDDNKFBYWHG-ZVHZXABRSA-N 412.555 5.154 30 40 HKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)c(OCC)c1 408737161 MISMXSIPLNVQRM-WSDLNYQXSA-N 401.919 5.707 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1Br 408769396 SUQPQHCOMGSLIO-FSJBWODESA-N 401.735 6.569 30 40 HKEB N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O 408814965 SQKQKUWATVCXMA-CVXQDMMISA-N 417.534 5.526 30 40 HKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 408848117 PHKHXFOEPFWECH-UHFFFAOYSA-N 400.099 5.876 30 40 HKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 408884848 VQAQOEUWDZQUEL-BKUYFWCQSA-N 422.456 5.435 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2c(OC)ccc3ccccc23)C(=O)N1CC 408912561 NVYHVHFUDVVDTL-OQNHBUHUSA-N 416.546 6.035 30 40 HKEB COc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 409207826 AUCOFGVMZNIRMU-WPWMEQJKSA-N 410.473 5.617 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1O 409209831 HSWIEXQJEBRGES-WOJGMQOQSA-N 415.898 5.414 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3cc(C)ccc3O)c(C#N)c2-c2ccc(C)cc2)cc1 409355934 FVTAOVMYDKBKKK-MUFRIFMGSA-N 406.485 6.867 30 40 HKEB COc1ccccc1C(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N 871523 VKXUNEPRCCFQBZ-UHFFFAOYSA-N 419.506 5.058 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 1080974 XWFFSUIVXCBSFT-XMMPIXPASA-N 415.533 5.077 30 40 HKEB C=CCOc1cc2c(cc1[C@H](CC)c1ccc(OCc3ccccc3)cc1)OCO2 1582328 GRGHSCOABZPCNQ-JOCHJYFZSA-N 402.490 6.101 30 40 HKEB CCn1c2ccccc2c2cc(/C=N/c3ccc(I)cc3)ccc21 3196976 HPAFRKBGRIINQF-OEAKJJBVSA-N 424.285 6.170 30 40 HKEB CCc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4032165 JQSHDIRKKPTSLY-QHCPKHFHSA-N 407.554 5.339 30 40 HKEB C=CCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc(F)cc3)nc21 4629022 GKBRWFMLAWBTKT-UHFFFAOYSA-N 406.486 5.060 30 40 HKEB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccc(F)cc2)C1(C#N)C#N 4733693 OQDJRLNLVPDQLH-ZLNRFVROSA-N 413.496 5.151 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccccc4F)NC3=O)cc2)cc1 5376558 BKJIEWXFUKSKMB-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB CCCCOc1ccc2nc(C)cc(N/N=C/c3ccc(OC)c4ccccc34)c2c1 5499234 QPCVKSRDKJDDDI-WPWMEQJKSA-N 413.521 6.330 30 40 HKEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 6048372 WRDIHRGWMAJAKM-SDNWHVSQSA-N 409.272 5.709 30 40 HKEB COc1cc(C)c(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1C(C)C 8454167 COBDLTNNXPVUMY-VNSYZNKPSA-N 424.522 5.059 30 40 HKEB Cc1ccc([C@H]2CC(=O)C=C(Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2)cc1 9332609 BIEQCWPWIXUXRE-OAQYLSRUSA-N 424.569 7.023 30 40 HKEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(Br)o3)n2)c1C 10255409 IIZZLCSSQNQGHG-UHFFFAOYSA-N 406.305 5.022 30 40 HKEB CCCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N 12858559 NRHXYAXYXORPSS-VCFJNTAESA-N 410.586 7.413 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 12956271 OHOSMIMKIGXZND-MPUCSWFWSA-N 406.096 5.831 30 40 HKEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 33828522 OGXRUXBLGGGNBV-AWDJCAROSA-N 415.301 6.395 30 40 HKEB Cc1oc(/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(C#N)c1C 100251832 HUAFBQKUKPJZCQ-ZVBGSRNCSA-N 414.215 5.449 30 40 HKEB O=C(Oc1ccc(/N=C\c2ccccc2)cc1)Oc1ccc(/N=C/c2ccccc2)cc1 104082301 CJDYJOHCNOYMGT-XINFVKEFSA-N 420.468 6.766 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOCCOCC 104129138 JVNPLYDIVHQDGD-QXMHVHEDSA-N 411.671 6.583 30 40 HKEB CO[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 118928719 NNHCLKKAJULNME-SULVARQPSA-N 414.674 7.222 30 40 HKEB CCCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br 408532008 RYBUGBSQLQUZHZ-ATVHPVEESA-N 417.328 5.130 30 40 HKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409200174 GVLFVINTDSSCJY-ZTKZIYFRSA-N 423.512 7.207 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409213344 SMSGDOLPBGJFFN-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409214258 WSTOVXHLUSZXLE-VULFUBBASA-N 414.332 7.030 30 40 HKEB N#Cc1ccc(C=Nn2c(-c3cc4cc(Cl)ccc4o3)nc3ccccc3c2=O)cc1 409284480 UMAVCBGMNKRFAU-UHFFFAOYSA-N 424.847 5.217 30 40 HKEB CCCCCCCCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 1821822 ZEJPIZHGZRYBHE-UHFFFAOYSA-N 401.554 6.868 30 40 HKEB N#Cc1c(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c2nc3ccccc3nc12 2281446 WPWSUXMNGQHMCO-UHFFFAOYSA-N 423.863 5.351 30 40 HKEB COc1ccccc1/C=N/N/C=C1\Sc2cc(C)ccc2N1Cc1ccccc1 4705091 UEBMRPDXEMZNHY-JHRSMVTRSA-N 401.535 5.539 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc(OC)cc4)c3c2C1 4953890 HACOCPQNJRFEFM-COXSBDCDSA-N 422.598 6.077 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC 8363011 ZDRWOQIVEBOFBN-MIIQOVFOSA-N 408.523 5.192 30 40 HKEB CSC1=N[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(C)=O)=C(C)N1C 33864170 YBRZSCQOEVMCRX-GOSISDBHSA-N 419.890 5.077 30 40 HKEB C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC 87493035 BLMXNQVGERRIAW-LPJPOILFSA-N 408.670 7.929 30 40 HKEB biogenic CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NCCCCCCCC 100118688 CSRGRGSMEUKQSD-SBKTYWKESA-N 411.715 6.916 30 40 HKEB COc1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(OC)cc2)cc1 102787378 JKURSBUBEYCHAZ-CZYCKNNWSA-N 420.512 6.872 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916132 MNCABEXSEDNYIM-OHKSXBLWSA-N 421.625 5.719 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc2ccccc21 408692007 BEHMKHQMNFYUMU-WSDLNYQXSA-N 409.833 5.324 30 40 HKEB O=C1C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)c2ccccc21 408814489 FWRHYIGJDFCFSZ-UHFFFAOYSA-N 424.883 6.535 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2C2CCCCC2)cc1 408913527 MVRYJOGTOCGRES-DBSKITMISA-N 410.970 6.585 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(F)cc1 408963521 CBLFZUDPTVDRMH-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 409091588 VJPAKSWFVFIRTM-MSXFZWOLSA-N 402.376 5.467 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 409217850 XNMIRDXRPCHMFP-VULFUBBASA-N 414.332 7.030 30 40 HKEB Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)c1 1435393 YIODAQAFJNROTP-YSURURNPSA-N 411.244 6.281 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3CCc3ccccc3)c2C#N)C1 1771097 RXBFRUCVQJIZKE-QGZVFWFLSA-N 400.547 5.782 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 2133498 UYDXGQPUMFKCOG-BCYKDHKFSA-N 422.480 6.232 30 40 HKEB biogenic CSc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 6182767 KAVYDDBSATXKDS-HYARGMPZSA-N 400.500 5.099 30 40 HKEB COc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 17014806 BPPYSRVWDWIMMZ-AWEZNQCLSA-N 416.328 5.148 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1C 33027019 RCTZFOSHZCZOSR-UHFFFAOYSA-N 417.440 5.753 30 40 HKEB CCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 50704992 VWCIIFHNIITXDH-HSZRJFAPSA-N 404.642 8.137 30 40 HKEB O=[N+]([O-])c1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Cl 59104836 KINYPGHDVYBPRK-PJQLUOCWSA-N 408.433 5.117 30 40 HKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccccc2)c1 83296087 CCMZFBIWVYVAHS-KGENOOAVSA-N 420.921 5.811 30 40 HKEB COc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 102422514 HTTZVYBVSBDQGT-AFUMVMLFSA-N 404.853 6.098 30 40 HKEB CCCCCCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 102561719 ZYASUSRPCYLVLF-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1CCCn1ccnc1 105695748 XMCPDGUGEGIXBA-KCURZMHMSA-N 422.941 5.231 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408874573 CARUVMPXQKJAAM-LUTPDKMQSA-N 418.606 6.993 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1c(C)cccc1C 408914185 WAZCKBJFBWDFEG-JUMVDPBBSA-N 416.546 6.089 30 40 HKEB O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 409208744 BWGHOOUZKXVPNA-FSJBWODESA-N 401.249 6.231 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409213543 UIZZNRSNRRQYCZ-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB CC(C)Oc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409282772 QKLFGDWSQBJZRK-UHFFFAOYSA-N 423.472 5.479 30 40 HKEB N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCc1ccccc1 1437048 PEMIPMDRAIDMHN-UHFFFAOYSA-N 404.438 5.557 30 40 HKEB Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)oc2cc1C 3102986 JQCPPGUQUZMUJD-OPEKNORGSA-N 411.288 6.875 30 40 HKEB CC(C)(C)C1=C(Cl)C(=O)[C@@](Cl)(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 4289023 DJKWFDAABPEIBS-NRFANRHFSA-N 422.739 5.887 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1cccs1 4814275 CJVGTKIONPZAMV-SFHVURJKSA-N 415.345 6.200 30 40 HKEB Cc1ccc([C@]2(CC(=O)OCCC[C@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 4814914 IBFLPBRJAUJAIW-KCWPFWIISA-N 419.565 5.843 30 40 HKEB Cc1ccc([C@H]2C3=C(Nc4nn(-c5ccccc5)c(O)c42)c2ccccc2C3=O)cc1 6199464 GRYVEWOFOKLJNC-FQEVSTJZSA-N 405.457 5.051 30 40 HKEB CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C 6490013 MLKUQGRBKYSZFA-GPXYPYHLSA-N 418.585 5.557 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cc2cccc(OC)c2o1 9263504 MLFIIXBJHAVUNH-UHFFFAOYSA-N 423.469 5.000 30 40 HKEB Cc1ccc(Cn2nc(C)c(/C=N/Nc3ccnc4cc(Cl)ccc34)c2C)cc1 12523344 PKXRJFOZEWJSDL-LGJNPRDNSA-N 403.917 5.504 30 40 HKEB COc1ccc(-c2cs/c(=N\c3ccccc3)n2/N=C/c2ccccc2)cc1OC 13801402 UEOIUIPMEKCWHI-YJBIHYNGSA-N 415.518 5.348 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OC 13914368 IEVIRWIESLTWHY-QGOAFFKASA-N 410.901 5.500 30 40 HKEB O=C(/C(=C(\Br)I)c1ccccc1)c1ccccc1 16958577 YRZKZKWBMCUQDP-FYWRMAATSA-N 413.052 5.068 30 40 HKEB C=CCn1c(C)nnc1SCc1nc2cc(Cl)ccc2n1Cc1ccccc1 29382717 FQGMQRGKJZNOIH-UHFFFAOYSA-N 409.946 5.116 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 51366973 YVUASLQDINPIKL-DZRHBTRISA-N 409.555 5.028 30 40 HKEB CCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530049 SWWVRKQYWUSHOT-WUKNDPDISA-N 406.470 8.857 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c2ccccc12 226362475 CKIXAAVJTNDSJY-ZRDIBKRKSA-N 417.262 5.889 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OCc2cccc(F)c2)c1 408528351 DUYJXDHYWRSVCI-STZFKDTASA-N 404.466 5.296 30 40 HKEB Cn1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc21 409308340 WYBVSWCTSHLYJW-UHFFFAOYSA-N 418.456 5.184 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](CC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037874738 ANEGTZNIKDSWGQ-AMEVOLBXSA-N 416.464 5.644 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(C)cc2)[C@H](CC)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875639 YOOQRNYCVVYRKT-ZBJYJBBSSA-N 412.501 5.814 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1ccsc1 1080116 AAJLGFYGKJVDOC-CQSZACIVSA-N 419.468 5.931 30 40 HKEB Cc1cccc(NC(=S)N/N=C(/C=C/c2ccccc2[N+](=O)[O-])c2ccccc2)c1 2133099 FNANEVLRXKKDST-QWCMDBGDSA-N 416.506 5.307 30 40 HKEB Cc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)s1 2732166 VMIUDFWTFHBFFL-CQSZACIVSA-N 424.835 5.016 30 40 HKEB N#Cc1ccc(CSc2nnc(NC(=O)c3cccc4ccccc34)s2)cc1 3360524 BVBUXVCANGPGGF-UHFFFAOYSA-N 402.504 5.108 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 4083365 PYMLYFWENVBIBZ-ZMOGYAJESA-N 404.857 5.697 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 4116316 JFDHLSJSCLORCK-PKAUSPCKSA-N 412.489 5.071 30 40 HKEB COc1ccc(/N=N/C(=N/Nc2nc3ccccc3s2)c2ccc(OC)cc2)cc1 4524583 HXUCKLNVRHAGHX-YVDGFICZSA-N 417.494 5.871 30 40 HKEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 5693446 PNZQFBAVGRQVQI-WEVVVXLNSA-N 405.281 5.788 30 40 HKEB Cc1cc2nc3ccc(N(C)C)cc3nc2cc1/N=C/c1ccc(Cl)cc1Cl 5926743 YBTGVDLVHZIFMI-BRJLIKDPSA-N 409.320 6.215 30 40 HKEB Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 10119002 HRQYENYNIZTBDI-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB Fc1ccccc1COc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 11992913 MHUCUSLDAOFDKQ-AFUMVMLFSA-N 403.482 5.974 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)oc1=O 16492753 VHBNLFJYEUDGJS-UHFFFAOYSA-N 416.440 5.093 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1 59137860 KUVYNJHUDYLKML-PDGQHHTCSA-N 410.495 5.770 30 40 HKEB CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 98048299 GTDQFHVHQXDDMM-UHFFFAOYSA-N 408.586 6.508 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 100313216 VTMSXEWOHAGYLR-MZJWZYIUSA-N 420.509 5.976 30 40 HKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4O)c3)oc2c1 100503043 NRPRAKQFKHPVLB-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB CCCCCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 102068234 MQYJBRIBYJJYCI-KYPHJKQUSA-N 409.570 6.025 30 40 HKEB CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525965 AFRUDOKTWQGZAU-UHFFFAOYSA-N 416.412 8.546 30 40 HKEB C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 229766483 BJWJSOYJPSJWKC-FJJTTYGWSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro N#CC(N=Nc1cc(Cl)cc(Cl)c1O)=NNc1cc(Cl)cc(Cl)c1O 242538940 JIVDOFLPGFPRRU-UHFFFAOYSA-N 419.055 5.744 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@@]4(C)[C@H]3CC[C@]12C 253615003 QGVQZRDQPDLHHV-MWOBXYEVSA-N 402.732 8.326 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O 408756500 SLDLLJLQBVPMBF-JCMHNJIXSA-N 402.519 5.693 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 408848980 XOEJPXJSSUDPIZ-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1ccc2ccccc2c1 408932233 VANPBDVIMCVSDS-ZTKZIYFRSA-N 422.528 6.006 30 40 HKEB Cc1nc(N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc1C 408982849 FNTRSONGVDGUBX-LSHDLFTRSA-N 406.338 6.092 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 409208127 BDHHBOBOGPRGEY-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB Cc1c(Cl)cccc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409217127 SCKQNGKYTSLOLT-QRVIBDJDSA-N 420.317 5.820 30 40 HKEB COc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409218657 XBLCVKKTAMJMBO-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Oc5ccccc5)cc4)ccc32)c1 409250138 WFXQQVLCDGLVAD-FSGOGVSDSA-N 420.487 7.372 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 1852379 KCZMPRIGUFABQG-VOTSOKGWSA-N 407.322 5.466 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccccc1 6201753 HIBNFTDMKLITEO-IBGZPJMESA-N 410.304 6.601 30 40 HKEB COc1cc(/C=N/Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 7141382 DKJRUMFBPUCWKY-ZMOGYAJESA-N 401.293 6.027 30 40 HKEB CCCCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 8384516 TTZMPHUYFZNRFO-HTXNQAPBSA-N 418.566 5.491 30 40 HKEB O=C(Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1)c1ccco1 13126096 QWMBWLLSPJNPDR-UFFVCSGVSA-N 419.662 5.404 30 40 HKEB Fc1ccccc1Oc1ccc2ccccc2c1/C=N/Nc1nc2ccccc2s1 13856412 WYANIMYPRXVFEQ-CVKSISIWSA-N 413.477 6.827 30 40 HKEB Cc1ccc(/N=C/N(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)cc2)cc1 16291601 BYOSFKNGNXZXAD-HYARGMPZSA-N 422.466 5.994 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2c([nH]c3ccccc32)c1=O 16890315 NAMXRCMHEKLTKH-UHFFFAOYSA-N 416.333 5.663 30 40 HKEB O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1OCc1ccccc1 33376682 BEFDTACMNUYZGV-WQLSENKSSA-N 400.371 6.320 30 40 HKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccccc3C)c(Cl)c2s1 72229009 CFIFURNMCSKGRV-UHFFFAOYSA-N 407.326 5.972 30 40 HKEB N#CC(Cc1ccnc(Cl)c1)(Cc1ccnc(Cl)c1)c1ccnc(Cl)c1 89261660 XIQTZZCPIPLXJX-UHFFFAOYSA-N 403.700 5.079 30 40 HKEB CCCCCCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 97951218 MRNCKQSFUMMCMO-HSZRJFAPSA-N 423.662 5.072 30 40 HKEB CCCCCCCN(CCCCCCC)C[C@H](O)c1ccc(Br)cc1 100350839 KZZSYLKAHGLNRT-QFIPXVFZSA-N 412.456 6.725 30 40 HKEB O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1ccccc1Cl 100406875 JRZRSJHFVJCIKH-NHFJDJAPSA-N 414.814 6.026 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc(Cl)cc3Cl)C2=C(O)C1 102663487 URCIQXQXDAZPPL-LJQANCHMSA-N 424.327 6.771 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102899624 PXKXUBYATLLJIS-FXSPECFOSA-N 424.690 5.978 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@H]4[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 119186821 RSCRZLUNFHPKSW-CLZXISQTSA-N 402.663 6.456 30 40 HKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1 408754557 WHOKYMMESGTJPX-RQZCQDPDSA-N 401.875 5.263 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1Cl 408847236 UJSYLCUFBMTTMY-SFHVURJKSA-N 414.288 5.125 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1 409023361 LDSYIPSNKCJYCX-ODLFYWEKSA-N 405.866 5.363 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S1 409241673 STMMBHRWOXRMKT-KGENOOAVSA-N 420.921 6.332 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(OC)cc1 409246611 JNDVJSXBFPDTSK-BUUFFXLRSA-N 409.555 5.165 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1 729573 DBWYZMNKKHXKKY-CJAUYULYSA-N 400.547 6.344 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4cccc(F)c4)nc3c1)OCO2 1434984 MTHKVSJKYZVERV-AUEPDCJTSA-N 405.341 5.021 30 40 HKEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1c2ccccc2c2ccccc21 3647637 KDVUPZMRZSFOPC-LJQANCHMSA-N 418.496 5.605 30 40 HKEB COc1ccccc1[C@@H](CC/N=C/c1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 3999413 SLTNOYPJAFPNDM-CTPCCZEKSA-N 408.586 5.559 30 40 HKEB biogenic CCC1C/C(=C\c2ccc(C(=O)OC)cc2)C(=O)/C(=C/c2ccc(C(=O)OC)cc2)C1 6172722 KMPOGOLZVISUFQ-QAOSGDJLSA-N 418.489 5.116 30 40 HKEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 7989541 JWVWVAOKXQCTHD-KIBLKLHPSA-N 405.367 5.435 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 8993384 LBBIHCDSEUAHKR-UHFFFAOYSA-N 418.415 6.079 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 9009610 BKWVWYXLCFFOBU-MZNJEOGPSA-N 411.530 5.822 30 40 HKEB COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 20761247 QOUNVASLRAYXAM-VULFUBBASA-N 415.320 5.705 30 40 HKEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 31833838 DKRNLGSOSSYYHL-UKWGHVSLSA-N 422.735 5.681 30 40 HKEB CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O 100298559 INFMETJIXULXRF-CVKSISIWSA-N 414.461 5.848 30 40 HKEB N#Cc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 107784425 ZHTHJLCURYYMAC-UHFFFAOYSA-N 406.319 5.207 30 40 HKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1 224671420 BZUIIJREIOQXOC-UHFFFAOYSA-N 407.579 5.536 30 40 HKEB COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OC(C)C 408959933 ASTPWBVWIPPSAK-LICLKQGHSA-N 420.893 5.167 30 40 HKEB CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OC(C)C 409034260 QCRJAPVFXSFOFU-HCBMXOAHSA-N 424.744 5.240 30 40 HKEB CCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OCC)c1 409216825 LXGBKUVLENMZAA-LNIIIOKPSA-N 410.583 6.319 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 855914 OPLRYPZQTLAJOR-PVFQWDOOSA-N 408.354 6.267 30 40 HKEB O=C1/C(=N/c2ccc(Oc3ccccc3)cc2)c2ccccc2N1CN1CCCCC1 1066218 VBBWEQSEMRLRAK-IMVLJIQESA-N 411.505 5.390 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 3082850 UDXITRIOYQOKIH-WPWMEQJKSA-N 405.469 6.112 30 40 HKEB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C#N)cc1F 4487762 ZONXMJZDINPXNO-UHFFFAOYSA-N 403.438 5.235 30 40 HKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5478386 DZDRZIXWNRDWLI-UHFFFAOYSA-N 419.638 7.018 30 40 HKEB CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 7078596 BYHJTFLBXHTBJF-FYHAJLKWSA-N 404.466 5.861 30 40 HKEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCC=C(C)C)c3C)C1=O)cn2C 8765104 NFHHSNQYHXVOLG-FSJBWODESA-N 403.478 5.457 30 40 HKEB biogenic C=CCN(C(=O)CSCc1nc2ccccc2s1)c1nc2c(s1)CCCC2 23995977 CAVGTYLDZMTUOX-UHFFFAOYSA-N 415.609 5.084 30 40 HKEB CCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 97951874 SQGXXQLPOUADEN-UHFFFAOYSA-N 420.641 8.054 30 40 HKEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 97951928 MZRMKRVONPBPNY-JOCHJYFZSA-N 402.579 5.228 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 100284896 JAFXHYHJAGKIFH-XMMPIXPASA-N 422.613 7.228 30 40 HKEB S=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc2ccccc2c1 104311329 GWLUNVUGYRXBEC-YZYVWJRPSA-N 423.566 7.138 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 118917464 LGWMHNQKTCVZTP-WISZKZHUSA-N 421.537 5.481 30 40 HKEB CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 408531197 LFKLPJCZGJQCMY-UHFFFAOYSA-N 413.945 5.562 30 40 HKEB COc1cc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)cc(Br)c1O 408562937 GUUNKITYYMEOIE-FAIWILQLSA-N 421.209 5.064 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 408751888 DMABCQAKWUBQGU-SRZZPIQSSA-N 413.821 5.010 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 408943352 SAYSFDXAAGYNBI-OLNVZDEISA-N 408.545 7.053 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409202002 PZTOEBWUWIUXGA-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB Cc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc2n1CC#N 409289307 LYCCNPNFCJMEQE-UHFFFAOYSA-N 423.520 5.113 30 40 HKEB CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)O1 685944431 LDWOJDLJNNCVAB-UHFFFAOYSA-N 422.653 8.257 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 820512 SAVFYTRXZAKODP-LJQANCHMSA-N 422.352 5.549 30 40 HKEB N#Cc1c(/N=C/c2c(F)cccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 3117628 UJWNUNVBRCJEDN-RWPZCVJISA-N 400.840 7.028 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccc(-c2ccccc2)cc1 3236192 WXHSODQXVNLMOR-UHFFFAOYSA-N 409.554 6.979 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CC[C@H](C)C2 4545648 DFPGWEAWYGYZKP-WBILBPDKSA-N 419.550 5.670 30 40 HKEB O=C(O)c1cc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 4700397 ICTTZBWFAROQLJ-WYMPLXKRSA-N 415.276 5.717 30 40 HKEB C=CCc1c2occ(-c3ccc(OC)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 5037537 HUFHLNVSELTDCZ-UHFFFAOYSA-N 408.453 6.610 30 40 HKEB biogenic,in-vitro Cc1cc(/N=C/c2cc(Cl)cc(C)c2O)ccc1NC(=O)c1cc2ccccc2o1 5960449 CERVORTUQJOPIR-LGJNPRDNSA-N 418.880 6.412 30 40 HKEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 6174251 ABKWXTKLZXQKEX-SJJYNHATSA-N 410.469 5.898 30 40 HKEB biogenic O=C1/C(=C\c2ccccc2)CN(C(=O)/C=C/c2ccccc2)C/C1=C/c1ccccc1 6514243 VWRVRYWIRXZQDO-QRIGUGNVSA-N 405.497 5.278 30 40 HKEB CC(C)N1C[C@@H](COc2cccc3ccccc23)S/C1=N\CCc1ccccc1 6590332 XXEDLNATCCNUOB-PSCYQSDVSA-N 404.579 5.643 30 40 HKEB Cc1c2cccc(Sc3ccccc3)c2c2c3c(cccc13)[S@@+](c1ccccc1)C2 8582207 DHFNUGQPYQDNMG-SSEXGKCCSA-N 421.610 8.003 30 40 HKEB in-vitro CC(C)(C)[C@H]1CCc2nc(SCCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 9422588 NKQOQXPMQNBJFH-INIZCTEOSA-N 418.528 6.458 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cccc(Oc2ccccc2)c1 12347630 FDROMAPYQDLZEF-IBGZPJMESA-N 401.466 5.108 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccc(C(=O)O)cc1 14011470 WGZOVOKXNKSZTR-WRANEOQNSA-N 422.437 5.018 30 40 HKEB C=CCN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc(-c2ccccc2)cs1 15608249 MAQSQFRRNYJGNG-UHFFFAOYSA-N 422.535 5.073 30 40 HKEB CCOC(=O)c1ccc(N2C(=S)N/C(=N\c3cccc(C)c3)C23CCCCC3)cc1 17207162 DLEIWRGUZUTHFF-UHFFFAOYSA-N 421.566 5.299 30 40 HKEB O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1C1CCCCC1 33600792 FQSYFLALSBWNRK-NJMAKWBESA-N 412.942 5.982 30 40 HKEB O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1cccc(Br)c1 55135325 PIMOWBFFJMQSRP-VAWYXSNFSA-N 408.339 5.641 30 40 HKEB CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 59664011 LCHNHFQNHNDDLE-KOEQRZSOSA-N 401.934 6.918 30 40 HKEB C/C(=N\OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1ccccc1O 104207213 QRPSMPAGVRMXMT-LSHDLFTRSA-N 405.237 5.243 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C)cc2Br)c1C 408961930 VQOBQJSRYUVHER-QFEZKATASA-N 409.371 6.786 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC#N 409077520 FCNLHAGXTYFTAP-JOBSNELWSA-N 407.539 5.432 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409201993 PUSHPBYKNPQGCV-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB C=CCSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 3434191 FKFPWXYREFLWQJ-UHFFFAOYSA-N 404.520 5.284 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(Br)cc2)c2ccccc21 4020289 KYZUNOKYFLERCQ-JOCHJYFZSA-N 420.331 6.316 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(O)nc(SCc3ccccc3)nc1N2 4194144 GTAIHGFBDAHXDF-LJQANCHMSA-N 415.518 5.039 30 40 HKEB C=CC[N+]1(C/C=C/c2ccccc2)CC[N+](CC=C)(C/C=C/c2ccccc2)CC1 4811387 BYXUWNIHHXFRNV-JYFOCSDGSA-N 400.610 5.432 30 40 HKEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c1 6781614 HHALJFYIHUVBCS-XMMPIXPASA-N 418.537 5.494 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820947 PPCRLFBMAOJEIH-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB Clc1ccc(CN/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 10118710 QAKJTPNXVYCNQE-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2OC)C3=O)cc1 12862880 ZLSDTIPASUCGSP-OYKKKHCWSA-N 414.457 5.542 30 40 HKEB biogenic CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc(C3CC3)nc21 32674698 GOCPTRMXEQFASU-ZDUSSCGKSA-N 419.554 5.200 30 40 HKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 33957376 PZMASCFNOYVBCT-FEUOJKLQSA-N 406.957 6.377 30 40 HKEB CC(=O)C(C(C)=O)C1=C/C(=N\c2ccc(C)cc2)c2c(O)c3ccccc3c3onc1c23 101403982 YDYCRGQNDZNQFH-NHFJDJAPSA-N 424.456 5.307 30 40 HKEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224715755 FKNPHXZJNVYIMW-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C#Cc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245238911 CKXFHIVEFDOLKD-JCOJYLPPSA-N 416.605 6.549 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 408541996 ITXWPROONBQRGJ-QFEZKATASA-N 413.433 5.135 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)ccc1Br 408591184 IWYYIDJTOKZHNN-DHRITJCHSA-N 422.326 5.587 30 40 HKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(F)cc1 408954189 RTCFRXNTGPKYFE-XOLKAKTPSA-N 421.497 5.249 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409066958 OFEMYWTZXSVGIJ-HZHRSRAPSA-N 415.514 5.950 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409089298 ZYYARRZTWAHBGN-YKQZZPSBSA-N 424.588 7.018 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccccc1Cl 409113815 FUDJSLOJNNLPSD-UHFFFAOYSA-N 407.941 6.658 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409210567 JOBOGFXKKOLCEM-CVKSISIWSA-N 422.912 5.815 30 40 HKEB CCCCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243133 SKJOHAPKRUHCDT-UHFFFAOYSA-N 422.331 6.850 30 40 HKEB COc1ccc(C(=NCc2ccc(Br)cc2)c2ccc(OC)cc2)cc1 2270629 ZMMQAZODUJEKQR-UHFFFAOYSA-N 410.311 5.504 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C#N)C1 2742381 DFMSRHMLWPXEPW-OAHLLOKOSA-N 411.527 5.250 30 40 HKEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(OCC=C)c1 4611337 UQERSFYZNYKTAW-JWGURIENSA-N 417.505 5.458 30 40 HKEB CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 8559382 NVCYMBVCZRSATC-DEOSSOPVSA-N 417.940 6.096 30 40 HKEB C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 13831697 IKLPJEZDIFNJFU-IRXDYDNUSA-N 421.928 5.928 30 40 HKEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 20761223 QPXOQXHNKNHCLR-VULFUBBASA-N 415.320 5.705 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)(C)O 26891873 JWUBBDSIWDLEOM-REWYDCQSSA-N 400.647 6.734 30 40 HKEB biogenic,in-vitro CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC 59617454 UWJCYVDGGSAERX-UHFFFAOYSA-N 402.644 9.099 30 40 HKEB COc1cc(/N=C/c2cccc(OC)c2O)ccc1NC(=O)c1cc2ccccc2o1 72334092 VKPIZWNDCXLANN-AFUMVMLFSA-N 416.433 5.159 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 97950427 UAHIETKDBUFNFR-UHFFFAOYSA-N 413.656 7.133 30 40 HKEB CCCCCCCCC/C=C/C[C@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)O 100944202 YIKXAXNDRMHXGG-CHHLAKQQSA-N 401.591 6.926 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 102925447 OYEDIWAISPLENA-DBSKITMISA-N 404.922 6.144 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 208192923 SGLWJVROOQOUTF-LYBIMPTFSA-N 405.567 5.642 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1C(C)C 408737310 BNLDCBSIGHXHJR-JAIQZWGSSA-N 414.958 5.980 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)c(Sc3ccccc3)o2)cc1 408999356 CMCJEVKPCRYMMD-ODLFYWEKSA-N 418.272 5.548 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Br)c(C)c1 409102458 AALPNAXICJYMEC-LPYMAVHISA-N 403.320 5.126 30 40 HKEB COc1cccc(/C=N/c2ccccc2C(C)C)c1OCc1ccc(C(=O)O)cc1 409188458 ZHMOYGZMGGMGSE-CVKSISIWSA-N 403.478 5.846 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409211686 MSHZUONGHANRCY-ZMOGYAJESA-N 410.857 5.895 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1Cl 409214123 VWVNWBRFSMDASZ-CNHKJKLMSA-N 403.501 5.630 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O 409244399 BYQMSKRHGQBFEF-UMUYUUQJSA-N 420.509 6.002 30 40 HKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cc3ccccc3[nH]2)n1 585293718 KWVHDYXMIDQBJB-DEOSSOPVSA-N 423.524 5.004 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1 729571 DBWYZMNKKHXKKY-IQGLISFBSA-N 400.547 6.344 30 40 HKEB COc1ccc(OC)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 2911152 UJCBRSYDKGNYTG-OGLMXYFKSA-N 408.457 6.253 30 40 HKEB N#CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 3236065 OEUDHERWDWVRHS-UHFFFAOYSA-N 417.214 5.338 30 40 HKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 5370397 NKPCGAOAWVPOES-GFMMHKAXSA-N 417.509 5.632 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1cccc(F)c1 5376971 VHGSNAKZXIKIPX-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB COc1ccc(/C(=N\OCc2ccc(C)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 5541209 ZXOATCSQKGNJET-LUODXLLQSA-N 405.925 6.382 30 40 HKEB C=CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccoc1C 6911530 SANVPHARWLIDDK-UHFFFAOYSA-N 407.495 5.048 30 40 HKEB CCCCCCCCCCCCCCCCSc1nc(-c2cccc(C)c2)n[nH]1 8443722 DCWBLCCNFJMBTQ-UHFFFAOYSA-N 415.691 8.354 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)c(Cl)c1)OCO3 18197421 AFUXWCSWEXLLBS-HXUWFJFHSA-N 416.304 5.923 30 40 HKEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 20072917 SQONFCTZAJAFIC-ZVHZXABRSA-N 419.872 5.380 30 40 HKEB COc1ccc(/C=C/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 21963978 LXIPMDNGLMZECK-QBECRMTRSA-N 418.409 5.041 30 40 HKEB C=CCn1c(COc2cccc(Cl)c2)nnc1SCc1ccc(Cl)cc1 32604400 YBXZRVGZMYQLPL-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/Nc1ccc(Cl)cc1Cl 100109124 AXZVZOBRESMLMB-CMDGGOBGSA-N 423.752 6.887 30 40 HKEB FC(F)(F)c1cccc(/N=C\c2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)c1 104192135 GIJIOLGRUWWULN-VVAFTLCXSA-N 420.356 7.225 30 40 HKEB CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 230501225 GRONKESKVLEQQO-FKBYEOEOSA-N 415.924 5.482 30 40 HKEB N#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl 408810504 JIHURWJAHARIHJ-GDNBJRDFSA-N 405.262 5.137 30 40 HKEB Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1C 408961703 UTQHGXYUPGMHMT-HNYZTYFESA-N 405.567 5.528 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)c1 408965592 JCSCWIHDGAUEMG-CVKSISIWSA-N 418.493 5.116 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)Nc2ccccc2)C1 409092176 WDORYPLPOGCRFV-GMQKBEEJSA-N 422.619 6.964 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OC 409211425 NSISJPRKRPNPGN-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409218889 XUFBPRCPJUDRKD-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)S1 409234048 YEVDQWJOFADJHH-VGOFMYFVSA-N 413.713 5.552 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCCCC4)cc3OC)cc2)c1 409240470 PYFLXSJWGWNUOA-ZXVVBBHZSA-N 416.521 6.237 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1Br 409283677 SHLYOAXXCTVDOE-UHFFFAOYSA-N 410.315 5.089 30 40 HKEB CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409287663 XTYUFONHCDUUOT-UHFFFAOYSA-N 409.917 5.379 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)cc(Cl)c1O 803550 LKQBTFDKPOEKEO-IBGZPJMESA-N 403.309 5.921 30 40 HKEB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 981513 JPKWMEXFYOXGSM-MTJSOVHGSA-N 400.459 5.363 30 40 HKEB C=CC[n+]1c(-c2ccc(OC)cc2)csc1Nc1ccc(Br)cc1 1466408 KZQNNFKNZUFTJA-UHFFFAOYSA-O 402.337 5.403 30 40 HKEB Clc1ccccc1/C=N/n1c(SCc2ccccc2)nnc1-c1ccccc1 1780522 JSAPKBLJEFJEJV-BUVRLJJBSA-N 404.926 5.773 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1C 2210552 IJZFUKRREKCWDL-OPEKNORGSA-N 411.288 6.875 30 40 HKEB Cc1ccc(-c2nnc(SCC#CCOC(=O)c3cccc4ccccc34)o2)cc1 4704594 IZWQHARBHZXWSU-UHFFFAOYSA-N 414.486 5.151 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCC3)cc1 4723892 MYKBBWNGLPSPJS-ZVHZXABRSA-N 406.507 5.257 30 40 HKEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Br)cc3)n2)c(C)c1 4996111 NQMQROKQCFJAOW-ULJHMMPZSA-N 411.328 5.529 30 40 HKEB CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5693210 ATFYWZOHUHGKQV-RIYZIHGNSA-N 403.394 5.167 30 40 HKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 12406402 LTEJOJGHZUXRLK-MNXJYXHMSA-N 403.309 5.755 30 40 HKEB CC(C)(C)[C@]1(c2ccccc2)NC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 13301842 POISUUDKLNMBFV-SPICPHANSA-N 415.562 6.536 30 40 HKEB C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@@H]2c2ccccc2)c1=S 14308307 KHLMDGJDJVNHIP-HXUWFJFHSA-N 406.555 5.070 30 40 HKEB C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1 24828755 AIHCQUXYAQLVHD-UHFFFAOYSA-N 416.909 5.045 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(C(=O)c1cccs1)c1ccccc1N2 30823032 OGLRLBHVWNJZEK-OAQYLSRUSA-N 406.532 5.630 30 40 HKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2ccc(F)cc2nc1C 48263880 ACPURZQMBJGQQA-UHFFFAOYSA-N 412.424 5.302 30 40 HKEB Cc1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 59503599 TUOMHRYQKISLAV-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 96544412 VIMTWHUJXXKFTN-NMQOHBJASA-N 422.550 5.395 30 40 HKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc2ccccc2c1 100512581 XDEFAAJGGBPBCW-YYADALCUSA-N 411.490 5.154 30 40 HKEB O=C1C=CC2=N[C@@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 102805391 SNOJHUGTPWMMOU-QSEAXJEQSA-N 408.501 5.196 30 40 HKEB CCCCCCCCCCCCCCCc1ccc(C(=O)C[n+]2ccccc2)cc1 104141015 PXOXGSUWSOFGGP-UHFFFAOYSA-N 408.650 7.491 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Cl)c1Cl 104330988 CLKKKWQYPQGNMD-GOSISDBHSA-N 424.327 5.931 30 40 HKEB CN1CCc2c(sc(/N=C\c3ccc(-c4ccccc4C(F)(F)F)o3)c2C#N)C1 207987498 QMHKKPRFMFVDDR-RAWMCFOBSA-N 415.440 5.637 30 40 HKEB C=CCOc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225868871 GQZDPQPVESPHFX-UHFFFAOYSA-N 415.002 6.137 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O 408814879 GPTKVPMXNWSHBX-YVLHZVERSA-N 407.322 5.592 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cccc1OC 408911845 OQCYYJAVOKECIC-ZSICUCBDSA-N 410.539 5.335 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408939629 NDIXPJAWPROJAV-RUGMJDSKSA-N 418.540 6.584 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 409119573 UJNNPOQQJUPDCL-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 409225124 OOEMMOVOXRHQJG-YDZHTSKRSA-N 409.829 5.016 30 40 HKEB COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)c1 662119 TXNAKZRDSIPLHD-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB N#Cc1c(/N=C/c2ccc(Br)cc2)oc(-c2ccco2)c1-c1ccco1 1512980 GOTQINDDAJDHHH-FSJBWODESA-N 407.223 6.184 30 40 HKEB FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2ccc(Br)cc2)c1 3233553 VRZHABBCTPEMFF-FSJBWODESA-N 413.237 5.055 30 40 HKEB CCOC(=O)/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)c1ccccc1 5005435 UEBJBAWYSOEVAY-AQTBWJFISA-N 415.272 6.083 30 40 HKEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@@H]3CC4=C(CCCC4(C)C)C[C@H]3C)cnc12 5156812 LJUWURFVJHIWJY-MNTZXMNTSA-N 418.541 5.273 30 40 HKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccccc1 9232231 BXUKFDZZLAGCQC-UHFFFAOYSA-N 413.429 5.159 30 40 HKEB CC(C)Oc1ccc(Br)cc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F 16575654 IHRZCBNDSTXLLX-TXNBCWFRSA-N 423.179 5.378 30 40 HKEB CSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccc(C)cc2)n1 19820655 KJXZCZSWUJZDJL-UHFFFAOYSA-N 400.429 5.808 30 40 HKEB CCN(CC)[C@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)(C)C)cc1 35672615 XXUFUWPNNRKZBZ-JOCHJYFZSA-N 417.557 5.401 30 40 HKEB Cc1c(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cccc1C(=O)O 59248556 RUWQPZUJTSHTEY-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCSC)n2)cc1 94992853 LQLYWTCTSLQVKW-UHFFFAOYSA-N 424.513 6.049 30 40 HKEB CCCCCCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[N+]1(C)CCCCC1 97951217 MRNCKQSFUMMCMO-QHCPKHFHSA-N 423.662 5.072 30 40 HKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 100481626 OLYOYBAFECCGND-BLFRMDKKSA-N 401.447 5.403 30 40 HKEB CCCCCCCC[N+](C)(C)Cc1cc(P(=O)(OC(C)C)OC(C)C)no1 101124217 UDSRGSBYKKECQW-UHFFFAOYSA-N 403.524 5.280 30 40 HKEB C=CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(-c2ccc(F)cc2)[nH]1 103454416 QTJCVBHPWHHPBS-YTUZJGITSA-N 420.488 5.459 30 40 HKEB C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1cccc(Br)c1 254384646 QSZZXAYJTHHTGH-UHFFFAOYSA-N 416.300 5.306 30 40 HKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 408769597 WLHNINRLWLYQET-FMCGGJTJSA-N 411.299 5.614 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 409096732 LWTMCKDZFGPSEA-QWKKMKHHSA-N 409.530 5.440 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ncccn2)c(/C=N\c2cccc(Br)c2)c1 409112962 HJXPORYXQKEQPS-NHDPSOOVSA-N 415.272 5.049 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409202429 QNLJFUDZDWTSEM-CVKSISIWSA-N 422.912 5.815 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3Cl)o2)c(Br)c1 409243438 YQIOKGOSCBEOKB-YVNNLAQVSA-N 409.110 7.075 30 40 HKEB CC[C@H](C)n1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385540 VFBMLJVSEHWXDY-XTFCHBONSA-N 420.516 5.871 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cccc([N+](=O)[O-])c1O 808987 BUPJWOOHQPTHCD-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3)c2C#N)cc1 2054204 HEKMZIDPQFENPB-UHFFFAOYSA-N 408.526 6.588 30 40 HKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 2256754 IYMXAJJERLLWGP-UHFFFAOYSA-N 419.573 5.619 30 40 HKEB CC[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3C)c2C#N)C1 2736442 IYMVNHZABOOWJK-OAHLLOKOSA-N 416.974 5.894 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4cccc(O)c4)c3c2C1 4679278 KETZZCMRQKCPNM-HEOQCTJZSA-N 408.571 5.774 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1O 4756491 KDBIRKBCKLRBQQ-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB FC(F)(F)c1ccc(Cl)c(N/N=C/C(Br)=C/c2ccccc2)c1 5899126 XODIBMNBXZLXCD-JEHDLBPWSA-N 403.629 6.193 30 40 HKEB C=CCNc1nc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cs1 7780394 DVBKNGOLFAROKY-OAQYLSRUSA-N 406.507 5.139 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 9110056 OUTPPGOEBVUWBY-HXUWFJFHSA-N 407.828 5.262 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)c1ccccc1Cl 9192299 FCCVNBRFUIEOIN-JAIQZWGSSA-N 421.792 5.084 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 13408691 KOBCGCROWPFVMN-IWMXCVPLSA-N 402.575 5.260 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 20633212 YUADVZLFBZBFHX-LJQANCHMSA-N 414.292 5.361 30 40 HKEB COc1ccccc1COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182471 CKRWUOXVSISVIZ-MXAYSNPKSA-N 411.457 5.382 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)c1 33027144 HOJUHOIIRHKXCE-IRXDYDNUSA-N 405.498 5.484 30 40 HKEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1Cl 35302161 GGCBMLNDDRSMJS-IMRQLAEWSA-N 401.941 5.452 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(I)o1 59104123 ALJIGZPAFGOQHG-OMCISZLKSA-N 424.463 5.359 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59247930 KLGMSWIDQTYXML-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2c3ccc4c(c3CC[C@@]21C)CCC(=O)/C4=C/O 105004733 WSXDVDYWXDOPKG-CLNZBEEFSA-N 408.626 7.255 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 408560577 LATYUSJDNKFOQW-UHFFFAOYSA-N 414.619 5.633 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)SC1=S 408809644 IKCIFPLABXFURL-ZDLGFXPLSA-N 418.971 5.143 30 40 HKEB COC(=O)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408910407 IEFYISWBRXYBOA-MYYYXRDXSA-N 418.518 5.416 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409102714 ZKMNPODDRRIDOO-RQZCQDPDSA-N 407.322 5.623 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 409200851 JQGPROOTLXLMEC-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB COc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C 409212143 PMXJQGPEYHUXKN-UFWORHAWSA-N 417.528 5.933 30 40 HKEB N#Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 3161988 QTDYGUHZZPDGNI-GKTLAHRSSA-N 410.480 6.598 30 40 HKEB Cc1ccccc1Sc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N 4060093 SHRNKOHMUJIIRN-UHFFFAOYSA-N 412.436 6.289 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc([C@@H](C)CC)cc2)CC1=O 4910290 FQOLFFWWMQNTQZ-FPOVZHCZSA-N 417.553 5.131 30 40 HKEB N#Cc1c(F)cccc1Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 5670435 PANHQBXHZOTQAB-UHFFFAOYSA-N 406.766 6.148 30 40 HKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1SCC 7684463 PYTKSMXHTACQGB-UHFFFAOYSA-N 413.930 5.330 30 40 HKEB Clc1ccccc1Cn1c(/N=C/c2ccc(Br)cc2)nc2ccccc21 8387237 GKFWEOXPALRODR-ZMOGYAJESA-N 424.729 6.251 30 40 HKEB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(N/N=C/c2ccccc2)n1 8934268 CDRPVVBWIOFGKZ-LSFURLLWSA-N 416.289 5.669 30 40 HKEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OCCCC)cc3)ccc21 8958721 QAJLBPFRVGOHSV-UHFFFAOYSA-N 422.525 5.055 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccccc2)cc1 13476382 ITBZEEFYNQMAMY-KGENOOAVSA-N 420.921 5.811 30 40 HKEB C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 15011407 IBYBVWVNEBGBEM-LDADJPATSA-N 401.940 5.306 30 40 HKEB CCCc1sc(N/N=C/c2cccnc2)nc1-c1ccc(Br)cc1 18173244 HNESALGPZMXRRR-CIAFOILYSA-N 401.333 5.366 30 40 HKEB CN(C)Cc1ccc(-c2ccccc2CNCc2ccc(N(C)CCC#N)cc2)cc1 30669454 UOJCIZDHAGDZKG-UHFFFAOYSA-N 412.581 5.055 30 40 HKEB CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN(C)C)n2)cc1 82087262 ATNQRHOZCXIVEL-UHFFFAOYSA-N 409.477 5.082 30 40 HKEB CCCCCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C 98043788 HOYNZWRMBYCLFF-JNEVVNAJSA-N 407.642 7.216 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409247317 MNZSQAXATGEGGI-ZMFRSBBQSA-N 406.844 5.931 30 40 HKEB COc1ccc2oc(=O)c(/C(C)=N/Nc3nc(-c4cc(C)ccc4C)cs3)cc2c1 5008132 BMMBDIRVQYTYKG-MFKUBSTISA-N 419.506 5.378 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(Cl)c1 5478487 CGRIDKQHRLPWCU-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 6050407 GPLLCBCZPUPRHZ-HXUWFJFHSA-N 410.832 5.250 30 40 HKEB CCCC(=O)Nc1ccc(-c2csc(N/N=C/c3ccc(SC)cc3)n2)cc1 6782921 UTARHKULMJULKV-LPYMAVHISA-N 410.568 5.717 30 40 HKEB Cc1cc(N2CCCCC2)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 6792858 LVROGHARPLWJLA-TURZUDJPSA-N 422.532 5.244 30 40 HKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1[C@@H]1COc2ccccc2O1 9154206 QRAIZOGKILVXHV-SFHVURJKSA-N 417.893 5.061 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 14132183 DRVBWMDXQJIIDB-PXLXIMEGSA-N 401.487 5.641 30 40 HKEB COc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1O 16269356 CHKLTQDQQRPIGC-UFWORHAWSA-N 413.109 5.293 30 40 HKEB COc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1OC 16719039 WZUYAQCVSNEKFJ-WMOWQXFYSA-N 416.502 5.512 30 40 HKEB O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccccc3)S/C2=N/c2ccccc2)cc1 30904694 YXQHLPWBCQECAW-KWZOLKRCSA-N 414.486 5.189 30 40 HKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3cccc(C)c3)c(Cl)c2s1 72229003 BKYZHDNSUCIACG-MYKKPKGFSA-N 421.353 6.362 30 40 HKEB N#C[C@@H](C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 84583255 RAQTZOIZUGXPPY-NSHDSACASA-N 419.815 5.940 30 40 HKEB CCCCCCCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 98005212 XAYMWAUPVBUNNN-UHFFFAOYSA-N 409.860 5.998 30 40 HKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N\Cc1ccccc1 100666128 QHMFHJZRVHGPOU-PKAZHMFMSA-N 405.457 5.265 30 40 HKEB Cc1ccc(/N=C\C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)cc1 104225208 QOOPOBPUSJSGBW-ASYBXRLASA-N 401.509 7.333 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408863506 SIJLLTBZTSLCJH-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 409083276 VAPYZNPNGMVGGV-AXNZHVIBSA-N 423.626 6.376 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)nc1 409103031 CRNUSSWWVRYFQB-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 409203299 WZQITYRBPCLKBN-VULFUBBASA-N 414.332 7.030 30 40 HKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C#N)cc1 409209880 HZAQDZJLKIOSDS-CNAFYAFZSA-N 406.555 5.055 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C 409211269 MSXBAUPGFVKBKN-JVWAILMASA-N 410.473 6.694 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 409216330 HGZWBSNEPOYDQW-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB COC(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 1857794278 SBAMYIZHWVYJAX-FQEVSTJZSA-N 404.853 5.034 30 40 HKEB Cc1cc(Oc2cc(-n3nc(C)c(C#N)c3N)nc(-c3ccccc3)n2)cc(C(C)C)c1 632497 HQBQYMLKBHISQD-UHFFFAOYSA-N 424.508 5.316 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)s1)Nc1ccccc1N2 720533 WLYQMEQPDCYZJN-NPMXOYFQSA-N 406.938 6.381 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O 2417802 VGJZOQDRWZXZAK-LMKPGGDOSA-N 418.876 6.100 30 40 HKEB C=CCNC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 3009847 GSOQDTLGRZSSPB-BWAHOGKJSA-N 406.485 5.066 30 40 HKEB Cc1ccc(C(=N/Cc2ccc([N+](=O)[O-])cc2)/N=c2/sc3ccccc3n2C)cc1 6390557 XXXLUXCFLWWMPX-XNMKTSCDSA-N 416.506 5.004 30 40 HKEB C(=N/c1ccccn1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 6996093 RUWHZELCLVYWEJ-BSKSBMDWSA-N 402.501 6.188 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 18166938 ABFQSPBPSJORQW-XMMPIXPASA-N 404.510 5.248 30 40 HKEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccc(F)cc3)s2)cs1 26231204 AQIMLYAEMNGJQC-CMDGGOBGSA-N 400.500 5.280 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc23)C1=O 51366855 GMUAHLKPDUUAGK-MNWLEOAJSA-N 417.534 5.093 30 40 HKEB C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OC)c1OCC(=O)O 59250142 WEQTVZWVKLBKLW-WGOQTCKBSA-N 407.510 5.685 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO 62240772 PKBSGDQYUYBUDY-UHFFFAOYSA-N 424.798 10.531 30 40 HKEB biogenic,in-vitro Cc1cc(C)c(/N=C2\S[C@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c(C)c1 68766812 CUUUQENUBOXXKP-ZLWNKQBNSA-N 423.582 5.325 30 40 HKEB O=C(/C=C\c1cccc2ccccc12)c1ccc2ccccc2c1OCc1ccccc1 95930964 KWFOKIFIVZJEBC-ZZEZOPTASA-N 414.504 7.468 30 40 HKEB c1ccc(/N=C2/Sc3nc4cccc5cccc(c54)n3/C2=N/c2ccccc2)cc1 103014473 DXLHLMAHDYNHRB-LSBUKLHESA-N 404.498 6.604 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@H](O)C[C@H]1O 226823280 GMRQFYUYWCNGIN-AFVMYUJMSA-N 416.646 5.705 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 409015530 NULPWPSSOMXJDZ-WSDLNYQXSA-N 401.940 6.398 30 40 HKEB CC[C@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 409171743 GKLOUBMEFIFTLM-BFTVFPACSA-N 415.518 5.720 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409385765 IRRJITAFYOFKOC-MXAYSNPKSA-N 412.848 5.256 30 40 HKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O 812873 OHQHSCVSHANTHS-HFJWLAOPSA-N 412.489 5.380 30 40 HKEB CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4048071 FHGYXJXNZVJCOO-PIKZIKFNSA-N 424.544 6.455 30 40 HKEB Cc1cc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 4270072 NEXPMMIIOJJRNR-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 4460371 AMLPMOKTYSXKFI-IYHPRSCZSA-N 408.561 5.924 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CC[C@@H](C)C2 4545647 DFPGWEAWYGYZKP-KSXCTLEASA-N 419.550 5.670 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 4690902 GPPVPKQYNGHUDT-CYBMUJFWSA-N 419.015 6.155 30 40 HKEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c(cc(CC)cc42)C(C)=CC3(C)C)cc1 4740223 UEGNPTLRKXDNNR-YYADALCUSA-N 402.494 5.089 30 40 HKEB COc1ccc(/C(=N\Nc2ccccc2)[C@H](C)C(O)(C(F)(F)F)C(F)(F)F)cc1 5065299 KNOFAXSPFPCKBS-FLXRKUMRSA-N 420.353 5.003 30 40 HKEB Cc1c(Cc2ccccc2Cl)c(N2CCCCC2)n2c(nc3ccccc32)c1C#N 5453596 PSYZPFCKLOJUIQ-UHFFFAOYSA-N 414.940 5.902 30 40 HKEB CCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 6732515 JOLLHIRKGDNMJQ-OAQYLSRUSA-N 420.900 5.019 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 7496071 UVYOTSOGBBXOMJ-RXFWQSSRSA-N 405.501 5.760 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(Cl)c1O 8362959 LXXCXFMDABEBHT-HPJGCCTDSA-N 416.930 5.377 30 40 HKEB CCCCCCCCCCCCN1C(=O)/C(=C\Nc2ccccc2)SC1=S 97961958 VCBGYOWYNLUMEW-CZIZESTLSA-N 404.645 6.721 30 40 HKEB COc1ccc(C(=O)/C(=C/Nc2ccccc2C(F)(F)F)C(=O)C(F)(F)F)cc1 100862312 ROCMXXAVZHFAOX-RAXLEYEMSA-N 417.305 5.024 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 408673958 WLMIBCPQUGSEFP-UHFFFAOYSA-N 400.607 6.418 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408692252 INZBFQGBRGPNSW-ISLYRVAYSA-N 401.509 7.047 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3cccc(F)c3)S2)cc(C)c1Br 408762818 GJEGZLOBMRSERT-DHDCSXOGSA-N 405.292 5.097 30 40 HKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408937648 HCMLRUFAJFXUNM-YSURURNPSA-N 405.256 5.989 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1cccc(Cl)c1 409117507 OZFYKACZEWRYEA-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 409215625 CMJIRMWVTHLGSD-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COc1ccc(-c2oc(/N=C/c3cccs3)c(C#N)c2-c2ccc(OC)cc2)cc1 1101531 SZLQPPSJXOJZGS-CVKSISIWSA-N 414.486 6.315 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCc1ccccn1 2346499 PPGFALUJHUHBBE-UHFFFAOYSA-N 403.507 6.175 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3O)oc2cc1C 4614994 MGKUBZWBSPLYHC-FOKLQQMPSA-N 403.394 5.182 30 40 HKEB CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@@H](C[C@@H](C)SCC)C1 5026710 BQKRKHUYPYBPNE-ARCCKXGSSA-N 410.668 6.114 30 40 HKEB CCCc1cc(SCC(=O)Nc2ccccc2)n2c(nc3ccccc32)c1C#N 5454938 ZBPYAJWISGMLOG-UHFFFAOYSA-N 400.507 5.042 30 40 HKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc([N+](=O)[O-])c2)=C(O)C1 5464730 VEVBBTPUASDSMY-UHFFFAOYSA-N 413.470 5.081 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 8385943 LNRCGHMSUKJHHS-CPJSRVTESA-N 406.570 6.267 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 16751448 DCJFETLNBXMDEG-ZVHZXABRSA-N 422.554 6.256 30 40 HKEB CCCC/N=C(C(=N/CCCC)\N(CCCC)CCCC)/N(CCCC)CCCC 18251764 JNLYNDPJNVTJSG-NBHCHVEOSA-N 422.746 7.188 30 40 HKEB Cc1c(F)c(F)c(CC(=O)O[C@H]2[C@H](/C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F 21999909 SCUIQJITEJYXNE-KQKCUDHCSA-N 418.736 5.347 30 40 HKEB Cc1ccc2nc(-c3ccccc3)c(NC(=O)CSCc3ccc(C#N)cc3)n2c1 40130988 HHAVURGRTULTNF-UHFFFAOYSA-N 412.518 5.053 30 40 HKEB CCCCCCCCC(=O)OCCNC(=O)[C@H](C)OC(=O)CCCCCCCC 100297814 GIBWHSWUGMFLGQ-FQEVSTJZSA-N 413.599 5.079 30 40 HKEB CCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCC 101005471 LICACDNCTRZVDX-UHFFFAOYSA-N 412.655 7.525 30 40 HKEB CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 102241482 ZCCFAKDSHUTFAH-UHFFFAOYSA-N 421.589 6.065 30 40 HKEB CCCCCCCOc1ccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1 102755264 QUNLWPZFVAWEDT-DEOSSOPVSA-N 407.554 6.577 30 40 HKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 113855788 JJQPNSZJBDDGID-QRVIBDJDSA-N 411.845 5.282 30 40 HKEB Clc1ccc(/C=N\Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(Cl)c1 408975814 NVWXADZMQLPKMJ-FBHDLOMBSA-N 404.278 6.416 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)c2ccccc21 409114547 IEQHAJZYRNKEDJ-BKUYFWCQSA-N 414.892 5.698 30 40 HKEB CN1c2ccccc2Sc2cc(/C=N/c3sc4c(c3C#N)CCCC4)ccc21 409141563 AIAYLSFHODSOJA-AFUMVMLFSA-N 401.560 6.482 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C#N)C1 688770 JQWPQTDNVBMVLT-BOSPYUDASA-N 408.523 5.151 30 40 HKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 4367213 ZEPZCROSHUGCJQ-XTEPFMGCSA-N 424.544 6.617 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C#N)C1 5901748 PTGZQQONFAIFIZ-LLVKDONJSA-N 407.366 6.330 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 6160051 OLIOKHSYEAVOGI-XMMPIXPASA-N 419.565 6.277 30 40 HKEB Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 10118988 WZWMDPJJTNHNMM-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1 11869285 LOOKSXPNYZSWCT-YVNNLAQVSA-N 410.828 5.683 30 40 HKEB C[N+](C)(C/C=C/CN(Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccccc1 57563600 IEDDOCHEAJQBNX-OUKQBFOZSA-N 413.585 5.204 30 40 HKEB CCOc1cccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)c1 72228693 OBJRGHRKNJFLKY-QFEZKATASA-N 410.543 5.762 30 40 HKEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102538477 WEPFVKBHBHWXPV-MRJHHRETSA-N 421.855 5.414 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(Br)cc1 102626379 ZUDMKMPOYPTDLW-DYTRJAOYSA-N 405.748 6.051 30 40 HKEB C=CCOc1ccc(Br)cc1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 408806820 BLDCLPNIPHBPKS-UHFFFAOYSA-N 420.310 5.505 30 40 HKEB COc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408954744 UXZOXJOPXTZIIX-VUTHCHCSSA-N 410.561 6.704 30 40 HKEB C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Br 409115893 IEQHVZXQYDEJBF-UHFFFAOYSA-N 410.311 6.418 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 409118247 PIOUKXZJUDJINC-KOEQRZSOSA-N 408.954 6.078 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 409122464 ZFHJSXNVBAIXMG-UHFFFAOYSA-N 410.882 5.369 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn23)ccc1Br 712027 GLYNDSBNFOZDLQ-RGVLZGJSSA-N 411.215 5.016 30 40 HKEB CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 1096177 YKTJJIGCPRPCKT-DHRITJCHSA-N 405.523 5.075 30 40 HKEB CN(Cc1ccccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 3413484 QTEMLVCFXFWHIS-UHFFFAOYSA-N 410.949 5.027 30 40 HKEB Brc1ccc(-c2nc3sccn3c2/C=N/OCc2ccccc2)cc1 4023513 OQLHEHAUISMQAE-CIAFOILYSA-N 412.312 5.376 30 40 HKEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 4836784 ZYYZCERPMVJWKX-HXUWFJFHSA-N 423.605 5.340 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1O 9034199 KTAJQARPQXIBNN-UVHMKAGCSA-N 423.303 6.145 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 14017481 HKIJCEWOLKSIMO-JOCHJYFZSA-N 401.485 5.520 30 40 HKEB COc1cccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c1OCc1ccccc1 15227600 AFLSSYYEGKACEI-YPXUMCKCSA-N 422.353 5.416 30 40 HKEB CCOc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 32984290 FTCCMALFHRVJOO-UHFFFAOYSA-N 419.502 5.043 30 40 HKEB FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681835 SEEJHICDPXGSRQ-UHFFFAOYSA-N 400.056 5.082 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1O 102148900 KTPGMIOTMYQQHI-QHQVFXOCSA-N 411.552 5.085 30 40 HKEB CCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530678 GBZPBWURIOHFMD-ZHACJKMWSA-N 422.322 7.787 30 40 HKEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(SC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925889 AJPSTLTYGUDWEO-HWRINXOPSA-N 418.599 5.448 30 40 HKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752707 SGJVBJDLYDEMRK-UHFFFAOYSA-N 417.336 6.103 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226327200 BLKGRZVNJDXYIP-UHFFFAOYSA-N 401.673 5.577 30 40 HKEB C(#C[B-](C#Cc1ccccc1)(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1 226935712 LKDCJYXHKDRPJK-UHFFFAOYSA-N 415.324 5.799 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408590803 HZXXCQSPNXJOKZ-LGJNPRDNSA-N 411.288 5.995 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccccc2OCCC)S/C1=N\c1ccc(C)cc1 408915741 QVBZQYXFPAVBSR-AIQBXGKYSA-N 408.567 6.188 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 408916721 YVAUOBVMAZITMM-KDNQEJAHSA-N 408.567 6.186 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408941726 PMUVESOKESNSIM-RGXUTEJNSA-N 404.513 6.276 30 40 HKEB CCOc1cc(-c2c(-c3ccc(C)cc3)cnc(N)c2C#N)ccc1OCC(C)C 408985579 NCLGQZWNVRZLEC-UHFFFAOYSA-N 401.510 5.611 30 40 HKEB COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409087062 AGQMVMQSBILZST-DBSKITMISA-N 420.921 6.157 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 409187857 VDUZTLLHIMNOSA-NLRVBDNBSA-N 403.526 5.080 30 40 HKEB O=C(O)COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 409210196 FLPKMDROFSZZKF-WYMPLXKRSA-N 416.260 6.000 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)c(Br)c1 409244173 YWPKXEFSZXNSDR-WGOQTCKBSA-N 416.318 7.435 30 40 HKEB CCCCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409387131 ZTUNDBBYQVATPQ-MFKUBSTISA-N 407.466 5.659 30 40 HKEB COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 812871 OHQHSCVSHANTHS-WXTAPIANSA-N 412.489 5.380 30 40 HKEB O=C1/C(=C/c2ccc(O)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 978882 OXVYFQRFUFHQQR-YWROOUKNSA-N 400.503 5.065 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3cc(Cl)cc(Cl)c3)N=C2O)cc1 1901722 DZRKYLDVYIQOKP-IUXPMGMMSA-N 405.306 6.290 30 40 HKEB N#Cc1cc(C(=O)c2ccc(Cl)cc2)cn1-c1ncc(C(F)(F)F)cc1Cl 3133281 TWJZSBUZNQJUCA-UHFFFAOYSA-N 410.182 5.301 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1 3203672 XQKDWEMIRBRVKN-LPYMAVHISA-N 414.255 5.411 30 40 HKEB N#Cc1ccsc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287892 RAFGCYHUFQCREW-UHFFFAOYSA-N 408.533 5.022 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@]12C 5497710 MKHNPPYVMVKVJL-MVZGYIFQSA-N 422.682 7.814 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2cccs2)[C@H]3c2ccccc2)cc1 8733571 YXCOMKFCEGHIGD-PBMMVTTKSA-N 424.521 6.961 30 40 HKEB C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2ccccc2)cc1 9332110 DFXNFEVVHGCMEE-QQXSKIMKSA-N 403.938 6.967 30 40 HKEB Cc1noc(C)c1CSc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N 16699445 YEVDUBNKHHQZPI-UHFFFAOYSA-N 419.535 5.223 30 40 HKEB CCOc1cc(/C=C/C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC 32800874 MRTDMRBGWSSYOA-YHVDPYDOSA-N 412.917 5.242 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccc(Cl)cc3)c(C#N)cc2c1 35312810 RRIHKSLZOUZPJI-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB CCCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 36619597 JCOSBAWMYWWBFV-WQJCZGEMSA-N 404.554 5.420 30 40 HKEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(Cl)c1 59484613 MNYVJOUXQAMENV-UHFFFAOYSA-N 403.894 5.203 30 40 HKEB CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)cc1 72228701 VTCVZZKSVUFWPL-UHFFFAOYSA-N 424.570 6.152 30 40 HKEB CCC/C(=N\OCC)C1/C(=N/OCC)CC(C[C@H](C)SCC)C/C1=N\OCC 101209268 KYGAIMIQMXQORH-IKVYOGKHSA-N 413.628 5.522 30 40 HKEB Cc1ccc(N[P@](=O)(Nc2ccccc2)C(F)(F)C(F)(F)C(F)(F)F)cc1 103447105 NILQHQACEVAQHN-HHHXNRCGSA-N 414.261 6.503 30 40 HKEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc2ccccc2c1 225063094 XPSCBBIBBSYWNO-UHFFFAOYSA-N 420.303 5.123 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 408528635 DWVMKRWXKOWHHA-STZFKDTASA-N 420.921 5.811 30 40 HKEB C=CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408531062 NUZOMXPMRPVCDA-BOPFTXTBSA-N 405.306 5.450 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 408560235 GHDBXGWRSLJSQW-UHFFFAOYSA-N 415.390 5.366 30 40 HKEB CCCCCCCCNC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 408722659 VPOKNHKBQOFYGH-NLFFAJNJSA-N 412.574 5.093 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 408762446 KSUALCQDNFWLJL-YBEGLDIGSA-N 407.322 5.456 30 40 HKEB COC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 409111171 APTIKPKGQTZQBF-UCQKPKSFSA-N 406.463 5.592 30 40 HKEB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1 3328801 GWLMWVMFVFWPBH-YZSQISJMSA-N 416.594 5.650 30 40 HKEB CCOc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O 4150562 NDTXFXAPAUTTEF-DHRITJCHSA-N 402.450 5.672 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/C=C\c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 5005911 RQMQLZTWYYQCKQ-CLFCUDMKSA-N 413.433 6.141 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(C)cc1 5478462 BKHISRXNERYVJZ-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 6440194 JQUGNTKIHOIALF-NXYZXBHKSA-N 404.897 7.118 30 40 HKEB Fc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 8432360 NFCPPWSRHZPSNU-ZMOGYAJESA-N 421.273 5.644 30 40 HKEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Cl)cc1Cl 8821144 MQHNBAOQONKZNR-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)nc2c(c1C(F)(F)F)CCCC2 9422657 SKHHLFDVKGRHDE-UHFFFAOYSA-N 417.283 6.450 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O 29226150 OFHCOWSQAMBJIW-HUEPGBSESA-N 400.647 6.590 30 40 HKEB N#Cc1c(/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)sc2c1CCCC2 408600504 BYEZJGYDFFIFQI-UVHMKAGCSA-N 424.928 6.621 30 40 HKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 408758268 HXQHLEHVOMKJPV-CUYJMHBOSA-N 423.472 5.872 30 40 HKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1 408807716 OLYWHXFYOMTHPP-WGARJPEWSA-N 404.432 5.284 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C2CCCCC2)C1=O 408911241 JOBJGYJQXKWTPB-FTJNEJEMSA-N 406.551 5.940 30 40 HKEB CCCCc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409186782 HURYRLPLHGKGCJ-WPWMEQJKSA-N 417.505 6.066 30 40 HKEB Brc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409202257 QVSBLXSPFIOJEZ-WGOQTCKBSA-N 416.318 6.932 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409213883 VBASEOKDXYUUJL-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB CCOc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409288206 DTEYLXQOORJRBR-UHFFFAOYSA-N 409.445 5.091 30 40 HKEB O=C1/C(=C\c2ccc(-c3ccccc3)cc2)CC/C1=C\c1ccc(-c2ccccc2)cc1 3177762 VXRMTCWRMRVEPQ-DWVPNOFWSA-N 412.532 7.851 30 40 HKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc2c(ccc3ccccc32)c1 4280532 KXHULQVMFUEBRF-ISLYRVAYSA-N 408.500 8.196 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4899366 CBXLGGVASYWVNZ-NNLCKWJRSA-N 411.546 5.467 30 40 HKEB CC[C@@H](C)c1ccc(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)cc1 5092733 QGROXQTVNRVRMD-UPMNJHNBSA-N 418.566 6.136 30 40 HKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 6381894 NUWIXFPMKNAZJR-QLKAYGNNSA-N 405.406 5.300 30 40 HKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OC/C=C/c3ccccc3)ccc21 9575648 HDRQTSVOZUTCBW-BUQBTZPGSA-N 423.295 6.702 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1O 12467846 MLPOEUHNBFYCTM-PSYZWBJOSA-N 416.502 5.205 30 40 HKEB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1 12547595 ADTNFGCRPDBQAH-QHCPKHFHSA-N 408.505 5.227 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)OCO3)cs1)c1c(C)cccc1C 14186111 WGNMAMXSEHIHJF-CMDGGOBGSA-N 420.490 5.069 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c1 14921573 RGKMPIGLASVZHY-PCLIKHOPSA-N 417.852 6.680 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 19867273 NLBZOSFMXFRCDD-SBUREZEXSA-N 421.924 5.265 30 40 HKEB CCCCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1Br 20470134 JITKZVFNTBGDJP-UHFFFAOYSA-N 404.377 5.638 30 40 HKEB CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 34888899 GRONKESKVLEQQO-FDFHNCONSA-N 415.924 5.482 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=S)Nc3cccc(C)c3C)c(C#N)cc2c1 35312844 VFNUNINYRRPANH-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)cc2)cc1 59608248 JLYWHCZNZZHMSZ-UHFFFAOYSA-N 410.642 8.832 30 40 HKEB CCCCCCCCCCCCOC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 100037643 KVBTUIKKMVJZEF-KRWDZBQOSA-N 411.970 5.932 30 40 HKEB CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 101509225 JSEVVWGKESAWHK-UHFFFAOYSA-N 420.549 6.540 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 101948890 DPNXZWNATNDIKH-NXQACGOGSA-N 423.541 6.533 30 40 HKEB CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 102065712 UHLBHGJTTSODFB-QGZVFWFLSA-N 407.620 6.519 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O 102417497 QXKIZSZXFKKBQL-FSJBWODESA-N 403.394 5.176 30 40 HKEB CCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 102568143 FMHSPGCHZGJQSP-UHFFFAOYSA-N 414.804 7.286 30 40 HKEB CCCCCCCCC(CCCCCCCC)[C@@H]1C[C@@H]2CCC[C@@H]2[C@H]2CCC[C@H]12 104145450 JSKCOAYGYKRYTA-YTRKHUOHSA-N 402.751 9.956 30 40 HKEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 245236188 QQLGOIZFZABLDX-MMJPHYGASA-N 422.674 5.298 30 40 HKEB biogenic Cc1cccc(COc2c(Cl)cc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c1 408915841 ZXWXBLBRAIUCGL-UHFFFAOYSA-N 423.295 6.343 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2ccccc2c1 408932561 XKMLZOFPOBDQFB-TURZUDJPSA-N 409.533 5.835 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc2ccccc12 409104236 GSTGZSHYMKUEPP-XODNFHPESA-N 408.427 6.107 30 40 HKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=C/C=C/c1ccco1 409300005 TVYSQGRDOWIOCG-MQUYEOGESA-N 409.367 5.223 30 40 HKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1c(O)ccc2ccccc12 868975 BFBHBBWVGKSDFR-JFLMPSFJSA-N 408.457 6.421 30 40 HKEB biogenic Cc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 3026844 DPJXPYRLXGWTRM-RDRPBHBLSA-N 418.496 7.133 30 40 HKEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)c1 4074994 KTCOPMVUICJOJS-XMMPIXPASA-N 414.505 5.453 30 40 HKEB CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 4746788 XOQAMAYJTPUZPJ-DHZHZOJOSA-N 401.289 6.937 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 4956228 LKQYULGPIDNFCE-SNPIYUIBSA-N 401.535 5.392 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 6087429 JXBLTLMICVMOGM-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 8371958 QTKFSGZYBDLHRX-DHRITJCHSA-N 400.356 6.465 30 40 HKEB Cc1ccc(/C=C/C(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 8888458 QXERRMNTVLLOTM-IZZDOVSWSA-N 417.814 6.751 30 40 HKEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 20083122 HFUOOQMYYVNYNB-ONUIUJJFSA-N 412.364 5.688 30 40 HKEB Cc1ccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1C 35291976 HQGVLGNRBSJUMT-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB COc1cc(/C=N/c2cccc3ccccc23)ccc1OCc1cccc(C(=O)O)c1 59248624 PRILRIKFPPLWQO-JVWAILMASA-N 411.457 5.876 30 40 HKEB CCCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CC(C)(C)CC1=O 100140294 HADHWTWNTUMWPK-UHFFFAOYSA-N 415.574 5.019 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Br)cc1 408595303 MESNCQRABITIHO-AFUMVMLFSA-N 421.294 5.450 30 40 HKEB Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc(F)cc1 408780772 KAGBLFBGMWGBSD-UUYOSTAYSA-N 418.253 5.588 30 40 HKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl 408944984 VQSHSSNFAJLHFF-BGXAXVOZSA-N 400.909 6.623 30 40 HKEB Cc1oc(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C 408952055 JSUVNGZBGCINIE-LUOAPIJWSA-N 422.315 6.829 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 409230761 GFGBBVRCXVUMGK-ZXVVBBHZSA-N 400.522 6.537 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCCCC2)o1 409277410 AUSKBEWBXAVRNW-UHFFFAOYSA-N 418.541 5.300 30 40 HKEB Cc1ccc(-c2nc(SCc3ccccc3)nc(N3CCCCC3)c2C#N)cc1 1383230 CLUJZJUNSYHCMB-UHFFFAOYSA-N 400.551 5.606 30 40 HKEB N#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)Cc1ccccc1Cl 1870217 CEOAIJKCGOLKLQ-UHFFFAOYSA-N 414.763 7.185 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1Cl 2175049 OZROZBHDTSYFCZ-XMFNYGHISA-N 414.914 5.147 30 40 HKEB Cc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C)s4)cc3)cc2)s1 2895030 SLYJYAXCJFVISL-CTVDDJEBSA-N 414.599 7.518 30 40 HKEB CC(C)(C)c1cc(C(=Nc2ccccc2)Nc2ccccc2)cc(C(C)(C)C)c1O 3145410 VESHMKXYWCCYNG-UHFFFAOYSA-N 400.566 7.178 30 40 HKEB biogenic O/C(=N\c1nc(-c2ccc(F)c(F)c2)cs1)C(F)(F)C(F)(F)C(F)(F)F 3169262 NMSMFTYYEWHMJX-UHFFFAOYSA-N 408.245 5.509 30 40 HKEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1CCCC 4577268 RCHHJONTUZZRMS-ZABCRHKISA-N 403.592 5.039 30 40 HKEB C/N=C1/S/C(=C\c2c(OCc3ccc(C)cc3)ccc3ccccc23)C(=O)N1C 4690150 PJEZHUQDSJPTLA-FRODBLILSA-N 402.519 5.259 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O 4910583 FLWULCZTFHTHKK-NRFANRHFSA-N 417.553 5.014 30 40 HKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(F)c1 6345459 CRNSPIIUEMYXBI-UHFFFAOYSA-N 407.404 5.911 30 40 HKEB N#Cc1c(/C=C/c2ccc(Cl)cc2)cc(-c2ccccc2)n2c1nc1ccccc12 6402950 OJAIDZYVROFIPL-JLHYYAGUSA-N 405.888 6.850 30 40 HKEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cc3ccccc3)ccc2O)c(Cl)c1 6864284 RIFCACDHIOALNS-BUVRLJJBSA-N 409.873 5.076 30 40 HKEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 8722243 YBMFNDXZLSXMPT-VCHYOVAHSA-N 418.301 5.242 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1C#N 8811909 ZPEJQKDJKZSRAA-JFLMPSFJSA-N 419.912 5.313 30 40 HKEB COc1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 9423296 LVCXSIXFUHNNCV-DHRITJCHSA-N 411.457 5.382 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cccc(Oc2ccccc2)c1 12347623 FDROMAPYQDLZEF-LJQANCHMSA-N 401.466 5.108 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 17093419 LSTPQTIKLXFMCJ-AWEZNQCLSA-N 422.981 6.830 30 40 HKEB CC(C)c1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c2c1CCCC2 95117595 DWSIOHRTHHQVHR-UHFFFAOYSA-N 418.518 5.037 30 40 HKEB Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2/C=N/c2ccc(Cl)cc2)cc1 100143803 MKTAEBJPTZVHNP-MFKUBSTISA-N 403.938 6.940 30 40 HKEB Cc1nc(CSc2nsc(/C=C/Nc3ccc(Cl)cc3)c2C#N)cs1 100147158 KBCCTDLDMAICNB-VOTSOKGWSA-N 404.973 5.808 30 40 HKEB C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)SC1=S 113838001 DLPJUMFRFIBUAT-FYJGNVAPSA-N 404.560 5.385 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](C#N)CC[C@]5(C)[C@H]3CC[C@@]21C 123218671 DCHRLKUKWOETLV-VXKXQDQMSA-N 411.674 7.379 30 40 HKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC(C)C 408931388 LACJZWSMAUPZGQ-BUVRLJJBSA-N 402.922 5.113 30 40 HKEB C=CCn1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409375204 HCBRFYRQFQWUGJ-JFLMPSFJSA-N 407.429 6.563 30 40 HKEB CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)CO 1857780933 WOINIHBUMSBPQL-UHFFFAOYSA-N 411.715 7.649 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 878287 TZDPBRQPCOWHGN-QHCPKHFHSA-N 418.512 5.377 30 40 HKEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1 2067049 UWLASOSIFLFLDH-YYPWLFCJSA-N 414.745 6.304 30 40 HKEB Cc1ccc(C(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)c2ccc(C)o2)o1 4280960 KXEHCCMKCPMMOC-MFKUBSTISA-N 400.434 6.328 30 40 HKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 5252661 IRKWKGIZXMXGDM-DNTJNYDQSA-N 401.087 5.531 30 40 HKEB Clc1ccc(-c2csc(N/N=C\c3cc(Cl)ccc3Cl)n2)c(Cl)c1 6149921 TVOOJTSDAPXGGQ-YXSASFKJSA-N 417.148 6.870 30 40 HKEB Clc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1Cl 9195504 KLOMYLRJIWNWMG-NUGSKGIGSA-N 414.119 6.684 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 12494006 YIKKMWSQVKJCOP-YXRAZXNKSA-N 400.647 6.568 30 40 HKEB endogenous,in-man N#CCCCCOC(=O)c1ccc(Oc2ccc(C(=O)OCCCCC#N)cc2)cc1 24757738 HUHKRNBAAQKBCU-UHFFFAOYSA-N 420.465 5.180 30 40 HKEB CC(C)N(CC#C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 61991224 LTKDFKKKYXDIAU-MAARLIENSA-N 417.593 5.998 30 40 HKEB biogenic O=C1/C(=C/c2ccc(/C=C3\CC/C(=C\c4ccco4)C3=O)cc2)CC/C1=C\c1ccco1 97945975 CXGAAZIOOQRPJU-WAAZFXEXSA-N 422.480 6.532 30 40 HKEB CCCCCCCC[N+](C)([O-])CCCCCC[N+](C)([O-])CCCCCCCC 104199032 WGGSUTVVRHSEGD-UHFFFAOYSA-N 400.692 7.157 30 40 HKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)s1 252491647 LPHAGDNDPFACHW-GZIVZEMBSA-N 400.788 5.462 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 254331502 ZUBNTFPDHJZUIE-UHFFFAOYSA-N 404.461 5.806 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 408908429 DXCJFJMPZXVFTM-BYVPPNDWSA-N 410.539 5.415 30 40 HKEB COc1cc(C)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C(C)C 409087593 CEGXWPWHARUFNA-BLNASNEQSA-N 408.611 6.962 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187504 RHXIEKGJCWFOBU-AXNZHVIBSA-N 417.505 6.237 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C 409201669 NKUNPXUWLHLHFH-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 409211633 NIYBGUUBUMIRDP-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2C)cc1 409223471 FXTPBENSLGTMMD-NLRVBDNBSA-N 402.494 5.383 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C(=O)O)cc3C)c2)cc1C 409377221 FUYLYWVBAGJPSZ-VULFUBBASA-N 416.477 5.078 30 40 HKEB FC(F)(F)c1ccccc1/N=C/c1cccc(/C=N/c2ccccc2C(F)(F)F)c1 2182782 HHKLRANLRWGSNY-HZUVFDMRSA-N 420.356 7.225 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 2321891 PJBLWWOSBWUEIB-DHPWMCHXSA-N 415.562 5.864 30 40 HKEB Cc1ccc(-c2nc3c(C)cccc3o2)cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3044381 XHBRVJCHEHJLPD-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1cccc(Br)c1 3120673 GJTYSKVCCJCRQA-VOTSOKGWSA-N 410.745 6.201 30 40 HKEB C/C(=N/Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1ccccc1 4737638 XUULIAUASHLAIN-PKAZHMFMSA-N 412.518 5.899 30 40 HKEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3C)c12 5182777 GIKICPVTSHQTFU-UHFFFAOYSA-N 424.928 5.835 30 40 HKEB Cc1cc(/N=C/c2cc(Cc3ccccc3)ccc2O)ccc1NC(=O)c1ccccc1 5540847 FFZPTWBXFDCMJY-VUTHCHCSSA-N 420.512 6.294 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@H]2C[C@H]2c2ccc(C)cc2)cc1 5617809 XJMKIAPMRVSEDQ-RFHOTIDYSA-N 403.453 5.508 30 40 HKEB CCOc1nc(-c2ccc(Br)cc2)cc(-c2ccc(Cl)cc2)c1C#N 5657119 OEJYLHWPQNNUQY-UHFFFAOYSA-N 413.702 6.102 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 6149638 VHPJJTRGPHPXDW-NRFANRHFSA-N 411.929 5.807 30 40 HKEB CC[C@@H]1CS/C(=N\c2ccccc2C)N1C(=O)[C@H](C)Oc1ccc(Cl)cc1 6584968 KRIMDSIDXSWQRU-XQXNOKCCSA-N 402.947 5.457 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 7939538 OOSFNJTXUMAKKZ-YIXHJXPBSA-N 413.300 6.477 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916133 MNCABEXSEDNYIM-CHJHTMHVSA-N 421.625 5.719 30 40 HKEB CCN1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223527196 RKPYQYSFEJCKFZ-KOUDTOEKSA-N 411.462 5.061 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(F)c1 408590750 HTFDJJJSDYUENI-JFLMPSFJSA-N 404.441 5.226 30 40 HKEB COc1ccc(OC)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c1 408987279 VTWWAZPOPSJWAA-QRVIBDJDSA-N 404.487 5.612 30 40 HKEB CCCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(CC)C1=O 409057696 LUYSOYLMEONBHK-MIIQOVFOSA-N 424.522 5.188 30 40 HKEB CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br 409203326 VOKLCSVASOXITI-KEBDBYFISA-N 411.137 5.978 30 40 HKEB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(F)cc1 409235980 QYSJGPAQDFQVRF-FYCBZXFJSA-N 407.514 5.985 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3cccc(Br)c3)o2)c(Br)c1 409237540 VDXQYJISTOYMEQ-SRZZPIQSSA-N 419.116 6.531 30 40 HKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCCc1cccc2ccccc12 526052232 HANVMARJYFMNFK-UHFFFAOYSA-N 403.485 6.098 30 40 HKEB O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1cccs1 2194876 RZAGGYXGZSKSJM-FOHRATBMSA-N 420.533 7.123 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2cccc(C(F)(F)F)c2)c(O)c1Br 4417396 KLVDPGLMCSTTKL-QPJQQBGISA-N 406.629 6.194 30 40 HKEB Cc1ccc([C@@]2(CC(=O)OCCC[C@H](C#N)c3ccccc3)CCOC(C)(C)C2)cc1 4814917 IBFLPBRJAUJAIW-YIXXDRMTSA-N 419.565 5.843 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4993291 SUGMSQBVEAAAQH-DEOSSOPVSA-N 414.549 5.546 30 40 HKEB C[C@@H]1CC2=C(C[C@H]1/C=N/n1cnc3c([nH]c4ccc(F)cc43)c1=O)C(C)(C)CCC2 5024993 PYRYQEDXBYQROD-VICMJSGUSA-N 406.505 5.404 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c1 12662740 VHJVOUGNZYFYSG-MXAYSNPKSA-N 416.473 5.516 30 40 HKEB biogenic C/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 13303334 DMVDDXFIFIBCFN-MUFRIFMGSA-N 416.887 6.439 30 40 HKEB Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1 14920625 LEIFXYSPVQJROE-OGLMXYFKSA-N 420.468 6.530 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)c2C)cc1 27527969 RLJDRODNRDFUTE-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cccc1OC 135986040 TXGOETGWCIYGKE-MIIQOVFOSA-N 410.539 5.280 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)cc2)cc1 198080666 RYEJPWWJMOXSKJ-LJVLJBDNSA-N 412.577 7.568 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 225931906 JALZBLFOWJGTRP-UHFFFAOYSA-N 419.524 6.080 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1 225934076 QQYWFVSPIGAJIK-UHFFFAOYSA-N 403.909 5.580 30 40 HKEB COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 254350404 LHLQETWCXXHETK-UHFFFAOYSA-N 416.506 5.077 30 40 HKEB COc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Cl 408777691 GCUIJGCYBJQQRZ-VIZOYTHASA-N 413.713 5.547 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1C 408964207 BYUIYNJRVLWZAY-JCMHNJIXSA-N 401.535 5.548 30 40 HKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl 409020338 ODGLWTJSLKILKD-OMSSWJLUSA-N 407.926 5.673 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409058146 RRRQMHKLTKCNTI-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Br)c2)ccc1Sc1ccccc1 409118760 QTPHWVBIPNGYPR-BKUYFWCQSA-N 413.296 6.259 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCC 409216241 GNBKGPSNINXVCP-SLHJDRLVSA-N 410.967 5.227 30 40 HKEB O=C(c1c2ccccc2cc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242785 MNUQGNVKSNOLCV-UHFFFAOYSA-N 424.262 6.644 30 40 HKEB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)(F)C(F)(F)C(F)(F)F 575358451 WOQRTWXGWUZZLA-UHFFFAOYSA-N 416.239 5.559 30 40 HKEB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(C#N)cc1 1355120 XVTKHZKXBWUXHO-UHFFFAOYSA-N 401.441 5.056 30 40 HKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 1434748 LTSKAIJWRUYIQE-MMTVBGGISA-N 424.544 6.373 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1 4906183 KTLHUVPWUXOMQP-UHFFFAOYSA-N 413.424 5.370 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)c1 4980103 QDBJBTJAPOUXAI-BUVRLJJBSA-N 417.559 6.416 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2C(F)(F)F)=NC1=O 6856134 PKTRNVSFKZPDBM-SFQUDFHCSA-N 404.413 5.353 30 40 HKEB Cc1cccc(C)c1N/C(S)=C(/C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1 7109696 WVSGPFOIROTHCZ-UHFFFAOYSA-O 417.598 5.939 30 40 HKEB Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl 12466695 VXPKWRXTBVZJAX-YUMHPJSZSA-N 422.359 5.715 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(NC(=O)c3ccccc3C)c2)c1 13940634 ZLVVJDIQCPCNBB-ZMOGYAJESA-N 423.310 5.774 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(C(C)(C)C)cc3)o2)CC1 27562585 JDRBWQQVIVYOSJ-WPWMEQJKSA-N 406.574 6.754 30 40 HKEB CCc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 32984221 AJDXPFPDQMDQTG-UHFFFAOYSA-N 423.921 5.552 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc(OC)cc2)cc1 59464288 APUQTXWPFKIIBE-WGOQTCKBSA-N 414.530 6.553 30 40 HKEB CC(=O)N(c1nc(/C=C2/COc3ccccc3C2=O)cs1)c1c(C)cccc1C 96924516 HNIUGEMOCWSBCH-BOPFTXTBSA-N 404.491 5.103 30 40 HKEB COc1cccc(-c2onc3ccc(C(=O)/C=C/Nc4cc(F)ccc4C)cc23)c1 100368705 GWPBKCWCNQKDQD-ZHACJKMWSA-N 402.425 5.759 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914938 CKXFHIVEFDOLKD-DFTYQABXSA-N 416.605 6.549 30 40 HKEB N=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)[C@H]1c1nccs1 137486604 TWHRGUHWSPEATI-GQNWJCCQSA-N 415.543 5.564 30 40 HKEB CC[C@@H](C)Oc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC 408595728 MPZYVCWKJHWNNH-CHOFVFFHSA-N 417.303 5.057 30 40 HKEB CCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(OCC)c1 408737853 YOHGYLRCDHTGEJ-ZXVVBBHZSA-N 411.505 6.087 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)c1 408741686 ROGHXMUGZRNNHZ-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1c(C)cccc1C 408915357 ZVWCLBPKTDPVNJ-SQTQCTRYSA-N 405.317 5.283 30 40 HKEB CCCCCCCCNC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 408994187 HAIRXDCQPVSMRO-UHFFFAOYSA-N 406.555 6.480 30 40 HKEB Cc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1Br 409010016 JCFGVWHUEIXNRW-CIAFOILYSA-N 418.132 6.061 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1 409109597 HZVJJQVFAUHDEA-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2C)c1 409211203 NDJTXKWSQQBZSN-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB COc1ccc2ccccc2c1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409280166 JNNVKLBGRHGOMF-UHFFFAOYSA-N 411.505 5.488 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 2055379 NSDMOOBYHONPLO-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB C=C(C)Cn1c(SCCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2207994 GCMAKPMHQYZLCO-UHFFFAOYSA-N 422.638 6.527 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccccc1 4828735 NIGQVIGOLXJYKZ-MZJWZYIUSA-N 407.304 6.440 30 40 HKEB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N/c2ccccc2)N1c1ccccc1 4828909 OLYOYBAFECCGND-MPIQAULUSA-N 401.447 5.403 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(-c4ccc(C)cc4)c32)cc1 6733057 QSFVTIHJVNXZDR-OAQYLSRUSA-N 413.521 5.594 30 40 HKEB O=C(/C(=C\c1ccc(Br)cc1)c1nc2ccccc2o1)c1ccccc1 11614207 UYIQPTKVJOCHOT-NBVRZTHBSA-N 404.263 6.014 30 40 HKEB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1 15188112 IQYUIMUEFXUWLT-MDZDMXLPSA-N 400.862 5.516 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccc3ccccc3c12 16578027 UWOFKJCTRKFGPQ-XMMPIXPASA-N 421.462 7.168 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 18197229 ICUIYHDOMMNLJP-FQEVSTJZSA-N 414.299 5.031 30 40 HKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 20762490 GQJIZUMIBLEXPV-DHRITJCHSA-N 402.325 5.533 30 40 HKEB CCCCCCCCOC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc12 97998510 HFATVMJUBYQHGC-UHFFFAOYSA-N 424.589 6.264 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(F)cc1 104376630 VIENCXNPLORPQL-SZXQPVLSSA-N 421.670 7.105 30 40 HKEB CCCCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 212420502 IGRGFQSURTWTSB-XMMPIXPASA-N 423.553 6.119 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](OC=O)CC[C@@]43C)[C@H]1CC=C2C#Cc1ccccc1 245238730 AHMJMFJZNJAALU-BGDNTZADSA-N 402.578 6.159 30 40 HKEB O[C@@H](Cc1ccccc1)C(Cc1ccccc1)=NNc1ccc(Br)cc1 245240173 OQKJETUUXLFLIA-QFIPXVFZSA-N 409.327 5.063 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 408530350 KLWLMLDSDRFHBJ-GZTJUZNOSA-N 421.465 5.676 30 40 HKEB COc1cc(Cl)c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408867083 IQTCYDQAGMWTQI-IUXPMGMMSA-N 423.321 5.211 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(OC)c1O 408907899 QAYXPKLYARRIPJ-MDIFQPDJSA-N 422.550 5.370 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409049539 WFUHVAPIXNKESB-FSJBWODESA-N 401.249 6.231 30 40 HKEB COc1cccc(/C=N\c2ccc3ccccc3c2)c1OCc1ccc(C(=O)O)cc1 409188016 WJENZXYYTUFKTE-YUMHPJSZSA-N 411.457 5.876 30 40 HKEB CCOc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 409199054 BENZZJSYCRBRDL-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB CCOc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409207988 DPRIEAWXCYZJLY-HAHDFKILSA-N 415.898 5.257 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409210706 KBIWYIPOYDGTPP-LGJNPRDNSA-N 418.751 7.539 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1O 409214293 XFVRTNMDWKGEQJ-DJKKODMXSA-N 415.658 5.108 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccc(F)cc1 409224890 IYEKKBOSSZTCEB-ATAQLJSPSA-N 414.502 5.245 30 40 HKEB CC(C)Oc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409292525 UPAFOKURLPOYKK-UHFFFAOYSA-N 423.472 5.479 30 40 HKEB Cc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)cc1C 2218203 QFXGGIWLVCUSHO-FRHWEDRMSA-N 408.545 6.259 30 40 HKEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(Cl)cc2)S1 2362214 NSNHUPPGPYPGJK-YYPWLFCJSA-N 414.745 6.304 30 40 HKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 3102928 JQRFWCHFWXOMAD-VULFUBBASA-N 404.897 6.902 30 40 HKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(Cl)cc1 3640638 JLJRYNSYFJUDNP-XMHGGMMESA-N 404.893 6.140 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O 4675492 OFNWRNSCCNABJN-LPYMAVHISA-N 413.502 5.092 30 40 HKEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 4994062 XTKZJHFSALKYOC-HJOGWXRNSA-N 411.929 5.047 30 40 HKEB C(=N/c1ccccn1)\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 6996091 RUWHZELCLVYWEJ-SUSUTEKGSA-N 402.501 6.188 30 40 HKEB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@H]2c2cccs2)cc1 9245652 LLMUQFQNDADQHN-PXNSSMCTSA-N 421.547 5.113 30 40 HKEB C=C(C)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9311255 NBPMUPXJAIJIST-UHFFFAOYSA-N 423.563 6.019 30 40 HKEB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 12820278 JJLUHERNHRVBPN-CYBMUJFWSA-N 412.864 5.786 30 40 HKEB C/C(=N\CC/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 17120140 FKIWUOQSVDWWAC-JFMUQQRKSA-N 422.164 5.530 30 40 HKEB C=C1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 35459249 BJWJSOYJPSJWKC-JJOWVFGISA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 70665347 FJYQLFPQKOBYMM-HSZRJFAPSA-N 424.673 8.095 30 40 HKEB biogenic C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 73638349 WDNMSCJXEHVAEU-VMPITWQZSA-N 412.077 5.214 30 40 HKEB CCCCCCCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 100575226 GFFZKLYFMJMWFK-UHFFFAOYSA-N 418.368 6.082 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccc(Cl)c2)sc1C 102858135 FJIXAXPEIBWPBD-SELCWUDQSA-N 424.909 5.040 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@]12C)CCC(=O)/C4=C/O 105004729 WSXDVDYWXDOPKG-BXHITRTKSA-N 408.626 7.255 30 40 HKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 260840639 QCDMEYVYSGBGLN-FCVZXZOBSA-N 403.485 7.578 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1C 408764286 QYVXDRLUTFETEH-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408864659 YYXQJLFSJKWLCM-JJLKGMGFSA-N 406.551 5.878 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)c1 409102625 DRSIZBIKGLYMQU-NUGSKGIGSA-N 410.739 5.368 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Br)cc1 409216981 QHBFXWKWOUDMDN-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1 409322869 YJQCBRZLROVOJW-GFCCVEGCSA-N 418.722 5.208 30 40 HKEB Oc1cccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1 1083810944 ANUYAPMPADQCQP-UHFFFAOYSA-N 423.197 5.246 30 40 HKEB O=C(C(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc(C#Cc2ccccc2)cc1 1951020 IOTXVPQBEQEMNN-UHFFFAOYSA-N 410.472 5.552 30 40 HKEB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2091874 CWBUETUECNMKED-CYBMUJFWSA-N 402.947 5.504 30 40 HKEB N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1ccc(Cl)cc1 5902302 FEAOZQIHDHWPAQ-UHFFFAOYSA-N 406.876 6.280 30 40 HKEB COc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 9034241 FULKFPAIJYQVGH-DHRITJCHSA-N 423.303 6.058 30 40 HKEB C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl 9483235 XCOWJGPHCQKVJQ-OAHLLOKOSA-N 423.944 5.242 30 40 HKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(F)c1 12406300 RQJCEZHPERLMRQ-YLLWSWKHSA-N 400.881 5.631 30 40 HKEB COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 12406404 JPBJSCHBNFSPRF-DHIBRUPHSA-N 402.416 5.467 30 40 HKEB CCc1cc(SCc2cn3cc(Cl)ccc3n2)n2c(nc3ccccc32)c1C#N 13098417 QTRGYKMOQZNPLI-UHFFFAOYSA-N 417.925 5.515 30 40 HKEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(CC(C)C)CC(C)C)C2=O)c1 20650214 NXXYLGZIHDHMEJ-FMCGGJTJSA-N 409.526 5.131 30 40 HKEB CC(=C\c1ccccc1)/C=C1/S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 27229205 SCWDNDBWHVYYLD-GRALHKOYSA-N 422.859 6.197 30 40 HKEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106716341 OLYLDHAFXJKKEO-YVLHZVERSA-N 419.289 5.132 30 40 HKEB N#Cc1c(NS(=O)(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 170550214 IVRJLPTWAXEXFA-UHFFFAOYSA-N 400.459 5.286 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H]([C@@H]1CC=CCC1)Nc1ccc3ncccc3c12 217560535 PNMQXSJFYRIGPZ-HIRWGAFWSA-N 406.529 6.286 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408691602 HUQLSZOSSLPNKH-GHRIWEEISA-N 422.524 7.022 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(I)cc3)c2C)cc1 408739045 SAGLAMPZJAYDPP-LPYMAVHISA-N 414.290 5.758 30 40 HKEB C=CCc1cc(/C=N\c2ccc(I)c(C)c2)cc(OCC)c1O 408857593 OOULVQACFUGDBK-MTJSOVHGSA-N 421.278 5.183 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c4ccccc34)S2)cc1 408953080 OHLHQPFWDMUHRY-KGENOOAVSA-N 404.491 5.139 30 40 HKEB CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=Nc1ccccc1 409008922 AICAFBREHZCXKV-XOLKAKTPSA-N 421.953 6.063 30 40 HKEB Clc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409203283 WYJZTEHZCVMOQC-VEILYXNESA-N 413.904 7.462 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 1437513 ROIILOHVTVRSFY-KMRXNPHXSA-N 408.545 6.591 30 40 HKEB CCOC(=O)C1=C(/C=C/c2cccc(Cl)c2)O/C(=C/c2cccc(Cl)c2)C1=O 1582364 FZNYZWGMQWRQNO-OHNABYMDSA-N 415.272 5.464 30 40 HKEB O=C1/C(=C\c2ccc(O)c(CN3CCCCC3)c2)CCC/C1=C\c1ccc(Cl)cc1 1650740 VGGDXIXJVYYRAS-BQKNYZPGSA-N 421.968 6.252 30 40 HKEB Ic1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 1710181 WFXWJSNSLNMUGG-LPYMAVHISA-N 408.242 5.143 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(O)c([N+](=O)[O-])c1 3162673 UZNFXJCIVMGBPO-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C#N)C1 6824554 MHJFMPNMACMWPI-INIZCTEOSA-N 408.567 5.810 30 40 HKEB O=C1/C(=N\Nc2nc(-c3ccccc3)cs2)C(c2ccccc2)=NN1c1ccccc1 13574634 WQADAEJRFNYVKN-ROMGYVFFSA-N 423.501 5.029 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 18156394 BMIGTXYIXHJPND-WGARJPEWSA-N 418.518 5.036 30 40 HKEB COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 18200320 MKTIDHYOUZMIMQ-IBGZPJMESA-N 403.400 5.287 30 40 HKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2OC(=O)CCc1ccccc1 253618138 UBWXUGDQUBIEIZ-CINZANCNSA-N 406.566 5.673 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408526491 BPYJOWMXIFKMCN-LICLKQGHSA-N 422.358 5.964 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1cc(C)ccc1C 408906779 DPYHHIJENLQYKE-GOIJELEESA-N 405.317 5.283 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)N1CC 408930502 XVRZLXLHFUHSRW-XTJABLFPSA-N 417.962 5.068 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408967126 SJLTYKDHNPQARD-UDWIEESQSA-N 408.910 6.108 30 40 HKEB C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409052755 AFZAGRJDYZQJAO-OQLLNIDSSA-N 422.687 5.032 30 40 HKEB Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2Br)cc1 409199082 AZMQJCANMGZVFE-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409211219 NCMLOOQMHBWPJT-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409224717 NMEDIDBCNJXQBG-ZMOGYAJESA-N 423.856 5.325 30 40 HKEB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)CC1 409269552 COQADISNLMFZMJ-ZVHZXABRSA-N 408.527 5.394 30 40 HKEB N#Cc1c2c(c(Nc3ccc(Br)cc3)n3c1nc1ccccc13)CCCC2 941784 IKOYASCOUSVKDR-UHFFFAOYSA-N 417.310 5.744 30 40 HKEB CCCCOc1ccc(/C=C/C2=CC(=O)C[C@@H](c3ccc(OCCCC)cc3)C2)cc1 2105756 CBJVCGUDTVVKIW-NJFIGMEYSA-N 418.577 7.131 30 40 HKEB biogenic CCCCC(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 3029169 UWXVLWGWMJISCQ-UHFFFAOYSA-N 410.280 5.245 30 40 HKEB COc1ccc(Cl)cc1-n1c(SCCCC#N)nnc1-c1cccc(Cl)c1 3486939 UJJOWCCCPCJAFU-UHFFFAOYSA-N 419.337 5.646 30 40 HKEB Cn1nc(-c2ccccc2)c(/C=N/OCc2cccc(F)c2)c1Sc1ccccc1 4013245 VGEVUIKOYUPHKE-WGOQTCKBSA-N 417.509 5.928 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1c(C)nn2c3ccccc3n(C)c12 5031576 UBMHXDUKEKESTB-CMDGGOBGSA-N 414.292 5.346 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 8452234 GTJOFEOXIDDTAL-UHFFFAOYSA-N 409.577 5.023 30 40 HKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2c(Cl)cccc2Cl)C1=O 9553945 SULOTLHBTHAVHK-WJDWOHSUSA-N 420.317 5.537 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)cc1OC 15910914 SCNIQIFYGRPWLB-UHFFFAOYSA-N 405.457 5.710 30 40 HKEB Cc1ccc(C#N)c(SCc2cccc(CSc3nc(C)ccc3C#N)c2)n1 16291423 TXABQUKHNBTXHM-UHFFFAOYSA-N 402.548 5.421 30 40 HKEB COc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 32709498 HNJTYCFUJUTFNA-RGEXLXHISA-N 415.445 5.277 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2F)c1 59418032 ALYGJTRTRYASFT-KGENOOAVSA-N 404.466 5.296 30 40 HKEB C=CCOc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C)[nH]2)c1 95408502 DUCNIANLLMVVRU-OAQYLSRUSA-N 402.498 5.319 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCOCCCC 100923837 LYKKJDGNMXZXBZ-UHFFFAOYSA-N 414.739 7.377 30 40 HKEB C=CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408557906 PJAOQIDKYQXMCP-GOSISDBHSA-N 424.747 5.446 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)c1 408754987 LZRWOBRMIMUCAS-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408808724 NBOCFCZYCSTVRV-QFEZKATASA-N 408.885 5.425 30 40 HKEB O=C(O)c1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1Cl 408818797 QPWQBLOCMIYHLP-WGOQTCKBSA-N 416.864 6.470 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC 408913675 RDMYJFXTKCQTFM-MDIFQPDJSA-N 424.566 5.662 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 408917544 WTACZIYHYKREIV-KQWNVCNZSA-N 412.514 5.431 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2OCc2ccc3ccccc3c2)cc1 408941573 WEUKINBMUDOQOV-MWLSYYOVSA-N 420.434 6.884 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl 409017152 XDJHWZPJRGIBNN-VCRXTVNUSA-N 400.931 5.717 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl 409052367 CZDUHBUPMLXKAM-PDGQHHTCSA-N 401.871 5.154 30 40 HKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccc(Br)cc2)cs1 409052592 IQQUFZNVWNSBGF-IFYJTALQSA-N 416.319 6.213 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F 409165381 XKZDTPAKAGESLX-IETDBYTCSA-N 418.509 6.131 30 40 HKEB COc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 409354410 DZPBMNZGNOBOJO-STBIYBPSSA-N 406.485 6.861 30 40 HKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cc3ccccc3[nH]2)n1 585293719 KWVHDYXMIDQBJB-XMMPIXPASA-N 423.524 5.004 30 40 HKEB C=C(Cl)Cc1cc(/C(CC)=C(/CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O 1688993 QHBIVKRRLCRTLB-DQRAZIAOSA-N 417.376 7.419 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)sc2c1CCC2 3265337 YLJLHYULCYBQRM-UHFFFAOYSA-N 407.545 5.699 30 40 HKEB N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 4503132 FDGJITHWZJLLDK-GVPYCIPCSA-N 417.534 5.526 30 40 HKEB CCCCc1c(C)c2ccc3oc(/C(=N/O)c4ccc(C)cc4)c(C)c3c2oc1=O 4858023 CHBUMUBQBICVPB-XTCLZLMSSA-N 403.478 6.034 30 40 HKEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CC 5552123 FSSUWOJRXZKBMC-QFGKFHJGSA-N 400.931 5.231 30 40 HKEB C=CCc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)c(OC)c1 5562407 VQOYHRMKDJIHPX-UHFFFAOYSA-N 414.461 5.540 30 40 HKEB C=CCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 8253936 DCTDCRHMMXLIRE-UHFFFAOYSA-N 410.739 5.356 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc2ccccc12 11617231 SSGFJPXUOWTRHW-GYHWCHFESA-N 421.363 6.551 30 40 HKEB CN(C)c1ccc(/N=C(\C#N)c2cccc(/C(C#N)=N\c3ccc(N(C)C)cc3)c2)cc1 13403446 MENPARZFJLXAQL-ZUSIYWPSSA-N 420.520 5.107 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 15011428 HPOKVTAILJCHMB-LDADJPATSA-N 401.940 5.306 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1cccc2ccccc12 16711382 JYRIZQSHQFRKKY-LVWGJNHUSA-N 411.357 7.095 30 40 HKEB O=C(C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O)c1ccccc1 32950891 JKJUNTDNVUOVIG-UHFFFAOYSA-N 413.857 5.129 30 40 HKEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1 35291273 HKPVKFQFZXFACN-UHFFFAOYSA-N 413.502 5.389 30 40 HKEB CCc1cccc(CC)c1NC(=O)C[C@@](C#N)(C(C)=O)c1c(Cl)cccc1Cl 40155623 JBCAGASZSLUUCS-JOCHJYFZSA-N 417.336 5.497 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 50860537 OXSWIZGRCVIYHT-NRFANRHFSA-N 403.570 6.226 30 40 HKEB Clc1ccc(-c2sc(N/N=C/c3ccccc3Cl)nc2-c2ccccc2)cc1 59475131 GUBGVDRPCKEYQC-AFUMVMLFSA-N 424.356 7.230 30 40 HKEB CCOCCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 89987026 OTLQDNRRFUIIGY-FYWRMAATSA-N 424.616 6.359 30 40 HKEB CCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681840 MROPLCIMSIZRIC-AATRIKPKSA-N 402.194 6.472 30 40 HKEB CCOc1ccccc1/C=N\NC(=S)Nc1cccc2cc3ccccc3nc12 104378249 YJDNWNWCZLRLMI-IWIPYMOSSA-N 400.507 5.107 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1 123196012 JNNJOMNLPDCYKP-CXMGNNEISA-N 406.610 6.289 30 40 HKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224967333 RZTRYKSVXQFIPW-UHFFFAOYSA-N 413.926 5.397 30 40 HKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253534297 LFBOEUGQWILAMO-IONMGMEWSA-N 406.566 5.581 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C)cc1 408910757 KPJMIXBCLONHNZ-DYEBMTOPSA-N 419.462 5.397 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 408964505 HJMUGEGMPDYZPD-HYARGMPZSA-N 418.493 5.605 30 40 HKEB CCCCCCCCNC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980391 WEFXGGHSTRAUOH-UHFFFAOYSA-N 415.541 5.710 30 40 HKEB COc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br 409215207 YMZVCAQGZNHCOV-UFWORHAWSA-N 417.528 5.933 30 40 HKEB C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@H]2c1ccc(Cl)cc1Cl 1071938 PXJUOYIUUPMWMQ-FIKIJFGZSA-N 411.288 5.797 30 40 HKEB N#CC1(C#N)C[C@H](C(=O)c2ccccc2)C(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 2226303 HTWAUSQLONLFDW-ZEQRLZLVSA-N 418.496 5.596 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 2360989 WVKUJRXKEZACKK-JYAWBRCSSA-N 401.535 5.392 30 40 HKEB CCCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCCC 2440719 RGCKNEMXZFLQOF-UHFFFAOYSA-N 405.546 5.373 30 40 HKEB COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 3112012 SLIKSFJADMFLHH-LPYMAVHISA-N 423.381 5.063 30 40 HKEB C=CCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c1C 3345731 OWZYBDVSGKAVAP-UHFFFAOYSA-N 416.521 5.148 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 4957614 WVKUJRXKEZACKK-SNPIYUIBSA-N 401.535 5.392 30 40 HKEB COc1cc(/C=N/Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 5833998 JXALOSFSTOUGJA-ZMOGYAJESA-N 410.857 5.072 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCc1ccccc1 6472632 HHSXYDOROIURIP-DLIGHSALSA-N 420.593 6.063 30 40 HKEB biogenic Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(C#N)c3)cc12 6552434 SKGHXGKKXICEAS-UHFFFAOYSA-N 406.898 5.232 30 40 HKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc(F)cc1 7778760 UGQZNKNPTSHFJX-HSZRJFAPSA-N 409.468 5.861 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1 8451270 UKTAGCWLDAWJDX-UHFFFAOYSA-N 411.861 6.041 30 40 HKEB aggregator COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195655 OKLPNSQMIQHBCO-LSHDLFTRSA-N 420.252 5.294 30 40 HKEB Clc1ccccc1/C=N/OCc1ccc(CO/N=C/c2ccccc2Cl)cc1 12619577 AAWGXFUFKTVBQV-BKHCZYBLSA-N 413.304 6.095 30 40 HKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 17090926 KJGRHYDSAIXIPU-AWEZNQCLSA-N 416.974 6.075 30 40 HKEB CN(C)[C@@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)c1cccs1 27793372 KBAMJGFBMIDBHE-FQEVSTJZSA-N 402.523 5.067 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)N(C(=O)c1cccs1)c1ccccc1N2 30823033 OGLRLBHVWNJZEK-NRFANRHFSA-N 406.532 5.630 30 40 HKEB Cc1cccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 32117874 HKNCRDUTRFWSRQ-UHFFFAOYSA-N 418.465 5.984 30 40 HKEB CC(=O)N(c1nc(/C=C2/CSc3ccccc3C2=O)cs1)c1cccc(C)c1C 96924533 DTNGMPMJHAZJSB-BOPFTXTBSA-N 420.559 5.817 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(Cl)cc1 100499523 BLPZKQBRIPJPHH-PNFLQUQDSA-N 415.971 5.724 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Br 408589681 MTFPSEAWGCVEJL-WSDLNYQXSA-N 408.303 5.179 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)S2)c(C)c1 408601270 JMZBQJNPKQXJJE-JAIQZWGSSA-N 410.445 5.733 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl 408779430 WTKOEZSAJQLQFR-FSJBWODESA-N 401.735 6.569 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409063426 BPSAOOSWOLCNLR-UNOMPAQXSA-N 424.283 5.917 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 409116914 MKIVLCJUMYEALX-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 409118607 OOOURDJTWDBQHJ-UHFFFAOYSA-N 417.549 6.404 30 40 HKEB O=C1C2=C(c3ccccc31)[C@H]1c3ccccc3C(=O)[C@]1(c1ccccc1)c1ccccc12 1701945 OCZDUWQNWOTEFF-POURPWNDSA-N 410.472 6.074 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3O)oc2cc1C 4616934 QGEXMAMEWWCXFD-DGFIHBCQSA-N 413.433 6.141 30 40 HKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc1 5610832 SYUSZWJTKHNICD-XLNRJJMWSA-N 415.464 6.569 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1 6071667 ZMVTUIGIADMPRG-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2ccccc2o1 6479180 QYAQSAQQXUVXGH-UHFFFAOYSA-N 418.522 5.225 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 6555320 WJHVLMQRLWIBMA-IXORVSQSSA-N 404.897 7.118 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccccc1Cl 8821138 IUZLHPHORCRVEA-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 9015358 YSSMERIZMPHHKP-HSZRJFAPSA-N 420.553 5.220 30 40 HKEB Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)cc1 12954496 ZFKAZDNJAITUFA-LCYFTJDESA-N 411.284 6.417 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@H]1O 33969738 GMRQFYUYWCNGIN-QQGLGBOKSA-N 416.646 5.705 30 40 HKEB Cc1ccc2nc(N/N=C/c3cc4cccc(C)c4[nH]c3=O)nc(-c3ccccc3)c2c1 46085279 ULPXXOGPWOXFOE-JFLMPSFJSA-N 419.488 5.201 30 40 HKEB COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 59484864 LMTHVERUYXQSAF-JTUXUYRKSA-N 414.530 5.368 30 40 HKEB CCc1ccc2oc(-c3cccc(/N=C\c4cc(Br)ccc4O)c3)nc2c1 100159617 NYEHBPHARDZEES-CFRMEGHHSA-N 421.294 6.276 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)Nc2ccccc2)C1 101892154 RSIOQRFUJGTMTP-VXIMLZEYSA-N 416.590 6.902 30 40 HKEB C/C(=N/c1cc(-c2ccccc2)n[nH]1)C(C)(C)/C(C)=N/c1cc(-c2ccccc2)n[nH]1 102902369 ABCMHMSDLKATAM-JTXLREJOSA-N 410.525 6.378 30 40 HKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224728735 JHHHSFVRCYRGBO-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224966696 FXGCFUVHCKQCDV-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 408536445 ZNJLDGUTKNSPTC-LICLKQGHSA-N 422.358 5.964 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 408876334 NWJAKZQRDFUGFF-MTJSOVHGSA-N 422.937 6.092 30 40 HKEB Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1 409011475 FQOPNYLQKFQYOQ-WPWMEQJKSA-N 416.590 7.027 30 40 HKEB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(Cl)cc1 409023504 FXWHEZCDJZFRMH-CUVVSLBBSA-N 409.898 5.070 30 40 HKEB CC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(C)cc32)S1 2270445 VURLRJSHWOZOJJ-RELWKKBWSA-N 423.628 6.675 30 40 HKEB CCOC(=O)CCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 2400875 UKHWHVQLCSXJOD-UHFFFAOYSA-N 400.447 5.136 30 40 HKEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F 2801339 PGSXCMLQDMJNHZ-LJQANCHMSA-N 419.443 5.039 30 40 HKEB Cc1cccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)c1 3101027 YWGFKQFHFCUKHY-SSDVNMTOSA-N 418.365 5.076 30 40 HKEB Cc1cccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3O)nc12 3114305 XJANARCTSDPDNZ-YSURURNPSA-N 413.260 6.272 30 40 HKEB Cc1cccn2c(=O)c(/C=N/[C@H](C)c3ccccc3)c(N[C@H](C)c3ccccc3)nc12 4145267 SXHRDXKEEZZFIP-CXWNSHNOSA-N 410.521 5.356 30 40 HKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 6396796 RCEAWEJJIYCRBR-SRZZPIQSSA-N 409.711 5.687 30 40 HKEB N#Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)c1 6531603 NISJBXLSLFMUER-UHFFFAOYSA-N 400.482 5.296 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 9425753 UTTKTFFMPYZHJB-CVXQDMMISA-N 418.949 6.187 30 40 HKEB CC(/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C\c1ccccc1 15011457 RVKDARJYUNCINP-ZKQKEKEQSA-N 421.508 5.860 30 40 HKEB S=c1ss/c(=N\C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 16450736 FJPXMHIJROTFCE-IKJQKJQYSA-N 405.573 6.009 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2Cl)cc1 16977448 DBYHVOFMSRDZEB-NRFANRHFSA-N 421.855 5.570 30 40 HKEB N#Cc1ccc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)cc1 95349159 MTCUJWBWHBDWBU-UHFFFAOYSA-N 410.296 5.119 30 40 HKEB CCCCCCCCCCCNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100025465 CZKFHRMJGGVZRH-UHFFFAOYSA-N 400.607 6.466 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 102625005 SOVSBXVVBYSGGG-NXLSWJSLSA-N 419.565 6.120 30 40 HKEB Cc1c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc2n1C 408821066 BYKHQUIFQGRLHB-HXNPFYCNSA-N 423.541 6.295 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn12 408822699 SLPIYMQMALHHQN-BHGWPJFGSA-N 416.695 6.418 30 40 HKEB O=C1/C(=C\c2ccc([N+](=O)[O-])o2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408907927 QJTMPFVXFDQZEB-MVPFZZEBSA-N 419.462 5.035 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(F)cc1 408960571 MVUSWARQWPJROD-XOLKAKTPSA-N 409.530 5.358 30 40 HKEB Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2cc(Br)ccc12 408977323 VJUVXCSUJPKHNR-ZMOGYAJESA-N 420.310 5.861 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409104802 FNZDWGBXIYRTRS-JFLMPSFJSA-N 421.460 5.592 30 40 HKEB Cc1ccc(COc2ccccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 409209930 JURRDZUWVPYQJZ-QMSJJHEMSA-N 408.567 5.663 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)S/C1=N/c1ccc(F)cc1 409220864 HBGSSOZDJUYERA-ZXOKNOEDSA-N 420.513 5.252 30 40 HKEB O=C(/C=C/Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl 2052410 IZOXGRNBIJBELF-AATRIKPKSA-N 405.506 6.218 30 40 HKEB O=c1c(/N=C/Nc2cccc(Cl)c2)cn(-c2ccccc2)nc1-c1ccccc1 5259566 QFXREUGOEUNTIR-UHFFFAOYSA-N 400.869 5.325 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(Cl)cc1 5517766 DKCXHKYNXTWKKG-UZYVYHOESA-N 405.748 6.051 30 40 HKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)cc1C 5546573 SXQFMWDHJJRGGB-NQFKHPPRSA-N 415.536 7.642 30 40 HKEB Cc1ccccc1N/C(=N\c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 6996765 SBRMTPQOKKAZOO-UHFFFAOYSA-N 414.593 7.486 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 8397685 CVSICFDKBAGPAV-SMIHKQSGSA-N 421.525 5.341 30 40 HKEB CCOP(=O)(N=C(N[C@H](C)c1ccccc1)N[C@H](C)c1ccccc1)OCC 8656238 RWGSNFKLDMHYDQ-QZTJIDSGSA-N 403.463 5.225 30 40 HKEB COC(=O)c1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)ccc1Cl 16194064 UEOMMLKKVXQCIE-BRJLIKDPSA-N 424.909 5.949 30 40 HKEB Cc1cccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2c[nH]c3ccccc23)c1 18099665 ZSHCLQJTSSSARQ-UHFFFAOYSA-N 421.529 5.888 30 40 HKEB aggregator Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 21356208 LECCXYDJOWZLEC-DEOSSOPVSA-N 414.530 5.877 30 40 HKEB CCCCCCC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 68571765 IRLPWWSRHJOKPQ-GOSISDBHSA-N 400.604 5.935 30 40 HKEB biogenic CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)O[C@H]1C[C@@]3(C)CC[C@H]1C3(C)C)C2 100744668 CLHQHYNIOKAGEX-GEPGZONOSA-N 420.658 5.052 30 40 HKEB CCCCCCCCCCCCN[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 100909043 XVMOUBSFECQDTM-HXUWFJFHSA-N 410.986 5.632 30 40 HKEB Cc1c(CCC(C)C)/c(=N/c2ccc(Cl)cc2)n2c([nH]c3ccccc32)c1C#N 102594463 BGHFZZGBXMIUEC-VYIQYICTSA-N 402.929 6.075 30 40 HKEB O=C(CO/N=C\c1ccc(OCc2cccc3ccccc23)cc1)Nc1ccccc1 107619729 RNLJSGLDEPJJCP-PKAZHMFMSA-N 410.473 5.408 30 40 HKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408594946 VCNPIWJYAXLYKI-MZJWZYIUSA-N 414.534 5.329 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408780670 HNAFHMUVEQZHQK-FYHAJLKWSA-N 409.371 7.121 30 40 HKEB O=C(Oc1cccc(/C=N/Nc2nc(-c3ccccc3)cs2)c1)c1ccccc1F 408949270 FHLBYULJPAJPQT-AFUMVMLFSA-N 417.465 5.614 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCCCC2 408969736 SRIOXBGNBUDTDF-WGOQTCKBSA-N 422.981 7.063 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 880612 BYCRXZDLYQCUQV-YDZHTSKRSA-N 403.394 5.258 30 40 HKEB N#Cc1cc2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)CCCCCC2 1444158 USBILJVESABRAG-UHFFFAOYSA-N 419.472 5.362 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)S/C(=N/c2ccc(F)cc2)N1c1ccc(F)cc1 4649269 UQUJMRJADVNZDN-LUQQFKSDSA-N 410.420 5.913 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 4889294 WTXCCRJQCPCOEX-PTHMFHIQSA-N 409.555 5.028 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 4889376 XIHYHVVFWMMUCK-SNPIYUIBSA-N 417.534 5.093 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O 8935100 UGHMUSWIVOVFPD-FOKLQQMPSA-N 423.812 5.521 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1Cl 16346859 KXSKMJFGGQAUHM-AFUMVMLFSA-N 405.885 5.457 30 40 HKEB C/C(=N\N=c1/scc(-c2ccccc2)n1CCc1ccccc1)c1ccc(F)cc1 16711542 MEHHQFMTQKIONT-CKVXONSUSA-N 415.537 5.923 30 40 HKEB C/C(=N\c1ccc(C)cc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 18099063 RUFMUENJESORJD-WYMPLXKRSA-N 416.428 5.656 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1C(F)(F)F)OCO3 18197494 VDUCFTVUDLKXSL-HXUWFJFHSA-N 415.411 5.635 30 40 HKEB CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 18250699 IUEDIFOODUOALH-HRFSGMKKSA-N 409.533 5.732 30 40 HKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1Cl 19861277 GGCBMLNDDRSMJS-OVVQPSECSA-N 401.941 5.452 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCCCC3)cc1 101183270 BWIVJQAUPVOWQC-OEAKJJBVSA-N 410.564 6.090 30 40 HKEB Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 253612729 IMNDFBDCURASER-JLRUASKGSA-N 419.589 5.445 30 40 HKEB CCc1nnc(S)n1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408852783 IELJUTWTGPXJNU-ZMOGYAJESA-N 422.941 5.397 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408935268 CLCFOUFJHUFPAY-PAIWINSPSA-N 424.544 6.671 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 409113059 DINJFSKJEWUYQA-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 2110624 PMNYPDRXCXMPLE-CQSZACIVSA-N 419.506 6.269 30 40 HKEB CCOc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1 3139399 LAHRQTQYELSXSX-DPYVXGJJSA-N 413.433 6.217 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1OC 4595239 GCEFTJLVZYSYAH-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccc(Cl)c(Cl)c2)c1=O 8733527 WULHHXJYFRZLKP-UHFFFAOYSA-N 424.114 6.049 30 40 HKEB Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 10118690 HRWFWJIQWDXGBL-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 10118976 YUZDJOFNVJQPSV-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB Clc1ccccc1-n1cccc1/C=N\N=C/c1cccn1-c1ccccc1Cl 17174997 ATRABQWKGJGCSE-YXHOTNNGSA-N 407.304 6.028 30 40 HKEB Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N\c2ccccc2Cl)c1O 17241934 QUNIAGQZWWNOOV-DICXZTSXSA-N 414.892 6.510 30 40 HKEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611501 NTLHMZUGNYFJNG-AWQFTUOYSA-N 411.314 5.060 30 40 HKEB COCc1cc(C)nc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1C#N 59433716 MKCBWHNNVBEEFC-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954426 RYYXDGLYWFTLLQ-HXUWFJFHSA-N 419.569 5.926 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 103168282 NVPRMCVGVSRSBD-IAGONARPSA-N 407.296 6.786 30 40 HKEB C/C(=N\c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)C(C)(C)C 109354571 HKFBOLNUCLKASM-LHLOQNFPSA-N 420.578 6.221 30 40 HKEB C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 225925196 HDXHWTNQOYHCCD-UHFFFAOYSA-N 418.493 5.048 30 40 HKEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O 408529546 IJYYXURXSLHITQ-RCCKNPSSSA-N 403.528 5.810 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408782351 HGSPOPBGTRPPFH-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O 408851288 XHDMDRZCIHHWMA-MFOYZWKCSA-N 423.321 5.292 30 40 HKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccc(F)cc3)cc2)c1-c1ccccc1 408982705 YQQIWBCBCBGFCK-UHFFFAOYSA-N 409.464 5.896 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCCC2)cc1F 409102638 ZDMUQZSCTFLUMK-WYMPLXKRSA-N 410.371 5.189 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 409207882 BWRINGDSQRKDMW-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(O)c1 1431059 BDQMLQSIFFYOPW-SSDVNMTOSA-N 409.239 5.419 30 40 HKEB CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)cc1 2110626 PMNYPDRXCXMPLE-AWEZNQCLSA-N 419.506 6.269 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(SCC3CCCCC3)c2C#N)cc1 5917773 ZJJMOKVQCVAWQX-UHFFFAOYSA-N 414.574 6.968 30 40 HKEB CCCn1c(C)cc(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1C 6187118 OTUOEEXPIVRKNO-UHFFFAOYSA-N 416.550 5.471 30 40 HKEB N#Cc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 12360350 IEDLVJXBSJZNAW-AREMUKBSSA-N 400.437 6.000 30 40 HKEB COc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cn1 15225724 GFUDZNOOPYZEJB-RGVLZGJSSA-N 403.301 5.656 30 40 HKEB CN1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3cccs3)c2C1 19902749 KYGMPTJPHYKBFN-UHFFFAOYSA-N 411.983 5.615 30 40 HKEB Clc1ccc2nc(N/N=C\c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1 31870169 BBZZACKEAGNELV-VYYCAZPPSA-N 410.868 5.339 30 40 HKEB CC(C)c1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984106 ORDDFBQAIGHCQL-UHFFFAOYSA-N 403.503 5.460 30 40 HKEB CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)cc1 36444293 YQBZMGXOWNSVJL-UHFFFAOYSA-N 420.552 6.685 30 40 HKEB in-vitro Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 59137694 LSIDMRVLCNKOOP-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ccccc3SCCC#N)c(C)c12 95953493 IXRCQOQWYHFMSZ-UHFFFAOYSA-N 424.595 5.864 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2F)c1 100145054 JPOLKQCWAATQLF-ZXYASIKESA-N 413.448 5.317 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)Nc2ccccc2)C1 101892159 RSIOQRFUJGTMTP-QRKUKRBDSA-N 416.590 6.902 30 40 HKEB CCCCCCCOc1ccc(C(=O)Oc2ccc(C3CCSCC3)cc2)cc1 103017080 IUHVHIHEEKTOGF-UHFFFAOYSA-N 412.595 6.866 30 40 HKEB CN1/C(=C/C=N/c2ccccc2I)C(C)(C)c2ccccc21 103454669 VDUCZOQGDMZEBC-XLECEWEHSA-N 402.279 5.305 30 40 HKEB Cc1cc(C#N)c(SCC(=O)Nc2cccc3ncccc23)nc1-c1ccccc1 215678313 KNWKQLRDHWRPSM-UHFFFAOYSA-N 410.502 5.208 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224564333 FZSMKLOLVOKLNP-UHFFFAOYSA-N 424.547 5.018 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1cc(C)ccc1C 408905867 FXECSMVQUFLAAL-FTIPTLOASA-N 415.356 5.690 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OC 408909370 CQJZPVXWOHLGDY-FTJNEJEMSA-N 424.566 5.670 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 408961614 TWHXWDKRQCUZMG-OUUDUQSLSA-N 405.567 5.609 30 40 HKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)c1 409098870 MLWZYXKNTBNGSY-VAWYXSNFSA-N 414.288 6.603 30 40 HKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(Br)cc3)cc2)cc1 409099524 OBOIZMWJZNOZDJ-CCEZHUSRSA-N 424.294 6.059 30 40 HKEB CCCc1ccc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1 585293582 JHJAIPABAGJZOU-HSZRJFAPSA-N 416.529 5.068 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 2658473 XLAMLGJTWWGPNC-UHFFFAOYSA-N 424.978 6.257 30 40 HKEB CC(C)(C)c1ccc(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)cc1 5093844 YESWZQGEJPPZPW-KOEQRZSOSA-N 418.566 5.920 30 40 HKEB Cc1c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc2n1C 6328794 WGCNGJVHOOTXID-UXHLAJHPSA-N 415.496 7.036 30 40 HKEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)cc1 13108414 SOWHRDMSYCTZHO-BUVRLJJBSA-N 419.326 5.580 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c1OC 13786756 BXUAEZPYONHJOC-UUYOSTAYSA-N 406.409 5.038 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)[C@H]1C(=O)CN=C(c2ccccc2)[C@@H]1c1ccccc1 19203728 RQRCXSWMJGLQTL-GGCQMZMESA-N 413.904 5.394 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 27229943 CMPHKRASTYZUJJ-AHHHDHMGSA-N 423.541 6.593 30 40 HKEB CCCCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984107 MQPZLLNEKPIPDT-UHFFFAOYSA-N 417.530 5.679 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1C 59224010 OXDDVIBCBBXOPL-NDENLUEZSA-N 418.474 5.153 30 40 HKEB Cc1cc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1F 59250015 HGWZXRJCBRIGFZ-LSHDLFTRSA-N 424.722 7.045 30 40 HKEB C[C@H](Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 59303242 KALZZGPEXANQQE-RGLOIFOXSA-N 403.522 5.757 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1c(C)cccc1C 68766783 BQDZDJADGLUHJT-FDHBPBSMSA-N 421.566 5.067 30 40 HKEB COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(Br)c3)nc1-2 408723486 VSBRDJYQLJZDRB-AWQFTUOYSA-N 401.285 5.224 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 409209285 IOUVJTDKQMXGEI-VULFUBBASA-N 414.332 7.030 30 40 HKEB Cc1ccccc1Oc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 409215700 AALZLSOWBXJGIY-MTDXEUNCSA-N 423.516 6.340 30 40 HKEB CC[C@@H](C)CN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 2177567 ZKXIBAPBUKLSKR-SAFFEFKRSA-N 409.511 5.553 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1C 2339434 YURDJLQINMFDHD-UHFFFAOYSA-N 406.555 5.041 30 40 HKEB Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C2CC2)c1 3313175 BQDOPMHESQMRIJ-NJGFXUCASA-N 421.566 5.043 30 40 HKEB CC(C)c1ccccc1-n1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O 3313687 ZLMFNEBTMHAYPI-UHFFFAOYSA-N 411.530 5.673 30 40 HKEB N#CCCSc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 4176934 DNDZNWVBUJWOHH-UHFFFAOYSA-N 400.459 5.204 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 4545628 RSIOQRFUJGTMTP-IPISDEMTSA-N 416.590 6.902 30 40 HKEB Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 6044203 NSRCRDACHIXIQB-KRWDZBQOSA-N 405.567 5.673 30 40 HKEB C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccoc1C 8314335 NMTMBWITTXMNHN-UHFFFAOYSA-N 413.890 5.028 30 40 HKEB O=C1/C(=C/c2cccc3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 12375813 AUHYROYQVSKFDP-BDMFQALQSA-N 412.558 6.777 30 40 HKEB O=C(/C=C/c1ccccc1O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 13987299 PFBPUGVRIWRSNC-JLHYYAGUSA-N 401.849 5.450 30 40 HKEB Cc1sc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C 17088422 DTLVZXPYPIIMPI-GQCTYLIASA-N 410.351 5.070 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1F 20034397 GAWKKKJTCYHEJD-ZHZULCJRSA-N 417.436 5.148 30 40 HKEB COc1ccccc1C(=O)/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 34630562 XBBNZGWNCBWFDK-RKVROBFMSA-N 423.556 5.731 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1 97995855 KEVDCUYVZLNMNA-UHFFFAOYSA-N 423.380 7.732 30 40 HKEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102583498 TVPYMKNVSJOBIA-MRJHHRETSA-N 421.880 5.117 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408975110 HPUGKTXOEJYMMQ-ZVHZXABRSA-N 415.478 5.535 30 40 HKEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)c1 408989587 UDLVNKVYSZCQNW-KQWNVCNZSA-N 417.505 5.252 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 409210132 IMEFRWASVQJJKP-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Br)cs2)S/C1=N/c1ccc(F)cc1 409220612 CDCJLQZUKSQYDC-NNBJUWIKSA-N 411.321 5.274 30 40 HKEB N#Cc1ccccc1C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105766 JZLVMSVDAQGASD-UHFFFAOYSA-N 412.464 5.073 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 878298 KGIQJXFNNZAALO-HSZRJFAPSA-N 418.512 5.377 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 1881823 OFFLPQQWVNKUFN-WSDLNYQXSA-N 409.308 6.182 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 2170152 XQGUOITYCJXRHP-WOJGMQOQSA-N 403.862 5.280 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCN1CCCCCC1 2188628 OFWWGIXRAJJKFT-UHFFFAOYSA-N 419.619 6.317 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2c(Cl)cccc2Cl)c1=O 3128324 UNRYZZRZHOLWJP-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB Cc1cccc(-n2nnnc2C2(/N=C/c3ccc(Cl)cc3Cl)CCCCC2)c1 4535020 AJMMRFOQOIDSQS-ZVHZXABRSA-N 414.340 5.556 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O 4910639 DMVPLLODPYNUCR-SFHVURJKSA-N 423.944 5.051 30 40 HKEB N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 5265175 BPESJLKQRNRKEC-UHFFFAOYSA-N 404.882 5.063 30 40 HKEB Brc1ccc(/N=C/c2c(-c3ccccc3)nnn2-c2ccccc2)cc1 5685030 JCDNBONMNSHGJD-HZHRSRAPSA-N 403.283 5.447 30 40 HKEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(C(C)(C)C)cc1 6364102 UBUZAUKAKDJNNB-UHFFFAOYSA-N 403.555 5.597 30 40 HKEB C=CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649691 WNDTTZNSVDJCIJ-UHFFFAOYSA-N 418.331 5.329 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17092186 RDKBEMHZEHAXFE-MQNRADLISA-N 420.472 5.526 30 40 HKEB CC(C)c1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 33527511 IJOGFPQYYMEHLQ-SRZZPIQSSA-N 400.345 6.142 30 40 HKEB CCOC(=O)c1ccccc1N/C(=C/C(=O)c1ccc(Br)cc1)CC 59489022 MNFSECIQVQQQBX-DTQAZKPQSA-N 402.288 5.215 30 40 HKEB CCCCCCCN(CCCCCCC)CCC[C@H](O)c1cccc2ccccc12 100690408 VFZXZPQSETWINW-NDEPHWFRSA-N 411.674 7.896 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)NC(N)=O 104335009 AWUMPPHEZCYUHJ-HNENSFHCSA-N 410.599 5.542 30 40 HKEB CC[C@H](C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795802 HKPIYIZCTLYBFZ-YFKPBYRVSA-N 400.184 5.042 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 408771351 HKNDBRPRTFNTEQ-CVKSISIWSA-N 418.493 5.116 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408945186 WDFOHHADARMGPQ-JISQMYCESA-N 416.524 7.123 30 40 HKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 409082511 STJHOCPHPXSVOS-IMVGLAPISA-N 424.566 6.074 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409116492 MBLPTHSLHLIXOC-UHFFFAOYSA-N 423.940 6.277 30 40 HKEB Cc1ccc(CCCN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295150 NERIVIBCGSNLSY-FQEVSTJZSA-N 407.543 5.215 30 40 HKEB C=C(C)C[C@H]1C=CC[C@H](CC(=C)C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 4951277 DGSKIQFMHNWEFR-KFWWJZLASA-N 403.382 5.112 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 8385946 LNRCGHMSUKJHHS-NLFFAJNJSA-N 406.570 6.267 30 40 HKEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 9833733 PFUCPXLJHDWIFZ-QFIPXVFZSA-N 408.530 5.741 30 40 HKEB N#Cc1ccccc1CSCCNc1ncnc2sc(-c3ccccc3)cc12 12692357 XMNZXUCJFPXMFI-UHFFFAOYSA-N 402.548 5.575 30 40 HKEB c1ccc(C/N=C2\c3ccccc3[C@@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 16973587 ZCLGJVKIUWRQMS-YDWGGKTOSA-N 400.525 5.818 30 40 HKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1Cc1cccnc1 18143322 VYFYMKPSWAKDJB-PRGMTJJQSA-N 410.502 5.367 30 40 HKEB N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCN(Cc1ccccc1)C2 19683193 LJFMAPCPBRCDLE-UHFFFAOYSA-N 405.954 5.457 30 40 HKEB Cc1nc(CSc2nc(N)c(-c3nc(-c4ccccc4)cs3)cc2C#N)cs1 32719107 LMQMISHTXYZADV-UHFFFAOYSA-N 421.576 5.383 30 40 HKEB CCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 32950904 ZPHBITOOFVNKBH-UHFFFAOYSA-N 407.466 5.038 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 35126455 KSARYMQPOVDXMP-WQRHYEAKSA-N 415.301 6.145 30 40 HKEB [N-]=[N+]=N[C@]1(c2ccccc2)C(=O)C(Cl)=C(c2ccccc2)N(c2ccccc2)C1=O 73311273 LJCSWOKTCLISLU-HSZRJFAPSA-N 414.852 5.416 30 40 HKEB CCCCCCCCCCCCOc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1 97982689 XTLBOPVCYJJIFM-YYDJUVGSSA-N 424.629 7.142 30 40 HKEB CN(C)c1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 102233280 HRTGNNWRZGHSOQ-VUTHCHCSSA-N 420.581 7.148 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916314 OCCYLBDLKHPVGI-HGKMEEPJSA-N 413.001 6.306 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc2ccccc21 408692409 LXXVUPSPIDAPSQ-WSDLNYQXSA-N 409.833 5.324 30 40 HKEB O=C1/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)Sc2ccccc21 408840753 FKMDQRRSPLEBBZ-MTJSOVHGSA-N 413.325 6.902 30 40 HKEB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O 409020308 NUAWEEVOWXTDNO-KECVIQKOSA-N 413.568 5.479 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 1222309 FXFIPYROHQMRIG-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1 5003349 DMBXGTOZHLKJNU-PCLIKHOPSA-N 409.449 5.473 30 40 HKEB CC(C)(C)C1CCC(=NNc2nc(Nc3ccccc3)nc(N3CCCC3)n2)CC1 6298132 YHYUXHUTUSKJTD-UHFFFAOYSA-N 407.566 5.220 30 40 HKEB O=C(O)C(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1ccc2ccccc2n1 6346262 WGVHFAKEOVYRQO-JWGURIENSA-N 409.441 5.008 30 40 HKEB Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2SCC#N)c1 9491214 JGBUGOFNKOKGLW-UHFFFAOYSA-N 419.337 5.386 30 40 HKEB COc1ccc(NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C)=O)cc1 12568383 DDNVBKPKJZYAKO-YDZHTSKRSA-N 422.912 5.367 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3)ccc2C1=O 12877735 ZFBVCHBAJWUCFA-DNPFKWNUSA-N 410.425 5.229 30 40 HKEB biogenic Cc1ccsc1/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O 13786640 KOEKYCKPFUXARI-GRSHGNNSSA-N 400.858 6.044 30 40 HKEB Brc1cc2c(cc1/C=N/c1ccc3nc(-c4ccccc4)[nH]c3c1)OCO2 15134768 FJNJFYQPRBESMT-FOKLQQMPSA-N 420.266 5.472 30 40 HKEB CCC(/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 16943569 BZPYOPJZSDFPPH-JJIBRWJFSA-N 418.453 5.687 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(Cl)c1OC 32831751 VRINHSVUHRIFOT-IZZDOVSWSA-N 416.905 5.173 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)C2CC2)C[C@@H](O)C[C@@H]1O 38791641 HQKYZTGFOOKQAV-HQKKLWNISA-N 412.614 5.523 30 40 HKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1c(F)cccc1Cl 58196701 PFKYWBQNQVWZKP-CCEZHUSRSA-N 401.868 6.899 30 40 HKEB CC(C)=CCC1=C(O)C(C(=O)CC(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O 100050208 WPVSVIXDXMNGGN-UHFFFAOYSA-N 414.586 6.864 30 40 HKEB biogenic,in-vitro Cc1ccc(N/C=C/C(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 100142930 LKJXNKMPEQAALV-VAWYXSNFSA-N 412.316 6.689 30 40 HKEB O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 100644059 ZZSCOBSBVCVPGZ-HJVIKEODSA-N 421.456 6.469 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC[N+]1(C)CCOCC1 104177298 SVQQTWPONOILKK-UHFFFAOYSA-N 412.679 6.268 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1O 104380391 YQJXDIHETZLGBB-CJLVFECKSA-N 408.568 5.019 30 40 HKEB Cc1ccc(C2=C/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)O2)cc1 408743417 TWLMTFOEWWGNGM-OEAKJJBVSA-N 416.480 5.851 30 40 HKEB CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408859566 VFDYQILQGIYAAJ-QQXSKIMKSA-N 402.563 6.753 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c2ccccc21 408916170 VNOHZNKSRHHCCY-LBMUFILHSA-N 401.535 5.624 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931897 RTKOVIARBFQQFA-WTJYETQFSA-N 402.922 5.113 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)Nc2ccccc2)C1 409078963 JQMFLBLYZMOEGG-GEGDGZKASA-N 417.578 6.297 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc(O)cc3O)c(C#N)c2-c2ccc(C)cc2)cc1 409348852 PQTPKHLCWMTSKV-RWPZCVJISA-N 408.457 6.264 30 40 HKEB CCOc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531383985 BDXRZTAAZKEZPR-MTDXEUNCSA-N 419.484 5.498 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c([N+](=O)[O-])c1 4065143 ZMNRVTUMTATCLP-LPYMAVHISA-N 401.382 5.097 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl 4690385 ZNMHTMSTKADAHX-MZJWZYIUSA-N 423.940 6.051 30 40 HKEB C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1c2ccccc2cc2ccccc12 5286350 VDLDFNCOFCWPAT-NDZAJKAJSA-N 411.508 7.142 30 40 HKEB O=S(=O)(/N=C(/Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(F)cc1 6250901 ZQSKMIQPPZPAKO-UHFFFAOYSA-N 422.403 5.092 30 40 HKEB C=CCN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S 6947301 NDZZJDAETGPVKV-KEBDBYFISA-N 411.592 5.247 30 40 HKEB COc1ccc(-n2cccc2/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1 9311840 NPHLZDULFVNDRJ-MOSHPQCFSA-N 423.925 5.339 30 40 HKEB O=C(CC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Cl)cc1 10034868 ZPIPBJRNUIDDIG-UHFFFAOYSA-N 418.905 5.912 30 40 HKEB CCc1cc(SCC(=O)Nc2cc(C)cc(C)c2)n2c(nc3ccccc32)c1C#N 12541746 HGZMPXDLVFSGPW-UHFFFAOYSA-N 414.534 5.269 30 40 HKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 13629976 KCAOMCSGHNNFQA-HHLUSPNUSA-N 402.833 5.575 30 40 HKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)[C@@H](C(=O)O)C1 17090088 NUZJEQWIZIHZSO-OIISXLGYSA-N 414.571 5.156 30 40 HKEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1 46084887 WPHHERGAZSLWKR-NKFKGCMQSA-N 407.297 5.143 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1OC 408918384 JUZAKZJWIFWXFR-YKQZMZHDSA-N 420.490 5.101 30 40 HKEB CCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928330 AACHVZYPUNNGBJ-REHDBGDWSA-N 409.530 5.440 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408953547 WPUXRHGCCAAGBX-NXYZXBHKSA-N 408.929 6.710 30 40 HKEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C 408967734 UDRJEGLRQQUKOB-QFEZKATASA-N 400.438 5.310 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl 409200128 HBVJKAWQGUQWOW-HDKKRFQTSA-N 411.354 5.095 30 40 HKEB CCOC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409248612 LNWYOVRVUFZLGL-YUMHPJSZSA-N 400.453 5.756 30 40 HKEB O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)Cc2ccccc21 409373470 WLEHEUZLVLRMLQ-LTGZKZEYSA-N 410.900 6.895 30 40 HKEB Cc1ccn2cc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 2288481 UZBWOMFYAFWXKQ-FSJBWODESA-N 406.283 5.528 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 4199707 NFKFWPZUFLIRQA-WINIVTDRSA-N 424.500 5.703 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Cc2ccccc21 6340275 PXKRBJRBORTYIS-JLHYYAGUSA-N 410.223 5.440 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950531 CFSRTYHAJKLFTE-UHFFFAOYSA-N 422.550 6.051 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccccc1N2 12652248 DYRXXLNDGPKCRY-HSZRJFAPSA-N 404.491 5.091 30 40 HKEB CC(C)c1cc(C(C)C)c(/N=C/c2ccccc2)c(C(C)C)c1/N=C\c1ccccc1 17286744 GDEHVUVSJMBQMX-LJHNCSMGSA-N 410.605 8.558 30 40 HKEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 17995575 LCYKYGDHMKJNHS-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB CCC(CC)c1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 24148102 RKUIRRWFMOSFJL-UHFFFAOYSA-N 414.553 5.361 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)c2c(sc(C#N)c2N)N1 28465154 MXZHHSHVFAKDJN-SFHVURJKSA-N 420.925 5.325 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(C(F)(F)F)c1 28466573 DCUNIGDOKTXZCD-UHFFFAOYSA-N 418.455 6.106 30 40 HKEB CCCCCCCCCCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 50860152 FQMDKEVCPSRDMJ-UHFFFAOYSA-N 416.613 7.181 30 40 HKEB CCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1 103008838 JZXHMRKIBWALEV-UHFFFAOYSA-N 412.570 7.214 30 40 HKEB CC(=O)[C@H]1[C@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118920565 KKCSMFAZRNSRNN-DLTWVWCASA-N 400.632 5.276 30 40 HKEB CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C 223578862 XCCNBZMUCONUNG-CPEHUTGBSA-N 419.594 5.999 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1cc(Cl)ccc1Cl 408586877 CVEOAXMLCBVLQA-FOKLQQMPSA-N 415.349 6.457 30 40 HKEB O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)Sc2ccccc21 408820476 XXZDZKKDNWJRFK-MTJSOVHGSA-N 413.325 6.902 30 40 HKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409210110 DRUYXSDCGZXDSH-ROTLSHHCSA-N 404.724 7.285 30 40 HKEB C=CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(OCCCCCCCC)cc1 953013593 HNRIBPWYLHASCA-UHFFFAOYSA-N 414.590 5.394 30 40 HKEB C=CC[C@@H]1C[C@H]2CC3(CC[C@]2(C)[C@@H]2CC[C@]4(C)[C@@H](OCOC)CC[C@@H]4[C@H]12)OCCO3 1776011298 XWARBRAJICOSKJ-PRIHWHPVSA-N 418.618 5.564 30 40 HKEB COC(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 1857794279 SBAMYIZHWVYJAX-HXUWFJFHSA-N 404.853 5.034 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O 847900 DFKYYTFCXMSRBE-FSJBWODESA-N 423.266 5.722 30 40 HKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)c1 2104440 UBOUAALERWOOLY-CFRMEGHHSA-N 414.457 5.654 30 40 HKEB biogenic O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1csc(-c2ccccc2)n1 2350707 DQYKHTWUDQXBAQ-ZEQRLZLVSA-N 413.498 5.712 30 40 HKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O 3127170 HXDHCALKQHAGJS-CGOBSMCZSA-N 423.572 5.486 30 40 HKEB Cc1ccccc1[C@H]1Sc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 4747096 ORNKJDXOZSVFIL-WXTAPIANSA-N 415.533 6.794 30 40 HKEB COc1ccc(C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1 5555359 HCMHZYKTILSKPS-XLNRJJMWSA-N 411.501 6.557 30 40 HKEB COc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 5670705 VCKSPXNUQGAIAG-FSJBWODESA-N 408.255 5.412 30 40 HKEB CCC1C/C(=C\c2ccc(C(C)(C)C)cc2)C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C1 5950931 XVFBABGUDRHKDC-WJFDJXNHSA-N 414.633 8.138 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc(Br)c1O 6047354 VIVGXPXXBDTJFK-KPKJPENVSA-N 415.327 6.107 30 40 HKEB O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3O)cc2[nH]1 6402699 MHKIWANVKPWFME-BHGWPJFGSA-N 412.276 5.210 30 40 HKEB C=CCn1c(SCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccoc1C 6586278 HMWQAXRVSDELMP-UHFFFAOYSA-N 410.930 5.835 30 40 HKEB COc1cc(/C=C2\SC(=S)N(c3ccccc3C(C)C)C2=O)ccc1OCC#N 8824447 LFHKYJVAZMFAAS-MOSHPQCFSA-N 424.547 5.127 30 40 HKEB O=C1C(=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C(=O)c2ccccc21 59639161 RRCBPZBEUCNZRC-UHFFFAOYSA-N 415.851 5.945 30 40 HKEB Cn1c(=O)c(C(=O)/C=C/c2cccc3cccnc23)c(-c2ccccc2)c2ccccc21 69351894 LSBAXXYOQINPON-WUKNDPDISA-N 416.480 5.650 30 40 HKEB COc1ccc(C(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1 100338221 QTLQKJJAHJCVIH-GDNBJRDFSA-N 417.305 5.024 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc12 226362493 LSZYASPNJKZXES-PKNBQFBNSA-N 407.256 6.433 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 408772070 AKWCATTZUVWASE-MYYYXRDXSA-N 419.506 5.216 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 408782721 YPHAHBDHGKPTGM-ZVHZXABRSA-N 405.454 5.238 30 40 HKEB Cc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1[N+](=O)[O-] 408978447 MDJBRBMYXUZXGG-ZVHZXABRSA-N 405.523 6.825 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409203853 YJGQVDSIJKIYEK-ZVHZXABRSA-N 410.857 5.977 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 409211236 NCWABMVSHGDDDB-VULFUBBASA-N 414.332 7.030 30 40 HKEB COc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409217907 RNSBNXZFKPYKKU-MXAYSNPKSA-N 416.355 6.165 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 2343171 MWGUENIFBORDOX-WCQPBMKCSA-N 415.562 5.782 30 40 HKEB CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 4622538 OAEHRXFMIBWVHX-RUZDIDTESA-N 423.516 5.997 30 40 HKEB CC[C@@H](C)Nc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n12 5454853 ZGQDDDGOLITISL-OAHLLOKOSA-N 402.929 6.122 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2Cl)c1 8384898 SCEIGZQADZCQNZ-KGENOOAVSA-N 420.921 5.811 30 40 HKEB COc1ccc(Cl)cc1/N=C1\S/C(=C/Nc2ccc(C)c(Cl)c2)C(=O)N1C 8927951 LALYLIXLZKSNME-GMFGMJKXSA-N 422.337 5.457 30 40 HKEB N#Cc1c(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)sc2c1CCC2 13149906 BHFAJLXYPBGQQG-UHFFFAOYSA-N 416.531 5.275 30 40 HKEB O=C(Nc1sc(N/N=C/c2cccs2)nc1-c1cccs1)c1ccco1 15227857 FMSCVRYOKNLHKS-VCHYOVAHSA-N 400.510 5.224 30 40 HKEB COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccccc4o3)cc2)c1O 16215715 GLALJNKPQZXULM-FMCGGJTJSA-N 423.266 5.722 30 40 HKEB [N-]=[N+]=N[C@H]1CCCCCCCCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16385839 GCUGLPUBGZZLTN-WLVMFVESSA-N 403.443 5.864 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 33011192 YNXATOMEBHSUNN-UHFFFAOYSA-N 423.925 5.322 30 40 HKEB C=CCN(C(=O)CCc1cnn(-c2ccccc2)c1)c1nc(-c2ccccc2)cs1 36397976 IWIXNMSRBIBLLV-UHFFFAOYSA-N 414.534 5.148 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)c(C)c1 59459418 MIFPTDCSIOPUFZ-NDENLUEZSA-N 418.474 5.153 30 40 HKEB C/C(=N\c1cc(Cl)ccc1Cl)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643576 WDYUZDCCJVDZHD-VULFUBBASA-N 423.299 6.144 30 40 HKEB CCCCCCCCNCc1cc(Br)ccc1OCc1ccccc1F 101352081 DJOZXRKJVGMGEZ-UHFFFAOYSA-N 422.382 6.617 30 40 HKEB CC(Nc1ccccc1NC1=CC(=O)CC(C)(C)C1)=C1C(=O)c2ccccc2C1=O 101535782 NNLSCLACTGKVEB-UHFFFAOYSA-N 400.478 5.137 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 118936295 FEKAJWKTTGKVJA-VBMIRMFFSA-N 415.662 6.925 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)cc2)cc1 198074690 MDFRIDBNLNXLKE-AZFHEMCLSA-N 414.549 6.960 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)C(=O)N1CC 408851362 BYAALFYAOUNDBI-VDJWSQCXSA-N 412.530 5.334 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408864663 YYXQJLFSJKWLCM-XUJDEEJSSA-N 406.551 5.878 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1cc(C)cc(C)c1 408970072 ZWLOYDVPWJYPJL-HYARGMPZSA-N 400.345 6.026 30 40 HKEB O/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl 409060271 ZBLSYPDUHGTIBD-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)c(C)c2)cc1 409202621 SFJWGLSETSMXNI-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409209856 HXHFPSDBBDLINB-MFKUBSTISA-N 404.466 5.940 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409210604 LSCDEBRWPPRYRH-AFUMVMLFSA-N 424.884 6.149 30 40 HKEB CCc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 409216171 IHRIMAMXEDKDRL-MTDXEUNCSA-N 408.501 6.170 30 40 HKEB CCCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=Nc1ccccc1 409377770 KOLBFXXVGRZEPD-XOLKAKTPSA-N 400.507 5.179 30 40 HKEB Cc1nc(SCC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C#N)c(C)c1C 988789 FRIFDJFRGGZMGF-UHFFFAOYSA-N 414.486 5.113 30 40 HKEB Cc1cc2c(cc1C)N[C@H](c1cc([N+](=O)[O-])ccc1O)C1=C(CC(C)(C)CC1=O)N2 1312665 BCIWCPWQIVCPJO-JOCHJYFZSA-N 407.470 5.139 30 40 HKEB COc1ccc(C(=CC2=CC(=O)C3=C(CCCC3)C2=O)c2ccc(OC)cc2)cc1 1601647 VBNCNCMEVCPSAY-UHFFFAOYSA-N 400.474 5.084 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2246512 JDWRGSMSAAANEU-UHFFFAOYSA-N 418.562 5.588 30 40 HKEB Cc1ccn2c(/N=C/c3cc(Br)ccc3O)c(-c3ccccc3)nc2c1 2282592 PYGAVKDJAHOLCG-YDZHTSKRSA-N 406.283 5.528 30 40 HKEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 6154585 RJDHRNMVNUKYNY-WMWHPZEKSA-N 414.457 5.300 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Cl)cc1Cl)OCO3 18197424 FDSJCLVHXOAJNY-HXUWFJFHSA-N 416.304 5.923 30 40 HKEB CCCCCCCCCCS(=O)(=O)CCCOC(=O)CCCCCCCCC 33354673 IDGRBCYTFGDTAL-UHFFFAOYSA-N 418.684 6.616 30 40 HKEB N#C[C@H](C(=O)c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 95352987 LHZLOAWNBXYQLO-OAHLLOKOSA-N 412.301 6.088 30 40 HKEB CCCCCCCCCCCC(=O)[C@@H](CCCCCCCCCCC)CC(=O)O 100252921 JXXQHXVCIPCYSW-DEOSSOPVSA-N 410.683 8.488 30 40 HKEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102511355 CGFCLQAGMNWYRE-JBCNATCCSA-N 421.855 5.101 30 40 HKEB Cc1ccc(/N=C2/NC3=C4C(=C[C@]5(C)CC(C)(C)C[C@@]4(C5)S2)CC(C)(C)C3)cc1 103750180 NYCJUKCQRIAGFM-FTJBHMTQSA-N 406.639 7.288 30 40 HKEB S=C1SC(=N/c2ccccc2)/C(=N\c2ccccc2)N1c1ccc2ccccc2c1 104311325 GWLUNVUGYRXBEC-LSBUKLHESA-N 423.566 7.138 30 40 HKEB Cc1ccccc1/N=C\c1cc(C)n(-c2ccc(I)cc2)c1C 107750998 YFLWRQAYGPEVOD-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB C=CCOC(=O)c1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 216831753 IFNLMOFOZYYYSR-UHFFFAOYSA-N 405.288 5.078 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777952 XFRXFQXXVUBDGD-INIZCTEOSA-N 412.917 5.076 30 40 HKEB C#CCOc1ccc(Br)cc1/C=N/N(c1ccccc1)c1ccccc1 408813961 GFTGKVSTIUUYLI-JJIBRWJFSA-N 405.295 5.633 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408935266 CLCFOUFJHUFPAY-NUKGNJKYSA-N 424.544 6.671 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccccc1 409079405 JRPGRHHXIGAKKB-MEAKTTDOSA-N 415.606 6.929 30 40 HKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 409085658 CNKKXOJUBAPEBW-RDRPBHBLSA-N 424.544 6.394 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1C 409201622 NCYJEFJYZRWGQU-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1C 409214580 YIJPLRTTZVFDST-HTQRFZLASA-N 409.599 5.800 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409215130 WVDXFQQQHMDFBK-BUVRLJJBSA-N 409.507 5.139 30 40 HKEB C/C(C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O)=C\c1ccco1 409304284 JNDJCZTUPMQBNO-MIYWGGRYSA-N 423.394 5.613 30 40 HKEB C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 685799 HSXODDNQMZYVTH-UHFFFAOYSA-N 421.338 5.787 30 40 HKEB N#Cc1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 1398602 RBXOGBNPLOKCCQ-UHFFFAOYSA-N 402.803 5.795 30 40 HKEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 3413610 CMMZMMVLUHSTQS-UHFFFAOYSA-N 421.334 5.261 30 40 HKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 4024259 RYZOQJGBGALJTK-HQPWQNDLSA-N 403.680 6.501 30 40 HKEB biogenic C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 6167618 UPCQMQBWSIQPAJ-DVECYGJZSA-N 408.567 5.358 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 7089907 CXJQJYIJHWEYQN-PHDVVCPESA-N 418.949 6.705 30 40 HKEB Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1 8386879 HWNWGGDGWZCNIV-ZRDIBKRKSA-N 418.290 6.462 30 40 HKEB FC(F)Oc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 8692136 FABNSSDFUAPVCZ-LIMNOBDPSA-N 423.794 5.281 30 40 HKEB CN1/C(=C\C(=O)c2cc(-c3cccs3)nc3ccccc23)C(C)(C)c2ccccc21 12561242 AHRPOVWQVUXYTO-XYGWBWBKSA-N 410.542 6.458 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(Cl)c(Cl)c1 17205918 QTVQIJUQKAUZDU-UHFFFAOYSA-N 406.720 5.232 30 40 HKEB Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 18255119 HSFKBCGHPOHOPW-ATVHPVEESA-N 401.919 5.123 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccs2)cc1OC 20727452 OQJYOYVSSOOVDU-PEBXRYMYSA-N 422.506 5.020 30 40 HKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3cccc(Oc4ccccc4)c3)n2)c1 31854367 PCAGGMXELFQTTF-UCQKPKSFSA-N 416.462 5.957 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCC#CCN1CCCC1 104082692 XUDXTFZHGBFHMK-UHFFFAOYSA-N 404.683 6.463 30 40 HKEB C=CCc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(OCC)c1O 409003150 RHYUXYRTFULRBR-UHFFFAOYSA-N 410.539 5.556 30 40 HKEB CCCCOc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)O)c2)N(CC)C1=O 409057651 KMUALBDRSLOSMC-MIIQOVFOSA-N 424.522 5.188 30 40 HKEB O=C1C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)c2ccccc21 409140718 IDNMAPDILJXRLL-UHFFFAOYSA-N 411.432 5.322 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]([C@@H](C)/C=C/C(=O)C4CC4)CC[C@@H]23)C[C@H](O)C[C@H]1O 669678880 KKDBQSPKXAUHPH-ASZHSCRSSA-N 410.598 5.299 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)s1)Nc1ccccc1N2 720536 WLYQMEQPDCYZJN-CMJOXMDJSA-N 406.938 6.381 30 40 HKEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1O 1423236 YOORQQWKEIUULV-QFIPXVFZSA-N 400.478 5.150 30 40 HKEB CCCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC 2177391 AFXDWCDHWMSSBD-RAFWRMIMSA-N 424.566 5.670 30 40 HKEB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)n2c(nc3ccccc32)c1C#N 2453836 NQXCSQFURRTPME-UHFFFAOYSA-N 406.898 5.052 30 40 HKEB CCCCCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 2592303 YDMKNGAAQSOLBQ-UHFFFAOYSA-N 410.489 5.459 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 3042708 YYSYWBNYCLUKLP-FOKLQQMPSA-N 407.357 5.007 30 40 HKEB CCN(CC)c1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 3669467 QJLZNBRAXOQWKH-VFCFBJKWSA-N 408.549 6.445 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccccc3C)nc3ccccc23)cc1 4812170 HSSRQQCNLGVGRS-OVVQPSECSA-N 409.537 5.897 30 40 HKEB CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2cccc3ccccc23)C1=O 4889176 DCQBXIAHENZUTI-PPPMLJSVSA-N 407.564 5.536 30 40 HKEB Cc1cccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3cccc(C)c3)C2=O)c1 7166338 QNGJQTCDKBSEGP-ZZZAPRPPSA-N 403.525 6.595 30 40 HKEB N#Cc1ccc(/C=C2\S[C@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 8764073 ZFYNVSMOTSRFCM-QDNAUZDWSA-N 408.482 5.183 30 40 HKEB CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 9064986 OWJRGISWRGETFN-MFKUBSTISA-N 419.937 6.726 30 40 HKEB COc1ccc(/C(=N/Nc2ccccc2)[C@H](C)C(O)(C(F)(F)F)C(F)(F)F)cc1 17002743 KNOFAXSPFPCKBS-XWJZGMEDSA-N 420.353 5.003 30 40 HKEB Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 59475130 RLHGJGJITPEAPQ-ZVHZXABRSA-N 405.910 6.282 30 40 HKEB CCCCCCCc1ccc(-c2nnc(C3CCC(c4ccccc4)CC3)o2)cc1 98045628 BAYFCIGQPGXYJT-UHFFFAOYSA-N 402.582 7.691 30 40 HKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S 113838565 ITFHPAZYSWYRGG-RQZCQDPDSA-N 423.390 5.788 30 40 HKEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612603 INZMUBMFFSUWAC-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB C#CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Br)cc12 226360434 FYVWOMDLDBCTEH-UHFFFAOYSA-N 416.274 5.608 30 40 HKEB CC(C)(C)[C@H]1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 245283691 OFJFTPGESUQDSD-OUFAVVDRSA-N 420.465 5.995 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)o1 408541601 GVKVETAEODOAEJ-FOKLQQMPSA-N 423.266 5.494 30 40 HKEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)nc2ccccc21 408692928 YRSJZXHVACNAGR-AFUMVMLFSA-N 405.933 5.872 30 40 HKEB O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 408847076 MFTOSODXKMIAON-FRJDLFPQSA-N 421.566 5.817 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408937931 JZUKMPAEQXFGOQ-NMVMYQKISA-N 406.529 6.829 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409216182 IMJXDWCVIODLGF-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 729677 CVMSTRYYZJICQN-DCFHFQCYSA-N 422.553 6.881 30 40 HKEB C=CCSc1nc2ccc(NCn3c(=S)sc4ccccc43)cc2s1 1573686 NLKGQIVCKVBYHV-UHFFFAOYSA-N 401.607 6.390 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(C)C(C)=O 4064539 UVYSICYLWPARNT-LSAVBLLPSA-N 415.574 5.142 30 40 HKEB biogenic CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4077689 JRIFTFAFJBMMON-DFHRPNOPSA-N 408.545 6.790 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 4544562 FLVWMFZZOQDSLI-HYARGMPZSA-N 412.470 5.378 30 40 HKEB Oc1ccc(/N=N/c2cccc3ccccc23)cc1/C=N/c1cccc2ccccc12 4557820 PDPXHMLOSZRRLX-AKLOZWKMSA-N 401.469 7.865 30 40 HKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)S2)cc1 5376532 MSDVMZZYUMOKMD-QNGOZBTKSA-N 410.539 5.328 30 40 HKEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(Br)cc1)CC2 5454108 PZZJKIREQZGPMV-UHFFFAOYSA-N 403.283 5.124 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)cc1 5555612 HKNCDTMWMGALIK-FYWRMAATSA-N 404.462 5.808 30 40 HKEB COc1ccc2c3c(ccc2c1)[C@H]1C/C(=C(\OC(C)=O)C(F)(F)F)C(=O)[C@@]1(C)CC3 8615164 YIODTVGTQJKFMM-IYCQIBHJSA-N 418.411 5.237 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 17093372 YWGURXNUCTVTGA-BMGYJQCNSA-N 422.937 6.310 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 20572627 NKPCGAOAWVPOES-RBOOUSOPSA-N 417.509 5.632 30 40 HKEB CCN(CC)[C@H](CNc1oc(COc2ccc(Cl)cc2)nc1C#N)c1ccccc1 32624582 DOXGJXVQJDHPBS-OAQYLSRUSA-N 424.932 5.274 30 40 HKEB Cc1ccc(F)c(S(=O)(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 72305604 LCCOJAJCGOCFTE-AWEZNQCLSA-N 416.314 5.162 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)c1ccc(OC)c(OC)c1 104323247 NNZOMVBERPKKQS-UHFFFAOYSA-N 404.635 8.148 30 40 HKEB C=CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225582779 ADNFNIWTBFFEPP-JWGURIENSA-N 418.518 5.031 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408588486 WMLKPSRIRSMBFB-UHFFFAOYSA-N 417.549 7.471 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 408964040 MNPNFDJAMQBQBH-YZSQISJMSA-N 418.562 6.419 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 409086662 WHPQRYOROOGYBJ-PDGQHHTCSA-N 424.283 5.917 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1 409118735 QSIPJROCHQTEHJ-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409120053 UOYQMTNHRVIGEY-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O 409201292 LFVDGQNXFRLJLH-LICLKQGHSA-N 401.871 5.024 30 40 HKEB Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c(Cl)c1 409214048 XGGPNAPGDMRNRT-JFLMPSFJSA-N 406.312 7.476 30 40 HKEB N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409357773 JVZKCFDHSZIVRB-XSFVSMFZSA-N 402.500 5.148 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 2151115 MNGYOFNIAOWXIT-IOUIBGKWSA-N 424.537 5.512 30 40 HKEB biogenic,in-vitro Cc1ccccc1NC(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C 5006820 HIFVCAIDVINJTR-UHFFFAOYSA-N 403.507 5.060 30 40 HKEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 6046348 MXZBLOZLLKFSQK-QFIPXVFZSA-N 402.881 5.518 30 40 HKEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1OC(F)F 7780461 XKFMSCKITFBSCD-YSURURNPSA-N 403.376 5.017 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2 8926152 OLGSBBOOFRWAAW-RPWUZVMVSA-N 422.864 5.108 30 40 HKEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1 20650597 CJXWUSFJAOKMRV-OZYOTALKSA-N 415.892 5.279 30 40 HKEB CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCC 86020574 SASYSVUEVMOWPL-FOCLMDBBSA-N 422.738 9.708 30 40 HKEB in-vitro N#Cc1ncn(-c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)c1C#N 95945029 PPDBWLCBOFPBSL-UHFFFAOYSA-N 410.487 5.016 30 40 HKEB O=C1/C(=N/Nc2c(Cl)cccc2Cl)C(c2ccccc2)=NN1c1ccccc1 101500338 ZOHSMPVHMJHEDJ-LKUDQCMESA-N 409.276 5.212 30 40 HKEB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 242687255 UBWXUGDQUBIEIZ-DZESEXAHSA-N 406.566 5.673 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 408526212 AAPIVHYSYPUJNQ-WQRHYEAKSA-N 417.939 5.319 30 40 HKEB Clc1ccc(COc2ccc(/C=N/Nc3ccccc3)cc2Br)cc1 408567224 KWUFXSXAHHMAEZ-YDZHTSKRSA-N 415.718 6.128 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1C(C)C 408877486 RWEANVXQTOAXQX-JAIQZWGSSA-N 414.958 5.980 30 40 HKEB O=C1CCCC2=C1C(c1cn(Cc3ccccc3)c3ccccc13)C1=C(CCCC1=O)N2 408899842 WEAXDKKUVPNHRS-UHFFFAOYSA-N 422.528 5.391 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 408908530 FNGQGFLNWMDXHY-ORDNYDNLSA-N 406.595 6.695 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2c(C)cccc2C)N(C)C1=O 408961928 VQDIXWGEMFURPG-AQAUNXFGSA-N 405.567 5.446 30 40 HKEB CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(Cl)c2)C2=C1CCCC2=O 409031847 BQIXZWPGMJIYMD-UHFFFAOYSA-N 406.309 5.132 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 409070542 CBGULNHXDQATEO-LUOAPIJWSA-N 419.378 5.273 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1CC 409075131 UWZNHALINUVDKD-GTFONSFASA-N 402.972 5.803 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 3133658 IWLAIMOYTZAXFV-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB Cc1ccccc1/N=C1\SCCCN1C(=O)COc1c(C)cc(Cl)cc1C 3409268 ZIYMHCNJZYIIKO-LNVKXUELSA-N 402.947 5.297 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1O 3961017 WEOPZYGNYPSDHN-BUVRLJJBSA-N 401.491 5.637 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21 4485641 OKUFHYJDPXWZRQ-CYBMUJFWSA-N 401.919 5.004 30 40 HKEB Cc1ccc(C)c(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)c1 4856122 HOVRJXPIGSVTHJ-CYYJNZCTSA-N 415.606 7.088 30 40 HKEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 9481869 KNLRFWTXBXOGPU-GKVSMKOHSA-N 418.899 6.459 30 40 HKEB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3cccc(C#N)c3)c2c1C 13130630 DILBMMMSIADDLI-UHFFFAOYSA-N 416.531 5.583 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 13893510 KRYNRGNGULVGHD-ISSOZRQYSA-N 405.567 5.689 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccc(Cl)cc1Cl 13915001 CYRMLVPWXVKJHG-PXNMLYILSA-N 406.265 5.287 30 40 HKEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1c(F)cccc1Cl 15016266 TWWMJUBCFUBCJH-ZSOIEALJSA-N 400.784 5.390 30 40 HKEB O=C1/C(=N/Nc2ccc(Oc3ccc(Cl)cc3)cc2)Sc2nc3ccccc3n21 15083397 FWONYBZGNLHAIZ-PLRJNAJWSA-N 420.881 5.654 30 40 HKEB CCN(CC)c1ccc(/N=C2\C(c3ccccc3)=Nn3c2nc2ccccc23)c(C)c1 16678178 VKLYARYLWFEIQO-IMVLJIQESA-N 407.521 5.578 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1 59475133 YUDKFTNXUWRQAM-WGOQTCKBSA-N 403.938 6.967 30 40 HKEB S=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@H](N2CCCCC2)C12CCCCC2 71405901 CBDLBSOSUGQUBV-DRSALWLGSA-N 423.670 6.370 30 40 HKEB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2SCCC#N)o1 95953562 DQHBTCWMWMPHDL-UHFFFAOYSA-N 408.479 5.125 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc(Cl)cc3Cl)C2=C(O)C1 102663486 URCIQXQXDAZPPL-IBGZPJMESA-N 424.327 6.771 30 40 HKEB Cc1cccc(/C=N\c2ccc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O 103893366 JHOYSQJJZDPVRT-QCOHSWCKSA-N 420.512 6.883 30 40 HKEB CC(C)COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c2ccccc12 135949833 MFGHDKMUPMKQFO-ADYJVVQCSA-N 408.548 5.749 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408846777 KWRRGQXMCLMXEQ-CVKSISIWSA-N 418.493 5.584 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl 409009198 ZFYNITSQRRJBAB-CRWXGMKLSA-N 418.921 5.890 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 409209677 HROCFXHWQJUXFZ-VULFUBBASA-N 414.332 7.030 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409214376 XRXJOVFYFMCRGL-WPWMEQJKSA-N 416.521 5.724 30 40 HKEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3c4c(cccc24)CC3)c1O 2062634 UUWMEAOOTFJZRW-JVWAILMASA-N 408.457 5.894 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)cc1 2165908 JSAAPKCVCYEOAQ-AFUMVMLFSA-N 415.449 6.157 30 40 HKEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccc(N2CCCC2=O)cc1 3362337 LRYMWVWVKVXUEC-IZHYLOQSSA-N 421.566 5.204 30 40 HKEB CCCCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@H]1C#Cc1ccccc1 4043718 XFIWTMMYLFKXHK-SSEXGKCCSA-N 414.552 6.816 30 40 HKEB CCCCCCCCCCCCCCCC(=O)n1c(SCC)nc2ccccc21 8385786 ZBPAKWYPHFYXCP-UHFFFAOYSA-N 416.675 8.270 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 8811675 YKCZAGFSLXKWQL-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB C=CCn1c(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)nnc1C1CCCCC1 8853004 NHRVHVNMUVXWLH-INIZCTEOSA-N 424.570 5.228 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 15912143 SMAIAKGYDVRZPQ-ZXVVBBHZSA-N 420.541 7.212 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C\c1ccc(O)c(CN2CCCCC2)c1 31872012 VGGDXIXJVYYRAS-KBNZVFGVSA-N 421.968 6.252 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3cccc(Br)c3)o2)c2ccccc12 226362469 KNDAMTBAVQZZAF-PKNBQFBNSA-N 417.262 5.889 30 40 HKEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408804671 GJQJGAIPXBTAAA-NLULDLIBSA-N 402.494 5.010 30 40 HKEB CCOC(=O)Cn1c(C)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 408811298 BACJSNFCEVHDFG-OVVQPSECSA-N 411.505 5.685 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2C(C)C)cc1 408909071 FXPNOHNAERSJIH-QMSJJHEMSA-N 408.567 6.042 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OC 408910550 XDOGONSAMMIUFV-NVZLDUMVSA-N 408.523 5.192 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 409201651 NIMPOCQZTIHLIZ-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 409203398 WYDOBXMMDGJTRZ-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409207986 ABAFCCYFGURMNQ-MXAYSNPKSA-N 400.356 6.465 30 40 HKEB C[C@H]1CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C[C@H](C)O1 704007 PYGNXTJURVVWHJ-HOTGVXAUSA-N 423.900 5.059 30 40 HKEB N#Cc1c(SCc2ccc(Cl)cc2Cl)sc(C(=O)c2ccccc2)c1N 2576490 LCFFYASLEIWYKN-UHFFFAOYSA-N 419.358 6.032 30 40 HKEB Clc1ccc(CO/N=C/c2cc3c(cc2Br)OCO3)c(Cl)c1 4014006 ADVGKTUAWDAOSL-KPSZGOFPSA-N 403.059 5.035 30 40 HKEB O=C(C/C=N/OCc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 4084104 OUEZFPJUYNTJOW-AERZKKPOSA-N 407.080 5.798 30 40 HKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cc(Cl)cc(Cl)c1 4740330 VROFIPDBTRJPLS-CNFVUWAHSA-N 401.337 6.309 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Cl 5296262 UKVGBNUECGPPDL-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1)C1CCCCC1 8385882 ROQKCMZTVHXMTC-PZLKWIMZSA-N 424.929 5.192 30 40 HKEB Cc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)cs2)c(C)n1-c1ccccc1Cl 12559290 KASVDEKEMVQXSE-BRJLIKDPSA-N 424.932 6.456 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 14408809 FJKFJIYAPSBQJC-LSHDLFTRSA-N 420.303 5.228 30 40 HKEB CCCCCCCCCCCCCCCCNCc1ccc(OCCOC)cc1 100023653 SMHHDTPOICSDLU-UHFFFAOYSA-N 405.667 7.283 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1Cl 102044444 VJJQYDMOPIQGRV-IBGZPJMESA-N 419.912 5.020 30 40 HKEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102861289 ZYJPYFHTSJJTKR-MRJHHRETSA-N 403.865 5.275 30 40 HKEB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253528844 GQZPOAUVKZAMQR-JBWAWTCQSA-N 406.610 7.081 30 40 HKEB O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccccc1 408914659 WXJVHXMAKIWWJR-AJGXWLHTSA-N 420.537 6.644 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3C)c2C)c1 408968447 YWRRTVUSUJDJFW-AFUMVMLFSA-N 404.466 5.028 30 40 HKEB CCOc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccccc1 408980986 UQZBDXACPQXDKL-UHFFFAOYSA-N 421.500 5.847 30 40 HKEB CCc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2Br)cc1 409102260 YIAYBXRYCULVIG-MDZDMXLPSA-N 409.121 5.583 30 40 HKEB Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 409211612 MBVWCAYZUKXPPD-ROTLSHHCSA-N 404.724 7.285 30 40 HKEB Cc1cc(C)c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1 409299902 SWDAEVWMGPYHSQ-UHFFFAOYSA-N 407.473 5.617 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409385951 OVYBNPHVBJAODK-FRQJIFLKSA-N 407.466 5.830 30 40 HKEB CCOc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409400855 BDXRZTAAZKEZPR-UHFFFAOYSA-N 419.484 5.498 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 1035421 LKCQAJVUCPAKCK-JOCHJYFZSA-N 417.940 6.035 30 40 HKEB CCCCCCCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 1833646 SRNCQJCOUAFOFT-SANMLTNESA-N 424.654 6.894 30 40 HKEB C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3ccc(Br)cc3)cc21 4424921 BWGFPKGDSWBFHP-UHFFFAOYSA-N 414.299 5.448 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1OCC 4478041 WGHUYNPWKUPMEZ-UYRXBGFRSA-N 414.914 5.195 30 40 HKEB C=CCNc1nc(SCc2ccc(C)cc2)nc2c1sc1nc(C)cc(C)c12 5698740 TUPFTIIPSHCZLT-UHFFFAOYSA-N 406.580 6.055 30 40 HKEB CCc1cc2c(=O)[nH]c(/C(=C/c3ccc(C#N)cc3)c3ccc(OC)cc3)nc2s1 6908045 CDJZQLQBFJEMRR-UDWIEESQSA-N 413.502 5.016 30 40 HKEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3COc3ccccc3)n2)cc1 7780551 XPOSKVQNYFVQQJ-UHFFFAOYSA-N 411.486 5.513 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(C)cc4)o3)o2)cc1 12418953 PKQMNHQBCHUKMG-UHFFFAOYSA-N 415.449 5.314 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 18196297 RHXYBJSTRBUQKK-YPMLDQLKSA-N 417.321 5.062 30 40 HKEB CCCCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCCCC 97950360 LKNFAVXXKZUEEX-UHFFFAOYSA-N 407.602 6.847 30 40 HKEB CCCCCCC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 103614297 NNTAPLLAYFCZGP-FSJBWODESA-N 410.465 5.183 30 40 HKEB O=C(COc1c(Cl)cc(/C=N\O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 106682482 WSRCCHCKFOAVBX-IOXNKQMXSA-N 408.068 5.126 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)cc1 260572400 VDYNNPOCJCAEGW-VYZAVGSRSA-N 419.594 5.917 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 408526901 ACHZHAKIGNCTOW-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)S2)c1 408720825 DYFMKYAPFVMDCN-APSNUPSMSA-N 422.293 5.410 30 40 HKEB CSc1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 408748728 GWSVCYQLZBTQOU-XNTDXEJSSA-N 405.342 5.063 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 408862415 YPCWJGVXBHHBBA-DCXNZSQRSA-N 415.562 6.351 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1OC 408905801 DZIMTEKNAPJGMD-LPCFMYKTSA-N 422.550 5.501 30 40 HKEB Clc1cccc(Cl)c1COc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1 408990382 XHDRBIHFNCUEGS-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB FC(F)(F)c1cccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409033447 FGHYVMINAGGJIT-IOXBOXJCSA-N 422.222 5.679 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409209464 BTNPVWZHDZBDCK-OEAKJJBVSA-N 421.409 5.753 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)o1 409210792 GTBJGRHNYXYMKK-KGENOOAVSA-N 400.459 5.097 30 40 HKEB C=C(C)[C@H]1C[C@@H]2c3ccccc3CCC[C@@H]2O[C@@H]1c1cccc(F)c1OCC(=O)O 2037874994 HGOSDPFFFSLCFT-ZBJYJBBSSA-N 410.485 5.432 30 40 HKEB COc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 1435688 KHUZDCGTIPIIDR-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1c(-c2ccccc2)n(C)c2ccccc21 3878739 XKNDOQYVKIKTTR-XZDHIHRUSA-N 405.562 5.137 30 40 HKEB CC(C)(C)c1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 4746679 IXASUCLJJRNPFC-VUTHCHCSSA-N 414.593 7.028 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)cc1 5003040 HHRGCTXEENQSGY-HSHHTGOPSA-N 401.944 5.334 30 40 HKEB C=CCOc1c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cccc1OC 6044653 FRBYIFIAPAETFM-UHFFFAOYSA-N 416.546 6.457 30 40 HKEB CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccccc1-2 8453161 LUOKSUPZCPMKRH-FQEVSTJZSA-N 407.543 5.499 30 40 HKEB N#Cc1c(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c2c1CCCC2 8763236 CQXIUYAMKBJBDU-UHFFFAOYSA-N 424.491 6.810 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)c2C#N)C1 10372898 YIPCXKWDSJYPIQ-CQSZACIVSA-N 409.511 5.103 30 40 HKEB COCc1cc(C)nc(N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C#N 13286037 OGSGPVQWYGYXQC-RAWMCFOBSA-N 414.387 5.133 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1C 15018393 FPNQBOXZIXDCLC-BTRCZGFISA-N 416.502 5.523 30 40 HKEB COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 58314796 MDLWCTBPRFZONJ-ZRDIBKRKSA-N 420.534 5.658 30 40 HKEB COc1ccc(N/C=C/c2nc(C)c(C#N)c(-c3ccc(Cl)cc3)c2C#N)cc1 100332669 IIOWIQUJCUFXCR-VAWYXSNFSA-N 400.869 5.545 30 40 HKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 408749304 NMRKYWLNPXLPDX-GZTJUZNOSA-N 401.329 5.464 30 40 HKEB S=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)Nc1ccccc1 408863378 NQWFRZJAXQTSSF-YZSQISJMSA-N 411.530 5.739 30 40 HKEB O=[N+]([O-])c1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Cl 409093091 XHXVAVOYRGIWNV-DHRITJCHSA-N 410.901 6.172 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3cccc([N+](=O)[O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1 409353101 GQUDKNUZAMABDM-LQKURTRISA-N 421.456 6.761 30 40 HKEB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 2269940 JCLLHRGLIFASKQ-KRWDZBQOSA-N 410.583 6.058 30 40 HKEB Cc1cc2nc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C 3085027 FRIDZNWSCRRJHD-WYMPLXKRSA-N 405.841 6.424 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 3115343 IRFIGARAEAHQBN-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 4615615 PNMQXSJFYRIGPZ-TWUWCHPWSA-N 406.529 6.286 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 5200328 DOFJEHVXUDMMPE-AOYPEHQESA-N 412.489 5.502 30 40 HKEB Cc1ccc(Sc2c([C@H](O)C#Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 5342239 OUYFAHFUBMAXDZ-HSZRJFAPSA-N 410.542 5.632 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(F)cc1)OCO4 5345592 OOTWDQVISWAPCK-LJQANCHMSA-N 417.480 5.194 30 40 HKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)cc1 6050055 UXFGAGOSGBTWDY-UHFFFAOYSA-N 413.974 6.112 30 40 HKEB Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/c2cccc(Cl)c2)cc1 6142600 GRSSQFXWSSCONX-DHRITJCHSA-N 419.937 5.867 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1C#N 8812019 MTVMGDLNWJNRPR-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB Cn1c(C(C#N)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)nc2ccccc21 12566611 PVPNSZORJOZBJH-UHFFFAOYSA-N 420.343 6.127 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1)c1cccc(C)c1C 12804830 RFCXCFMAIJTCMB-VAWYXSNFSA-N 416.502 6.087 30 40 HKEB CSc1ccc(NC(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 20151184 KPMACNRAFZAVLJ-UHFFFAOYSA-N 419.554 5.069 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=N/c1ccc(/N=C2\C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100365481 SCDLLHGZJNONCR-LTHAXKPDSA-N 404.554 5.882 30 40 HKEB C=CCn1cc(-c2ccc(Br)cc2)s/c1=N/c1ccc(OCC)cc1 103618324 FSTFYZMTMPOTMN-LSDHQDQOSA-N 415.356 5.796 30 40 HKEB O=C1/C(=C/c2cccc(O)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 408727580 UJGFKOGDVAQCAD-YWROOUKNSA-N 400.503 5.065 30 40 HKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 408992235 SMRMBNASAFNQJN-BTRCZGFISA-N 414.486 5.532 30 40 HKEB CCn1c(C)cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c1C 409065161 GRZFRAHJMAMBDN-WMOWQXFYSA-N 413.631 6.063 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc1 409118192 PDFMZQFQMWKYSP-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409202599 RXRCTEIZHLAWIE-WGOQTCKBSA-N 418.493 5.170 30 40 HKEB COc1ccccc1C(=O)Oc1ccc(C)cc1/C=C1\Sc2ccccc2C1=O 1260208 ALYYNELROQSOMW-HMAPJEAMSA-N 402.471 5.552 30 40 HKEB CC(C)(C)c1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1 2239978 VZTKAVIWVWQKCW-UHFFFAOYSA-N 418.631 7.150 30 40 HKEB CCCCCCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 2291825 YWRLLHYLFPLZDL-UHFFFAOYSA-N 424.516 5.849 30 40 HKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2742576 WAQRKCMFBXWWFB-LLVKDONJSA-N 411.914 5.614 30 40 HKEB Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)oc2cc1C 3090308 HIJYUHKSROYNDG-OPEKNORGSA-N 411.288 6.875 30 40 HKEB Cc1ccn2c(/C=N/OC(=O)c3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1 4024640 KKFPUKAYUQSHKC-DHRITJCHSA-N 407.832 5.293 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 4899086 PMFKVTALUGFERM-NNLCKWJRSA-N 405.498 5.223 30 40 HKEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3c2)n(C[C@@H]2CCCO2)c1C 8531750 BPYUVIBMCDNEPR-FQEVSTJZSA-N 419.550 5.040 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)c1 9311478 AEDDBWXUSGZKDH-UDWIEESQSA-N 418.474 5.153 30 40 HKEB CCc1ccc(O)c(/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c1 13574319 HDONNSKTZIXDNM-JLUADYMRSA-N 424.298 6.589 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 15224301 DPNXZWNATNDIKH-FWUKABICSA-N 423.541 6.533 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 15231284 XARPXDXOKALRAW-TURZUDJPSA-N 422.484 6.136 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 97940014 ICKGEVXARDSLSW-FQEVSTJZSA-N 423.597 6.661 30 40 HKEB C(=N/n1c(-c2cccs2)cs/c1=N/Cc1ccccc1)\c1c[nH]c2ccccc12 103460733 IPONZCAOUUMMDK-PHZOILHFSA-N 414.559 5.743 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@@H](C(C)(C)C)C/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 245297255 RWWPLANHRNFNMR-NCKXYRMBSA-N 414.633 8.426 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 409212762 QYDVEXWJTUDHQN-CVKSISIWSA-N 403.478 5.730 30 40 HKEB N#CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 409375894 QNMNHYYJSWGZFL-ODLFYWEKSA-N 407.882 5.055 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc4ccccc34)c2)cc1C 409387504 RFLGJBYWPBOXOE-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB COc1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1OC 727153 KDFHQHHEQAHSPN-SANMLTNESA-N 413.517 6.167 30 40 HKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 856590 QBSJFKJZZFWLNK-WAIKUNEKSA-N 406.938 6.381 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(Sc3ccccc3)nc12 940066 LWSBXHKIGPJIOL-ZVHZXABRSA-N 405.910 5.558 30 40 HKEB COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 1101723 JFVNGLBPVMODMQ-LGHZWSLZSA-N 415.474 5.061 30 40 HKEB CCCCCCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)o2)cc1 1790048 WHZNRHIYHUAHEW-UHFFFAOYSA-N 408.454 5.626 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(-c3ccccc3)cc2)c2ccccc21 2429565 AJDCDAXBECTZAC-NDEPHWFRSA-N 417.533 7.220 30 40 HKEB CC[C@@H]1CCc2c(sc(NC(=O)c3sc4cc(C)ccc4c3Cl)c2C#N)C1 2740755 HIZYWJJNDYLGKM-GFCCVEGCSA-N 414.983 6.564 30 40 HKEB N#Cc1c(Nc2cccc(Cl)c2)sc(C(=O)C23CC4CC(CC(C4)C2)C3)c1N 4652843 KYUDDKBMHQCBJC-UHFFFAOYSA-N 411.958 5.998 30 40 HKEB Fc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)cc1 4975310 VWIKDALXKVPLPU-AFUMVMLFSA-N 403.482 5.974 30 40 HKEB C=CCN(Cc1ccc(Br)s1)c1ncnc2sc3c(c12)CCC3 6550951 OKJZOLGLWZHQHN-UHFFFAOYSA-N 406.374 5.197 30 40 HKEB CN1/C(=C\C=N\NC(=S)Nc2ccccc2C(F)(F)F)C(C)(C)c2ccccc21 7783782 CJIRUSRKYQWILH-FECRQVCQSA-N 418.488 5.289 30 40 HKEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(F)cc1 8193349 FGGPNRYERNPXFS-UHFFFAOYSA-N 411.480 5.630 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)c12 8229803 WRTVBEUDOIILBU-JLHYYAGUSA-N 409.411 5.698 30 40 HKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 9264154 SXBIGKKJDZZEBM-SANMLTNESA-N 408.501 5.816 30 40 HKEB O=C(COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)OCc1ccccc1 9547077 QKGQMWRBHCFEFF-UUYOSTAYSA-N 420.848 5.078 30 40 HKEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 12436447 XJVIZTHHRXOUAH-HMAPJEAMSA-N 403.865 5.572 30 40 HKEB Cc1ccc(N[P@@](=O)(Nc2ccccc2)C(F)(F)C(F)(F)C(F)(F)F)cc1 12560527 NILQHQACEVAQHN-MHZLTWQESA-N 414.261 6.503 30 40 HKEB CCOc1ccc(/C=C(/C(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1 32712200 VHADSPINOLMBKD-HKWRFOASSA-N 414.417 5.558 30 40 HKEB N#Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59249497 KWCIVZVZZZEBFH-SSDVNMTOSA-N 417.715 6.469 30 40 HKEB C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 65742912 LFNAJBFFWWMSEW-HNFKANRHSA-N 416.646 5.540 30 40 HKEB in-vitro FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CSCc1ccccc1 103623586 OOSWWPHKVNFPLR-UHFFFAOYSA-N 406.260 6.023 30 40 HKEB C#CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12 226360132 PKHJTTDRSBHVRJ-UHFFFAOYSA-N 400.659 5.108 30 40 HKEB COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408645574 ACKNUDYLRJQZBO-NTCAYCPXSA-N 401.893 6.248 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1ccc(Cl)cc1 409088034 DQDZVILMDAKUGE-RSXNERHXSA-N 416.930 5.371 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc(Cl)c1 409112584 FABPFKCCJFZCDH-UHFFFAOYSA-N 423.940 6.277 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409119562 SVTOFKWHXAAAAK-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 409208327 AQDGWKIJNJGXQJ-JVWAILMASA-N 407.941 6.939 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 409218213 ZHSNWTIWWJZRHI-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB COc1cccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)c1 871589 PYDZRMWLMKXOIO-UHFFFAOYSA-N 419.506 5.058 30 40 HKEB C=CCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c(OCC=C)c1 2081059 KOGDNUWQKYKESM-KQWNVCNZSA-N 411.457 5.314 30 40 HKEB FC(F)(F)c1ccc(C(=NCc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 3066035 KEILFXINJZFQMW-UHFFFAOYSA-N 407.357 6.762 30 40 HKEB C(=N/c1ccc2oc(-c3ccccc3)nc2c1)\c1ccc(OCc2ccccc2)cc1 3088217 NZNPNLHCDXREDX-MTDXEUNCSA-N 404.469 6.824 30 40 HKEB CC1(C)C/C(=N\Nc2ccccc2)c2cc(-c3ccccc3)n(-c3ccccc3)c2C1 4834390 NVTYZUYCZQFBQI-QCWLDUFUSA-N 405.545 6.933 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 5527266 KRTQPLVXSFFPDU-PCLIKHOPSA-N 415.518 5.940 30 40 HKEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3c(C)oc4ccc(O)cc34)o2)cc1 5546270 UABPIGZSZWVORD-PKNBQFBNSA-N 416.429 5.780 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Oc3ccccc3)cc2)NC(=S)N1 5787868 MRNYJSSPXZGHHV-QFIPXVFZSA-N 400.503 5.155 30 40 HKEB CC[C@H]1CS/C(=N\c2ccccc2C)N1C(=O)[C@H](C)Oc1ccc(Cl)cc1 6584970 KRIMDSIDXSWQRU-PYLPYTHRSA-N 402.947 5.457 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1ccccc1OCc1cccc2ccccc12 6890636 AYUBTZOPSCRSLA-WGOQTCKBSA-N 409.514 6.475 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc(Cl)c1 17017179 CDTJASVPGPORPJ-HXUWFJFHSA-N 420.900 5.237 30 40 HKEB CN(C)c1ccc(/C=C\C(=O)c2ccc(C(=O)/C=C/c3ccc(N(C)C)cc3)cc2)cc1 17104985 SEIJJKISAJYNJX-KFSYKRRRSA-N 424.544 5.611 30 40 HKEB C=CCSc1nnc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 24832752 SAEBSCYEONQBDJ-UHFFFAOYSA-N 402.570 5.315 30 40 HKEB N#Cc1c(Cl)nsc1N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 54124611 FDGMFAZPTFSACY-UHFFFAOYSA-N 400.718 5.074 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](O)C(C)(C)O 263636326 FCKJYANJHNLEEP-FQLIGXDVSA-N 416.646 5.705 30 40 HKEB CCn1c(N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)nc2ccccc21 408692775 VBPBRDYFNNQRRF-LQKURTRISA-N 418.504 5.377 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(Br)cc1 408857767 WLZUMJHYYBPLOM-MTJSOVHGSA-N 418.132 6.061 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O 408867806 NVVQFFLHYWLKOH-MFOYZWKCSA-N 407.322 5.592 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)nc1 408880365 HMNYSOBUCIRHOZ-AUEPDCJTSA-N 417.252 5.322 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)N1CC 408928349 AFVGEXMWICBESR-DZHGSHHNSA-N 422.381 5.713 30 40 HKEB CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 409062965 DRGLZBNUOALDSJ-WGOQTCKBSA-N 421.562 6.496 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br 409209316 FPNCKJRJORGNKT-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)cc1 1531296806 YJQCBRZLROVOJW-VTGBELTLSA-N 418.722 5.208 30 40 HKEB Cc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1C 715884 IDPHXDRGXHTJAY-UHFFFAOYSA-N 417.534 5.440 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1 1077495 PTWJTSZVMVQGEI-BCHFMIIMSA-N 414.936 6.628 30 40 HKEB C=C(C)Cn1c(SCCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 2361615 BTIYVCGFGNLGRR-UHFFFAOYSA-N 416.590 5.655 30 40 HKEB O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1cccc(Cl)c1 2400649 HZNZLGWVSUWMBF-QHCPKHFHSA-N 400.865 6.570 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C#N)C1 4646514 RSGWPMGXHPCXAA-WDEREUQCSA-N 409.338 5.457 30 40 HKEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 4836783 ZYYZCERPMVJWKX-FQEVSTJZSA-N 423.605 5.340 30 40 HKEB O=S(=O)(Nc1ccccc1Cl)c1ccc(/N=C/c2ccccc2Cl)cc1 7778056 YWNXYLXUMZVYCT-LPYMAVHISA-N 405.306 5.545 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 8811990 ZSAZXNHRFCUBFW-STBIYBPSSA-N 414.936 6.504 30 40 HKEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 9157925 TXSLHSGXRHRLRW-JOCHJYFZSA-N 417.896 5.345 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])cc1 13427208 NGEPEOLOPTZONG-RGVLZGJSSA-N 417.288 5.317 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C[C@@H]1CC=C(C)C1(C)C 18250029 UNOQSTZPCVOPNP-PGRDOPGGSA-N 420.597 6.249 30 40 HKEB biogenic CCCC(CC)(CC)N1CN(C(CC)(CC)CCC)C[P+](C)(c2ccccc2)C1 19322939 QCHJCBHRLKZPCG-UHFFFAOYSA-N 419.658 7.167 30 40 HKEB Cc1cc(/N=C/c2cc(Br)ccc2O)cc2nc(-c3ccccc3)oc12 102414081 WPECRDIYQYTJKU-FSJBWODESA-N 407.267 6.022 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 408684286 OQGPOXFNDSNSQF-UHFFFAOYSA-N 422.613 7.117 30 40 HKEB Cc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 408741229 ONNHAPRMDWVJSN-PXLXIMEGSA-N 416.550 5.052 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409112967 CYRIZMFLJMTFBI-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409212588 QUQISDIIVKIRLE-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC(C)(C)c1ccc(-c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 2407415 DYPVTXBSYVNRQF-UHFFFAOYSA-N 420.944 5.491 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccc(Cl)cc1Cl 3211608 CEANNVQRFWYFRL-UHFFFAOYSA-N 402.346 6.619 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1 4545637 NXHWRECWJHFCIS-ZVHZXABRSA-N 406.507 5.257 30 40 HKEB Cc1cc(C)c2nc3c(cc2c1)CN(C1CCC(C)CC1)/C(=N\Cc1ccco1)S3 4926870 CAZUZVLDMOMRML-OCEACIFDSA-N 419.594 6.487 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CCCCC1 6658493 BFYFWQHHLYQYQO-LJQANCHMSA-N 401.337 6.476 30 40 HKEB N#Cc1cccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)c1 9196963 ARVDATKAJNIVQA-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 13408682 KOBCGCROWPFVMN-LIDUXKKMSA-N 402.575 5.260 30 40 HKEB CCN(CC)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2Nc2ccccc2)cc1 16678506 BXHVMJKGBLNZEW-RWEWTDSWSA-N 411.509 5.078 30 40 HKEB Cc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 16740053 AYHWCRGGRWJGMP-HLMATHERSA-N 413.502 5.178 30 40 HKEB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 17093697 XTYYQDFJEOHGAX-XKOZXHHJSA-N 423.607 5.394 30 40 HKEB COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1OC 20196631 FLUSCSJVTCVXDE-OGLMXYFKSA-N 413.521 5.139 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 21722415 CYXJNQSIHSBBII-XMMPIXPASA-N 404.510 5.248 30 40 HKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 36614426 LYWNEJOPIMJYIT-DGBHFGJASA-N 414.589 6.937 30 40 HKEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(F)c1 59105948 OOOIFEGSNMRFDC-RGVLZGJSSA-N 409.461 5.264 30 40 HKEB CCCCCCCCCCCCCCCCCCNc1nc2ccccc2s1 104351231 CSNZIPQIERMZTK-UHFFFAOYSA-N 402.692 8.970 30 40 HKEB Cc1ccc(OCc2nc(SCc3cccc4ccccc34)nc(N)c2C#N)cc1 223687979 UKVHDRBSKGAJOT-UHFFFAOYSA-N 412.518 5.263 30 40 HKEB C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 409033340 FBVHHHREOXQFMN-XSFVSMFZSA-N 423.438 5.793 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409100581 UZVDLDYCLHDMRF-DHRITJCHSA-N 413.355 5.225 30 40 HKEB CC(=O)Oc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 728478 BPTHWEQPIPUWQX-XMMPIXPASA-N 411.501 5.966 30 40 HKEB O=C(Oc1ccco1)c1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 973840 ZEPXGVNMJCYSJW-CVKSISIWSA-N 424.412 5.763 30 40 HKEB O=C(Nc1ccc(C#Cc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 3845781 KQXMMMRDRIZMKR-UHFFFAOYSA-N 416.480 5.591 30 40 HKEB biogenic Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(F)cc2)c1Sc1ccccc1 4013249 AEZUHFMRPXALCB-WGOQTCKBSA-N 417.509 5.928 30 40 HKEB CCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 4815340 KMTDKRASUWVGDR-UHFFFAOYSA-N 410.510 5.392 30 40 HKEB O=C1/C(=N/N(Cc2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1 5259664 GCVLHTVLBDDPDP-ORIPQNMZSA-N 417.512 5.644 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1O 5345423 BVKVUDBPPOHFTG-QFIPXVFZSA-N 405.885 5.240 30 40 HKEB COc1ccccc1O/C(=C/c1ccc(Br)cc1)C(=O)c1ccccc1 5671253 HXNTZOOTENGHTC-RCCKNPSSSA-N 409.279 5.761 30 40 HKEB CCCOc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(OCCC)c1 6779038 WBCXURBBMPBPGH-DHRITJCHSA-N 414.855 6.382 30 40 HKEB N#Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(Br)c1 12933574 UUEYUSMWSUJIAT-UHFFFAOYSA-N 405.251 5.401 30 40 HKEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(SC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 30729038 AJPSTLTYGUDWEO-FHSUWLEUSA-N 418.599 5.448 30 40 HKEB biogenic,in-vitro COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@@]3(C)CC[C@@H]21 36614413 HEISBLGPHCGBTI-IHUJNQPGSA-N 406.953 6.467 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(C(=O)O)c1 59303310 KVCGOQPCWPLSNH-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1 72229002 VJCQBOYQANNRSS-RMORIDSASA-N 407.326 6.053 30 40 HKEB O=c1[nH]c2ccc(/N=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)cc2[nH]1 100384209 MEGJGZVTFGGDMB-MZJWZYIUSA-N 411.436 5.478 30 40 HKEB CCCCCCCCCCCC[N+](C)(C)CCOCCOCCSCCCC 100923976 YPERECZPDDQKTD-UHFFFAOYSA-N 418.752 6.550 30 40 HKEB C=C[C@@H](O)c1ccc2ccccc2c1-c1c([C@H](O)c2ccccc2)ccc2ccccc12 207071070 LDGBPEULTMBSIR-POURPWNDSA-N 416.520 6.961 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1C1CCCCC1 223663097 PJQCVINFUQHMTJ-UHFFFAOYSA-N 403.349 5.033 30 40 HKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccccc1 408739226 UJKGGOCRYHNPMN-FYJGNVAPSA-N 400.263 5.449 30 40 HKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1O 408939948 NHHPBRSEIRFQFY-MSMABYQDSA-N 410.517 6.286 30 40 HKEB CCCCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408968297 YANBWMJFTJYUSZ-WPWMEQJKSA-N 417.505 6.066 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C 409210312 JIIIQJRKGDFBOK-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)sc2c1 1883464 NWQXEQPXUPRMCX-FSJBWODESA-N 423.335 6.490 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 2055184 PQJYIXZOKKKYIZ-HSZRJFAPSA-N 409.570 5.586 30 40 HKEB C=CCSc1nc(Sc2ccc(Cl)cc2)c2sc3ccccc3c2n1 4092646 MXWNPBZNUBNYHW-UHFFFAOYSA-N 400.981 6.927 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc12 4116327 SZHDJIIWZSYFIW-AMOXOZGRSA-N 412.489 5.071 30 40 HKEB C=CCN(C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@H](C)CCc1ccccc1 4863279 KQFNCGWMLBAQJB-LXFBAYGMSA-N 415.577 5.808 30 40 HKEB N#CCCn1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c2ccccc21 9222191 ICVFSDXFSUFPQW-UHFFFAOYSA-N 423.847 5.597 30 40 HKEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccc(Cl)c2Cl)cc1 12581215 TVNULTQPSAGNTE-YYADALCUSA-N 406.272 5.472 30 40 HKEB N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1N1CCCCC1 13590163 DAYZEZATCYOMGS-UHFFFAOYSA-N 418.338 6.040 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2sccc2C)C(=O)N1c1ccccc1C 19827756 GXQUWDGMEVXGFV-PZUCIDFCSA-N 404.560 6.482 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S 33321705 WWXOTBPVXREBAE-ZHZULCJRSA-N 411.548 5.052 30 40 HKEB Cc1cc(OCC(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)c1C#N 95117462 ZBNRDIRDJZERES-UHFFFAOYSA-N 408.910 5.469 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=N\c1ccc(/N=C2/C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100365484 SCDLLHGZJNONCR-AFBSGEGJSA-N 404.554 5.882 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 101016021 QPVJLXZRHXGPKA-FXBPSFAMSA-N 417.640 6.570 30 40 HKEB O=C(Nc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 102417254 OZNQFOXJPJYLEQ-ZMOGYAJESA-N 419.824 5.997 30 40 HKEB CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525786 NHWNIXLZCWGNAE-UHFFFAOYSA-N 424.338 8.011 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 118936294 FEKAJWKTTGKVJA-RSNDJRMYSA-N 415.662 6.925 30 40 HKEB C=CCOc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225868424 SULYFAHAMNOYTC-UHFFFAOYSA-N 415.002 6.137 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 250574727 NJWYLVQOSGELIN-FAUZKNKFSA-N 420.637 6.776 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 408529491 HJMUGEGMPDYZPD-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB Brc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 408854896 KKVULLPZVYVXEL-NDENLUEZSA-N 404.105 5.753 30 40 HKEB Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O 408910347 KFGAPDYEUBLYIR-JJDFSSEZSA-N 404.560 6.422 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 408913792 NMWFCLYVXJYKOR-NFEGURHZSA-N 410.539 5.416 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1C1CCCCC1 408915242 XLLBMTTURNUJAU-OBUXZSPNSA-N 420.578 6.194 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2O)C(=O)N1C1CCCCC1 408915995 SUEIPEWOOZSKII-FTJNEJEMSA-N 406.551 5.891 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1O 408937082 MJMOPGUMJRJWAW-JHMSPCBRSA-N 411.461 5.878 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 408939555 SVPVYBGMUTVUCY-MRLLXURMSA-N 406.573 7.696 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409065625 JSQNOPOLOJQBMW-QRVIBDJDSA-N 416.771 7.313 30 40 HKEB COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 409167918 OZPJWAULDSHAMS-LZYBPNLTSA-N 419.289 5.110 30 40 HKEB CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1OC 409388143 ULVZOXFVSKULTG-AFUMVMLFSA-N 402.406 5.829 30 40 HKEB Clc1cccc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)c1 643568884 NDNIUUVUDRCAEA-UHFFFAOYSA-N 421.928 6.148 30 40 HKEB CCCCCCCCOc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 725325949 LMEXMLCRGNWUBG-UHFFFAOYSA-N 411.189 5.488 30 40 HKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1cccs1)CCCC2 705944 ZEEKZKMSAKUJHX-UHFFFAOYSA-N 420.559 5.396 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O 2427172 FSHGFSHDDJLAMI-GRSHGNNSSA-N 417.313 6.559 30 40 HKEB O=C(Oc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 4118357 MGAPAGYMJOOPLV-JLHYYAGUSA-N 407.809 5.364 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 4554198 YNBSOCWRJULGQW-IXORVSQSSA-N 422.525 6.024 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl 6149625 VHPJJTRGPHPXDW-OAQYLSRUSA-N 411.929 5.807 30 40 HKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1Cl 6233200 IJMRKZPBONKXLJ-AWEZNQCLSA-N 416.974 5.750 30 40 HKEB CCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 6595625 PTERBKJUKXQHGO-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1nc(-c3ccc(Cl)cc3)nc1N2 7736263 ILIHBEZKTMFHBS-LJQANCHMSA-N 411.292 5.274 30 40 HKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 9145677 WKSGGJPTNUSBSC-UHFFFAOYSA-N 420.763 5.839 30 40 HKEB C=CCn1c2ccccc2c2nnc(SCn3c(=S)sc4ccccc43)nc21 9667821 ABRVQIWVHZTKBE-UHFFFAOYSA-N 421.576 5.661 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21 12524361 QMGMBUOMGVPKSK-YTFSRNRJSA-N 407.498 5.032 30 40 HKEB Cc1ccc(C(=O)C/C(=N/Nc2nc(-c3ccc(F)cc3)cs2)C(F)(F)F)cc1 16949162 YBHWMWMTDKVUOQ-ITYLOYPMSA-N 421.419 5.861 30 40 HKEB CC1(C)CCC[C@@](C)(C#CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 19938808 AUSVTMCFJKIUCU-NDEPHWFRSA-N 416.609 5.135 30 40 HKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NC[C@@H](c1ccco1)N1CCCC1 27562225 FQJJPSMJSTWZKE-QFIPXVFZSA-N 412.493 5.132 30 40 HKEB Cc1cccc2c1NC(=O)/C2=N\Nc1nc(-c2ccc(Cl)cc2)c2ccccc2n1 46085401 RMZDBGFRBOELGJ-UHFFFAOYSA-N 413.868 5.027 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 59224422 QWRHEYMNXVPCKQ-CHHVJCJISA-N 408.266 5.102 30 40 HKEB CCCCCCCCOc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 98006775 DKJKPCUJOWXVNL-UHFFFAOYSA-N 413.470 5.374 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 104125491 URTGYLVCXGSGCH-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H](C)c1ccc(OC)cc1 104186142 NESTUYGZJXVPCU-VWLOTQADSA-N 404.703 8.314 30 40 HKEB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)/C=C/c3ccccc3)CC[C@@H]12 118931419 JNNJOMNLPDCYKP-MFUPKGIFSA-N 406.610 6.289 30 40 HKEB ON=C(Nc1ccc(Cl)c(Cl)c1)C(=NO)Nc1ccc(Cl)c(Cl)c1 408720908 ASEBHGOHFBPSGO-UHFFFAOYSA-N 408.072 5.400 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 408744280 XQRZHSNXPBPVJQ-YZSQISJMSA-N 403.526 5.478 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc12 408909731 DUBUZYIROHMLAJ-HUOZHCEOSA-N 416.546 6.169 30 40 HKEB Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968616 XXVHHJSKQLTKSL-MFKUBSTISA-N 409.371 6.905 30 40 HKEB CCCCc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)s1 585292979 BHYBJTVUPTWTMC-HXUWFJFHSA-N 423.611 5.895 30 40 HKEB COc1ccc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 1262489 DXEDTCZNUOQJAS-DEOSSOPVSA-N 406.526 5.543 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2409727 VMDZYVMMDBYSGL-NKVSQWTQSA-N 415.247 6.328 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)ccc1Cl 3085017 BNEGUBYXCOBFHW-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB O=C(/C=C/c1cc2ccccc2c2ccccc12)c1ccccc1OCc1ccccc1 5279074 ZCNODABXKAIVES-VHEBQXMUSA-N 414.504 7.468 30 40 HKEB COc1ccc(/N=C2/S/C(=C/c3cccc(F)c3)C(=O)N2C2CC2)cc1Cl 6373069 CHHLZSCDUHCBBO-DZHGSHHNSA-N 402.878 5.254 30 40 HKEB C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 6756631 DOJZOGPLJHJRIY-UHFFFAOYSA-N 409.791 6.341 30 40 HKEB biogenic Clc1ccccc1COc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 11992186 QZFHPZFMHNJLOR-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB C=CCN(C(=O)CCc1nnc(-c2ccsc2)o1)c1nc(-c2ccccc2)cs1 12822645 LKTLSYYHGYRBAU-UHFFFAOYSA-N 422.535 5.073 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)c(F)c2)cs1)c1c(C)cccc1C 12909455 KDZPAGGWQZDMBX-CSKARUKUSA-N 412.461 5.619 30 40 HKEB O=C1S[C@@H](S/C(=N\c2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1 17354956 PMOVMNJUYQYIMP-HXUWFJFHSA-N 419.531 5.746 30 40 HKEB aggregator CC(C)=N/N=c1\cc(-c2ccccc2)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2o1 30822721 KULNSNDMFXIQBT-QCWLDUFUSA-N 420.512 7.426 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccccc1 33027007 JXWZYZYRYAZUED-UHFFFAOYSA-N 421.456 6.151 30 40 HKEB CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2c1 44167773 ICXZFUZDCVWZHQ-UHFFFAOYSA-N 412.537 5.141 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1 97946015 KXWPCZJTLIEMJP-PYCFMQQDSA-N 408.567 6.318 30 40 HKEB CCCCCCCOC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 98007292 PLRFIUKTBYCEML-UHFFFAOYSA-N 411.586 6.359 30 40 HKEB Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c1 100503049 YFCBEWHLZSCQCB-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB FC(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103531437 IKEULTDRFFGVIG-OWOJBTEDSA-N 414.083 5.844 30 40 HKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc4ncccc34)n2)cc1 215673537 YBWABWQMXDILSZ-UHFFFAOYSA-N 410.502 5.208 30 40 HKEB CSC1=N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1c1ccccc1 408732068 RLYPDCNTIURIGL-LJQANCHMSA-N 415.356 5.592 30 40 HKEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCC 408761922 IILRUFCGAIKWNM-QNGOZBTKSA-N 422.550 5.276 30 40 HKEB O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)Sc2ccccc21 408976686 SJHJMQXPACFSHK-BKUYFWCQSA-N 423.331 6.358 30 40 HKEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409077714 FNMRTKHSIAIICX-XLNRJJMWSA-N 414.892 5.739 30 40 HKEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)c(C)c3)o2)C1=O 409128769 UGTAQRVDICKYED-YBEGLDIGSA-N 404.285 5.240 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 409199327 BNDCFQASKKHILK-DHRITJCHSA-N 412.302 6.535 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC 409202476 QZSSJFLEFHVMNM-CIAFOILYSA-N 421.278 5.232 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(Br)cc1 409203077 VYMSXKLVXDJEQZ-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccn1 409233752 WQXHRCXSWRQRMG-UXHLAJHPSA-N 409.577 6.708 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 711623 VRNXBSLBCFYTNY-CVKSISIWSA-N 423.428 6.722 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 843374 IETHPCTWYDUXPN-YZSQISJMSA-N 403.526 5.616 30 40 HKEB O=C1CCCC2=C1O[C@@](CC(=O)c1ccccc1)(c1ccccc1)C=C2c1ccccc1 3126336 AYRSKISQYSGZHT-LJAQVGFWSA-N 420.508 6.276 30 40 HKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1 11565578 SKEYVVCLOYWONJ-CSKARUKUSA-N 422.105 6.912 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(C)cc1 13756779 JLLAOFUWQSUBHQ-RWPZCVJISA-N 421.331 6.748 30 40 HKEB O=C1/C(=C/c2ccccc2OCc2ccc(Br)cc2)Cc2ccccc21 15231468 JGYWMTLXEAXKRX-XMHGGMMESA-N 405.291 5.851 30 40 HKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196900 PCXKZZVQZOFXCA-DEOSSOPVSA-N 414.505 5.170 30 40 HKEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N(C)Cc2ccccc2)n1 19820357 KAXWZCXDXMHFHH-UHFFFAOYSA-N 402.567 5.671 30 40 HKEB CC(=O)c1c(C)nc2sc3c(C)c(C#N)c(N)nc3c2c1-c1ccccc1Cl 20189087 SGSAYLDFNCEGRG-UHFFFAOYSA-N 406.898 5.438 30 40 HKEB Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2)c1 59105769 KHAJPVHGZNNTOF-HYARGMPZSA-N 418.493 5.605 30 40 HKEB CCCCCCCCCCCCCCCCCc1cc(=O)oc2cc(O)ccc12 95696903 WYDKAGRKLLDCSY-UHFFFAOYSA-N 400.603 7.913 30 40 HKEB CCCCCCCC1=NN2C(=N)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)N=C2S1 97964980 QGOMEFJLHBODMB-HVZAKDRGSA-N 407.543 5.456 30 40 HKEB CCCCCCCCSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 98009747 UJQAZZUSBKIUEK-UHFFFAOYSA-N 410.539 5.876 30 40 HKEB O=C1/C(=C\c2ccccc2)CN(C(=O)/C=C\c2ccccc2)C/C1=C/c1ccccc1 104289048 VWRVRYWIRXZQDO-AYSPQFQNSA-N 405.497 5.278 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OC 408907352 MILYREWDDMMBPX-RERTVAKNSA-N 408.523 5.274 30 40 HKEB COC(=O)c1ccccc1-n1c(C)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c1C 408937915 RDCPTKRNZPVYDK-ZMFRSBBQSA-N 415.415 5.346 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1cccc(Cl)c1 409120800 UIRLMVKWPBKIEL-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409212026 LJLUIFROHDQAPV-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB N#Cc1c2c(c(Nc3cccc(C(F)(F)F)c3)n3c1nc1ccccc13)CCCC2 642430 FHLXZAHRRRIIFQ-UHFFFAOYSA-N 406.411 6.000 30 40 HKEB Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c(O)c1 821765 VWQWDXMOCBSVOC-SSDVNMTOSA-N 409.239 5.419 30 40 HKEB CCC[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CC[C@H](c2ccccc2)C1 1771471 BKGGQMPUGWXBMN-ZGAORZAOSA-N 422.592 5.711 30 40 HKEB COc1cccc(/C=N/c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1O 3068808 ZEZIAJOPDNNVEZ-CVKSISIWSA-N 400.478 6.257 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 4812185 XPMXIDBUOPTCLQ-RUZDIDTESA-N 417.553 5.306 30 40 HKEB Cc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 8990468 OQPGZYLDAZBGJJ-ZVHZXABRSA-N 423.468 5.631 30 40 HKEB N#CCCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2ccccc21 12550992 OEMOHGWDOMEQEC-UHFFFAOYSA-N 412.518 5.348 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O)c1ccco1 13759667 BVOBKUMXORFVGQ-NVMNQCDNSA-N 401.201 5.422 30 40 HKEB C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1c2ccccc2cc2ccccc12 20242172 YFGVBQJHQGRQMY-UZWMFBFFSA-N 415.580 8.211 30 40 HKEB O=C(/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(F)(F)F)c1ccccc1 27026958 MNKUSBSIVOMHRM-LGJNPRDNSA-N 422.712 5.141 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3cc(F)ccc3S2(=O)=O)cc1 32984333 DCUCPGYIYAOXPC-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3cccc(Cl)c3Cl)c2C#N)C1 58160229 ZXBYEHWIZAQGLJ-GFCCVEGCSA-N 422.381 5.122 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(C#Cc5ccccc5)[C@@]4(C)CC[C@H]32)C1 245238910 CKXFHIVEFDOLKD-BXZLKHLESA-N 416.605 6.549 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1ccccc1I 408549873 AQOFKXOYXJQNGV-MFOYZWKCSA-N 400.057 5.113 30 40 HKEB CCn1c(N/N=C/c2ccccc2OCc2cccc(Cl)c2)nc2ccccc21 408692074 CUTGYLBTWFTRCA-MFKUBSTISA-N 404.901 5.735 30 40 HKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl 408739591 YCBQGJKEBZGPBK-FSJBWODESA-N 417.734 6.269 30 40 HKEB CCCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909090 CAEYDWRWLPNNFT-OQNHBUHUSA-N 417.578 6.374 30 40 HKEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 409100236 UREDDGQGDRHYQO-YZSQISJMSA-N 406.913 6.028 30 40 HKEB CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1C 2062829 BITHWYMMGYOOJS-UHFFFAOYSA-N 420.553 5.722 30 40 HKEB N#Cc1c(Cl)nsc1-c1ccc(CSc2cccc(C(F)(F)F)c2)cc1 2380512 JEIBKOUNSIRURO-UHFFFAOYSA-N 410.873 6.646 30 40 HKEB CC(C)=CCCC1=CC[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 4834809 JKMOBELHGOSJNL-QSOZIGLESA-N 406.505 5.570 30 40 HKEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 5463091 IUGHFLXCOJORAB-QTJNJRLBSA-N 400.887 5.192 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)sc1C 8837876 PFODPDCZBMPSQX-GOSISDBHSA-N 424.909 5.196 30 40 HKEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)cc1Cl 14070714 NXAJLMINDUSPCU-NEPJUHHUSA-N 422.381 5.341 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(C)c(C)c3)cs2)cc1 15188005 NDUQXVFQFANGRA-KPKJPENVSA-N 406.507 5.349 30 40 HKEB Cc1ccc(CO/N=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)cc1 22873169 NNZVAWZRFYVMOT-LUOAPIJWSA-N 404.819 6.280 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475132 LZFLSXVVOVBENY-AFUMVMLFSA-N 424.356 7.230 30 40 HKEB Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)sc2nc(C(F)(F)F)ccc12 84068068 JLNQEMYFQBSOAY-NSHDSACASA-N 401.369 5.255 30 40 HKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 101510515 CJWNZLNBUZZUNA-LBMUFILHSA-N 402.519 5.781 30 40 HKEB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 408535955 UVCRLACVSPTCEC-BOPFTXTBSA-N 410.930 5.179 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C 408560890 QMTPUPLWOZUIHN-UHFFFAOYSA-N 415.390 5.366 30 40 HKEB CCCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OCC 408919745 BWSVJMKQKNNMEJ-UHFFFAOYSA-N 423.553 5.307 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1 409213720 VANWDBKYLXKIIS-JVWAILMASA-N 410.473 6.694 30 40 HKEB Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409215332 ZBWKHQJJUKXIFU-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)cc1Cl 575243064 WITRNRXYDAJKAW-UHFFFAOYSA-N 423.058 5.653 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 2446213 PLHTUOOYPHIRDF-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(C)C)n2)cc1 4321388 STWAMHRMGCPDEL-UHFFFAOYSA-N 408.954 6.697 30 40 HKEB Oc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1Br 6528542 MFXRKGPABQLGDH-SSDVNMTOSA-N 409.239 5.419 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2)cc1 7496185 AMQNIPXNHBQKFB-FQRUVTKNSA-N 405.501 5.760 30 40 HKEB CCOc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 17043626 WKDPTGGOTBEBMR-BQRJAFJYSA-N 402.519 5.984 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 20761623 DJWBDMHSHSSCHJ-CVKSISIWSA-N 424.928 5.450 30 40 HKEB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 36522118 QSQHAMSBLJELNE-OAQYLSRUSA-N 409.526 5.517 30 40 HKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59678754 RFFNRJYQMXNWRM-YSURURNPSA-N 414.820 5.034 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764641 XREDWMBIOJONMM-UHFFFAOYSA-N 410.945 6.087 30 40 HKEB C#CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556892 KSGVDJISQMBKTQ-HXUWFJFHSA-N 422.333 5.183 30 40 HKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1O 408735966 YZEYWQAJVLGWLN-YDZHTSKRSA-N 422.282 5.229 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408861141 NWWZUDLHSRYJFA-GJJAMFMGSA-N 406.551 5.878 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)c(Cl)c1 408931664 OPXOMWUOMPCABP-CVKSISIWSA-N 411.908 5.474 30 40 HKEB CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC 409212314 OTPTWTVKCXZGJT-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC 409377580 IMZAIANFMIDCKH-MOROIOLQSA-N 409.913 7.069 30 40 HKEB CCCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1723609 RKYZPFKXPWKSRB-UHFFFAOYSA-N 417.571 5.337 30 40 HKEB COc1ccc(/C=N\n2c3ccccc3c3ccccc32)cc1OCCCN(C)C 1729965 MPFZVOWPLIMYMW-ITYLOYPMSA-N 401.510 5.016 30 40 HKEB Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 4073743 RHCQKTVYOJLSRN-DPIVHWOBSA-N 423.641 6.283 30 40 HKEB Cc1ccc(N/N=C/c2cccc(/C=N/Nc3ccc(C)c(Cl)c3)c2)cc1Cl 6982640 ODFVYEIKEPYUIF-BKHCZYBLSA-N 411.336 6.502 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc(Cl)c1Cl 8856933 FCAADTFGYZMVOM-OAQYLSRUSA-N 423.343 6.742 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 12956470 KBYPEDHVABNRLU-MPUCSWFWSA-N 406.096 5.831 30 40 HKEB COc1cccc(N2C(S)=N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)c1 13775616 ABZNJIHBBUSBML-QHCPKHFHSA-N 409.555 5.167 30 40 HKEB C=CCN(C(=O)c1ccc(OC(F)F)c(OC)c1)c1nc(-c2ccccc2)cs1 14723484 YEGFCWOXEMQTQE-UHFFFAOYSA-N 416.449 5.253 30 40 HKEB C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nc2c([nH]c3ccccc32)c1=O 16890317 MQHNGIQOJYZOJI-UHFFFAOYSA-N 415.440 5.375 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)ccc1OCc1ccccc1 32647114 XSWWYEMMALLEAM-AFUMVMLFSA-N 418.884 5.317 30 40 HKEB Cc1cc(C)c(C#N)c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 40217222 NGSIGZSKFDFYHN-UHFFFAOYSA-N 417.921 5.883 30 40 HKEB CCOc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccc(C)cc1 72314685 NSSRLUGKYAFVES-ISLYRVAYSA-N 407.513 6.813 30 40 HKEB C=CCc1cccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c1O 101332726 ONDPXBOVLPDHSY-DEOSSOPVSA-N 402.538 6.609 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3)sc2c1 101539296 OUZUAHQCTRYUPN-BHGWPJFGSA-N 406.894 6.404 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC=O)CC[C@@]43C)[C@@H]1CC=C2C#Cc1ccccc1 118915005 AHMJMFJZNJAALU-XPAVSRBOSA-N 402.578 6.159 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 224976978 YFBXPJRWYXCARX-UHFFFAOYSA-N 411.548 5.582 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 225751744 TYKWKZZRWSLAGS-INIZCTEOSA-N 400.544 5.096 30 40 HKEB Cc1cc(-c2ccc(C(=O)n3cc(C#N)c4ccccc43)o2)ccc1Br 226362611 DRGDPNHWHJJAPM-UHFFFAOYSA-N 405.251 5.532 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 408817737 MBBXFGFCACJITB-WGOQTCKBSA-N 417.530 5.719 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 409080197 MQFWBFBGZSCAAU-JLPGSUDCSA-N 423.443 5.902 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1cccc(F)c1 409115478 MLNBBQJPNZDDSU-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 409213425 UVMZAQJZPFACGL-RWPZCVJISA-N 403.884 7.270 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 409214555 YDVKPKJWNSQZSR-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 1310728 ZYMCLTCVNSEGKS-FATZIPQQSA-N 419.412 5.306 30 40 HKEB COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3cccs3)c2C#N)cc1 1518040 GMKSRYUPZHCPHQ-UHFFFAOYSA-N 406.532 5.543 30 40 HKEB aggregator CCN(CC)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccccn3)s2)cc1 2843315 RNJBSXXKATXBFT-DHRITJCHSA-N 404.461 5.821 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 3097659 MODJKYGOYRIKGZ-STZFKDTASA-N 420.921 5.811 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C#N)C1 4554793 XLILSTDJSUNPIC-INIZCTEOSA-N 402.519 5.576 30 40 HKEB CCCc1cc(NCc2ccc(Cl)cc2Cl)n2c(nc3ccccc32)c1C#N 4674968 FLXISURIBFCJAX-UHFFFAOYSA-N 409.320 6.231 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(Cl)c1 5477852 CDDHRCCSZKRKEN-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 5685075 CZMNJCNFGXKWMW-HZHRSRAPSA-N 400.463 5.831 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 5850909 ONDNHUDKGCKZPU-JOCHJYFZSA-N 400.503 5.155 30 40 HKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1Cl 6525865 YNVCJSGLQPABDN-AUICVKQUSA-N 406.957 6.377 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2O)c1 6641993 YAHBJEYICDUDAT-SXGWCWSVSA-N 408.401 5.455 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1 8451266 WTGXXJRJEXLJLL-UHFFFAOYSA-N 419.962 6.689 30 40 HKEB C=CCn1c(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)nnc1-c1ccoc1C 12916415 VPTHCJYEGBQEBQ-FQEVSTJZSA-N 424.570 5.028 30 40 HKEB N#Cc1c(N2CCCCC2)nc(NC2CCCCC2)c2c1CCN(C1CCCCC1)C2 13511266 MBPDMPQGMKKBDF-UHFFFAOYSA-N 421.633 5.379 30 40 HKEB CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 16693413 NSCDNPOXZFZOOQ-PCLIKHOPSA-N 404.535 6.029 30 40 HKEB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 17092010 UBDYOSSLYLOAQP-UHFFFAOYSA-N 419.843 5.974 30 40 HKEB FC(F)(F)C(Oc1cccc(OC(C(F)(F)F)C(F)(F)F)c1)C(F)(F)F 100045625 UHARMWKZVXCQBT-UHFFFAOYSA-N 410.154 5.431 30 40 HKEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1cc2ccccc2o1 102417212 PZZGNVVNXAKKMK-YDZHTSKRSA-N 401.378 5.050 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 102946620 XUOIROXCFZPUNU-SHHOIMCASA-N 407.429 5.355 30 40 HKEB CCCCCCCCCCCCOc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 104134615 MEPMCKHXMRVYQY-UHFFFAOYSA-N 415.599 8.046 30 40 HKEB CCN1C(=O)/C(=C\Nc2ccccc2)S/C1=N\Nc1nc(-c2ccccc2)cs1 104302427 ANVVUUZZMXFCGG-NQWGEATPSA-N 421.551 5.042 30 40 HKEB CC(C)N1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@H](C)CC1(C)C 260567922 MXRWJOJZRABSIS-LBGKPPMZSA-N 412.577 7.730 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1 408562187 NXVVCOUNJYMECW-UHFFFAOYSA-N 406.983 5.361 30 40 HKEB O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccccc1 408814559 RPSYFLHHQWZBTL-UCQKPKSFSA-N 409.283 5.217 30 40 HKEB O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 408854692 ACAURUNCFANVQU-GONHQIRISA-N 406.526 6.319 30 40 HKEB Cc1ccc(-c2nc(N/N=C/C=C/c3ccccc3)sc2-c2ccccc2)cc1C 408975594 NQAAQUKPCFSQMY-OBZSEMDPSA-N 409.558 7.205 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1F 408981845 CGZUNMUEWURQDR-AFUMVMLFSA-N 417.465 5.614 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409087286 SSBHMVZDZCFJKI-LGJNPRDNSA-N 409.913 5.962 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409200734 JZZQGVKKWXEAHL-AFUMVMLFSA-N 424.884 5.125 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409209729 ICBYBOVKZGXOHP-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409215505 ACBZGQQWNPXFLU-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB COC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C)c1 409229944 WDIISQJHPLJNLD-DICXZTSXSA-N 400.453 5.674 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Br)cc4)ccc32)c1 409244891 KCUIYSORWSNURA-QFEZKATASA-N 407.286 6.342 30 40 HKEB COc1ccc(O)c(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1 409364648 XUCNTSLKOFZIHX-MUFRIFMGSA-N 422.484 6.567 30 40 HKEB COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)o1 409384990 HBCCDEDSFOGHNS-RMORIDSASA-N 420.248 5.623 30 40 HKEB C=C(C)Cn1c(SCCCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1818926 UEFNOUZXMQBTFZ-UHFFFAOYSA-N 408.611 6.137 30 40 HKEB CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1 2573953 QFYJYZHJRXKGNX-UHFFFAOYSA-N 404.232 5.135 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21 4107666 OHOMASPZDOHKRM-VULFUBBASA-N 407.502 5.617 30 40 HKEB CSc1nc(Sc2cccc(Cl)c2Cl)c(C#N)c(-c2ccc(C)cc2)n1 8762230 WRKQAPWUYCKQAR-UHFFFAOYSA-N 418.374 6.504 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccccc1)N(C(=O)C1CCCCC1)c1ccccc1N2 9264161 JYJPMXIAUVFUQV-VWLOTQADSA-N 400.522 5.774 30 40 HKEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9579062 KXMGVFVJPNYJQG-CQSZACIVSA-N 424.957 5.028 30 40 HKEB O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 9720867 MQPOZVHOZMNSBU-NJMAKWBESA-N 406.894 5.854 30 40 HKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 10119033 XWUWUEDKEWKQRD-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB CN1/C(=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 33402815 NWYCGIGOSCDJJB-YRMQSZDBSA-N 416.546 5.176 30 40 HKEB Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cc1 40051147 RPRZIMUDMJSOGG-UHFFFAOYSA-N 402.498 5.086 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)o2)cc1 59137848 DXJOCMHLTUKCDO-MOSHPQCFSA-N 420.559 6.248 30 40 HKEB CCCCCCCC[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O 59268485 YNMWHTJDIIHECY-QFIPXVFZSA-N 408.494 6.043 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909803 FBLWXWZIMOLVHJ-BRWGRUQKSA-N 417.578 6.372 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)S/C1=N/c1ccccc1 408929545 KTSUPXUNGCOLTC-HHNALLHBSA-N 420.456 5.346 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408943350 SAYSFDXAAGYNBI-ANMKHLNKSA-N 408.545 7.053 30 40 HKEB C=CCn1c(C)cc(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c1C 3439333 HPFYNEBAMYLVPX-UHFFFAOYSA-N 402.519 5.829 30 40 HKEB Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1ccc(Cl)cc1Cl)CC2 5453920 JPGCJBBTCCKTGD-UHFFFAOYSA-N 407.304 5.537 30 40 HKEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 9184134 JBGBVIZBMWJIQY-QJYQMIDQSA-N 412.441 5.320 30 40 HKEB Cc1ccc2nc(N/N=C/c3ccc(Br)cc3)nc(-c3ccccc3)c2c1 11617456 HHIIADJFVJBBRN-ZVHZXABRSA-N 417.310 5.814 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 16524946 IBQYSSJTNSLJNR-XMMPIXPASA-N 404.897 6.114 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(C)c1 33301494 BZSGEMHKYMWJAK-NDENLUEZSA-N 419.462 5.363 30 40 HKEB COc1ccc(C)cc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 35311840 WDVCJQBNCHUNSP-UHFFFAOYSA-N 405.523 5.278 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 50860163 FNWKIEPQFCRQBJ-OAQYLSRUSA-N 403.570 6.226 30 40 HKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=C(CC[C@H]32)[C@](C)(C#Cc2ccccc2)CC4)C1 253617245 FCVNCXQMMCVJBR-JGVXXVJESA-N 416.605 6.693 30 40 HKEB NC(=O)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408979405 QKFAHANWBLZYTM-VULFUBBASA-N 419.550 5.473 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S1 409019511 ZMTIJRZJCFWEEX-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409079496 KNDUBXRZHRTANY-MFOYZWKCSA-N 407.322 5.623 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409209939 JVJRICWBIWTRMQ-HLAKCNICSA-N 424.610 6.707 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2Br)cc1OC 409381572 GXXXHJWATMFWQV-MYSNOUKZSA-N 410.739 6.347 30 40 HKEB CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)O)c1ccc(O)cc1 627281286 LJFYHBGEUSVBQZ-VWLOTQADSA-N 418.662 8.602 30 40 HKEB N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 6583516 HBGQDSRIOSZPBZ-SFHVURJKSA-N 408.958 5.941 30 40 HKEB N#Cc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)c(C(F)(F)F)c1 9501073 JZGOULHRPWXJIX-UHFFFAOYSA-N 420.843 6.114 30 40 HKEB CC1=Nc2cc3ccccc3cc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O 31759903 LJVKRIPRGDEUOT-FYJGNVAPSA-N 412.876 5.838 30 40 HKEB CCCCCCCCCCCCCNC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1 104101867 FCZKFYVSMMQHBU-HXUWFJFHSA-N 406.567 6.041 30 40 HKEB CCC(=O)Nc1cccc(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 108270515 FXDVCRRMWKWKJK-OAQYLSRUSA-N 417.896 5.596 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C\c1ccccc1C(F)(F)F 408733498 YNBVDOQIXHIHHE-PLYROHNOSA-N 404.207 5.727 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408760760 FOPNUOCETQGYSF-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409068383 IOBXIGJTKCAXLF-WYMPLXKRSA-N 402.376 5.467 30 40 HKEB C=CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 409214517 VOJUYCPPDKNXLH-YZSQISJMSA-N 407.897 6.846 30 40 HKEB N#Cc1ccccc1-c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409274132 BQMJKLQAXKKEDV-UHFFFAOYSA-N 422.488 5.458 30 40 HKEB N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 3321453 PTMKZKRBIVAADI-UHFFFAOYSA-N 411.486 5.611 30 40 HKEB CC(C)=CCCC1=CC[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 4816260 PTCHRNVRDYQMRO-BDGUZBFISA-N 422.504 5.275 30 40 HKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2cccc(OCc3ccccc3)c2)c1 5737056 ZEJDAFHYKUKQFR-LGJNPRDNSA-N 404.819 6.384 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cc2ccccc2o1 6356446 YJCASLNDERBULY-UHFFFAOYSA-N 418.522 5.171 30 40 HKEB N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446060 WFIMRMKSSXICDO-DSITVLBTSA-N 419.459 5.110 30 40 HKEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 8277912 HJBXFFGFAMIQCN-UHFFFAOYSA-N 403.894 5.203 30 40 HKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 20650330 OQJUOPHOZYWALB-UQQQWYQISA-N 413.517 5.907 30 40 HKEB CCCCCCCc1ccc(/C(N)=N/OC(=O)c2cc(Cl)cnc2Cl)cc1 95747901 HKKMHSMUSHRDEL-UHFFFAOYSA-N 408.329 5.379 30 40 HKEB CCCCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)O 100079370 WFKKPVSAXVSKCE-UHFFFAOYSA-N 402.663 8.290 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 101510722 BCURXPBCRVGFAN-DNRSQYFGSA-N 416.646 7.824 30 40 HKEB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1 102193294 MUWMTTCKIJXEDC-UFFNRZRYSA-N 419.287 5.538 30 40 HKEB Cc1cccc(NC(=O)Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)c1 408594009 CSNQMORXIJUZSE-RWPZCVJISA-N 422.488 5.011 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)o1 408852466 GBGISBLTCXMFAN-ODLFYWEKSA-N 423.425 5.194 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)cc1 408931312 JWFMGPAMVSEPDS-ZMFRSBBQSA-N 414.383 5.429 30 40 HKEB CCOc1ccccc1/N=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409187359 PJTTWKXEJSALSV-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409212564 QRWHJVCQLOUPCP-ZMOGYAJESA-N 424.294 5.785 30 40 HKEB CC[C@@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409308514 YSMJJLYJVWYSKG-GOSISDBHSA-N 403.526 5.504 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CC[C@H](O)C(C)C)C[C@H](O)C[C@H]1O 669679110 BJYLYJCXYAMOFT-KMCBEESLSA-N 416.646 5.561 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3cc(Cl)ccn23)ccc1Cl 978812 ZHHYUVMCNXZHBM-UFFVCSGVSA-N 401.209 5.560 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3Br)c12 12684751 LAASIYAJAIKFJF-OUKQBFOZSA-N 420.310 5.442 30 40 HKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c(F)c1 17088353 DVCKNFLNZYYNFB-UHFFFAOYSA-N 409.779 5.550 30 40 HKEB CN(C)c1ccc(/N=C(\C#N)c2cccc(/C(C#N)=N/c3ccc(N(C)C)cc3)c2)cc1 18031287 MENPARZFJLXAQL-XDHTVYJESA-N 420.520 5.107 30 40 HKEB COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 20763045 PIVKWQCDYISCRN-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)S1 34745817 GCQFGRKZMLWMFW-XDHOZWIPSA-N 409.898 5.036 30 40 HKEB O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)ccc2O)c(Cl)c1 38162567 COVXTUZVELKQRX-BHGWPJFGSA-N 411.244 5.250 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1cccc(F)c1 409117675 PWDYMPWFBIQFAR-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)NC1CCCCC1)CCCC3)C(=O)N2 409122274 ZYRUBQBOGDZFKB-UHFFFAOYSA-N 421.566 5.071 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 409216594 MRAHNSBHLIDLLG-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)cc2)cc1 409229403 OMRNIMPDBRKQMW-JZCUADNKSA-N 421.449 5.099 30 40 HKEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc(Br)ccc3O)cc21 793499 MXLOBXOIDXVGHB-SSDVNMTOSA-N 409.239 5.263 30 40 HKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 2187596 UCWROWYMKCOKGU-UHFFFAOYSA-N 406.522 5.652 30 40 HKEB CC(C)(C)c1cc(-c2nnc3sc4cc(C#N)c(C#N)cc4n23)cc(C(C)(C)C)c1 4575014 KULQPGOWKDXGJF-UHFFFAOYSA-N 413.550 5.949 30 40 HKEB C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 6167615 UPCQMQBWSIQPAJ-YADARESESA-N 408.567 5.358 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 8820733 ROXCBRXPAODWQJ-NVNXTCNLSA-N 412.820 5.259 30 40 HKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 10119140 XJZRMQUUWOLLQR-MUFRIFMGSA-N 418.899 6.335 30 40 HKEB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 13509414 IDSWGLCMSLAZEM-UHFFFAOYSA-N 423.541 6.121 30 40 HKEB COc1ccc(/N=C\c2c(O)ccc3c2oc2cc(Cl)c(O)c(Cl)c23)cc1 17949075 UWXKHLVNEQUSFY-AQHIEDMUSA-N 402.233 6.063 30 40 HKEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 96346035 FFYTWMVGFRVTQF-MOPGFXCFSA-N 410.477 5.343 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 100501273 QYDCSEFSZADARP-FSJBWODESA-N 423.266 5.722 30 40 HKEB Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1 137760867 YWHSVWUFZQSKGE-TURZUDJPSA-N 409.533 5.585 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408943353 SAYSFDXAAGYNBI-XKCZMGTLSA-N 408.545 7.053 30 40 HKEB C#CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409040578 GUDYPHVZGBQUTF-FYJGNVAPSA-N 420.921 5.321 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409096368 JZBLJDVGRZWPAC-GZTJUZNOSA-N 420.317 5.795 30 40 HKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 409208366 FMPFGWODHXKBIH-BUVRLJJBSA-N 413.926 5.729 30 40 HKEB C[C@@H]1CCc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2C1 1010207 FXGGJYDWLKDKKS-GOSISDBHSA-N 413.546 5.535 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 1884745 BSPSCGHHGJGYCB-JAIQZWGSSA-N 421.792 5.084 30 40 HKEB O=C1c2ccccc2[C@](O)(C#Cc2ccccc2)c2c1oc1ccc3ccccc3c21 2028120 FTCADZKIPHNLSY-MUUNZHRXSA-N 400.433 5.418 30 40 HKEB COc1ccc(/C=N/OCc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 3341316 USSRYKPKRMHXCQ-MZJWZYIUSA-N 415.411 5.844 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C[C@@H]1CC=C(C)C1(C)C 18250027 UNOQSTZPCVOPNP-AVRDEDQJSA-N 420.597 6.249 30 40 HKEB biogenic CN1/C(=C\C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)C=Cc2ccccc21 33479238 YESFFUZOXTZOML-SVJWQLCWSA-N 403.485 5.876 30 40 HKEB CO[C@@H]1Nc2ccc(C)cc2C=C1/C=N/Nc1nc(-c2ccccc2)c2ccccc2n1 46085372 LKEIDLDPOREOSG-YABZZONLSA-N 421.504 5.485 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C[C@H]12 100745264 FFBZDXFXMPXMPT-PFEZYOTCSA-N 411.630 5.351 30 40 HKEB CCOc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)cc1 100986521 FYSKFBMJPIDWJH-YBNBZSSTSA-N 424.544 6.041 30 40 HKEB Cc1cccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)c1 102417504 QXJAIANUJZNZSG-FSJBWODESA-N 407.267 6.022 30 40 HKEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614595 PDZZTYLOMIPMFQ-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1C1CCCCC1 408742090 UUVJOSUSMYFCML-NDENLUEZSA-N 413.974 6.155 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408752785 CELVZWITIDYCCQ-WGOQTCKBSA-N 408.929 6.455 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)cc1 408760674 CVFAFRLUAGKLJA-HAHDFKILSA-N 415.562 5.857 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1 409017580 FPFCAXKNBADULM-MOSHPQCFSA-N 423.896 5.090 30 40 HKEB C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C2CCCCC2)cc1 409058934 ZSWZIGGBBOIUMI-XYGWBWBKSA-N 420.538 6.602 30 40 HKEB CCOc1ccc2ccccc2c1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409199829 DZZWHCHNEOPRTO-UWSVQNCHSA-N 416.590 7.073 30 40 HKEB COc1nc2c(c(-c3ccco3)c1C#N)CCc1c-2cnc2ccc3ccccc3c12 1076154 MQQTZAXBKOITDA-UHFFFAOYSA-N 403.441 5.689 30 40 HKEB C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(C(F)(F)F)c1 1590857 CRBXPBFUBDGBAV-UHFFFAOYSA-N 417.500 6.529 30 40 HKEB O=C(ONC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(C(F)(F)F)c1 3225966 JGDWJZLXRPHDCA-UHFFFAOYSA-N 417.767 5.214 30 40 HKEB Cc1ccc(S(=O)(=O)OC2=C(Sc3ccccc3)C(=O)CC(C)(C)C2)cc1 4114554 DBEBZDVPTMUIES-UHFFFAOYSA-N 402.537 5.093 30 40 HKEB C(=N/c1cc2c(cc1CCc1ccccc1)C[C@H](c1ccccc1)N2)\c1ccccc1 4235261 QBYUHOMJKCZKQO-HEWHHCIISA-N 402.541 6.932 30 40 HKEB COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccccc1)c1c(ccc3ccccc13)N2 4708011 ZBNIQBAZEURMGW-QPPBQGQZSA-N 411.501 5.440 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O 4910568 YKSONLFELBMPJL-NRFANRHFSA-N 417.553 5.014 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccco2)[C@H]3c2ccccc2)cc1 5210797 IHFOCWUXWQQKET-PBMMVTTKSA-N 408.453 6.492 30 40 HKEB CCCCc1ccc2c(c1)C(=O)/C(=C1\Sc3ccc(CCCC)cc3C1=O)S2 5421702 OMRKIGVRFIHRFY-WCWDXBQESA-N 408.588 6.860 30 40 HKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(C(F)(F)F)c1 5478304 NQPBRZBZZUDMIC-UHFFFAOYSA-N 419.472 5.663 30 40 HKEB CCOc1ccccc1C(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 6024658 OJSPGQGYMFAFJQ-UHFFFAOYSA-N 401.491 5.041 30 40 HKEB Clc1ccccc1CN/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8811321 SVYIYSPYMJQTCK-JVWAILMASA-N 400.909 6.196 30 40 HKEB O=C1Nc2ccc3oc4ccccc4c3c2/C1=N/Nc1ccc2c(c1)oc1ccccc12 9033168 NOIUCIRTPGFSAA-UHFFFAOYSA-N 417.424 6.254 30 40 HKEB biogenic COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118961 NLBKTKGUFZNCKA-DHRITJCHSA-N 402.325 5.533 30 40 HKEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c(F)c1 17087648 VSMRHCVNEOBECV-UHFFFAOYSA-N 407.404 5.911 30 40 HKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1OC 32115280 XCHZLNVNRMDWOB-WSDLNYQXSA-N 419.319 5.351 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(C)cc1 59459544 CPEZSJDRFLMIBI-AYDYRGASSA-N 417.940 5.416 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3cc(C)cc(C)c3)c(C)c2s1 72228800 JXPBEEKIGKWACS-UHFFFAOYSA-N 410.543 5.355 30 40 HKEB CCCCCCC[C@@H]1[C@@H](O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 98009112 IUVNAZXEDLWMKH-FXSWLTOZSA-N 411.586 5.817 30 40 HKEB O=C(C(=N/c1ccccc1)/C(=N\c1ccccc1)C(=O)c1ccccc1)c1ccccc1 100471633 WQMMIFSPFCPWEG-XDHTVYJESA-N 416.480 6.298 30 40 HKEB Cc1ccc(C(=O)/C=C(\Nc2cc(Cl)ccc2O)C(=O)c2ccc(C)cc2)cc1 100558736 KMOZFHORYTXUEY-STZFKDTASA-N 405.881 5.724 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C\Nc1cccc(Cl)c1)C(=O)c1ccccc1-2 103164163 ZLGNXQDIPZCPQZ-LDADJPATSA-N 407.853 5.734 30 40 HKEB CCCCCC/C=C\[Sn](CCCC)(CCCC)CCCC 195836217 RKBVCEBSAXUZHR-UHFFFAOYSA-N 401.267 7.901 30 40 HKEB C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1Br 408605319 GHZWCABMFYJENQ-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB CSc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408847016 OQRMOUQTTBDTLP-CFRMEGHHSA-N 410.564 5.622 30 40 HKEB CCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 408916636 YRUGHVFNRWOVPZ-LBMUFILHSA-N 408.567 6.044 30 40 HKEB Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 408932797 ZHUBVGXQCRWIFP-YZSQISJMSA-N 406.913 5.506 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408967907 SRGLPRJNZAKMKD-TURZUDJPSA-N 401.598 6.988 30 40 HKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccccc3C)c2C)sc2c1CCCC2 409067506 YLVWXWWDKSOKFJ-YSMPRRRNSA-N 420.578 6.270 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 409208347 FISYGNRJHSIUAO-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)cc2C)cc1 409209305 IURPWZDLNLGBIC-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)s1 409307983 VSUXHDVSHMFRRQ-UHFFFAOYSA-N 405.866 5.407 30 40 HKEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S 409340342 VOPJISZQZOMUSC-LICLKQGHSA-N 422.497 5.500 30 40 HKEB CCN1C(=S)N[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C1c1ccc(Cl)cc1 2643635 GMYHAEMQKXENDP-GOSISDBHSA-N 405.350 5.245 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])s4)ccc3o2)cc1 3139208 XMBRNFVTJZJVPE-YDZHTSKRSA-N 405.479 6.513 30 40 HKEB C=CC[N+](C)(C)c1ccc(CCC(=O)CCc2ccc([N+](C)(C)CC=C)cc2)cc1 3814201 ZAEXMNKDGJNLTA-UHFFFAOYSA-N 406.614 5.327 30 40 HKEB in-vivo Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 4181661 VOPFGQSZFQTNNB-FCLJUIRISA-N 409.489 6.480 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1SCc1nc2ccccc2[nH]1 6383116 NAHXSSSFNCPFBT-UHFFFAOYSA-N 411.317 6.096 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1cccc(C#N)c1 8812026 OVMPAXYAVXNRIG-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB COc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 9196523 CGUPBOIRMSCODF-WYMPLXKRSA-N 402.325 5.533 30 40 HKEB N#C[C@@H](c1ccc(Br)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 13957978 NFJDLFJJBCGKDP-PKTZIBPZSA-N 416.322 5.865 30 40 HKEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082755 YNFFSPQIFAEHFL-QGZVFWFLSA-N 423.465 5.291 30 40 HKEB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccc(Br)cc1 15222492 UUSSDIAYHDLFKE-XDOYNYLZSA-N 415.356 5.715 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 17093474 UYBMCKFDDZONEQ-QWHCGFSZSA-N 423.321 5.423 30 40 HKEB N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 20459097 BCTDQUNEHWVSRF-ZDXQCDESSA-N 407.498 5.158 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc(F)cc1 27533687 ZGTDCERTYWXVPS-VGOFMYFVSA-N 400.784 5.390 30 40 HKEB O=C(O)COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 59678543 SAPYEYNVDOFOCE-MZJWZYIUSA-N 423.940 6.022 30 40 HKEB CCCCCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 98042745 RXAGPTDAMGKJKY-OAQYLSRUSA-N 418.603 5.172 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc([N+](=O)[O-])c1 100116453 RQLYAXUYLGOQPY-ZMOGYAJESA-N 404.495 5.565 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(C3CCCCC3)c2C)ccc1I 408743249 ZRZZRPPTQSRSDT-LPYMAVHISA-N 420.338 6.274 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)SC1=S 408811822 LZTWCCWKNHFNPB-MFOYZWKCSA-N 423.390 5.788 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408916198 VYOZBLUSXOHTCI-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl 409199919 FRELHEZWYWZIEB-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 409218613 WFNSBPOGNFKVGD-KEBDBYFISA-N 411.137 5.978 30 40 HKEB c1ccc2c(OC[C@@H]3CO3)c(Cc3ccc4ccccc4c3OC[C@@H]3CO3)ccc2c1 856544 OCTGJOAYIZMTFA-GOTSBHOMSA-N 412.485 5.139 30 40 HKEB O[C@@](CC#CCN1CCCCCC1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 1787224 XAVZBLKDUOVTTJ-LJAQVGFWSA-N 409.573 5.859 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)NCCCCCCN)CCC[C@]2(C)[C@H]1CCc1ccoc1 4064139 CBPBBJSTPXAZBY-LJCOXQHRSA-N 414.634 5.626 30 40 HKEB biogenic COc1ccc(C2=NN([C@@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 4593473 HBUVNOADDUOJFD-RPWUZVMVSA-N 412.449 5.019 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(C)cc1 5477901 PRQRBFDREXOAHF-UHFFFAOYSA-N 406.555 5.041 30 40 HKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5524794 FIJMGPLZXVFCRB-HSZRJFAPSA-N 413.521 5.390 30 40 HKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)c1ccccc1 6633807 FWBGYWINZJXRIK-UHFFFAOYSA-N 407.539 5.142 30 40 HKEB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 7363624 ASHIPURAFWJQDG-NSHDSACASA-N 414.581 5.013 30 40 HKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2ccc(Cl)cc2)cs1 7718175 VNPWKMILPIQJST-PKNBQFBNSA-N 410.926 5.994 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(Cl)c3Cl)c12 8229819 VAOVTYIFVCDOBJ-VAWYXSNFSA-N 410.304 5.986 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 8385945 LNRCGHMSUKJHHS-CJFMBICVSA-N 406.570 6.267 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccs1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 12349949 KTMQQZJAFFZPNS-DMZKTXOQSA-N 423.559 5.785 30 40 HKEB Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 17093421 UNTAVFARBIDCDS-IXORVSQSSA-N 422.981 6.838 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 18057579 JSGBFOOGKMUZGF-QFIPXVFZSA-N 406.913 5.255 30 40 HKEB CCc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 32984220 VMUBZOVGWOLTEZ-UHFFFAOYSA-N 423.921 5.552 30 40 HKEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)o3)s2)c(C(F)(F)F)c1 40110808 MEESFSLTZHTTJC-UHFFFAOYSA-N 411.792 5.123 30 40 HKEB CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1Cl 59664015 USSDBBOCOROXOW-NLRVBDNBSA-N 415.961 7.308 30 40 HKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)c(Cl)c1 83308963 GSMOWQYQIZLYKZ-QPEQYQDCSA-N 418.132 6.192 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106688515 JKOHGIUMJAOLNK-UNOMPAQXSA-N 415.898 5.150 30 40 HKEB FC(F)(F)C(=C(Oc1ccc2ccccc2c1)C(F)(F)C(F)(F)F)C(F)(F)F 107877860 GHMDCJKGIOXCIZ-UHFFFAOYSA-N 424.209 6.795 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 223524816 SGLWJVROOQOUTF-HQBBIKFRSA-N 405.567 5.642 30 40 HKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955514 RWVZKIZJLPJUJP-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 408738054 IKXPFFFCABGKKN-DHDCSXOGSA-N 407.720 5.303 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1C 408758787 RGCMYLXTPYOGPH-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 408937315 ISMAHRSTHVBMLH-CGAIZOBYSA-N 408.545 6.971 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409029958 AZMBTWZZIORCPX-XWDBMOKESA-N 424.744 5.240 30 40 HKEB CCOc1cc(/C=N/c2ccccc2/N=C/c2ccc(O)c(OCC)c2)ccc1O 672007 QMCRCLWYZIWLOD-RYQLWAFASA-N 404.466 5.396 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1cccc(Cl)c1C 4664472 IWVIQXMFDFULAV-PDHVABIUSA-N 407.322 5.631 30 40 HKEB Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)c1 5005938 UUPZQKFWUHBDKE-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB CCN(CC)C(=S)SC/C(=N/O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5025402 QXCONMLJFIJECI-XLNRJJMWSA-N 410.649 5.525 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ncccc1[N+](=O)[O-] 13575817 IBNDKYOWBZMGLA-UHFFFAOYSA-N 403.250 5.381 30 40 HKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc(Nc2ccc(C)cc2)c1=O 28527609 BGRAPTGXUCSMPS-UHFFFAOYSA-N 420.582 5.466 30 40 HKEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2c[nH]c3ccccc23)C(=O)C1 100004668 KNRNFKZXBSEZBT-NRFANRHFSA-N 407.510 5.027 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2F)cc1 100137752 BJNNPQYOEMYJCE-KROBSHITSA-N 413.448 5.317 30 40 HKEB C/C(=N\c1cccc2ccccc12)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643586 NBWGGWRHMOMTBL-MTDXEUNCSA-N 404.469 5.990 30 40 HKEB O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3ccc(/N=C\c4ccc(O)cc4)cc3)cc2)cc1 100644056 ZZSCOBSBVCVPGZ-HJTNQMAYSA-N 421.456 6.469 30 40 HKEB C(=N/n1c(-c2ccccc2)cs/c1=N/Cc1ccccc1)\c1cccc2ccccc12 103371952 MXJFMHMOEGUGEC-HMEWOPHRSA-N 419.553 6.353 30 40 HKEB c1ccc(C/N=C2\c3ccccc3[C@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 104045525 ZCLGJVKIUWRQMS-JSTIOBABSA-N 400.525 5.818 30 40 HKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc4[nH]c5ccccc5c4c3)C2=O)s1 107929376 UHRQLQNPXIKOCP-XLZGVGHGSA-N 404.520 5.153 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C/N5CCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118928920 NGLYMHZNHRUNQT-XDVBJHCVSA-N 411.586 5.040 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 408912121 LVAZOCXLSRAERX-PCPGVWIYSA-N 422.594 6.432 30 40 HKEB CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)OC)cc1 408913876 UVTQRWLBYVTDAG-LPCFMYKTSA-N 416.502 5.250 30 40 HKEB COc1ccc(COc2ccc(-c3c(-c4ccccc4)cnc(N)c3C#N)cc2)cc1 408978006 GPQZVGYJTFGTMJ-UHFFFAOYSA-N 407.473 5.457 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=C3/Sc4ccccc4C3=O)cc2)cc1C 409350236 RMDLNNVWGOSSRD-OEAKJJBVSA-N 415.514 5.650 30 40 HKEB COc1cccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1 2016058 VMVKIDPOEOLUFS-SANMLTNESA-N 424.585 5.084 30 40 HKEB biogenic,in-man CCc1cc(SCc2nnc(-c3ccccc3)o2)n2c(nc3ccccc32)c1C#N 4492201 GMUSJWXKZUDLNJ-UHFFFAOYSA-N 411.490 5.264 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944854 IQDPRDANKAMJJY-HXUWFJFHSA-N 419.521 5.176 30 40 HKEB COc1ccc(OC)c(/C=C/C2=C(C)C(=O)C[C@@H](c3cc(OC)ccc3OC)[C@@H]2C)c1 6481710 XFKMHVHJTMTWOA-LXTMVOJNSA-N 422.521 5.443 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1occc1C 9315670 JCSDVFFONUEOIC-UHFFFAOYSA-N 423.325 5.070 30 40 HKEB CCOc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1 11869290 UVHBXGGSYWWRMG-KSEXSDGBSA-N 424.855 6.073 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1 13895180 NOLMKTRDLKFAKX-OVJCGYIESA-N 420.490 5.101 30 40 HKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccccc1F)Nc1ccccc1 33516159 YVZFPELHSHYOOM-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB C=CCOc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 38755411 CJGJGOHVKJRGAA-UHFFFAOYSA-N 405.519 5.675 30 40 HKEB COc1cc2c3c(c1)/C(=N\c1ccc(Cl)c(Cl)c1)C(=O)N3C(C)(C)C=C2C 97960669 CAVFRIFJIAYEGR-HKOYGPOVSA-N 401.293 5.665 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(Br)cc3)cs1)C2 100929636 YALZLCZKTACCIE-RLJBYJPOSA-N 404.377 6.187 30 40 HKEB CCCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 101967254 UEDNLNWLIMQFJD-UHFFFAOYSA-N 416.348 7.336 30 40 HKEB C=CC[N@@+](C)(C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 245239860 GETBUQMZUFEKDG-YWEHKCAJSA-N 416.670 6.105 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408872004 IYJSRHQBHNDNNA-XXZNUPRBSA-N 420.534 5.568 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408914882 ZJOFSIGCUGCODF-YUMHPJSZSA-N 420.472 6.197 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 408935866 DXKBBPZJEVNKKI-CRRIZSMVSA-N 420.556 7.137 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 409109643 IQVPNTCMAPSIPH-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F 409199818 DZVTYWKITCZDJJ-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB CCOc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 409203155 VMUZYSOHEJTFMU-OGLMXYFKSA-N 415.920 7.222 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409208294 AJGMDNCVGIQJMY-LGJNPRDNSA-N 402.296 7.025 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 409212715 PWDSSXYNNTWFID-DHRITJCHSA-N 400.305 6.640 30 40 HKEB Fc1ccc(CC/N=C2/NCCCCCOc3ccccc3Oc3ncccc32)cc1 643571268 BMZBIAHHQWKMHT-UHFFFAOYSA-N 419.500 5.155 30 40 HKEB CCCCCCCCc1cc2c(Br)sc(Br)c2s1 1776011055 VBUVCVBHMXZQMH-UHFFFAOYSA-N 410.240 7.391 30 40 HKEB COc1ccc(/C=C/C2=CC(=O)C[C@H](/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC 5395655 XIRQHZXXHMDKQE-RIKGZRHGSA-N 420.505 5.353 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N\NC(=S)Nc2ccc(C)cc2)c1O 5615766 XFQVVONBOACZMR-JWLCOBFGSA-N 419.510 5.445 30 40 HKEB C=CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 8905005 WBXZTTSOHZXPLM-UHFFFAOYSA-N 418.331 5.329 30 40 HKEB CC(C)Oc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Br)c2)c1 9331666 YTPZALDWOLQMAV-RGVLZGJSSA-N 417.332 5.040 30 40 HKEB CCOc1ccc(Nc2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)cc1 12418878 ITIBGKOYPLGVHS-UHFFFAOYSA-N 401.422 5.528 30 40 HKEB O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)Sc2ccccc21 16524240 WPZUSUPVESNIOU-NTUHNPAUSA-N 412.102 5.247 30 40 HKEB Cc1ccc(-c2nnc(N/N=C/c3c(C)nc4sccn34)c3ccccc23)cc1C 16756524 XWKRIQKMKLXZSZ-ZMOGYAJESA-N 412.522 5.377 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc(C2CCCCC2)cc1 17248700 ZORVDSNYFHRMQX-UHFFFAOYSA-N 419.976 5.973 30 40 HKEB COc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1 25396186 RIOJLWWYBQNLAT-CCEZHUSRSA-N 420.468 6.190 30 40 HKEB CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@H]2CCCC[C@H]2C1 104377642 RRAUVBZLIQRUAF-ULJKERAFSA-N 406.763 8.905 30 40 HKEB Cc1ccc(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)cc1C 215721566 KPEANTPASGYNEL-OXVLKEGXSA-N 423.969 6.222 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cc(Cl)ccc1Cl 408749928 JZIHZVAPAIIINF-AFPJDJCSSA-N 404.257 5.150 30 40 HKEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 408759520 GLOHGXFVNGYHNP-QSEAXJEQSA-N 417.468 6.599 30 40 HKEB CCCCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409391111 HFWREJDHYBHJOO-JVWAILMASA-N 414.505 6.162 30 40 HKEB COc1cccc(CN(Cc2ccco2)c2oc(-c3ccc(Cl)cc3)nc2C#N)c1 606422511 ZXYKAPQPZNRKEB-UHFFFAOYSA-N 419.868 5.675 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)s4)cc3)sc2c1 2186999 NCTIJTVKXYFICD-SRZZPIQSSA-N 413.365 6.846 30 40 HKEB COc1ccc(NC(=O)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF)cc1Cl 3089758 PMDGQVMJRRYRDX-SECBINFHSA-N 415.664 5.068 30 40 HKEB COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/C=C/c1cccc([N+](=O)[O-])c1 3139395 JZKPPXOCVPPBNS-MLZQUUFASA-N 413.433 6.136 30 40 HKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/Cn1c2cccc(=O)c-2nc2ccccc21 3794641 APNRZHLOPQFNMR-WEIUTZTHSA-N 400.566 6.610 30 40 HKEB in-vitro COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(OC)c1 4417992 RDQURZAQBLJOIL-DEOSSOPVSA-N 401.487 5.570 30 40 HKEB Clc1ccc(N2CCN(/N=C\c3cccc(OCc4ccccc4)c3)CC2)cc1 5033888 ZIAVFDRZQDMGLS-ITYLOYPMSA-N 405.929 5.075 30 40 HKEB COC(=O)c1nc(N/N=C\c2ccc(Cl)cc2Cl)sc1-c1ccccc1 5511236 QVLKKPMFLDQCOA-FBHDLOMBSA-N 406.294 5.350 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)cc1 5824480 IJIANUKZJZQJBX-WGARJPEWSA-N 408.453 5.844 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2ccccc2o1 6479124 WMVLYAQIDGFPTD-UHFFFAOYSA-N 418.522 5.225 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 7495957 HMECAYOOCWAWFP-WNSKOXEYSA-N 415.880 5.698 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3Cl)c12 8231548 XCDRCMMUBRDBSZ-PKNBQFBNSA-N 410.304 5.986 30 40 HKEB COc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC 20195860 QACSMUUDIZWCSQ-WYMPLXKRSA-N 405.281 5.394 30 40 HKEB COc1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 33906608 GWZAMKMNJBNMTJ-QQXSKIMKSA-N 414.896 5.919 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 102800932 IRCWOZKJYUCHBH-JBCNATCCSA-N 403.865 5.275 30 40 HKEB O=[N+]([O-])c1cc(/C=C/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Br 104820406 SHNKDHXIGPBQOT-XJLXESQPSA-N 422.282 6.517 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O 226430321 LWQQLNNNIPYSNX-FDHVVQBWSA-N 412.614 5.091 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3Cl)c3ccccc32)c1 408540878 CHGQQXOWLVDRDP-WGARJPEWSA-N 402.881 5.880 30 40 HKEB COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1cccc(C(=O)O)c1 408815551 JTHPQLHUCJALRV-YUMHPJSZSA-N 411.457 5.876 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 408914169 TVRNKUHYYGJRCH-KBEOOMRJSA-N 419.377 6.706 30 40 HKEB C/N=C1/S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C 408930551 YMOSIDAXOGTADS-SRWYGHAPSA-N 409.942 5.183 30 40 HKEB CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl 408965690 XDWYJRHZCKOKSV-MHWRWJLKSA-N 423.321 5.292 30 40 HKEB Cc1ccccc1NC(=O)COc1ccc(/C=N\Nc2nc3ccccc3s2)cc1 409008579 YFOITOWLKSNMQM-OYKKKHCWSA-N 416.506 5.068 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1cccc(F)c1 409122480 ZMSUZSVEEJLGMB-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB O=C1C(SCc2ccccc2)=C(SCc2ccccc2)C(=O)c2ccccc21 1717344 HBUPFHHWQGUXOM-UHFFFAOYSA-N 402.540 6.144 30 40 HKEB CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1O 2075609 UBSSYDOYBWUFQK-OGLMXYFKSA-N 408.457 6.340 30 40 HKEB C(=C/c1ccccc1)\C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 2186468 MGBGHOVQTPJKHD-JOUPJCCWSA-N 407.481 5.470 30 40 HKEB CCCCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2395096 FEVORIHJRSOYJQ-UHFFFAOYSA-N 416.525 5.494 30 40 HKEB CCc1ccc(C(/C=C/c2ccccc2)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4738047 FBDPLGUAXJHTLJ-TWQKYRBXSA-N 416.437 5.595 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 9370473 UKOTXBXCAZCXER-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB COc1ccc(/C=N\c2ccccc2-c2ccccc2/N=C\c2ccc(OC)cc2)cc1 12420291 JKURSBUBEYCHAZ-NAZWXXJZSA-N 420.512 6.872 30 40 HKEB CCc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 13759150 RESNCGVKGUEMDB-UHFFFAOYSA-N 400.329 5.141 30 40 HKEB Cc1cc(C)cc(NC(=S)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1 35311715 LQPONSHZDWUCBU-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 58826844 RHXCSURABHCNAK-PKAZHMFMSA-N 417.578 5.374 30 40 HKEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224934229 KAIPERUYEINEEH-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB S=c1[nH]nc(-c2ccc(Cl)cc2)n1N=Cc1c2ccccc2cc2ccccc12 254558481 JVMRZQLFQQKKKW-UHFFFAOYSA-N 414.921 6.450 30 40 HKEB C=C(C)[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)CC 257446277 IMWBKGMKWXIXEQ-WXGZGPJHSA-N 410.686 7.721 30 40 HKEB endogenous,in-man C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 408937663 JIBQOJPJQVOUNL-FTQNGOQNSA-N 418.540 6.584 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3C)S2)cc1 408952221 LLXRGSJKICEIJE-RCCKNPSSSA-N 403.507 5.076 30 40 HKEB C/C(=N\Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(Cl)c1 409054276 UBTGOHCDMIHSBJ-UFFVCSGVSA-N 407.282 5.861 30 40 HKEB COc1ccc(/C(C)=N\N=c2\scc(-c3ccccc3)n2Cc2ccco2)cc1 1466372 AKAGYCRVBCCFFV-LZEYSGSQSA-N 403.507 5.191 30 40 HKEB CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)cc1 3082907 PQAVCNJMJBHJDR-AFUMVMLFSA-N 415.449 6.157 30 40 HKEB COc1ccc(/C=C/C(=O)c2cc(F)ccc2OC(=O)c2ccccc2C)cc1OC 4279072 QJGNQJBDXJSSSR-DHZHZOJOSA-N 420.436 5.267 30 40 HKEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)c1 6386111 UGOYKLMYYKWNCN-DEOSSOPVSA-N 413.517 6.058 30 40 HKEB O=[N+]([O-])c1ccc(CN2CCC(/C(S)=N/c3ccccc3)=C2c2ccccc2)cc1 6574893 BRKZANBDFQCSJO-UHFFFAOYSA-N 415.518 5.872 30 40 HKEB O=C1N/C(=N\C2CCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 9662256 HDKPEVUHDXKQOH-UYRXBGFRSA-N 420.563 5.103 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4cc(Br)ccc4O)ccc3O)nc2c1 13476650 ONUPZLOEMLFQPW-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\Cn1c2cccc(=O)c-2nc2ccccc21 14651289 APNRZHLOPQFNMR-PUBZQGQPSA-N 400.566 6.610 30 40 HKEB CCN(CC)c1ccc(/N=C\c2ccc(Sc3cccc4cccnc34)o2)cc1 15133772 UWJYJBCCGRZNDW-ONUIUJJFSA-N 401.535 6.576 30 40 HKEB Clc1cccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)c1 16399057 WMEFMLAYLODHCZ-RGVLZGJSSA-N 422.653 5.651 30 40 HKEB O=C1C2=C(N=C3C[C@@H](c4ccccc4)CC(O)=C3[C@H]2c2ccccc2)c2ccccc21 18145724 BEGJEBNQQIAQSS-NTKDMRAZSA-N 403.481 6.222 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1 19536409 PVFJCEPQSYORAH-JOCHJYFZSA-N 411.542 5.029 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100730849 PXKXUBYATLLJIS-JQYIIUTOSA-N 424.690 5.978 30 40 HKEB Cc1ccc(/N=C/c2c(Nc3cccc(Cl)c3)nc3c(C)cccn3c2=O)cc1 100815172 LZPSNUXBZOPIIF-AFUMVMLFSA-N 402.885 5.459 30 40 HKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102634470 CSHXGXPVOICVJD-ZRGHVXQMSA-N 411.542 5.268 30 40 HKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc2ncccc2c1 147189752 QCXSWPQNKMQKDR-NDZAJKAJSA-N 416.528 7.137 30 40 HKEB CCCCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408544595 VDQSJXDFIDUCSA-CVKSISIWSA-N 400.478 6.074 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 409120505 WCQDGFSZVGAUQC-UHFFFAOYSA-N 403.522 5.932 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 409212972 SQHBXCIHDBFMPO-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c(C)c1 409213805 VGIPVDMBFCDOLF-HTQRFZLASA-N 409.599 5.800 30 40 HKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 4603065 WIFLIZQTUVLDJW-MTDXEUNCSA-N 404.469 6.542 30 40 HKEB C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)/C(Cl)=C/c1ccccc1 4677747 ANTQNDYEADLRFC-MPMADDBASA-N 408.973 5.776 30 40 HKEB CCc1ccc2[nH]c3nc(N/N=C/[C@@H]4CC=C(CCC=C(C)C)C[C@H]4C)nnc3c2c1 5471567 GVWCFPPDEZEYPF-QOZRKGCKSA-N 416.573 6.185 30 40 HKEB O=C(/C(=C\c1cccc(Oc2ccccc2)c1)c1nc2ccccc2[nH]1)c1ccccc1 5642516 SIJPVVWXANHDFM-LYBHJNIJSA-N 416.480 6.779 30 40 HKEB CCOC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N 6089418 NAWOBJXDTUPGFT-OAHLLOKOSA-N 422.937 5.984 30 40 HKEB Cc1cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(O)c([N+](=O)[O-])c1 6500596 KKDAPQZFSKJAMC-FSJBWODESA-N 409.829 5.265 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C)nc2ncnn12 8452199 BKZVEZQSCKRTRS-UHFFFAOYSA-N 416.610 6.600 30 40 HKEB N#Cc1cc2c(nc1SCc1ccc(F)c(F)c1)CCN(Cc1ccccc1)C2 12376427 OTEMDNOFADTRFY-UHFFFAOYSA-N 407.489 5.082 30 40 HKEB CCOc1ccc(/N=C2\C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)cc1 12466916 FYSKFBMJPIDWJH-PHHYILGUSA-N 424.544 6.041 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)Oc1ccccc1Cl 17092120 WCTPUOWWMZWIAO-CQSZACIVSA-N 420.365 6.203 30 40 HKEB CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19973647 KDXBPMJIAVEQRI-UHFFFAOYSA-N 406.309 5.093 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 35045674 QSAXWXIANQUWCD-HXNPFYCNSA-N 412.558 6.614 30 40 HKEB COc1ccc(OC)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 101892097 BHBZYHBVPPOZLC-MYYYXRDXSA-N 420.534 5.647 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N\O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927787 PHNIGGIDTIGAAX-CRLRWHAYSA-N 401.679 7.938 30 40 HKEB Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1N1CCCC1 408847123 LQDJSSFPIMDBJS-HZHRSRAPSA-N 401.348 6.441 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408944726 UVKZDQQIGCVDRR-SACFXMDXSA-N 420.556 7.137 30 40 HKEB C#CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409048594 SLQDSHUPXKDGRN-UHFFFAOYSA-N 417.288 5.133 30 40 HKEB CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409094154 CZQDSJGXBFIDDJ-GZIVZEMBSA-N 422.190 5.765 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccccc1 409209292 IPFIDRQWDALTOP-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 729432 JFDHLSJSCLORCK-PPYUERFYSA-N 412.489 5.071 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 729675 CVMSTRYYZJICQN-HRFSGMKKSA-N 422.553 6.881 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1O 1413073 XUIZNACXPXQZGW-DDFZXGMKSA-N 402.947 5.889 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(F)cc2)cc1 1461568 PVQMZRZNJPODHU-SIBVEZHUSA-N 423.491 5.900 30 40 HKEB Cc1ccc(NC(=O)CCCC(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)cc1C 1613998 WUPLQMZSMTWYDP-GOSISDBHSA-N 403.309 5.596 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C 2231095 JSZAGANPOXBDTG-UHFFFAOYSA-N 414.870 5.271 30 40 HKEB C#CCOc1ccc(-c2nnc(Nc3ccc4ccccc4c3)c3ccccc23)cc1 2366806 QWWNNYWAKKUSCF-UHFFFAOYSA-N 401.469 6.206 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1 4286054 MVKUPKNFYDUEQH-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB Clc1cccc(Cl)c1/C=N/N=c1/sc2ccccc2n1Cc1ccccc1 4705112 BHYHLJHUOVFPFT-QWQJTBJWSA-N 412.345 5.993 30 40 HKEB COc1ccc([C@@]2(CC/N=C/c3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 4844292 PSIZCYKXAXCPTL-AUXZNKLVSA-N 411.542 5.048 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944875 XWRVJJFTZSALFH-LJQANCHMSA-N 423.484 5.007 30 40 HKEB CCCCOc1cc([C@@H]2[C@@H](C)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)ccc1OC 5792878 RDCAJBSGEZOONE-XYHYBEPMSA-N 413.521 5.500 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 8371904 WCGQYOCVYSJDPQ-DHRITJCHSA-N 400.305 6.640 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9087509 WXRADKAACARODO-FQEVSTJZSA-N 407.853 5.020 30 40 HKEB N#Cc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 9197031 JVIDJDUCJNVERW-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1 12919847 DTSWLEDAEMGZGD-DHZHZOJOSA-N 404.535 5.957 30 40 HKEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197210 NRJOQVSVZQKCPU-XMMPIXPASA-N 406.526 5.115 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccc(OCc2ccc(F)cc2)c1 83315775 OYRAMBAPKLKPDQ-STZFKDTASA-N 404.466 5.296 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 118913453 AMLPMOKTYSXKFI-ZGSMYEBOSA-N 408.561 5.924 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C 409111422 CNPIILNYQZLOOT-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409192214 AAFAYRABXMFBNP-YBFXNURJSA-N 406.850 5.713 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl 409201784 OBHLSGHPUHENDZ-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C(C)C 409210251 JKDQTZYYIFSWSC-PLISCHTNSA-N 423.365 6.343 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 409217994 GQHYVIXQPVWNHM-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB C=CCOc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409307474 UZYSLUXNMHYHNR-UHFFFAOYSA-N 421.928 5.545 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC1CCCCC1 2073113 YAHXSBKTZQHICJ-UHFFFAOYSA-N 418.993 7.613 30 40 HKEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[n+]1ccccc1 2108522 SYUGLBZIXVZTRT-DAANFHMWSA-N 422.589 5.500 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2cccs2)sc2c1CC[C@H](C)C2 4723888 PHWDDHNIVVRGIB-WQEJZQBCSA-N 410.564 5.946 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21 18099625 OITRELBDKAVYGX-UHFFFAOYSA-N 407.514 5.105 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1 96425648 AXZFIFAFQZAUAT-CCVNUDIWSA-N 416.307 7.909 30 40 HKEB O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 100409837 ODAYAWQNTRHJKC-MDISCOTOSA-N 419.525 6.244 30 40 HKEB S=C(N/N=C\c1cccc(OCc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 104099007 HYKDFLSUZPTTJJ-QQXSKIMKSA-N 419.594 5.032 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 408740958 FRULPIIVZURLDE-YDZHTSKRSA-N 411.299 5.394 30 40 HKEB Cc1c(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C)C3=O)o2)cccc1[N+](=O)[O-] 409164182 DQYKKBWTQVIXGW-SAPPFYIZSA-N 419.462 5.397 30 40 HKEB CC(C)Oc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 2188179 AYOZLLGXNVACTQ-HHHXNRCGSA-N 411.545 6.937 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1COC(C)=O 4063904 TZJIRGRAEOHQEY-VSYWRSJOSA-N 402.531 5.227 30 40 HKEB biogenic O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 5252454 IWUOYBOYNSPSDX-IAGONARPSA-N 407.296 6.786 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CC 5552133 PLGYVNAXIJZOEC-QFGKFHJGSA-N 400.931 5.231 30 40 HKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1O 6449783 QKLPGJPAOTUOEF-GNYKCMPYSA-N 422.366 7.010 30 40 HKEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1c[nH]c2ccccc12 6473779 HVWAOLILOIWEKK-WGOQTCKBSA-N 420.480 5.286 30 40 HKEB CCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(-c3cccc(Cl)c3)nn21 6732517 JOLLHIRKGDNMJQ-NRFANRHFSA-N 420.900 5.019 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1C 6861264 HYOGUKXUVSNUGK-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB CN(CCC#N)c1ccc(CNC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 8724458 OOBVJHXPJNCSTB-QHCPKHFHSA-N 414.578 5.501 30 40 HKEB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccc(Br)c1 8821161 KVUUQIOKFSSZEC-AUWJEWJLSA-N 411.683 5.133 30 40 HKEB N#CCCn1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 9470529 UFGPPGPAUNEAMB-ZHACJKMWSA-N 424.504 5.116 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O 13682459 JOHILLVRZUKSPG-NDENLUEZSA-N 420.336 5.937 30 40 HKEB Cc1ccc(O)c(/C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)=N/O)c1 16284617 JPSRVTMNOYPXIS-LHLOQNFPSA-N 416.502 5.993 30 40 HKEB [N-]=[N+]=N[C@@H]1CCCCCCCCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16385842 GCUGLPUBGZZLTN-MURKYSCBSA-N 403.443 5.864 30 40 HKEB COc1ccc(OC)c(/N=C\c2ccc(/C=N/c3cc(OC)ccc3OC)cc2)c1 17063331 UFWBWAPCZZHREP-WFOJNGAISA-N 404.466 5.222 30 40 HKEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1 18192174 TVCGEWCZJMRSLF-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820470 ISYZAVMHNNGNDC-UHFFFAOYSA-N 408.958 6.432 30 40 HKEB Cc1cc(O)c(CN2C[C@H](C)C[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20625204 YUNMJVNLVISFQA-WYIUDDKKSA-N 417.505 5.541 30 40 HKEB CCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 59484175 AVGFPCVMWOKRPX-UHFFFAOYSA-N 421.581 5.839 30 40 HKEB CC(=O)N(c1nc(/C=C2/CCc3ccccc3C2=O)cs1)c1ccc(F)cc1F 96924445 PNFGILIPRFKFGU-GDNBJRDFSA-N 410.445 5.318 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 100502926 ASKREDZUGLOJGJ-FSJBWODESA-N 407.267 6.022 30 40 HKEB CCCCCCCCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 100707791 POXWMEIHPFTDJD-RVDMUPIBSA-N 405.365 7.629 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C(C)=O)cc1 101620527 BUCPYWKSCJQBJY-BEIQUOEZSA-N 423.563 5.273 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 102574842 OENPMZABHUKSMV-MOBKVPTQSA-N 407.510 5.006 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 102612750 MNHGMOPQHDUKSV-AYWGPLOBSA-N 420.553 5.063 30 40 HKEB Oc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408851393 YQQPJSYFTBYQFB-JMIUGGIZSA-N 408.704 6.303 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c(OC)c1 408936013 JNUFGYRUNHKIIM-LIZPKOKISA-N 410.517 6.281 30 40 HKEB N#CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408970739 CUQIVRFVNJLGTH-RGEXLXHISA-N 421.378 5.091 30 40 HKEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1O 409084033 WFVFFSYMBAEADZ-HUIWRNEVSA-N 416.930 5.314 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409203547 XUDFDXWUBCXCLB-LGJNPRDNSA-N 423.896 5.993 30 40 HKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)=O 409210283 JCAQSNAUZNKNSY-VHQYDUIRSA-N 424.566 5.845 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 409340225 SMUXMSIBJDDYLF-ODLFYWEKSA-N 422.918 5.877 30 40 HKEB Cc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C(C)C 409404745 QWVWPFHIJBMVGX-UHFFFAOYSA-N 420.516 5.790 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 2194429 UNKZUWQHQHKIIQ-LFIBNONCSA-N 405.306 5.450 30 40 HKEB CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCCCCC 2400984 NIQLGUJQAPGADM-UHFFFAOYSA-N 419.573 5.845 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 2644488 ZFNFZMQPQLIAES-UHFFFAOYSA-N 405.857 5.038 30 40 HKEB COc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1OCc1ccccc1 3222303 RMRPFPRGZRUICT-MFKUBSTISA-N 419.550 5.212 30 40 HKEB CC(C)(C)C1=CC(=Nc2ccccc2-c2nc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O 4323087 KEZPDAVVGVYFHV-UHFFFAOYSA-N 411.549 6.830 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccc(C)c1 5500194 LOEJGLBVMCVLKN-UHFFFAOYSA-N 406.555 5.041 30 40 HKEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1Cl 9699180 WOSPZNNFEHIQSK-UHFFFAOYSA-N 417.321 5.118 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 23055305 LYXAWHFQYXQSKX-NYYWCZLTSA-N 415.533 5.746 30 40 HKEB CCCCCCCc1ccc(-c2cc(C(=O)O)c3c(Br)cccc3n2)o1 97944417 URXOWIWTLDQSNP-UHFFFAOYSA-N 416.315 6.468 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Br)cc1 409090244 LMYMHRLPZBUHNN-AFUMVMLFSA-N 410.355 6.373 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409210836 MSVZDKWRWGIFAA-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(Br)c3)c2C#N)C1 409218893 XVQYYDBUXDMQSV-GKGMIHAQSA-N 401.373 6.284 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C)c(Cl)c3)c3ccccc32)o1 409389577 CCFIUYDKXZJNKG-BRJLIKDPSA-N 406.869 5.782 30 40 HKEB Cc1ccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)cc1 715881 TUTMOOHVIDBJJE-UHFFFAOYSA-N 403.507 5.131 30 40 HKEB C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 4104913 CZNBRGKOCBBHEM-MXHJOJKJSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro Cc1ccc2cc(C)c(N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 4834807 ZXGDVOCVBNBJSU-JFLMPSFJSA-N 403.570 6.598 30 40 HKEB Cc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)c(C)c1 4856127 IKOWLKHOWKCSEO-RQZHXJHFSA-N 415.606 7.088 30 40 HKEB COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@@H](C(C)(C)C)CC2 5481482 MZWGBCGXXAVNMK-ZDUSSCGKSA-N 400.569 5.098 30 40 HKEB CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 6050593 WSBYQEVJNUZPHX-AWNIVKPZSA-N 411.567 5.127 30 40 HKEB N#Cc1ccc([C@@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 6190394 RHUNKJLQGXAPNB-QHCPKHFHSA-N 422.513 5.566 30 40 HKEB COc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2C)c1O 6200577 INWVHUMRBXTWPT-WYMPLXKRSA-N 408.910 6.390 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 8811698 ORICYNMNRKZZLV-CVKSISIWSA-N 409.917 5.048 30 40 HKEB O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O)OCc1ccccc1 9476591 LCXQKVDESTYNDD-UUYOSTAYSA-N 420.848 5.078 30 40 HKEB C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 12567042 LERYYDSIWNOCME-LIMNOBDPSA-N 403.647 6.228 30 40 HKEB COc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1 12773286 PFQAMAGSGMLVRV-VQHVLOKHSA-N 414.433 5.011 30 40 HKEB C=CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2)cs1 13014247 ZUKGQPOWBCJQDJ-OAHLLOKOSA-N 423.925 5.322 30 40 HKEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 13777751 RZZUEOKHZNCNBD-STZFKDTASA-N 403.865 5.572 30 40 HKEB FC(F)(F)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c1 17885600 GIJIOLGRUWWULN-HZUVFDMRSA-N 420.356 7.225 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2)cc1 18066034 WHZZBVLJDAWOPK-UHFFFAOYSA-N 407.502 5.580 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(N/N=C/c3ccc(Cl)c(Cl)c3)o2)CC1 27562567 FUUNHCVJXOGOAH-DHRITJCHSA-N 419.356 6.763 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 57478230 DKKNOHYQCWKPAZ-SFHVURJKSA-N 414.288 5.125 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 59483152 BIMVMQGFFZGDJF-DHRITJCHSA-N 408.288 6.302 30 40 HKEB CCCCCCCc1ccc(/C=C/C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 100165815 OKBUNDICCAGKCP-LTGZKZEYSA-N 422.572 7.435 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@H](C)CC1(C)C 198100791 CUDKZUXYXANFPF-QZCBGFPPSA-N 405.586 5.694 30 40 HKEB N#Cc1ccccc1CO/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408596826 VGGWGGXOVDDOBJ-MUFRIFMGSA-N 410.448 5.980 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)c2ccccc21 408908407 DVHRXDPRRMLKSM-LBMUFILHSA-N 401.535 5.760 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Cl)c1O 408909957 FTJRQMGQWFIVED-UXTWZOPHSA-N 416.930 5.375 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 409110337 URTTWMWPQRODQQ-UHFFFAOYSA-N 403.522 6.014 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OC 409208126 BCYQIEGGIUAHRY-DJKKODMXSA-N 415.658 5.021 30 40 HKEB Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409209137 FZZLYNCABXXOKJ-WGARJPEWSA-N 406.913 6.033 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1O 409210866 LHAXSXPQCFJFHS-DOQYOOLYSA-N 413.499 5.144 30 40 HKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1 409229802 VEORWYKWCJTXEP-WGOQTCKBSA-N 416.864 6.372 30 40 HKEB C=CCn1c(C)c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409400672 ALOXTMQMTJTTMQ-UHFFFAOYSA-N 418.500 5.395 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1 2426238 JBFRAPOBZBIHAP-FMCGGJTJSA-N 420.848 5.227 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)ccc2o1 3083440 XZBIPODLKLKRAK-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 3150533 DGXXLLAHFJNUAY-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB CCCCOc1ccc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3o2)cc1 4908546 OZQCGLJJOBGCAN-SILNSSARSA-N 417.530 6.800 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/Nc1ccnc2cc(Cl)ccc12 12654866 PNCLOCCGWGEWOW-OPEKNORGSA-N 414.271 5.621 30 40 HKEB N=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[C@@H]1c1nccs1 33794959 WWWQESBXVBDMTD-ZJVAWHCLSA-N 421.330 6.128 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1ccc(SC(F)F)cc1)c1ccc(F)cc1 102501907 OHUBAOYEFMDZKW-LHLOQNFPSA-N 412.436 5.748 30 40 HKEB CCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)s1 104612392 YKVUZJKYQRGUDQ-OADBCFLWSA-N 404.988 6.224 30 40 HKEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614950 DRVQFEDNGFQANW-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB C=CC[N@+](C)(C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 245239859 GETBUQMZUFEKDG-UFHPHHKVSA-N 416.670 6.105 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 408765379 LKFHKSWSGAYMCD-JCMHNJIXSA-N 416.502 5.166 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(C(=O)O)cc3)cc1)N2 408933833 BNVBALBHLHNPEJ-OYKWSXSVSA-N 408.501 6.270 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl 409018984 ZTOMPMRPOPKNCP-DCMOEJRUSA-N 403.909 7.681 30 40 HKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc(Cl)c1)CCCC3 2299863 PRRDWPZZUPKACL-LSHDLFTRSA-N 404.691 6.184 30 40 HKEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1 4151011 UFWDHOXDNJUOQZ-DWACAAAGSA-N 408.545 6.537 30 40 HKEB C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Cc2ccccc2)cc1 4957165 LRKIZADSDGZAFP-VFCFBJKWSA-N 411.574 6.854 30 40 HKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 9434969 SBEBFYCAJACXPG-WSDLNYQXSA-N 401.919 5.707 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1O 16228151 RWLXUQJQHQHEII-ZVHZXABRSA-N 406.507 5.344 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 17093819 VGCHNBHNFMULAT-SECBINFHSA-N 424.378 5.178 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34165715 NCHPULCZWCKWHV-OLSNINGUSA-N 400.647 6.568 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)cc1 85910679 SXXOKKBSVARFFB-BSYVCWPDSA-N 416.646 8.210 30 40 HKEB endogenous,in-man CCCCCCCCCCCCCCCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] 104103086 SYMPNUSVNHJJER-COOPMVRXSA-N 423.641 9.329 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225766078 IBYQHLSQXOPXCT-UHFFFAOYSA-N 410.945 6.087 30 40 HKEB Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(I)cc1 408783822 NKUXRYIACDUCKH-MTJSOVHGSA-N 416.262 5.155 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C(=O)N1CC 408930553 YNWMLUFUXLIUBM-XAFFKLEKSA-N 424.614 5.252 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc2ncccc2c1 1027642 XLDGHWIBOVCLJB-AWQFTUOYSA-N 406.077 5.216 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 1770763 DOGWGECSVUGJOC-UHFFFAOYSA-N 414.621 5.683 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2272396 FNYZLTVZJVIBKC-KRWDZBQOSA-N 424.635 5.935 30 40 HKEB C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CCc1ccccc1-3 2334662 KNPDPBGRWGDALZ-UHFFFAOYSA-N 410.608 5.938 30 40 HKEB Clc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 5003436 ANXCEZKUHPWZQX-BUVRLJJBSA-N 415.888 5.458 30 40 HKEB CC/N=C1\S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1CC 5552142 OHWWLJQLWNZTIB-PDFVYNHPSA-N 405.317 5.021 30 40 HKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N\Nc1ccccc1 5737345 DXURXMNUYLDWJK-QQXSKIMKSA-N 406.445 5.092 30 40 HKEB Cc1cccc([C@H]2C3=C(Nc4nn(-c5ccccc5)c(O)c42)c2ccccc2C3=O)c1 6132000 DUBHLSOYHLJNJM-FQEVSTJZSA-N 405.457 5.051 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 8362985 XYFFYYNANJCGFK-CUNGHOPLSA-N 401.329 5.381 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C/c1cc([N+](=O)[O-])ccc1O 8397423 PFFGGLBXIIDOSB-XTCLZLMSSA-N 418.622 7.981 30 40 HKEB CCOc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 8614964 ZURRRSALWLIBEB-UHFFFAOYSA-N 415.449 5.836 30 40 HKEB aggregator C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OCCCC)cc3)cc21 8959538 KSHCWYQIRQQRCD-UHFFFAOYSA-N 422.525 5.055 30 40 HKEB C=CCn1c(SCc2csc(-c3ccc(OC)cc3)n2)nc2ccccc2c1=O 9126112 GNOKFFFHRFZRQD-UHFFFAOYSA-N 421.547 5.007 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 9174865 CWXAJJDYCARQKU-XKVZMTQCSA-N 413.448 5.317 30 40 HKEB CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O 22612075 FYQQKZCNQPJUEF-VULFUBBASA-N 417.534 5.033 30 40 HKEB CC[C@@H]1CCCCN1c1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 32594140 SCRBXJCMVYNMPA-LJQANCHMSA-N 421.928 6.215 30 40 HKEB C/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1cccc(Oc2ccccc2)c1 102960233 FLTZVRDYCNRTJS-PHZOILHFSA-N 403.482 5.561 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1O 106688495 LONGATMRJDSCCH-WQRHYEAKSA-N 415.898 5.019 30 40 HKEB C/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 215997822 MIEYGLYKERILQG-IHWYPQMZSA-N 410.120 5.937 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 222063001 HQAJQAYXHNEXMQ-UHFFFAOYSA-N 404.348 6.441 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226321864 BFWKPALNJSVWEW-UHFFFAOYSA-N 404.076 5.669 30 40 HKEB CCCCCCCCOC(=O)c1ccccc1C(=O)O[C@H](C)CCCCCCCC 230656646 BERJMGOMZBTNDD-JOCHJYFZSA-N 418.618 7.500 30 40 HKEB O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(Br)cc1 260840621 NHMDIPUTCUGJRG-OZKVFTRCSA-N 406.283 6.673 30 40 HKEB CCn1c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)nc2ccccc21 408692356 KQDYKKGGYUGDTG-MFKUBSTISA-N 410.481 5.256 30 40 HKEB COc1cc(C)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1C(C)C 408862176 GAQSJRCVTRCCGN-JMIUGGIZSA-N 414.958 5.980 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1O 408915183 XDNJKWKJWHETBX-LPCFMYKTSA-N 422.550 5.646 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408939984 SZDPSAQMJJGGFC-OUUXDWEYSA-N 422.528 6.359 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 408968121 UHZDHAMFJONIHL-OVVQPSECSA-N 402.538 6.364 30 40 HKEB Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C2CC2)c1 3313179 BQDOPMHESQMRIJ-CPSPCKPPSA-N 421.566 5.043 30 40 HKEB COc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc1OCc1ccccc1 4920945 MMNZOQBJEQEBLY-ZMOGYAJESA-N 410.857 5.072 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C2/C=C(c3ccccc3)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 5340156 PAZRWZCIHGKQQI-AXVPLRHPSA-N 414.421 5.542 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC 6411641 BPZHVAGUXRPNKX-FMIVXFBMSA-N 404.462 5.188 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(Cl)cc1 7966381 ZLUYFNMSWUVVGT-UHFFFAOYSA-N 400.329 5.359 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 9049804 CQEGDIMZQORZNL-NZTCXJKESA-N 410.469 5.960 30 40 HKEB COc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1 12756018 FTZMOZCDVJZZSN-HKWRFOASSA-N 415.445 5.277 30 40 HKEB C1CCC(N=C2N(C3CCCCC3)C(=NC3CCCCC3)N2C2CCCCC2)CC1 31842282 LRPQGJDBBJVAQC-UHFFFAOYSA-N 412.666 6.647 30 40 HKEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc(Cl)cc1Cl)=C2 49544027 NQPCPSPVFNPMRN-UHFFFAOYSA-N 420.336 5.501 30 40 HKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 59193767 IUSBNOWVGMHFMB-LIMNOBDPSA-N 416.255 6.582 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 102957344 TVCSBZRVLIZVFB-JVWAILMASA-N 413.452 5.606 30 40 HKEB C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@@H]12 118931033 VZIGRTXYYCCTRR-QKUKPTSISA-N 400.691 7.635 30 40 HKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253534296 LFBOEUGQWILAMO-AEVDHPPFSA-N 406.566 5.581 30 40 HKEB CCN1c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 260569759 RSQBPOKEFNIZJX-DRIWLZCMSA-N 417.578 5.942 30 40 HKEB COc1cc(-c2ccc(N=Cc3ccccc3)c(OC)c2)ccc1N=Cc1ccccc1 299888481 KYYSHXFJTBPOCB-UHFFFAOYSA-N 420.512 6.872 30 40 HKEB Cc1sc2nc(-c3cn(Cc4ccccc4C#N)c4ccccc34)nc(O)c2c1C 408735564 UISUSPPUNIIRIO-UHFFFAOYSA-N 410.502 5.555 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OC 408759654 ITPBFKOVLXVJJP-PDGQHHTCSA-N 416.930 5.201 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4cccc(Cl)c4)o3)c2C#N)C1 409083588 SZBNFKGZUPYWSP-JZNDDVEWSA-N 422.981 7.435 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409209180 GPYKJFSCPIOORB-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@H](O)C[C@H]12 2002106536 RDCBMNFSJFALPG-SIAJCNBNSA-N 416.602 5.242 30 40 HKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1102630 PWIWAOBNEBETFB-QFIPXVFZSA-N 400.547 6.157 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 1434803 VAHFXAKKGRJRCZ-WGDIFIGCSA-N 416.471 6.253 30 40 HKEB COc1ccc(C2=C3C(=O)CC(C)(C)C[C@H]3c3c(ccc4ccccc34)N2)cc1OC 1439900 HQALDWQZFJSRSZ-IBGZPJMESA-N 413.517 6.167 30 40 HKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc2ccccc12 2325445 XDNGBQMZXIHSRB-UHFFFAOYSA-N 420.563 5.000 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@@H]3CC[C@@]21C 4061009 OZJGJSHDHAGQJH-KYNPQDLTSA-N 400.647 6.568 30 40 HKEB biogenic COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 4498656 YJFYAMFPNGQGJZ-WGLQLPMYSA-N 405.885 5.339 30 40 HKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1cccc2ccccc12 12403884 MKBCWUQQTRBHST-QLYXXIJNSA-N 411.490 5.154 30 40 HKEB C=CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 15082350 MWRCAOCPSKYHLN-QGZVFWFLSA-N 423.465 5.291 30 40 HKEB O=[N+]([O-])c1ccc(SN(/C=N/Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 16477867 WPGZBKVOPJQYOY-CJLVFECKSA-N 422.466 5.241 30 40 HKEB CCCCCCCCCCCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC 97944411 CLFJLVOINPNNSR-UHFFFAOYSA-N 410.580 5.192 30 40 HKEB c1ccc(/N=C2\Sc3nc4cccc5cccc(c54)n3\C2=N/c2ccccc2)cc1 103951378 DXLHLMAHDYNHRB-QXKKBDLUSA-N 404.498 6.604 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC 408555690 HFKHWNJHVLJTKL-UHFFFAOYSA-N 417.130 5.941 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc2ncccc2c1 408967546 UAKNPKKRLOEFDI-ZMFRSBBQSA-N 403.869 5.745 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409049830 XWNCYTSGQLBCJW-ZMOGYAJESA-N 423.856 5.325 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409219430 QLFPMOQKFYVJCH-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc2c1 786904 PLNFHHACKAXBHR-UHFFFAOYSA-N 402.306 5.453 30 40 HKEB C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2187627 VJUYLSQXXGCKRU-UHFFFAOYSA-N 405.501 5.778 30 40 HKEB COc1cccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1 3116057 MRNNRHANFLOMKV-YDZHTSKRSA-N 407.267 6.017 30 40 HKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(N3CCCC3)cc2F)S1 4678135 ZARUWBAYPRKHIX-YBFXNURJSA-N 415.921 5.279 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3O)nc2c1 4756414 QQFBTAMKYUVDKQ-FSJBWODESA-N 403.394 5.127 30 40 HKEB COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1OC 4979340 JZFLKXHNTPSEND-JXAWBTAJSA-N 401.487 5.737 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5551322 DOPPEJKRCODCFT-YVLHZVERSA-N 405.306 5.450 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(Cl)c1 8559391 RPLJWWQFUYLEOH-QHCPKHFHSA-N 417.940 6.170 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 8614963 PXTDXLXAKORCAT-UHFFFAOYSA-N 401.422 5.446 30 40 HKEB aggregator CCN(CC)c1ccc(/C=N/Nc2cc(C)nc3ccc(C4CCCCC4)cc23)cc1 16942314 BDOZTUAHIKVCSK-TURZUDJPSA-N 414.597 6.883 30 40 HKEB CCCCCC(=O)/C=C/C[C@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] 16998546 AEBLDRQVETTYBH-ZHJOWBGWSA-N 410.555 5.217 30 40 HKEB Fc1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59248140 CHRVPMBYNITZPI-UFFVCSGVSA-N 410.695 6.736 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccccc3Cl)c(C)c2s1 72228595 OQKSABMRZKKRCL-MSXFZWOLSA-N 400.935 6.017 30 40 HKEB C=CCc1ccc(-c2ccc(C3CCC(CCCCCCCCC)CC3)cc2)nc1 97949646 NSFHTRGZDMAWSC-UHFFFAOYSA-N 403.654 8.892 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCOCc1ccccc1 100029028 LYWJMLVVNCUIIR-UHFFFAOYSA-N 417.678 7.581 30 40 HKEB biogenic C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=S 408807548 CQNIIKORTPFDLA-ZHZULCJRSA-N 410.608 5.779 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3c4ccccc4cc4ccccc34)C(=O)N2C)cc1 408905956 GQESFAYHFCLRJD-YCJCGMCGSA-N 408.526 6.535 30 40 HKEB O=C1C(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)c2ccccc21 408915131 VBCJJPJXHRESJV-UHFFFAOYSA-N 419.274 5.491 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409216525 IYTYGZLABCDOGA-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCC(Cc2ccccc2)CC1 730247 UOIITCILJGKPKK-UHFFFAOYSA-N 407.901 5.238 30 40 HKEB CC1=C(C(=O)C2=CC=CCC2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 1069475 VJARJCMOXUYEGW-QFIPXVFZSA-N 401.897 5.824 30 40 HKEB CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 1076994 RHFXJVJALNCPPU-KMRXNPHXSA-N 424.544 6.373 30 40 HKEB C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S 2237892 PUBYHTVKVPEPNN-NDENLUEZSA-N 424.978 5.730 30 40 HKEB O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 2556127 KVQXSYNQTRCZHV-AATRIKPKSA-N 413.540 6.837 30 40 HKEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Oc3ccccc3)c2)cc1 5900449 RIZXSLZNSYQLEC-LFVJCYFKSA-N 416.506 5.681 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] 8559409 MIZQTMHBGVLQGW-PSLXWICFSA-N 414.465 5.035 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13043421 NHNDBYBGIMGBNV-JOCHJYFZSA-N 406.913 5.255 30 40 HKEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 13682046 CBRAYPBMHXLXPN-LSCVHKIXSA-N 421.276 5.330 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(C)cc1 13756825 JJVWZSTUZBJBMF-RWPZCVJISA-N 421.331 6.748 30 40 HKEB CC(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 16958788 UPGZTEULWWKXKO-UHFFFAOYSA-N 422.558 5.175 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 17093823 SDUOSXUHTDIXAL-SECBINFHSA-N 424.378 5.178 30 40 HKEB C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](O)CC[C@]2(C)[C@@H]1Cc1c[nH]c2ccccc12 31163978 SYFJYRUTNACAQV-IPTPSVHJSA-N 405.626 7.207 30 40 HKEB biogenic,in-vitro CCc1ccc(C(=O)C2=CN(c3ccccc3)c3ccc(F)cc3S2(=O)=O)cc1 32950842 VOPAVEMFFFJZHH-UHFFFAOYSA-N 407.466 5.038 30 40 HKEB CSc1ccc(NC(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35291947 ZIZHIFDTGUZYSG-UHFFFAOYSA-N 419.554 5.069 30 40 HKEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 59137317 KBPZBLNQKLSDAS-XKZIYDEJSA-N 419.525 5.687 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2Cl)c1C 408960638 NJUJDJLLIGUXMU-VULFUBBASA-N 408.929 6.156 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409215118 ZZBCSBZXUBFRKP-XCIVBZDSSA-N 413.499 5.252 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(Oc4ccccc4)c3)c2C#N)C1 409216248 JEMTXFOTOCZICU-JTOGBTRBSA-N 414.574 7.314 30 40 HKEB COc1ccc(C(=O)/C=C/Nc2ccc(Oc3ccccc3Cl)cc2)cc1OC 664361 QKYWCDKVOLZIBL-BUHFOSPRSA-N 409.869 5.958 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccccc2OCc2ccccc2Cl)c1C#N 4797930 WXBYJMJIENGQQM-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2ccc(F)cc2)o1 5543130 YKMSMPJZRGIFTR-PKNBQFBNSA-N 403.365 6.150 30 40 HKEB Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(=O)/C=C/c1ccc(N(C)C)cc1 5552238 LRJMLKFKRPSWMW-AWNIVKPZSA-N 408.483 5.065 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195672 GNICLEYSXSELNX-LSFURLLWSA-N 424.671 5.939 30 40 HKEB O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 12957973 KSLIHVZBHPNYQZ-ZBKNUEDVSA-N 416.102 5.287 30 40 HKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)cc1 13653591 TZMBZXSRRNWVJU-HAHDFKILSA-N 404.506 6.086 30 40 HKEB COc1ccccc1/C=C1\S/C(=N/c2ccc(C)cc2)N(Cc2cccs2)C1=O 14359129 AIFBFOCZSLRBGN-WRKLRJIISA-N 420.559 5.869 30 40 HKEB CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=S)NC1=O 33354668 SOWGMLVBBPPTEU-UHFFFAOYSA-N 423.667 5.252 30 40 HKEB N#CCCSc1ccccc1NC(=O)CCCc1ccc(Br)s1 95953599 NKDBAOISBRKCKE-UHFFFAOYSA-N 409.374 5.478 30 40 HKEB Cc1ccc(CN2CCN(N=Cc3c4ccccc4cc4ccccc34)CC2)c(C)c1 253617025 ZKNBWFMWALNMPJ-UHFFFAOYSA-N 407.561 5.762 30 40 HKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 408856721 DGEKQCQGGIGDSD-CVKSISIWSA-N 420.534 5.465 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 408870318 VUQDDAYWCUHHHF-UEUDXMDBSA-N 420.578 6.268 30 40 HKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965022 FLIIVUFPAVGOLP-MFKUBSTISA-N 409.371 6.905 30 40 HKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1cccc(F)c1)Nc1ccccc1 409370267 NXZRSKTVWOJNHA-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(O)c2)C2=C1CC(C)(C)CC2=O 780234 ISGWLJREANYMNB-UHFFFAOYSA-N 407.554 5.488 30 40 HKEB CCN(CC)c1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1 2060347 NEFRBHUQPZFFFW-UHFFFAOYSA-N 423.670 7.297 30 40 HKEB N#C[C@@H](c1ccc(Sc2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl 3117029 WXCIQILFGVFRPM-OAHLLOKOSA-N 406.725 6.243 30 40 HKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 3158309 MLMGHCBKCISDEJ-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB CCN(/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CC 4673164 MDAUIMCTCKYTDD-WGOQTCKBSA-N 403.482 5.504 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 4891964 IEMHYWIOAFLCHT-UHFFFAOYSA-N 404.844 6.585 30 40 HKEB C=C(C)CSc1nnc2c3sc4nc(CCC)c5c(c4c3ncn12)CCCC5 5067187 OLCPBNZMKLAMJW-UHFFFAOYSA-N 409.584 5.387 30 40 HKEB Clc1cc(Cl)c(N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 5603365 XDJVVWBTKKYYAF-WYMPLXKRSA-N 405.712 6.672 30 40 HKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1 6587720 JIFQGLNTZLBJRQ-DEOSSOPVSA-N 419.550 5.057 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1Cl 9196571 IUZITFQGNOYVMO-OPEKNORGSA-N 420.771 6.486 30 40 HKEB Cc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2-c2ccccc2)cc1 9668985 RGTWQGLMUNTNAW-UHFFFAOYSA-N 410.502 5.089 30 40 HKEB Fc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 10119005 UAOOSDFCHVQZDO-LGJNPRDNSA-N 403.284 5.835 30 40 HKEB Cc1ccc(N2C(SCC(=O)O)=N/C(=N\c3cccc(C)c3)C23CCCC3)cc1 12447757 GVWNAIOGFQDCOH-FLFQWRMESA-N 407.539 5.340 30 40 HKEB Cc1cc(C)cc(O[C@H](/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 17014297 KLUSZYSLMARHPA-MRUVXERFSA-N 400.435 5.011 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Cl)c1 18195397 YHSVWBSCXKNLFJ-IBGZPJMESA-N 419.912 5.020 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3ccccc3S2(=O)=O)cc1 32984176 AGHXUOZTOLWOFO-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 98001626 RUCRANXFIYJBTG-LOSJGSFVSA-N 407.727 8.579 30 40 HKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 118916007 ZXGJYVCSCCHJLY-HNNJXLFBSA-N 410.602 5.177 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(N(C)C)cc1 408739811 FWJNSNGEIYSGEP-CVKSISIWSA-N 402.567 5.723 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 408884437 UKKKCPOJZUWBCQ-DIMVSMHCSA-N 402.563 6.426 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccccc1 408930571 YXPCDZYNKRSSSR-BWRKVRLCSA-N 423.582 5.173 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 409209909 GWBIAZGIARACQD-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB O=[N+]([O-])c1ccc(CO/N=C/c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)cc1 3028667 MJGYJRNGPAJYPP-LPYMAVHISA-N 423.450 5.346 30 40 HKEB CC[C@@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(Br)cc3)cc2)N1 4880775 STTCHIFAKPRKIP-UPKKBRNCSA-N 415.356 5.448 30 40 HKEB C[C@H]1CC2=C(C[C@@H]1/C=N/n1cnc3c([nH]c4ccc(F)cc43)c1=O)C(C)(C)CCC2 5024992 PYRYQEDXBYQROD-GKHJIAMPSA-N 406.505 5.404 30 40 HKEB Oc1ccc(/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1nc2ccccc2o1 5605057 UBWOESAWQARTQO-WGARJPEWSA-N 414.848 6.864 30 40 HKEB CC[C@]1(C)/C(=N/c2c(C)cccc2C)NC(=S)N1c1ccc(Cl)c(Cl)c1 6026756 SEOAXOFNMYKLOF-HXUWFJFHSA-N 406.382 6.204 30 40 HKEB Oc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 6149924 MEVQYEXLTMCTDE-RMORIDSASA-N 414.317 6.422 30 40 HKEB Cc1oc2cc(OC/C(O)=N/c3ccccc3F)ccc2c(=O)c1Oc1ccccc1 8990681 VXDVEYXKWHPMQI-UHFFFAOYSA-N 419.408 5.700 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 12861642 UYZOSKCWXUQPGR-FUPWBYONSA-N 410.469 6.045 30 40 HKEB biogenic CC(C)N1C(=O)/C(=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 100322626 GESSNCVQMRCEFI-BUVRLJJBSA-N 416.230 5.583 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 101077093 IMSSRGIFAJHZSJ-HIXSDJFHSA-N 406.829 5.247 30 40 HKEB COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1 408965923 KBCBOQWFVVOHKN-YUMHPJSZSA-N 411.457 5.876 30 40 HKEB Clc1cc2c(cc1/C=N/c1nc(-c3ccc(C4CCCCC4)cc3)cs1)OCO2 408979498 RDSIVIXCWZNMKH-BRJLIKDPSA-N 424.953 6.991 30 40 HKEB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2C#N)c2ccccc21 409109799 LRRRXZPLWFPNRC-IWIPYMOSSA-N 408.501 5.680 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 409219995 XBHMLMXYQRSMDP-WGOQTCKBSA-N 409.913 6.467 30 40 HKEB N#Cc1c(NC(=O)/C=C/c2ccccc2)n(C2CCCCC2)c2nc3ccccc3nc12 2276319 JPEDHMCDQURWMM-FOCLMDBBSA-N 421.504 5.613 30 40 HKEB CCCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2650830 HMQRYZOYQRENBI-UHFFFAOYSA-N 416.333 6.045 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12 4073334 FXEGUDBXZJXLRM-HROMDODWSA-N 409.545 5.229 30 40 HKEB biogenic Cc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCCC3)c(C)c1 4553648 GXIQYHCFXMWRDE-VULFUBBASA-N 406.526 6.386 30 40 HKEB Cc1cccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2cccc(C)c2)c1 4611381 OXXRQEJTBZLUJK-YWROOUKNSA-N 400.503 5.818 30 40 HKEB C=CCNc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)s1 5785796 ODZIKYBCIHPNET-UHFFFAOYSA-N 412.565 5.058 30 40 HKEB N#Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)sc2c1CCCCC2 8395264 CTUYVJRTVIIVPP-UHFFFAOYSA-N 416.959 5.149 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2 8926150 OLGSBBOOFRWAAW-ZEQRLZLVSA-N 422.864 5.108 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C#N)cc2)NC(=O)N1c1ccccc1 9516921 NTXRYPDWENUSQE-DEOSSOPVSA-N 422.488 5.050 30 40 HKEB O=C(/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 12619737 BBOXMQYVSOYLDU-WQRHYEAKSA-N 407.429 5.196 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1Br 14134481 RKMLROSNJISIMC-BHGWPJFGSA-N 410.315 5.997 30 40 HKEB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 32755162 CDLRIYZJENPALF-UHFFFAOYSA-N 417.284 5.301 30 40 HKEB CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1=O 97975148 NZVOGZATHCUFRC-QDZVKJLCSA-N 405.538 6.041 30 40 HKEB COc1cc(/C=C2/C[C@@H](C(C)(C)C)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 255961444 FWEVNWJMLKPSEZ-MZZMTWHPSA-N 422.521 5.607 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409066021 LKPDVBUYVKFGNH-WYMPLXKRSA-N 405.845 5.092 30 40 HKEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 409111616 DBOLKTOGDGTMTF-UHFFFAOYSA-N 400.569 5.385 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1F 409113399 APYLMJGJPZVWTB-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)c(O)c(Cl)c3)c2C#N)C1 409212304 PPZQPEDEUMGPLF-ZCUUTASWSA-N 407.366 6.534 30 40 HKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1Cl 409393721 ZHTMYZKBVGCQTQ-UHFFFAOYSA-N 411.888 6.114 30 40 HKEB C=C(C)COc1cccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[nH]2)c1 1444477 HVOXRBXMBDVXQE-UHFFFAOYSA-N 421.547 5.186 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C#N)C1 1830706 CUHIFBOQPLWKEX-GFCCVEGCSA-N 417.625 5.349 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccc(OC)cc2)sc2c1CCC2 4545642 KUSNFNHGZXKYFW-MFKUBSTISA-N 420.534 5.647 30 40 HKEB COc1ccc(O)c(/C=N/c2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2C)c1 8997187 PIVOVCVECMMAPO-WSDLNYQXSA-N 422.397 5.020 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1-c1ccccc1 9125697 MWXODALWKDVQFY-UHFFFAOYSA-N 406.510 6.629 30 40 HKEB COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1OC 12437029 WZFWFESJMGQLAD-WYMLVPIESA-N 411.457 5.108 30 40 HKEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O 13539681 OEZWBUIZTOXEDM-QQAHGDJHSA-N 414.432 5.728 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 59194513 CEMHAXRZURNJNU-ZVHZXABRSA-N 403.507 5.638 30 40 HKEB N#C[C@@H](C(=O)c1ccc(-c2cccc(Cl)c2)s1)c1ccc(C(F)(F)F)cn1 84368078 UHBZOIZCLLRTTG-CQSZACIVSA-N 406.816 5.972 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 97952920 DPGWCGPFSQLZBA-KRWDZBQOSA-N 410.562 5.730 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 100322883 HSSJSYHTDYYUSG-WMOWQXFYSA-N 422.550 5.641 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 164186579 UBHPMZPOGDLILN-WLRTZDKTSA-N 419.433 5.087 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223533435 GOSDMVYBRAXRFN-CPEHUTGBSA-N 419.594 5.999 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccccc1 408782296 HCOZHWZOTVNUHT-NDENLUEZSA-N 407.926 5.639 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(OC)c1O 408906424 JGTKZIOCRSRNGJ-ZSICUCBDSA-N 408.523 5.142 30 40 HKEB COc1cc(Cl)c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC 408909766 IBOKRHQIEHTSCX-ZHUAHHRVSA-N 416.930 5.370 30 40 HKEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408936810 GEXJYIUHSKQRMW-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(Cl)c1 409317321 OYGDQFWWZGWQLS-LBPRGKRZSA-N 418.722 5.208 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1I 672075 DPPNONANRLGISL-CNHKJKLMSA-N 406.050 5.363 30 40 HKEB Cc1nc(Oc2cccc(NC(=O)c3ccccc3Cl)c2)c(C#N)c(C)c1[N+](=O)[O-] 1080611 KRYSBOAJULXYQW-UHFFFAOYSA-N 422.828 5.176 30 40 HKEB CCOc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)ccc1O 4417993 VDLPPEDCIVSTJU-XMMPIXPASA-N 401.487 5.657 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C(\C=C\c2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])c1 4738048 RDPSSTMFRFJDMT-RBVKJLALSA-N 406.373 5.172 30 40 HKEB COc1cc(/C(C)=N/Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC 4923543 FCOMARPWYAFJKU-ZVBGSRNCSA-N 403.693 5.509 30 40 HKEB CCc1cccc(CC)c1NC(=O)CN1/C(=N/c2cccc(C)c2)SC[C@@H]1CC 5985288 LCULNKRIKWHFKT-VHAJSEAWSA-N 409.599 5.573 30 40 HKEB C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(OCC)cc1 27015907 UOQUGVYXJGTDFB-BZZOAKBMSA-N 407.539 5.301 30 40 HKEB CC(C)n1ncc2c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc(C3CC3)nc21 32674696 GOCPTRMXEQFASU-CYBMUJFWSA-N 419.554 5.200 30 40 HKEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1F 57992782 VLTZYMNIFISJEE-IBGZPJMESA-N 420.315 5.216 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 59247943 AWOFVTWAQNSIPK-FOKLQQMPSA-N 411.845 5.413 30 40 HKEB CCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CCCCCCCCCC 79789584 BBRWFMPRAXTTOY-UHFFFAOYSA-N 412.791 7.811 30 40 HKEB CCCCCCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 102509263 REYFTAGFZMGLNW-UHFFFAOYSA-N 406.526 5.547 30 40 HKEB CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCc1ccccc1 104350624 BGTZXJJETWXMJY-UHFFFAOYSA-N 401.659 6.151 30 40 HKEB O=[N+]([O-])c1ccc(N=NC(=NNc2nc3ccccc3s2)c2ccccc2)cc1 254304854 URAMBQYVTBQFST-UHFFFAOYSA-N 402.439 5.762 30 40 HKEB C#CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557889 PHWGNXXRYBUZML-GOSISDBHSA-N 412.725 5.437 30 40 HKEB C=CCc1cc(C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1OC 408703833 YYEJZDKTAWCRQQ-UHFFFAOYSA-N 410.366 5.394 30 40 HKEB CC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408719167 IUGUYNGSWAKRGR-GOSISDBHSA-N 421.305 5.103 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc12 408827901 VHOQVXLDFODGCO-HAHDFKILSA-N 415.514 5.813 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931896 RTKOVIARBFQQFA-DTVDJLOLSA-N 402.922 5.113 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409201830 OGPUOKBAUFCJFI-JVWAILMASA-N 401.893 6.831 30 40 HKEB CCCCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330220 OTHFSQGPGGCNKB-SEYXRHQNSA-N 400.369 7.932 30 40 HKEB COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)c(OC)c1 704893 FCLFKQSDVHZVMS-SANMLTNESA-N 413.517 6.167 30 40 HKEB Cc1ccc(-c2nc(SCc3ccccc3Cl)c(C#N)c3c2CCCC3)cc1 2256552 INAHSIUKQKWQMD-UHFFFAOYSA-N 404.966 6.753 30 40 HKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c1C#N 2465544 XZSUKTQQWRGRNO-UHFFFAOYSA-N 416.300 5.160 30 40 HKEB Cc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)c1 3164675 YMGFCNSRCFOJRR-TWKHWXDSSA-N 400.525 7.665 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1 4311958 DUJWEXPTWKQUEI-NRFANRHFSA-N 418.518 5.358 30 40 HKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 4345252 AURILXUDXTXPMD-UHFFFAOYSA-N 401.919 5.094 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2ccccn2)sc2c1CCCC2 4545632 QPHMWJPEFUYZNS-MFKUBSTISA-N 405.523 5.424 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1Br 4689968 VFFZSPNLEOQPPA-SRZZPIQSSA-N 412.312 6.073 30 40 HKEB C=CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 5690314 GGDJCUZGARVQRY-QFIPXVFZSA-N 405.538 6.065 30 40 HKEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 5830419 ZRTJUNIYCGQOBX-MRXNPFEDSA-N 413.502 5.165 30 40 HKEB Cc1ccc(C(=O)CSc2nc3c(c(-c4ccc(O)cc4)c2C#N)CCC3)cc1 6648956 XWANKIULRLHMHG-UHFFFAOYSA-N 400.503 5.098 30 40 HKEB Cc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2-c2ccccc2)c1 9264934 XVGPASVUJZMVAB-UHFFFAOYSA-N 410.502 5.089 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 17090388 LASOLPADWAXNIM-CYBMUJFWSA-N 415.559 5.037 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3s2)N1 19920788 QKDXEEKIOJVLOY-QFIPXVFZSA-N 424.529 5.566 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc2ccccc12 59461921 XUAQPJGEWJUTGM-ILBGXUMGSA-N 405.497 5.882 30 40 HKEB CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC 97949510 FEYLNGIEAXXUNZ-UHFFFAOYSA-N 422.639 5.236 30 40 HKEB Oc1ccc(/C=N/Cc2ccc(Cl)cc2)c(O)c1Cc1c(F)cccc1Cl 100460027 XPLNYPYBSFXQMZ-BRJLIKDPSA-N 404.268 5.754 30 40 HKEB O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cc(C(F)(F)F)ccc1Cl 101337109 ILVZNSRWMSIOPD-UHFFFAOYSA-N 419.655 5.072 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 102877025 RPGLDAOOEGSHOA-UHFFFAOYSA-N 424.516 5.849 30 40 HKEB COc1cc(/C=N/c2cccc(Br)c2)ccc1OC(=O)c1ccco1 102934890 LFAOXXNNZPGMSA-CIAFOILYSA-N 400.228 5.021 30 40 HKEB CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913773 MKGZDUKUQPPHFM-MMXRWBBBSA-N 410.686 8.009 30 40 HKEB in-vitro C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 214344677 HLYWUBYEAZYXQN-DEDYPNTBSA-N 413.470 5.026 30 40 HKEB CCCCCCCCOC(=O)c1ccccc1C(=O)O[C@@H](C)CCCCCCCC 230656652 BERJMGOMZBTNDD-QFIPXVFZSA-N 418.618 7.500 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408851726 FKLCHWAIBABRRG-WCUGPCOUSA-N 420.578 6.268 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408874574 CARUVMPXQKJAAM-NGIOUVRZSA-N 418.606 6.993 30 40 HKEB Cc1cc(/N=C\c2ccc(N3CCCC3)cc2C)ccc1I 408959807 GDWUPOQWTFCLSI-BKUYFWCQSA-N 404.295 5.259 30 40 HKEB Fc1ccc(COc2cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 409041303 URVYLEQACQANFG-JQAMDZJQSA-N 412.280 5.119 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(Cl)cc1 409080473 ICIHSPZTXFCXIM-ZIARRYFKSA-N 414.914 5.141 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409215224 YYJMVBCVJPFNHW-JVWAILMASA-N 416.521 5.779 30 40 HKEB CC(C)n1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409306836 RXOSXFTYOCZSLD-UHFFFAOYSA-N 412.537 5.862 30 40 HKEB COc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1CCCC2=O 2158220 PTFSCCPAYBCLCH-HSZRJFAPSA-N 424.327 6.829 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2393994 YAMCFQVESQIUOM-UHFFFAOYSA-N 422.573 6.017 30 40 HKEB C(=N/c1nc[nH]n1)\c1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 4083381 VBOCQUYFERLATK-WGOQTCKBSA-N 413.525 5.637 30 40 HKEB CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](C)O3)cc1 4615361 KDHIJIWTVNWYFK-OYLFLEFRSA-N 400.478 5.279 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(/C)c4cccc(O)c4)c3c2C1 5065852 KETZZCMRQKCPNM-JAYSCUBMSA-N 408.571 5.774 30 40 HKEB Cc1c(/C=N/c2cccc(Nc3ccccc3)c2)c(O)n2c(nc3ccccc32)c1C#N 5336438 NULFPLWZWCMNEI-LQKURTRISA-N 417.472 5.867 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 8740890 IUAVOELSAKUTQH-HSZRJFAPSA-N 412.489 5.296 30 40 HKEB CC(C)Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)c2cccs2)cc1 12887979 CPISTZVDVRKSPB-QHCPKHFHSA-N 424.591 5.027 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCCC)c1 20672448 IXSSONSNHOTHQE-HSZRJFAPSA-N 417.509 5.233 30 40 HKEB Cc1cc(/C=N\Nc2nc3ccccc3s2)c(C)n1-c1cccc(C(F)(F)F)c1 32109295 UAIJHEDRASBVKT-ROTLSHHCSA-N 414.456 6.169 30 40 HKEB O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 59503519 HEJXLTDZUIGYRJ-DJOYVXLESA-N 417.446 5.109 30 40 HKEB C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CCC(C)C 73634146 ZRVNBSCHJQFILE-UHFFFAOYSA-N 405.494 5.526 30 40 HKEB CCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530611 ROQKUAHNTXVBAH-MDZDMXLPSA-N 408.295 7.397 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118914939 CKXFHIVEFDOLKD-VVYSMVTKSA-N 416.605 6.549 30 40 HKEB C[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1ccccc1F 215717864 VSPKXYJQVCWFGQ-AZRQGOPLSA-N 413.905 5.744 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779135 CFJKUZGZUFNMHK-UHFFFAOYSA-N 412.917 5.077 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC 408737308 BNJIOBUEJRTCHH-UNOMPAQXSA-N 416.930 5.337 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 408916605 YLQFCKOWUTURHS-BMDLNNLGSA-N 402.563 6.488 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409092156 VUBADUNSVHDHBG-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409216074 DSJQDVVGRFIUPH-QFEZKATASA-N 408.885 5.425 30 40 HKEB Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 1628721 HFTIJXPCZGDPSS-UHFFFAOYSA-N 412.532 7.408 30 40 HKEB COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)c1 4075142 XDBUICCCAGCPKT-GYCJOSAFSA-N 402.519 5.736 30 40 HKEB CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2c1ccccc1 4117322 ZKSOYTWUUNYBOB-XMMPIXPASA-N 401.550 6.499 30 40 HKEB COc1cc(/C(C)=N/Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 4921732 QUIMPQBMCFXXCZ-AUEPDCJTSA-N 402.800 5.221 30 40 HKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1 4944857 WOMRYIHBIHWWAI-FQEVSTJZSA-N 419.521 5.176 30 40 HKEB C/N=C1/S/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)N1C 6158045 PRFZFNPLADJDQI-BQDZKJHTSA-N 407.322 5.104 30 40 HKEB COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc(OC)c1OC 12756011 DMMKWQUGVIDQLW-AQTBWJFISA-N 415.445 5.277 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 17086110 AMFXWKMAYVRTBX-UFFVCSGVSA-N 407.282 5.861 30 40 HKEB Cc1sc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 17090447 VWOAJAXAJXHEFK-UHFFFAOYSA-N 415.927 5.277 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccccc3Cl)=NC2=O)c2ccccc21 17299707 HYDSATDRKKHCTR-MOSHPQCFSA-N 407.926 5.872 30 40 HKEB C=CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 36612876 USQNPHPSHDCCOE-UHFFFAOYSA-N 404.467 5.160 30 40 HKEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249109 JWAREBPDYOIUET-YSURURNPSA-N 405.256 5.989 30 40 HKEB FC(F)(F)C(F)(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F 95708018 BPGZBMINTWQDOH-UHFFFAOYSA-N 414.136 6.265 30 40 HKEB CN(/C=C1\C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118927466 FJXSGEDXKWIWEK-NWTDJKKPSA-N 407.598 5.589 30 40 HKEB CN(/C=C1\C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O)c1ccccc1 118929421 BFJVQHDAYWRUQQ-MILVNONASA-N 421.625 5.979 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 408588499 BQVCBPIQMCPXPA-AFUMVMLFSA-N 424.428 5.262 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cccc1OC 408910326 GVTRPTGZQGQXEY-KCKSVOGJSA-N 424.566 5.805 30 40 HKEB Cc1cccc(C)c1N=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1C 408960681 NSYHLDDGSURLDX-SNSRFIGSSA-N 405.567 5.528 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409210193 FKSXTGTWFWVBIJ-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409316589 LOQQXCVQOVMQKL-XQFFYOLASA-N 410.315 5.049 30 40 HKEB Clc1ccc(Cn2cc(/C=N/Nc3nc4ccccc4s3)c3ccccc32)cc1 1846267 ZIIUFBKILLONEN-DHRITJCHSA-N 416.937 6.399 30 40 HKEB N#Cc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCCC2 1908922 QCWBFSLFNSNTIN-UHFFFAOYSA-N 409.514 5.966 30 40 HKEB C=CCNC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2285699 NAQZXFPRTQDZLT-HHHXNRCGSA-N 410.517 5.042 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 2406585 YVUASLQDINPIKL-LSIOVLHASA-N 409.555 5.028 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@H](C(=O)O)c1ccccc1 3078182 FURJYPMGAFGROE-DEOSSOPVSA-N 422.509 6.205 30 40 HKEB CCCN(CCC)[P+](Cc1ccccc1)(N(CCC)CCC)N(CCC)CCC 4530656 XXGDQGNPUBOPIT-UHFFFAOYSA-N 422.662 7.315 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 4597583 HLTSFAKZSVQSFW-BCHFMIIMSA-N 418.496 5.899 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5524797 FIJMGPLZXVFCRB-QHCPKHFHSA-N 413.521 5.390 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 6399352 PTWZGVXKEQFRBH-CORDZFOMSA-N 415.581 5.789 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 9805606 LNTSNIRFVZSIQK-UHFFFAOYSA-N 421.309 5.638 30 40 HKEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccc3ccccc13)CC2 33860213 LNZAIAYGKDXOMO-PTGBLXJZSA-N 410.267 5.118 30 40 HKEB N#C[C@H](C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)c1nc2ccccc2[nH]1 84583257 RAQTZOIZUGXPPY-LLVKDONJSA-N 419.815 5.940 30 40 HKEB C[C@H]1Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 408710937 YVFXDVWCFWGNII-NYOLZVMQSA-N 412.514 5.819 30 40 HKEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 408876595 QJLFEHGNRUQBNI-XSFVSMFZSA-N 419.864 5.477 30 40 HKEB C/N=C1/S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(=O)N1C 408930364 WBVDGDAYUCUMIT-FYCBZXFJSA-N 406.482 5.090 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2cccc(Cl)c2Cl)cc1 408961994 WRTYRJYFJQKXRE-MSXFZWOLSA-N 400.261 6.021 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 409212048 PIYSSGZPLUCECN-CVKSISIWSA-N 422.912 5.815 30 40 HKEB c1ccc2c(OC[C@H]3CO3)c(Cc3ccc4ccccc4c3OC[C@H]3CO3)ccc2c1 856541 OCTGJOAYIZMTFA-DHIUTWEWSA-N 412.485 5.139 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1 1079560 XKYSPYWHAAYWOP-OAHLLOKOSA-N 404.268 5.660 30 40 HKEB Cc1ccc(/C=C2\CCC/C(=C/c3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 1650742 OLMOKVKLMNWDCR-ZNLNQYBNSA-N 401.550 5.907 30 40 HKEB C=C1C[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@@H]12 2150832 QXZCBRHBEXEZSO-PKOBYXMFSA-N 400.431 5.131 30 40 HKEB biogenic CC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 2209068 MISNKYJCYIVJBT-JOCHJYFZSA-N 423.563 5.136 30 40 HKEB C(=N/N(Cc1ccccc1)c1ccccc1)\c1c(-c2ccccc2)[nH]c2ccccc12 6252139 RPAQADYQMSOYAH-ZTKZIYFRSA-N 401.513 6.876 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 9330010 CJVIZWFXNDQNKE-FQEVSTJZSA-N 424.283 5.776 30 40 HKEB N#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 13408225 RXCYKJMORDSJLD-IWIPYMOSSA-N 407.713 6.110 30 40 HKEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 23201324 CUKBXRPMXSCGKG-UHFFFAOYSA-N 407.429 5.323 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2/C=C/c1ccccc1[N+](=O)[O-] 24543280 YVVAJUYYKCXBNR-RPAADVPWSA-N 424.500 6.614 30 40 HKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1OC 32115189 JXWZQGQCVUNCER-OVVQPSECSA-N 416.521 5.871 30 40 HKEB C=CCn1c(SCc2ccc(C)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33267937 GGXMRXVUXIGSEN-UHFFFAOYSA-N 401.535 5.189 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccc(C)c(C)c3)nc2c1 35310903 MDHYFOHOFWHKMH-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1 38653292 IKKYJVBBNUFCQZ-UHFFFAOYSA-N 412.537 5.393 30 40 HKEB O=C(/C=C/c1ccc2c(c1)OCO2)C(C(=O)c1ccccc1)=C1SCCCCS1 103538598 WFDZIQXSQLWTSO-CSKARUKUSA-N 424.543 5.352 30 40 HKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408591737 KEAGAMWWVJGNDI-PCLIKHOPSA-N 420.513 5.399 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/C=C/c2ccccc2)C(=O)N1C1CCCCC1 408912639 OHLDUPAMPVJUQB-MXEURWARSA-N 416.590 6.742 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)S1 408960962 KJNGZAAOJZAECK-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)cc1 408974639 FTUNJOSSYKDCHB-MOHJPFBDSA-N 404.550 7.024 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)s1)Nc1ccccc1N2 720535 WLYQMEQPDCYZJN-WNSKOXEYSA-N 406.938 6.381 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 2270564 YQXWKAXAEJDEGL-MRXNPFEDSA-N 424.635 6.185 30 40 HKEB Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1 3104432 LZFFUNQYGNCAFG-UHFFFAOYSA-N 412.436 6.289 30 40 HKEB CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2ccc(F)cc2)C1=O 4512561 IEGCXLOESCWFRN-YBEGLDIGSA-N 403.862 5.023 30 40 HKEB CC[C@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(Br)cc3)cc2)N1 4880779 STTCHIFAKPRKIP-QJXUFPCYSA-N 415.356 5.448 30 40 HKEB C(=N/Nc1ccccc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 5163756 LSXSLFPWBLQRDX-HLYLYWOTSA-N 416.528 6.488 30 40 HKEB COc1cc(/C=N/Nc2nncc3ccccc23)ccc1OCc1ccc(Cl)cc1 5869561 UCPMRNSHSMUMCY-DHRITJCHSA-N 418.884 5.317 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 6926839 UFHFPYQOSRXJRK-JAIQZWGSSA-N 404.422 5.194 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2c(F)cccc2Cl)n1 8993361 FNNIGRDQOKYDAD-UHFFFAOYSA-N 402.844 6.354 30 40 HKEB CCc1ccc(-c2cs/c(=N\c3cccc(OC)c3)n2/N=C/c2ccncc2)cc1 12660940 STFSWHATFZEVRM-IJWDOUJDSA-N 414.534 5.297 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2)cs1)c1ccc(F)cc1F 12938843 HDXFHRGJQNQMIN-VQHVLOKHSA-N 418.852 5.655 30 40 HKEB Cc1cccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2cccc(C)c2)c1 16745272 PMALUQRSVPDJBE-YWROOUKNSA-N 400.503 5.818 30 40 HKEB O=C(Oc1ccc(/N=C/c2ccccc2)cc1)Oc1ccc(/N=C/c2ccccc2)cc1 18154862 CJDYJOHCNOYMGT-JUWMQZRYSA-N 420.468 6.766 30 40 HKEB CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820554 XKIWLNUIUQEFCM-UHFFFAOYSA-N 401.322 5.656 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4ccc(C)c(C)c4)NC3=O)o2)cc1 59137833 KGQBTBOKMJUVPA-MOSHPQCFSA-N 420.559 6.248 30 40 HKEB Cc1ccc(/N=C(/c2ccccc2)N(N)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 71195137 MGIBBPGAOYAZHS-NFFVHWSESA-N 407.477 5.289 30 40 HKEB CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C 223552688 SMXDJDXBFPIPDP-CPEHUTGBSA-N 419.594 6.079 30 40 HKEB FC(F)(F)/N=C1\SC(=Nc2ccccc2)N(c2ccccc2)\C1=N\C(F)(F)F 255980109 IZFZCMFMJKDHJZ-QYJGRCFESA-N 416.350 5.764 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 408759778 LLBDUADAXUZVBS-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)nc1 408890391 SJOOENNYETWJNA-AUEPDCJTSA-N 417.252 5.322 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908461 FBMHCTBOJQUXEU-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408935869 DXKBBPZJEVNKKI-SBRNOXJPSA-N 420.556 7.137 30 40 HKEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OCC)c1OCC 409071844 LSRHNVIEJQAEDO-UHFFFAOYSA-N 422.521 5.341 30 40 HKEB Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 409208059 AMEDMPJBXFRDCR-VULFUBBASA-N 406.913 6.033 30 40 HKEB COc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C 409209564 CMZPQSGHACCFLR-UFWORHAWSA-N 417.528 5.933 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 409214491 XTIZJXKTSVRAFH-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 409215132 WWFICHFJNIZZEJ-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 409245618 WPWFKSCIAAPLIZ-LJVHWXJXSA-N 402.523 5.113 30 40 HKEB N#CC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 1870218 SZAJGQWTUVDNFO-UHFFFAOYSA-N 414.763 7.185 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3F)nc2c1 2053167 LQIHIKOCWFGMCT-YCPBAFNGSA-N 419.214 6.536 30 40 HKEB CC(/C=N/N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)=C\c1ccccc1 5214838 PHRKHKJYERALAP-JKSVLNGRSA-N 404.560 5.923 30 40 HKEB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1(C#N)CCCCC1 5242913 LSBYEAOEOFBRCR-QGZVFWFLSA-N 416.550 5.120 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3cccc(Cl)c3)nn1[C@H]2c1ccc(F)cc1 9731818 UCJBHKJCTVNEAB-FQEVSTJZSA-N 422.891 5.396 30 40 HKEB C=Cc1c(C#N)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 13212873 QQLCKMALYNOMJK-UHFFFAOYSA-N 400.478 5.476 30 40 HKEB C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(C)cc2)o1 14199217 QBQGDBVEHSKJAT-UHFFFAOYSA-N 419.959 5.067 30 40 HKEB Cc1ccccc1C(=O)O/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 16362625 YFSJICJKANZCKK-FVDSYPCUSA-N 420.468 5.256 30 40 HKEB Cc1cccc(/N=C2\S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2cccc(C)c2)c1 19832298 KFQKPJRUWJORNB-BTRCZGFISA-N 416.502 5.523 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C)s1 19847873 QXTJFNRAFHZODL-SZNDQCEHSA-N 413.564 5.043 30 40 HKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 20762485 SSQZRAWUPUKYIG-DHRITJCHSA-N 402.325 5.533 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc(OCC)c1O 33491778 CLQPVMTXSJETSP-PDGQHHTCSA-N 414.914 5.064 30 40 HKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 33793281 UVAAFAORVMFWPK-LSFURLLWSA-N 416.761 5.044 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59249211 KIUQCODOVNHXFH-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB CCCCCOc1ccc(/C(C)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 59398941 WPEAFZQXSOXUCZ-XYGWBWBKSA-N 413.974 6.869 30 40 HKEB C=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(Cl)nccn23)C1 95080410 LLDRBMUYSHVROL-UHFFFAOYSA-N 422.919 6.699 30 40 HKEB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)C1 102635301 NUZJEQWIZIHZSO-BHYGNILZSA-N 414.571 5.156 30 40 HKEB Clc1ccc(/C=N\c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)cc1 104058461 PCGPHMLKVPOBMV-CEUNXORHSA-N 410.948 7.297 30 40 HKEB C=CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 219802375 BLBOWEMYZQPCNA-UHFFFAOYSA-N 412.407 5.935 30 40 HKEB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408531397 PTJJTIRARHDMQU-BKUYFWCQSA-N 422.937 6.172 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1C 408868482 MRHBVENKVAUINL-SHSCQTOKSA-N 424.541 6.079 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S1 409242345 RALDNDUOYMMYCT-MKMNVTDBSA-N 413.713 5.552 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccc(F)cc1 409251647 VIVOXSPKWYPESU-YMERHICUSA-N 410.445 5.849 30 40 HKEB CCCOc1c(Br)cc(/C=C2/Sc3ccccc3C2=O)cc1OCC 409311758 HTPZTCMUELBHHB-LDADJPATSA-N 419.340 5.966 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(F)cc3F)nc2c1 3206058 MESJJQYSIQRFHP-UVHMKAGCSA-N 400.384 6.382 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C[C@@H]12 4040187 KBWQXZRWBYAKNJ-OYYSQZJPSA-N 411.586 5.285 30 40 HKEB biogenic O=C1c2ccccc2[C@@H]2SC/C(=N/OCc3ccccc3)c3ccsc3CN12 4108876 ACWRPNRPQOFYQL-PJJVEECESA-N 406.532 5.070 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 4116318 JFDHLSJSCLORCK-HRCLSFSHSA-N 412.489 5.071 30 40 HKEB COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1O 4664175 PZRRDDNKFBYWHG-OYKKKHCWSA-N 412.555 5.154 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4899365 CBXLGGVASYWVNZ-DAMKXSJNSA-N 411.546 5.467 30 40 HKEB O=C(NCc1ccco1)c1c(/N=C\c2c[nH]c3ccccc23)sc2c1CCCC2 6243784 GKVJOMWVLNTOCD-ZMFRSBBQSA-N 403.507 5.382 30 40 HKEB CCCCCCCCCCCCCCc1ccc2[nH]c3c(c2c1)-c1ccccc1CC3 8384709 LJTYGSDSCYZVAE-UHFFFAOYSA-N 415.665 9.177 30 40 HKEB C=CCn1c(SCc2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 8394758 IFNNSJNNJVIASC-JOCHJYFZSA-N 415.518 5.422 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1cccs1 17093259 BREWKTFVMHVXND-LJQANCHMSA-N 422.579 5.290 30 40 HKEB N#Cc1cccc(COc2cccc(/C=C(\Cl)c3nc(O)c4ccccc4n3)c2)c1 44024181 HYLGRWNWQVBEII-BKUYFWCQSA-N 413.864 5.523 30 40 HKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 50860545 JTDLCEIJFSKVCG-LJQANCHMSA-N 405.542 5.536 30 40 HKEB CCCCCCCCCCCCOP(O)OCCCCCCCCCCCC 100110188 SPBMDAHKYSRJFO-UHFFFAOYSA-N 418.643 9.081 30 40 HKEB CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc4ccccc4c32)=C(O)C1 102791225 SKRQNNVOEZWTIA-VWLOTQADSA-N 416.517 6.160 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 118936455 DNHVTVKDKYLDFF-VWNCJNCFSA-N 400.647 6.808 30 40 HKEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622760 HYPJZZMGOJZDBF-UHFFFAOYSA-N 420.745 5.345 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)c1 260562551 AOKDMQSPUTVJSI-VYZAVGSRSA-N 419.594 5.917 30 40 HKEB Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc([N+](=O)[O-])cc1 408743027 YRCQJHRQLFMFKM-ZMOGYAJESA-N 404.495 5.565 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 408766032 OBDBGASQYZWEJC-ZHZULCJRSA-N 422.594 6.187 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408902678 PSUHMUXOGBXSCX-LFIBNONCSA-N 422.358 5.964 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1c(C)cccc1C 408907907 QDIDXJRGPYEPJX-YTVGCWMKSA-N 405.350 6.234 30 40 HKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 409156113 RSPPGJIECLPUNM-DOXZYTNZSA-N 404.819 6.088 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 409208831 DPRDCGWGKHYZDQ-HJQVIKLGSA-N 401.919 6.083 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1C(C)C 409213529 POWBDTSPGODMQK-HPGAWOKTSA-N 423.365 6.343 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)S/C1=N/c1ccc(OC)cc1 409244917 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C(=C\c1ccccc1)\C=N/Nc1nnc(N/N=C/C=C/c2ccccc2)c2ccccc12 17418161 AYTJSHHESVZMRL-QLIAAWOWSA-N 418.504 5.852 30 40 HKEB CSc1nc(Nc2cc(Cl)cc(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 19820637 SWNXBJURVYDVMB-UHFFFAOYSA-N 401.322 6.096 30 40 HKEB CCC[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 72427529 VNWBNDPAWABFIA-CQSZACIVSA-N 400.276 5.565 30 40 HKEB CCCCCCCCCCCCCCCC(=O)NCCOC(=O)Nc1cccnc1 97949440 GTYONWQCTQNPNZ-UHFFFAOYSA-N 419.610 6.228 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 102682402 TVOZQNAPBHNPSP-AZGAKELHSA-N 412.489 5.502 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408692662 RUQXUGNNEBVWDA-ACCUITESSA-N 420.339 7.201 30 40 HKEB Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408858372 RYEJDNSVWBRJON-WGARJPEWSA-N 408.929 6.494 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccc(Cl)cc1 409084297 BCFJJIMAINIZMS-YISMEOAQSA-N 402.972 6.076 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409152832 GKSHEGIKLPIKKW-RGVLZGJSSA-N 420.877 5.708 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 409382122 YGKXDBSBDZVEFE-LGJNPRDNSA-N 410.876 5.864 30 40 HKEB N#Cc1c(N2C(=O)Nc3cc(Cl)c(Cl)cc3N2O)sc2c1CCCCCC2 2151017 KMFHVIJWPNBNJI-UHFFFAOYSA-N 423.325 5.748 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12 2373696 PQAYMIFRWLQCNX-UHFFFAOYSA-N 422.554 5.404 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C#N)C1 2740123 RURZGWYAQALKDU-PCLFDXGNSA-N 420.622 6.936 30 40 HKEB CN(/N=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 4595670 CNHAANLJBFUPLI-KOEQRZSOSA-N 409.449 5.189 30 40 HKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O 5376518 GFXNZJXNLMUSJK-BOPFTXTBSA-N 404.413 5.162 30 40 HKEB COc1ccc(/C(=N\OCc2ccccc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5526823 JVSYDQRQIKCCBM-HCCLRVHPSA-N 401.462 5.149 30 40 HKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc2c1=O 5860712 UIPMFSCMKAHQIU-UHFFFAOYSA-N 410.848 5.547 30 40 HKEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 9210262 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CCc1ccccc1/N=C1\S/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)N1C 408907296 AUDXGGBFWSFESS-QMSJJHEMSA-N 408.567 5.923 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O 408910313 JWTNHRANBYDMAY-OQNHBUHUSA-N 416.546 6.251 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1c(C)cccc1C 408910604 XHRYRJXTPNFKIF-JRLDGGGSSA-N 415.356 5.690 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C2CCCCC2)cc1 408915653 ZEWVPFFPWIQLAD-LPCFMYKTSA-N 420.534 5.630 30 40 HKEB O=C(O)c1cc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3)o2)ccc1Cl 408933430 JOAFBVQKDLTAIS-YSURURNPSA-N 408.763 5.763 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408937319 ISMAHRSTHVBMLH-LOSAIZEKSA-N 408.545 6.971 30 40 HKEB FC(F)(F)c1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 408987908 PKWPLHSKQFYFJI-JFLMPSFJSA-N 423.463 6.942 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 409199356 CFXSNDDGDGOBQY-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB CCCCCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 2291557 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404.510 5.122 30 40 HKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCOCC1 32115208 JXSPTEOVMCZUEE-YZSQISJMSA-N 406.913 5.224 30 40 HKEB CSC1=N[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(C)=O)=C(C)N1C 33864169 YBRZSCQOEVMCRX-SFHVURJKSA-N 419.890 5.077 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 59186113 JXYYEWPTUFOECA-NHDPSOOVSA-N 420.390 5.649 30 40 HKEB c1ccc(/N=C2\SCCN2Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 72238852 WMSYWUZSBDNSHD-LCUIJRPUSA-N 411.534 5.171 30 40 HKEB CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@@H]2CCCC[C@H]2C1 104377648 RRAUVBZLIQRUAF-NSOVKSMOSA-N 406.763 8.905 30 40 HKEB CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC 136634313 ILVKYQKHSCWQAW-UHFFFAOYSA-N 418.618 7.501 30 40 HKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757451 FIRXFFOZXSLOOD-UHFFFAOYSA-N 407.470 5.094 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 250574728 NJWYLVQOSGELIN-QHCSAWBJSA-N 420.637 6.776 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 408773841 SYIYZJBZMVTPSZ-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)ON=C2c2ccccc2)cc1 409082371 SENGMOGNVDJVJJ-UQQQWYQISA-N 419.480 6.072 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1C 409215682 DKLXJTXGRDCHAA-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2)cc1 409241331 RGMASVCCMQRPLY-QNGOZBTKSA-N 402.544 6.038 30 40 HKEB CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OCC 409279829 JZNFXRWNDGFSEQ-UHFFFAOYSA-N 419.525 5.124 30 40 HKEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 409386628 QUKCCTJXQVIDGZ-MXAYSNPKSA-N 406.551 6.100 30 40 HKEB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 689610 CXFWTZCBJDCDLL-NRFANRHFSA-N 410.876 5.086 30 40 HKEB Cc1cccc(NC(=O)c2sc(NC(=O)Cc3cccs3)c(C#N)c2C)c1C 871570 PPLQOYRAFGDBBW-UHFFFAOYSA-N 409.536 5.040 30 40 HKEB CCCCOc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N 2057837 TWROFCHYOWKJDU-UHFFFAOYSA-N 407.311 6.229 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 2343265 PYSTURQMZPGURE-UHFFFAOYSA-N 401.491 5.366 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1csc(-c2ccccc2)n1 2350703 DQYKHTWUDQXBAQ-RPWUZVMVSA-N 413.498 5.712 30 40 HKEB CC(C)(C)c1ccc(CSc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1 2576492 UXZLVPRETBMTOC-UHFFFAOYSA-N 406.576 6.023 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C#N)C1 2740125 RURZGWYAQALKDU-CBHXRGPZSA-N 420.622 6.936 30 40 HKEB CCCCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 4613340 GQAZMLYCTMOAPU-HSZRJFAPSA-N 421.581 6.679 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)c1 5797074 QJWPUJJCFCSLNA-NDENLUEZSA-N 408.910 6.108 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Cl)cc1Cl 8544633 FLNHXIZNFPNIRI-FPOVZHCZSA-N 424.327 6.036 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccccc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18197777 KQDYALYOUAZJRU-UPCLLVRISA-N 417.530 5.724 30 40 HKEB CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 32984157 JRXGMABSLHJFSH-UHFFFAOYSA-N 421.543 5.367 30 40 HKEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 33422890 STRNSYSTPKOCAX-WMMMYUQOSA-N 419.572 6.049 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1C 59104801 YSTJERFUVJXFPQ-JCMHNJIXSA-N 415.562 5.857 30 40 HKEB C=CCc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(OCC)c1O 59302995 CGHVSLLYQKGWKI-YZSQISJMSA-N 403.478 6.071 30 40 HKEB C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H]12 118931032 VZIGRTXYYCCTRR-LVSAPHKCSA-N 400.691 7.635 30 40 HKEB CCn1c(N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 408692113 DRVNTYJSHQYVFM-MFKUBSTISA-N 404.901 5.735 30 40 HKEB O=C(NCc1ccco1)c1c(/N=C\c2cc(Cl)ccc2O)sc2c1CCCC2 408845477 FSIBWKFFRYMCCL-MYKKPKGFSA-N 414.914 5.260 30 40 HKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964206 BYGKGYIFHJVILF-TWKHWXDSSA-N 406.573 7.809 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 409208465 GCGNXYNEEVDCAI-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 2062741 ATXDZHGGQORCKS-UHFFFAOYSA-N 407.510 5.621 30 40 HKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2 2119103 CADCIOUMQPBKHQ-UHFFFAOYSA-N 418.949 6.127 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CCC3)c(OC)c1 4545636 PWTCDJOPJYXDJS-WSDLNYQXSA-N 412.536 5.318 30 40 HKEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3C)S2)cc1 4688261 AYLQHBBOLMKQNG-CJLVFECKSA-N 421.566 5.276 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1OC 4862937 AOPHQPCVASUCKB-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/[C@H]3CC4=C(CCCC4(C)C)C[C@@H]3C)cnc12 5156811 LJUWURFVJHIWJY-KEXANBGTSA-N 418.541 5.273 30 40 HKEB C=CCn1c(C)nnc1SCC(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 6586831 CERUBGFZTYVHTH-UHFFFAOYSA-N 406.486 5.035 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)o1 9113874 UESRBKBRVSYWAV-QFIPXVFZSA-N 422.322 6.396 30 40 HKEB C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)OC1=S 13453579 PBBHEEBCCXLURD-VCHYOVAHSA-N 420.317 5.243 30 40 HKEB CCOc1ccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCOC)cc1 20152678 ZMORNKOPLONKIQ-WCWDXBQESA-N 407.539 5.184 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2cc(C)sc2C)cs1)c1cccc(C)c1C 58109429 METKHKVLMGYAGF-MDZDMXLPSA-N 410.564 6.019 30 40 HKEB CCCCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 97996995 CZVGOAPQSLSDNN-UHFFFAOYSA-N 424.673 8.566 30 40 HKEB Cn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 100268461 BRLJNRBPIZLCBR-YSMPRRRNSA-N 419.594 5.932 30 40 HKEB CCCCCCCCOc1ccc(NC(=S)Nc2cccc3ccccc23)cc1 100285279 VIJFWHHJFJYYTN-UHFFFAOYSA-N 406.595 7.388 30 40 HKEB CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525736 HGWNQQLEQVMZIO-UHFFFAOYSA-N 410.311 7.621 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CC(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 103876438 ZKIHPMHVQZGSRY-QIFABLSXSA-N 420.658 5.052 30 40 HKEB O=C(/C=C/c1ccc(Br)cc1)c1cccc(N2Cc3ccccc3C2)c1 408718619 KFTLOKPVMPIVAH-JLHYYAGUSA-N 404.307 5.865 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCC2)o1 408774994 ZOEBPLIWZRVMKT-PTNGSMBKSA-N 422.337 5.468 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccccc1 408907051 LHNRYKBTOQQQFL-KEHMSQLFSA-N 400.503 5.757 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)S/C1=N\c1ccccc1 408908856 SNOYZSTYYUGPRV-CEOOYPSPSA-N 416.930 5.458 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408946588 YYBKLYNWXRTGMO-GSBUYOBVSA-N 414.936 6.926 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(N5CCOCC5)cc4)ccc32)c1 409242217 VQFPICORLICUBQ-VEILYXNESA-N 413.496 5.416 30 40 HKEB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)SC2=S)c(C)c1 409349277 VGZCIOHNLGSKHN-MTJSOVHGSA-N 416.527 5.841 30 40 HKEB COc1cc(Br)cc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1O 904067 TVEIQHSJRBFNRP-FSJBWODESA-N 422.282 5.229 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 1878383 TZECKOVNVZCWJI-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Br)cc1 2318773 RWABKUWEVDCLIZ-AFUMVMLFSA-N 404.311 6.155 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CC[C@H](C)C2 4545650 XQFGZNMCABGIIH-WBILBPDKSA-N 419.550 5.670 30 40 HKEB COc1ccc2c3c(ccc2c1)[C@@H]1C/C(=C(\OC(C)=O)C(F)(F)F)C(=O)[C@@]1(C)CC3 4804009 YIODTVGTQJKFMM-XVOWIKRCSA-N 418.411 5.237 30 40 HKEB C=CCOc1cc2c(cc1[C@@H](CC)c1ccc(OCc3ccccc3)cc1)OCO2 6002101 GRGHSCOABZPCNQ-QFIPXVFZSA-N 402.490 6.101 30 40 HKEB COc1ccc(/C=N/Nc2cc(-c3ccccc3)c3cc(Br)ccc3n2)o1 9350463 KGYUJRHYUOTWGL-YDZHTSKRSA-N 422.282 5.712 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 9484288 MHAAGPXGDFZURR-XDHUDOTRSA-N 424.460 5.079 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)c2C#N)C1 17093817 BRNVWERHMHRPOB-SECBINFHSA-N 424.378 5.178 30 40 HKEB CSc1nc(NCCc2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820371 SFQNNMDCKTYZLE-UHFFFAOYSA-N 402.567 5.689 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 102569521 NXMOXMNEZFBRCY-HOGKFDNTSA-N 407.510 5.006 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 105442613 FYPWCNCDAOYRLU-UHFFFAOYSA-N 418.622 6.231 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 165107998 BIHCDZXIGYZCRJ-NTUHNPAUSA-N 403.434 5.387 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1C 408561010 UMWCKORCGOUOTB-UHFFFAOYSA-N 422.598 5.311 30 40 HKEB COc1cc(C)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1C(C)C 408909036 BPRABCZCNXUQSU-WRIATZMJSA-N 422.594 6.448 30 40 HKEB Cc1ccc(COc2c(Cl)cc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)cc1 408910096 JDLGGEKUNRJHNM-UHFFFAOYSA-N 423.295 6.343 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc12 409091383 QAFIRZLICUGOJV-KQWNVCNZSA-N 423.443 5.902 30 40 HKEB Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl 409218063 SKNHPVXDJYFICL-QRVIBDJDSA-N 420.317 5.820 30 40 HKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)cc1 409230018 ATQKMISWAWMPDQ-YDZHTSKRSA-N 416.771 7.313 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409323920 QEOOSMHFKLTGCP-XKZIYDEJSA-N 419.458 5.512 30 40 HKEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1)CCCCC2 860545 UKURBAOFWUKQLA-UHFFFAOYSA-N 406.338 5.260 30 40 HKEB N#Cc1c(SCC(=O)c2ccc(F)cc2)nc2c(c1-c1cccs1)CCCC2 1026133 WFJXKFDFHZBTKE-UHFFFAOYSA-N 408.523 5.675 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)o1 2367202 YOGUKLIDFSOTRQ-CHHVJCJISA-N 422.305 5.479 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 3090306 MNDZGAVUDHWPCU-YSURURNPSA-N 417.679 6.911 30 40 HKEB O=C(Oc1ccccc1/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 3117321 MMHSUMVMGLBPCD-WYMPLXKRSA-N 404.680 6.617 30 40 HKEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccccc2Cl)o1 12284815 HEETVWXMRAQFHU-CSKARUKUSA-N 419.820 6.664 30 40 HKEB C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc1-c1cccc(Cl)c1 35682806 QQFFEHXKGOKSBU-UHFFFAOYSA-N 401.919 5.094 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 36611819 JKKLUSGJEQWZSQ-IWQYWSLLSA-N 402.534 5.823 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 83309944 MCDIDESXWKBBCV-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB CCCCCCCCCCc1cnc(-c2ccc(OCCCCCCCC)cc2)nc1 100073854 LIIWGEPQAZKMBX-UHFFFAOYSA-N 424.673 8.566 30 40 HKEB CCOc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 100933848 BOTFUNPFJALNTM-HYARGMPZSA-N 403.320 5.294 30 40 HKEB CO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]21 118928714 NNHCLKKAJULNME-IOYYCGTQSA-N 414.674 7.222 30 40 HKEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 260572273 UGSVNXDLUDWLDK-POSALZGESA-N 419.594 5.951 30 40 HKEB C=CCc1cc(/C=N\c2ccc(I)cc2C)cc(OCC)c1O 408810331 KHXGBYVPULLJSX-MTJSOVHGSA-N 421.278 5.183 30 40 HKEB C/N=C1/S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N1C 408929744 NJWZKTGSIPNNQN-FYCBZXFJSA-N 422.937 5.604 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1O 408937083 MJMOPGUMJRJWAW-NJWHOWNYSA-N 411.461 5.878 30 40 HKEB COc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1c(C)cc(C)cc1C 408991582 QOZSDPFGKNKXAA-UHFFFAOYSA-N 406.522 5.541 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 409233041 CZQHIWJOQFBRPT-XAFFKLEKSA-N 417.534 5.418 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 409241757 UOLJWRWPFUVJDX-RIUHWNRSSA-N 409.461 5.379 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409248678 HXKRGWMYPBGBQJ-LVKIEVKJSA-N 418.921 5.890 30 40 HKEB N#Cc1ccnc(Nc2nc(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)cs2)c1 585294768 JZQQLBZNRIGRBX-UHFFFAOYSA-N 414.538 5.014 30 40 HKEB C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1 851671 LOHLSAKFWNYSIE-VCJZWJMISA-N 413.852 6.016 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 856575 PCJIDTNRXASGRI-MRDQGFSESA-N 414.480 5.814 30 40 HKEB Cc1nc2cc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)ccc2s1 1223894 GWRCDBAKDMWAFP-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB aggregator COc1cccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c1OC 2413855 XYLDROGTUFNSHQ-UUYOSTAYSA-N 422.864 5.552 30 40 HKEB Clc1cccc(Cl)c1CO/N=C/c1c(-c2ccccc2)nc2sccn12 3029502 RQNMCVYIDGRTGL-SSDVNMTOSA-N 402.306 5.920 30 40 HKEB N#Cc1cccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)c1 4002706 ANARDNCVOBDTGW-PKNBQFBNSA-N 404.300 6.433 30 40 HKEB CCCCCCOc1ccc(/N=C/C=N/c2ccc(OCCCCCC)cc2)cc1 4667511 RMYBXWKWCIDRPY-MKYUKRCKSA-N 408.586 7.710 30 40 HKEB Clc1cccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1 5020879 NARUHOXIVIYSCE-CVKSISIWSA-N 412.880 6.385 30 40 HKEB CCc1cc2c(N/N=C3\C[C@@H](c4ccccc4)Oc4ccc(C)cc43)ncnc2s1 5719352 LMWJINSYVSSFOJ-LMTFXULLSA-N 414.534 5.902 30 40 HKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(OC)c2O)c1 6396809 ZNCZEPZSCROSJG-CIAFOILYSA-N 405.292 5.043 30 40 HKEB COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 25076116 DBCZYVJXYLENCN-FQEVSTJZSA-N 407.510 5.287 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O)CC(C)(C)O 33820678 JVBPQHSRTHJMLM-WTHMTOCBSA-N 416.646 5.705 30 40 HKEB in-vitro Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1C 35646790 RBWAEUQBAXTBAF-NDENLUEZSA-N 419.462 5.363 30 40 HKEB Clc1ccc(Sc2oc(/C=N/Cc3ccccc3)cc2Br)cc1 59678514 VESFKBOAPVUHNJ-CIAFOILYSA-N 406.732 6.466 30 40 HKEB CCCCCCCCOP(=O)(/C=C/c1ccccc1)OCCCCCCCC 95876288 QJBHYQLPZLPAPU-BSYVCWPDSA-N 408.563 8.605 30 40 HKEB CCCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 97946884 NANPELXZNDBANY-HMMYKYKNSA-N 417.571 6.647 30 40 HKEB CCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 98003628 SIBUBLABMJANOI-UHFFFAOYSA-N 400.544 5.977 30 40 HKEB CCCCCCCCCCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 100600747 QWJQTSQEZNSLLU-UHFFFAOYSA-N 422.638 7.399 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4cc(Cl)ccc4o3)cc1)OCO2 103764246 KHDATCLTSFACJP-AUEPDCJTSA-N 421.796 5.536 30 40 HKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 224711290 RZHHUZXBQCIZPI-UHFFFAOYSA-N 410.244 5.394 30 40 HKEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cccc1OC 408530214 JRFGQDDLQFAOAC-PDGQHHTCSA-N 415.898 5.150 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408855531 NULHIHYEGMZJSM-RMORIDSASA-N 403.265 5.555 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1C 408955755 YZHWMELNODBIFB-FRKPEAEDSA-N 404.045 5.014 30 40 HKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c(Br)c1 409102743 ZUZUIDNXDZWSLK-QRVIBDJDSA-N 416.771 7.313 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc(C)cc1 409114924 DZEIJVHMMZIIIH-UHFFFAOYSA-N 401.550 6.486 30 40 HKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Br)c2)ccc1Sc1ncccn1 409119296 SQFCZZLGMICCKP-NHDPSOOVSA-N 415.272 5.049 30 40 HKEB O=C(c1cccc(OC(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242655 CPWZKZGIXUMGNC-UHFFFAOYSA-N 408.138 5.236 30 40 HKEB COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC 3093692 RICAIFSPWSBUDV-OGLMXYFKSA-N 408.457 6.253 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 4554202 AMZCRDQGRYPGIL-PJAVDKHJSA-N 420.553 6.632 30 40 HKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 5960991 WQQFQDFCLJFCNF-MTJSOVHGSA-N 406.821 5.184 30 40 HKEB biogenic CCCCc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 6757153 OGGOZALJJXPGLI-YZSQISJMSA-N 422.366 6.839 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 13303322 GWZAMKMNJBNMTJ-WGOQTCKBSA-N 414.896 5.919 30 40 HKEB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 13570341 PVZDNEXKHNCHNC-QVKFZJNVSA-N 406.869 5.300 30 40 HKEB CC[C@@]1(C)Cc2c(sc(/N=C/c3ccc(Br)cc3)c2C(=O)O)CO1 20100212 VIJDRVLJUNWOON-VTTDFXIBSA-N 408.317 5.201 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 35646675 SFNUBTJTJJYKMV-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(OCC)cc1 100259722 GHVOVZIUHJARCB-RDHMHZQQSA-N 409.555 5.165 30 40 HKEB COc1ccc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 100364562 FLPYQDPVXZYOSQ-BUHFOSPRSA-N 411.860 5.875 30 40 HKEB C=CCS[C@H]1N=C2C(=C(O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 101321683 KZFZDPUCNIILPV-VWLOTQADSA-N 416.590 6.080 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 253531415 LGWMHNQKTCVZTP-PPEUYNDOSA-N 421.537 5.481 30 40 HKEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 408594098 SDWAPRVHTUQGTL-FOKLQQMPSA-N 415.674 5.785 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408738742 NJOWLDPDLHKBDB-DHDCSXOGSA-N 407.720 5.303 30 40 HKEB CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 408979414 CKUGMIFVJJGSTD-ONUIUJJFSA-N 424.610 6.229 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 409210733 GOTFJZHZPFDPDZ-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB O=S(=O)(Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl)c1ccccc1 409213281 TZJJWJBKCXSPSH-LPYMAVHISA-N 406.290 5.512 30 40 HKEB Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 409214191 WEQLUZAWFIITEH-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Sc2ccccc21 409316524 YSXUONLELWEAKL-JAIQZWGSSA-N 420.402 5.625 30 40 HKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccccc1 409321131 GRGBVWTZTMTHFJ-UHFFFAOYSA-N 410.315 5.089 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1Cl 678353 HSHVAMKORWZLOF-UHFFFAOYSA-N 419.348 6.394 30 40 HKEB CC[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 1078246 KGZBSZSTTNWULN-YKSBVNFPSA-N 403.522 5.495 30 40 HKEB CC(=O)Oc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1441361 LUZNKSOQSNLWII-HSZRJFAPSA-N 412.489 5.361 30 40 HKEB COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1OC 2356523 HMEFMNNBIJCPNQ-XMMPIXPASA-N 401.487 5.570 30 40 HKEB COCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 2783175 SCCWLIOQQCIQEO-BBBBUXBTSA-N 407.322 5.244 30 40 HKEB N#CC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1 3318483 VGAGRPVGIRAZCZ-UHFFFAOYSA-N 415.364 5.737 30 40 HKEB N#Cc1ccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)cc1 3363380 CYTVTFRIRBCEAK-UHFFFAOYSA-N 416.575 5.337 30 40 HKEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc2ccccc12 4436026 XJIDGSAGJNKPMU-AVRWGWEMSA-N 406.489 5.155 30 40 HKEB C=CCN(c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)c1ccc(OCC)cc1 4709953 IWTRCAMOCUSCMG-HMMYKYKNSA-N 410.564 5.240 30 40 HKEB CC[C@H](C)/N=C1/Sc2nc3cc(C)ccc3cc2CN1Cc1ccc2c(c1)OCO2 4858988 VNCBEEIQQWUFQU-UPCARPLXSA-N 419.550 5.534 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@@H]2c1ccc(Cl)cc1 6050227 NJLQEOZXLRLTMG-LJQANCHMSA-N 419.912 5.432 30 40 HKEB Cc1cccc(-c2cc(/C=C/c3ccc(C#N)cc3)c(C#N)c3nc4ccccc4n23)c1 6516926 WOBYRRSDOUCFSD-BUHFOSPRSA-N 410.480 6.377 30 40 HKEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)c1 9233783 UQTSOUPGBGUMHC-UFFVCSGVSA-N 419.662 5.507 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)ccc1O 36623999 LWFIYCGPQQWUES-DZFTXKSVSA-N 418.537 5.438 30 40 HKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(/N=N\c2ccccc2)cc1 100237736 BSKGKIBDPRRTJY-JXXUREIGSA-N 420.310 7.063 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 101510723 BCURXPBCRVGFAN-RCXJIHSJSA-N 416.646 7.824 30 40 HKEB COc1cccc(/C=N/c2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1O 102417454 QDHOHYBSIZBOSF-CVKSISIWSA-N 400.478 6.257 30 40 HKEB Cc1cccc(S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 103747753 RDAMZMBTLYIGEO-LSDHQDQOSA-N 401.940 5.576 30 40 HKEB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1 119183551 SQQPSUJRXSKDHI-QPACXHIWSA-N 416.690 7.254 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Cl)c3)c3ccccc32)c1 408542648 MURGJCHYQZKNSP-VULFUBBASA-N 402.881 5.880 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 408586267 MKUWDGNYJFJKKN-UHFFFAOYSA-N 417.549 7.471 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1OC 408911467 JQBMASBTUIAKKY-QMSJJHEMSA-N 424.566 5.662 30 40 HKEB CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OCC 408965664 LGVBRDPERQQFBL-VCHYOVAHSA-N 420.893 5.168 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409075950 ZFLFACFPQRJSEX-QQUGTJAQSA-N 415.799 5.890 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409210461 IUSRAYJYPGGSHN-CVKSISIWSA-N 422.912 5.815 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl 409277747 BVCSPICDQRIQFV-UHFFFAOYSA-N 400.309 5.633 30 40 HKEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cccs1 409310705 WEHHGSFXWGJJIC-UHFFFAOYSA-N 416.344 5.150 30 40 HKEB FC(F)(F)C(CCOc1cccc(Br)c1)(C(F)(F)F)C(F)(F)F 1083809796 KBOISTTXIQFPPW-UHFFFAOYSA-N 419.081 5.891 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1c1ccccc1 3263802 NBDZBUIBAPGHGR-JOCHJYFZSA-N 418.949 5.933 30 40 HKEB Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3cccs3)cc2)c(C)c1 4118396 DKSFDIYPLNJANG-ZHACJKMWSA-N 412.532 5.337 30 40 HKEB CCn1cc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c(C)n1 4651559 GSVVJZATHITTBT-HXALRYMHSA-N 404.558 5.248 30 40 HKEB C=C1CCCC(C)(C)[C@H]1CC/C(C)=C\Cn1c2cccc(=O)c-2nc2ccccc21 5132235 APNRZHLOPQFNMR-XBXLIOEISA-N 400.566 6.610 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(C)c4O)cc3)nc2c1 6449714 OKPTZCQVRDETFD-FYDYWCEBSA-N 418.924 7.426 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)cc2Cl)n1 8992177 XFAQHLNWBSIFPP-UHFFFAOYSA-N 419.299 6.869 30 40 HKEB O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195606 XJLSXOGMDBFVHF-LSFURLLWSA-N 408.216 5.424 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)o1 13769816 XIDXGWNELCIAHS-JMIUGGIZSA-N 401.245 6.090 30 40 HKEB CN(C)c1ccc(/C=N\c2ccc(OCCCCCCCCCCC(=O)O)cc2)cc1 17110212 PHDJERWUKXIOQC-MEFGMAGPSA-N 424.585 6.478 30 40 HKEB CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19832372 OANZFXWEZSNEOS-UHFFFAOYSA-N 420.597 5.506 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c2ccccc21 28182834 YTEIWYKHMFUXPU-SNNLMFDCSA-N 416.521 5.357 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100729842 AACVHOJFBPWOJG-TZBSWOFLSA-N 410.663 5.588 30 40 HKEB COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cn1 101748851 GFUDZNOOPYZEJB-JAIQZWGSSA-N 403.301 5.656 30 40 HKEB Fc1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 108055232 SBWACYCMTWBRHB-UHFFFAOYSA-N 404.495 5.910 30 40 HKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408527099 AOYVXIYPVZPUNL-PDGQHHTCSA-N 416.930 5.337 30 40 HKEB CCOc1ccc(/C=N/c2cccc3ccccc23)cc1I 408904658 MTECFZQPLRTYRS-FYJGNVAPSA-N 401.247 5.594 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1OC 408906372 IUVIOCFTHAXJES-ZSICUCBDSA-N 410.539 5.335 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408976500 FUEPKYOIVGVSHE-JVWAILMASA-N 412.558 7.467 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1O 409210211 FNENUGVKWMORIC-DSKMXOTJSA-N 416.974 6.279 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1 2784332 YSUBIOIMOXDQEK-QHCPKHFHSA-N 424.585 5.090 30 40 HKEB CCOC(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 4124325 WONXPQQWZMEWHF-UHFFFAOYSA-N 402.519 5.641 30 40 HKEB CN(/C=C1/C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O)c1ccccc1 4522748 BFJVQHDAYWRUQQ-DGDHWNIJSA-N 421.625 5.979 30 40 HKEB CC(C)(C)C1C/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)C1 4647052 CSAQVKRPWQPHMM-DCIPZJNNSA-N 400.387 5.181 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c1 5186578 MYSZQYCJWNNSBQ-NDENLUEZSA-N 408.910 6.108 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 7495964 HMECAYOOCWAWFP-CMJOXMDJSA-N 415.880 5.698 30 40 HKEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 7496067 YJXKXDKFSJBKOM-KXPGVVDISA-N 417.512 5.998 30 40 HKEB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl 8811791 PVSSRTJIAMUKIK-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB N#Cc1ccc(/C=C/c2cccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 13403163 MNLZMTAAZOKFIN-KBXRYBNXSA-N 422.400 5.587 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)s1 19847867 QXTJFNRAFHZODL-LHSJRXKWSA-N 413.564 5.043 30 40 HKEB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N 28540219 FCLQVVAIERZNQN-UHFFFAOYSA-N 401.516 5.971 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 59484278 ZJZJOMDPJSCBRW-BUVRLJJBSA-N 414.490 6.140 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 226335385 UWNPTZZTBZGTGN-MDZDMXLPSA-N 417.299 5.088 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(OC)c1 408851825 AIUZLCYLOSSXMU-MYYYXRDXSA-N 420.534 5.647 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 408945058 VSQCNJFYHFWKGF-VRBUYGJOSA-N 414.936 6.931 30 40 HKEB O=C(COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 409057735 QNXKWONDNYLRII-YDZHTSKRSA-N 409.829 5.016 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 409079571 KZSSEZAVMLTUJK-CFDZAGTRSA-N 402.903 5.068 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc(Cl)cc3)c2C#N)C1 409086469 QUFGEFDMAYWKAS-WJGWSCHNSA-N 421.997 6.965 30 40 HKEB CC(C)Oc1ccc(Cl)cc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409087124 GKLJRPRRQKLCOB-NCQSQGRDSA-N 415.002 6.962 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N\c1cccc(I)c1 409235902 CVOKPXBSMUDNRK-STZFKDTASA-N 420.294 5.041 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 4414714 WQICXLMOUGTTEG-VWLOTQADSA-N 420.528 6.159 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 5163523 YVUASLQDINPIKL-PTHMFHIQSA-N 409.555 5.028 30 40 HKEB C/N=c1\scc(-c2ccc(OC)cc2OC)n1N=C1CCC(c2ccccc2)CC1 6312760 AZRYXEMISTXIFG-RHIXKDPBSA-N 421.566 5.326 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2C#N)C1 6881138 IZXIKLGGOCHOTF-AWEZNQCLSA-N 402.523 5.060 30 40 HKEB Cc1ccc(N/N=C/c2cc(Br)c(O)c(Br)c2)cc1Cl 12312201 SWDHMMXPRZGZJX-CNHKJKLMSA-N 418.516 5.325 30 40 HKEB COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 12406406 JPBJSCHBNFSPRF-SNILEUMVSA-N 402.416 5.467 30 40 HKEB CN(C)c1ccc(/N=C2/C/C(=N\c3ccc(N(C)C)cc3)C(=O)c3ccccc32)cc1 16971014 PSDGZRPAKLWCRC-MPCRXZSDSA-N 410.521 5.299 30 40 HKEB Cc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1C 16974404 SBMTUJGPURRSKU-UHFFFAOYSA-N 400.329 5.195 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1Cl 17093380 VBGUGTRWJXCEJO-PKNBQFBNSA-N 422.937 6.372 30 40 HKEB COc1ccc(CN/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1OC 20196383 AWQZRJOLQPKDFO-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB N#Cc1ccc(CSCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 40120817 AHQSIEFJKKTMRR-NRFANRHFSA-N 410.589 5.089 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCOCC2)c(F)c1 48252882 PSHRKMJEEGRGSW-RMKNXTFCSA-N 411.860 5.472 30 40 HKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1cccs1 59514574 YKRPPOWFLFNIRG-JFLMPSFJSA-N 401.499 5.256 30 40 HKEB CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC 59996635 LVAGMBHLXLZJKZ-UHFFFAOYSA-N 418.618 7.501 30 40 HKEB biogenic,in-vitro O=C(Nc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 100113827 GCMDNTZPKZULMN-MXAYSNPKSA-N 413.355 5.617 30 40 HKEB c1ccc(CC(=NNc2ccccc2)/C(Cc2ccccc2)=N\Nc2ccccc2)cc1 245239552 KIVQHQYEIKVWGY-AVIMUQFTSA-N 418.544 6.408 30 40 HKEB C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](CC=O)[C@@]3(C)CC[C@H]12 253504169 CZNBRGKOCBBHEM-HRZXSAKVSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1Cl 408594974 VDZRCKDBJMNTGF-RWPZCVJISA-N 413.908 6.074 30 40 HKEB O=[N+]([O-])c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408719163 IIFATVLLRRNSEM-WSDLNYQXSA-N 421.800 5.222 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl 409012177 JIVCYWVNKZCHCS-HIPMGEKLSA-N 421.349 6.062 30 40 HKEB C[C@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@H]2c1ccc(Cl)cc1Cl 1071935 PXJUOYIUUPMWMQ-MQJDWESPSA-N 411.288 5.797 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 3772450 IHBDMQRWQKIIST-WKULSOCRSA-N 420.541 6.124 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1Cl 4045017 UIAXPGNKRBBTBN-HSZRJFAPSA-N 422.355 7.347 30 40 HKEB biogenic Cc1ccc(Sc2nc(-c3ccccc3Cl)cc(C(F)(F)F)c2C#N)cc1 4052739 PODBGTFKAJSILR-UHFFFAOYSA-N 404.844 6.752 30 40 HKEB Brc1ccc(/N=N/C(=N\Nc2nc3ccccc3o2)c2ccccc2)cc1 4099426 RXBRWOUFDPQNEN-RCDUIJEOSA-N 420.270 6.148 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C#N)C1 5902677 MVVHWXJHDOGKNN-ZDUSSCGKSA-N 417.372 5.786 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1ccc(Cl)cc1 6189488 FFJGNLJQGMJCTD-UHFFFAOYSA-N 422.912 6.265 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\CCC/C(=C(/O)C(F)(F)F)C3=O)cc2)cc1 6694322 WLJQWXPMQFWFEP-PVTBXJRFSA-N 402.412 6.085 30 40 HKEB C[C@@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 11416247 YAKKXWBGGAERBK-KRWDZBQOSA-N 421.545 5.117 30 40 HKEB COc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1 12377932 HNJTYCFUJUTFNA-XMHGGMMESA-N 415.445 5.277 30 40 HKEB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 12654082 RYZOQJGBGALJTK-FBKSUXFZSA-N 403.680 6.501 30 40 HKEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)CC1 20649986 KUXMXGDJSZHHGI-JMIUGGIZSA-N 418.320 5.547 30 40 HKEB CCCCCCCCCCCCCCCCCCn1c(=S)[nH]c2ccccc21 97951848 KHDDHGCKJHOEKC-UHFFFAOYSA-N 402.692 8.960 30 40 HKEB CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@H](C)OC(C)=O 100311984 NSIHRBHUXHGZFY-QHCPKHFHSA-N 411.671 7.048 30 40 HKEB CCCCO[C@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103539285 FALRNNRIEOOHTH-ZETCQYMHSA-N 400.228 5.269 30 40 HKEB COc1ccc(OC)c(/N=C\c2ccc(/C=N\c3cc(OC)ccc3OC)cc2)c1 104192162 UFWBWAPCZZHREP-YXHOTNNGSA-N 404.466 5.222 30 40 HKEB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 215723894 NNGNNDIAJDKNDK-OXVLKEGXSA-N 423.969 6.222 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408818750 OSAFNLMMRIQSBO-ATVHPVEESA-N 401.871 5.154 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 408908013 DDLYUSCAQGCQMA-GLFPGZLVSA-N 400.547 6.551 30 40 HKEB Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O 408910348 KFGAPDYEUBLYIR-OTKAWYOPSA-N 404.560 6.422 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c(C)c1 408948881 RQSDLOVJKISGGB-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(=O)O 409203376 VVSDZAMQUVPTLE-ZMOGYAJESA-N 411.841 5.355 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)cc1 409249980 KPCQBODLLSJIEH-YZSQISJMSA-N 412.445 5.727 30 40 HKEB Brc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 821774 HTBIXTZTUGIWKS-HZHRSRAPSA-N 411.299 5.296 30 40 HKEB C=CCSc1nnc([C@H](C)c2ncc(C(F)(F)F)cc2Cl)n1-c1ccccc1 3134793 FAUYJGBHTQVZNC-GFCCVEGCSA-N 424.879 5.764 30 40 HKEB CC(C)=CCCC1=CC[C@@H](/C=N/n2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 4816263 PTCHRNVRDYQMRO-HZWOONMDSA-N 422.504 5.275 30 40 HKEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(OCc3ccccc3)cc2)c1 5736947 GQXVQVXQEQEUSG-LGJNPRDNSA-N 404.819 6.384 30 40 HKEB N#Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(F)c1 6496539 IXXOXJDALIAQPS-UHFFFAOYSA-N 407.404 5.911 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 9089444 VAXDFWSCAWAJOS-HXUWFJFHSA-N 407.828 5.262 30 40 HKEB C[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)N1CCCCC1 11416316 DLRIWRZCBPAKLP-QGZVFWFLSA-N 421.545 5.117 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccccc1N2 12652245 DYRXXLNDGPKCRY-QHCPKHFHSA-N 404.491 5.091 30 40 HKEB CCOc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1OCc1ccc(F)cc1 16693325 YESRSFBRFWDJSO-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)s1 19805477 FLGGTXBRYCCAGS-FQEVSTJZSA-N 401.572 5.213 30 40 HKEB COc1ccccc1CN/N=C/c1c(OCc2cccc(C#N)c2)ccc2ccccc12 20763491 MBGLIKWOABNFRN-UXHLAJHPSA-N 421.500 5.423 30 40 HKEB S=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@@H](N2CCCC2)C12CCCCC2 33435860 DUINUOPVOYFWBA-NJGKLKBPSA-N 409.643 5.980 30 40 HKEB COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1OC 81217800 QEHAREJFZQWFSR-FOCLMDBBSA-N 411.457 5.108 30 40 HKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 100103338 GXMOBDSRECTWGH-VDQGFZQOSA-N 409.514 6.285 30 40 HKEB CCCCCCCCN(CCCCCCCC)[C@H](C)[C@H](O)c1ccc(Cl)cc1 100691170 LOECSSCDXGDTPJ-RDGATRHJSA-N 410.086 7.785 30 40 HKEB Oc1c(/C=N/C2CCCCCC2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 102527742 JAWDRYILECOUNC-FOKLQQMPSA-N 408.449 5.348 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 102616170 IXXZHWNSIRWGOO-MRJHHRETSA-N 421.855 5.414 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 103007545 KBSAUTOZWSLSDK-FYYLOGMGSA-N 416.650 7.542 30 40 HKEB CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F 103526156 MILQBEVAWUBARL-UHFFFAOYSA-N 408.486 9.081 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/N=C/C=C/c1ccccc1 103529073 JTIVNXQUASPVCN-FPLBCCSPSA-N 424.367 5.765 30 40 HKEB CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccccc2)cc1 104095744 DADCKPIJNGYQFJ-QURGRASLSA-N 406.678 8.626 30 40 HKEB COc1ccc(/C=C\C2=CC(=O)C[C@H](/C=C\c3ccc(OC)c(OC)c3)C2)cc1OC 104195348 XIRQHZXXHMDKQE-APYSYSHUSA-N 420.505 5.353 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(NC(C)=O)cc1 104373379 LZKJIHMWNRUQNX-HKOYGPOVSA-N 404.624 5.364 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408872006 IYJSRHQBHNDNNA-ZINSTRHDSA-N 420.534 5.568 30 40 HKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1C 408951663 UUYYPDVEBODVCA-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 409037506 NUOPQOBTPZOLLQ-ZNLRHDTNSA-N 415.740 5.461 30 40 HKEB COc1ccc(/C=C/C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409284783 RPSMXHQTMSBCBB-JTKJUPQTSA-N 421.456 5.366 30 40 HKEB CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 4186060 VBPCTBWRUOBESF-XMMPIXPASA-N 412.533 6.224 30 40 HKEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c2cc(CC)cc4[C@H](C)CC3(C)C)cc1 4740269 PMXNLDSYQRCAGY-UWKWSCNSSA-N 404.510 5.179 30 40 HKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1C1CCCCC1 6947076 VIDVWUNZVMJWTD-HXUWFJFHSA-N 408.596 5.663 30 40 HKEB Cc1ccc(-n2c(SCC(=O)c3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 9264942 GDJQSIITJOWZEZ-UHFFFAOYSA-N 410.502 5.089 30 40 HKEB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9477063 IATBFUYNSORBPE-VFNWGFHPSA-N 406.869 5.300 30 40 HKEB CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N\OC(=O)Nc1cccc(Cl)c1 12855660 KUJZPNZQGJQNNZ-XLNRJJMWSA-N 405.838 5.278 30 40 HKEB O=C(C(=N\c1ccccc1)/C(=N\c1ccccc1)C(=O)c1ccccc1)c1ccccc1 16954341 WQMMIFSPFCPWEG-ZUSIYWPSSA-N 416.480 6.298 30 40 HKEB CCCn1nccc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 36619588 NTWGOOVKOLVKLF-DBSHLPGZSA-N 404.558 5.330 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1Cl 59250104 JHQMWCKPMBMPGR-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@@]21C 79367922 QGVQZRDQPDLHHV-VEIPTCAHSA-N 402.732 8.326 30 40 HKEB CCCCCCCCN(CCCCCCCC)C(=O)C12CC3CC(CC(C3)C1)C2 101106703 NWBLBUAUGLEPEH-UHFFFAOYSA-N 403.695 7.752 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 101109521 IRXDDUHAPDEDOX-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935249 YBGNTBYIXGTDRY-DFMSPESFSA-N 401.679 7.938 30 40 HKEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224966377 DZXQJIDIXDHAPL-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 408673809 VPCKPTFSRPGULV-JOCHJYFZSA-N 402.579 5.455 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/C=C/c3ccccc3)S2)cc(C)c1Br 408764569 XMRNVISKJGZBAG-XEWCJNAKSA-N 413.340 5.514 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1O 408855826 FSTSMCMOXBIMOG-LFVGNQPMSA-N 422.550 5.584 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1 409117972 YISDENNYBKEIFM-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1OCc1ccc(C(=O)O)cc1 409187392 PWVMWEPLOHPVPP-YUMHPJSZSA-N 417.505 6.021 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409209173 GDZQXWSSQWTGKB-KGENOOAVSA-N 419.889 5.746 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409218932 YPAJYBGCCURFGB-BUVRLJJBSA-N 413.926 5.729 30 40 HKEB O=C(COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1 409226689 REQAFBZHCITDBZ-QRVIBDJDSA-N 409.829 5.016 30 40 HKEB Cc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 715821 NRBSTIBNQIQQSP-UHFFFAOYSA-N 408.457 5.811 30 40 HKEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1O 1423237 YOORQQWKEIUULV-JOCHJYFZSA-N 400.478 5.150 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 2285113 KBJLIYUOQQYHHT-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CCOc1ncccc1C(=O)N1/C(=N/c2cccc(C(F)(F)F)c2)SCC1(C)C 2643306 VFQVFJDFWADMCH-BWAHOGKJSA-N 423.460 5.154 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 5376604 OXNQODDWVLGEPU-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2O)cc1 6780862 YVLFKRUHUFYFDW-BOPFTXTBSA-N 404.413 6.002 30 40 HKEB CC(C)CSC1=Nc2ccccc2/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 12856355 ULPKEROLNHKSOD-KQWNVCNZSA-N 412.773 6.896 30 40 HKEB N#CCCn1cc(CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c2ccccc21 22357371 NHNHHHJTTLCRFT-RUZDIDTESA-N 418.544 5.958 30 40 HKEB O=C1CCCC2=C1C(c1ccc(OCc3ccc(F)cc3)cc1)C1=C(CCCC1=O)N2 27572021 XRUVUNDUDFOXOG-UHFFFAOYSA-N 417.480 5.106 30 40 HKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)o1 27983938 WUOYDXBMEBPXBG-UHFFFAOYSA-N 403.265 5.541 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 51366850 LKQYULGPIDNFCE-MNWLEOAJSA-N 401.535 5.392 30 40 HKEB O/C(=N\Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 97944590 LVRWTPXFKPFLOT-UHFFFAOYSA-N 419.646 5.516 30 40 HKEB CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925839 RUVUHIUYGJBLGI-HRXYDHEWSA-N 412.702 8.233 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N 118932309 AGLFPKUPDNYHTN-QJHBFUJVSA-N 409.574 5.534 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 408526325 ASXRPCNPVJRTQK-WQRHYEAKSA-N 420.317 5.795 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408595528 XFIJENFAKGJFRO-FSJBWODESA-N 413.861 5.215 30 40 HKEB CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1OC(C)C 408925726 SLYOQDBJAHXQRN-UHFFFAOYSA-N 423.553 5.306 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3Cl)c2C)c1 408967507 SWLCATJQZXEXQS-DHRITJCHSA-N 424.884 5.373 30 40 HKEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC(C)C 409202218 QGTKZKBBFDJIEH-SOPDTMHMSA-N 410.967 5.225 30 40 HKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3C)cc12 409294009 MXJALHBBPZPMKJ-UHFFFAOYSA-N 409.445 5.009 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 1077077 PFEPNBKIRPUXAR-HFJWLAOPSA-N 414.936 6.628 30 40 HKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 2053244 ZKHFICIRSYCUDS-WQRHYEAKSA-N 415.301 6.145 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 2391687 YPVAGFIRQZUGST-UHFFFAOYSA-N 408.611 5.993 30 40 HKEB Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3sccn23)cc1Cl 3133811 QRVRMJIICZJNOM-SSDVNMTOSA-N 402.306 5.920 30 40 HKEB Cc1cc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(C)n1C[C@@H]1CCCO1 5406503 DLZGOYRPRODPEJ-DEOSSOPVSA-N 414.505 5.084 30 40 HKEB COc1cccc(-c2nnc(SC[C@H](C#N)CCC#N)n2-c2ccc(Cl)cc2)c1 9646806 QBLLWMQZCQLIEP-HNNXBMFYSA-N 423.929 5.132 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Br)cc1 11565581 GFUHCXDRAKOACN-RMKNXTFCSA-N 422.105 6.912 30 40 HKEB N#CC1(C#N)C[C@H](C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 13511765 HTWAUSQLONLFDW-XMGLRAKGSA-N 418.496 5.596 30 40 HKEB COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1O 31854544 TUJOKQLHODCKAN-WNFQYIGGSA-N 424.309 5.286 30 40 HKEB C=CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40160246 ZKQMTHRDLPUSPG-YGMDYZATSA-N 423.516 5.241 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C\c4ccc(O)cc4)cc3)cc2)cc1 100644058 ZZSCOBSBVCVPGZ-QYEWKMJJSA-N 421.456 6.469 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(C)cc1C(=O)O 136173871 BUSUZMBEFVOKEQ-UHFFFAOYSA-N 419.606 7.723 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC 408531143 OMZNJXNMYHXQIN-PDGQHHTCSA-N 402.903 5.029 30 40 HKEB CCn1c(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21 408692546 OYPGNUKAKIXZBA-MFKUBSTISA-N 404.901 5.735 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408862847 IFYGUFDLXXSNOW-ODLFYWEKSA-N 400.931 5.575 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408914539 YJFMNVCSGPVIOU-AFUMVMLFSA-N 404.466 5.028 30 40 HKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccccn3)c(C#N)c(-c3cccs3)c2C1 663481 FDPZALKHHMSFIB-INIZCTEOSA-N 419.619 6.520 30 40 HKEB Oc1cccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cccc(O)c2O)c1O 833208 AVBUPRSSBHWJCS-DPCVLPDWSA-N 424.456 5.677 30 40 HKEB C[C@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccccc1C(=O)O 979452 HNGRNUBGTGGOHR-INIZCTEOSA-N 413.517 6.067 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1 3113246 GYDMPBOBSDCFRY-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB Cc1ccc(-c2cc(/N=C/c3c(Cl)cccc3Cl)n(-c3ccccc3)n2)cc1 4413478 JHUHMSDMUYUJBL-CVKSISIWSA-N 406.316 6.905 30 40 HKEB COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1O 4600042 NIEFAJLQVNJLHD-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB CCOc1nc2c(c(-c3ccccc3Cl)c1C#N)CC/C2=C\c1ccccc1Cl 8781174 YZVJKQOEAMMLPN-DTQAZKPQSA-N 421.327 6.813 30 40 HKEB N#C/C(=N/Nc1cccc(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 11852446 KBVGALAGUZUZDG-HAHDFKILSA-N 417.719 5.566 30 40 HKEB CC[C@H](/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C 16953302 KVPXFJKDHHAEGO-UPZJTNLBSA-N 421.759 6.619 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)c1 33027022 DJWRTCLMYYSUDY-UHFFFAOYSA-N 417.440 5.753 30 40 HKEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 97953119 QNDWKEZNHNXNOO-UFYCRDLUSA-N 422.573 5.233 30 40 HKEB COc1ccc2cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc2c1 101474442 CPFWEKAWYIKELM-UHFFFAOYSA-N 404.228 5.499 30 40 HKEB CCCCCCCCCCCCCCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] 104103095 NULHATKDONUWHY-VYIQYICTSA-N 409.614 8.939 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1 226335298 RWPKSSJBCYTHKY-MDZDMXLPSA-N 417.299 5.088 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408656906 HVAKSHXKYMVICS-MKMNVTDBSA-N 422.908 6.222 30 40 HKEB CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408954448 SZXIJSXMZCAHRR-TWKHWXDSSA-N 423.604 6.762 30 40 HKEB COc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1OC 408975233 KWVSOVIVSKTOIR-WYMPLXKRSA-N 415.405 5.511 30 40 HKEB CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409209960 HGKXWVBDTNPFSY-NLTKLDOMSA-N 424.610 6.709 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409213668 UIIHYMJJKKAFEN-BRJLIKDPSA-N 420.723 6.985 30 40 HKEB Clc1ccccc1COc1ccc(Br)cc1/C=N/c1ccccc1 409216969 QDGUGQBVWWNNSH-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1O 409275615 KPKBBYMFSXJTLB-UHFFFAOYSA-N 415.836 5.051 30 40 HKEB CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 792218 ITJVHBKOOGDHPY-UHFFFAOYSA-N 420.336 5.435 30 40 HKEB COc1cccc(C(=O)/C=C/Nc2ccc(Br)cc2Br)c1 4364075 XFFHTDIYESWLLM-BQYQJAHWSA-N 411.093 5.029 30 40 HKEB Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 4651589 QQBKZPLGKBYNRX-VCOYLKHHSA-N 404.558 5.074 30 40 HKEB Cc1cc(Nc2ccc(/N=N/c3ccccc3)cc2)n2c(nc3ccccc32)c1C#N 5336967 AIZJZLRIGSEIMD-QVIHXGFCSA-N 402.461 6.827 30 40 HKEB CCN1C(=O)/C(=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 6496997 CIOXUMKYROOESU-RMLRFSFXSA-N 417.468 5.973 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(Br)c(C)c(Br)c2)cc1 7939566 KXJXYDBEVFNGMR-FPYGCLRLSA-N 410.105 5.425 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OCC 8363373 ZJMBFYHLTBJLNU-AIQBXGKYSA-N 424.566 5.888 30 40 HKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 12339618 KGCULKJZSULNHU-SFGFDRCGSA-N 412.143 7.520 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1 17023276 YVSSQMPXTGEUPV-ZMOGYAJESA-N 400.261 5.972 30 40 HKEB CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl 17090927 KJGRHYDSAIXIPU-CQSZACIVSA-N 416.974 6.075 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Cl)c4O)cc3)nc2c1 17091713 BTTAQVXVLGEABH-NKZWWHGNSA-N 418.924 7.426 30 40 HKEB CCCn1nccc1/C=C1\C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O 36619598 JCOSBAWMYWWBFV-RNQQNZJUSA-N 404.554 5.420 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccn1-c1ccccc1 59248020 BLVVQBXWRRKMDK-PDGQHHTCSA-N 414.317 5.676 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 59459722 KDGFXQXTBIXPHD-FXZATJRASA-N 421.903 5.246 30 40 HKEB COc1ccc(-c2ccc(/C=C/C(=O)n3cc(C#N)c4ccccc43)o2)cc1Cl 226362573 UEOUPCXPGXTZQV-DHZHZOJOSA-N 402.837 5.789 30 40 HKEB CC(C)COc1ccc(/C=N/Nc2nc3ccccc3s2)cc1Br 408604102 SMDDPOICXRGNEP-KEBDBYFISA-N 404.333 5.540 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc21 408880779 HHEWKZIZDVCOBH-HMAPJEAMSA-N 417.534 5.344 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c3ccccc23)C(=O)N1C 408909844 HRBDQYOFEDKIGG-LBMUFILHSA-N 402.519 5.645 30 40 HKEB O=C1C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)c2ccccc21 408914534 YIYFUDODEFSJLP-UHFFFAOYSA-N 419.274 5.491 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409064202 CCRVUESHSOHQSE-GZTJUZNOSA-N 417.328 5.079 30 40 HKEB CC(C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409403477 MGCGEAIVTXRXPL-UHFFFAOYSA-N 417.896 5.386 30 40 HKEB N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cs2)c1 585295440 ZKPFAJBMFQCHKL-NRFANRHFSA-N 414.538 5.362 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OC 2037854288 HMBSYDPWUMNMQJ-ODSAXCBOSA-N 414.929 5.802 30 40 HKEB COCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1 2362801489 IZSNEJODOIGDRR-UHFFFAOYSA-N 402.582 6.237 30 40 HKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 676801 NEYVEJUKPTULDV-QYBDOPJKSA-N 414.480 5.814 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1752534 FYBCQEOSHUFTDG-QGZVFWFLSA-N 412.580 5.131 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N/CC)N(CC)C3=O)c2C)cc1 4514220 BKDGCRDCQZTYJL-YFGQCYJXSA-N 409.599 5.749 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(F)cc4)c3c2C1 4616139 BBUODEPHMUFXIQ-NKZWWHGNSA-N 410.562 6.208 30 40 HKEB Cc1cccc(/N=c2\scc(-c3ccco3)n2/N=C/c2c[nH]c3ccccc23)c1C 12566211 MUWCJWPMQOUPCI-UQSUQEKASA-N 412.518 6.022 30 40 HKEB Oc1ccccc1[C@H](/N=C/c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1O 16450987 MEEPXMIKAVXUMF-DUERETCSSA-N 420.512 6.118 30 40 HKEB COc1ccc(CN/N=C/c2ccccc2OCc2ccccc2Cl)cc1OC 20195671 KCZAGHNBUZYMOM-CVKSISIWSA-N 410.901 5.060 30 40 HKEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1c2ccccc2Oc2ccccc21 24506714 DMBPPHFKXHWRKV-UHFFFAOYSA-N 407.391 5.111 30 40 HKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1cccc2ccccc12 26570027 JYRIZQSHQFRKKY-UHFFFAOYSA-O 412.365 7.092 30 40 HKEB N#C[C@@H](C(=O)c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 95352986 LHZLOAWNBXYQLO-HNNXBMFYSA-N 412.301 6.088 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)c1 408864018 WHWWRTWQOPAMLY-JNKLAQAPSA-N 420.578 6.186 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(O)c2)C(=O)N1C1CCCCC1 408909840 HQUYCTMIRQWHSV-FTJNEJEMSA-N 406.551 5.891 30 40 HKEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 408937758 JTGOETVFNNQYHZ-WOJGMQOQSA-N 412.272 6.042 30 40 HKEB O=[N+]([O-])c1cccc(COc2ccccc2/C=N\Nc2ccc(C(F)(F)F)cc2)c1 408939768 UHXOEWFBOPPKKY-MXAYSNPKSA-N 415.371 5.639 30 40 HKEB Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)c1 409032066 IBJKYTFDBJHWEW-WMDMUMDLSA-N 409.349 5.425 30 40 HKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C(C)C 409215443 YVBISTUPMLKETD-ZGNGNRKCSA-N 423.365 6.343 30 40 HKEB Cc1cc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1Br 409236194 DVVNRMCTXBMHLG-WGARJPEWSA-N 421.313 6.650 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccc(OC)cc1 409255879 ZYRWEGVRFLYWAF-LRXZINBSSA-N 422.481 5.718 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 3880179 FYSVTOIULMTRSN-SGNDLWITSA-N 421.525 5.341 30 40 HKEB CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 4482006 FJIVHKZWORNFLC-BLOQEJBCSA-N 402.544 6.217 30 40 HKEB COc1cc(/C=N/NC(=N)S)ccc1OCc1c(Cl)ccc(Cl)c1Cl 8798148 WEFWNMABVINRNV-QPSGOUHRSA-N 418.733 5.022 30 40 HKEB Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1Br 8811479 DPZXROWDAXODKM-FSJBWODESA-N 403.707 5.795 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(\C)c3ccccc3)n2)cc1OC 8927102 FZLOHPKKIZYTPZ-RDRPBHBLSA-N 424.504 5.664 30 40 HKEB Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 10119021 QFPZALVFKMKHNB-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 12349944 KTMQQZJAFFZPNS-MCMMXHMISA-N 423.559 5.785 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C\c4ccc(Cl)cc4Cl)ccc3O)nc2c1 15134320 FKCYJNFIZHYLSO-ROTLSHHCSA-N 411.288 6.820 30 40 HKEB CCOc1cc(Br)cc(/C=N\c2ccc(N3CCCCC3)cc2)c1O 16688240 BOTFUNPFJALNTM-HMAPJEAMSA-N 403.320 5.294 30 40 HKEB CC1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1 33027159 JWWWPVXBPFRACY-UHFFFAOYSA-N 413.477 5.775 30 40 HKEB C=CCN1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)SC1=S 38165590 LJENJXXPIDCTIT-UYRXBGFRSA-N 404.560 5.839 30 40 HKEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)n1 84076950 RHAYABQPNSJZRW-SNVBAGLBSA-N 423.489 5.338 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2Cc2ccccc2)cc1 408913018 PBEOUCLIPUWQEC-GCXIQGEKSA-N 418.949 6.453 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 408916031 TXUFWEJOEFACCU-YGRIDATGSA-N 410.539 5.415 30 40 HKEB CCOC(=O)/C(=C/C(=O)c1ccc(Br)cc1)Nc1ccc(C)cc1Cl 409188199 BQYPCNVNWORMHO-BOPFTXTBSA-N 422.706 5.153 30 40 HKEB N#Cc1c(/N=C/c2ccc(O)c(Br)c2)oc(-c2ccco2)c1-c1ccco1 409370889 VGBTZVCERLUNRL-FOKLQQMPSA-N 423.222 5.890 30 40 HKEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 1076991 RHFXJVJALNCPPU-LYZGTLIUSA-N 424.544 6.373 30 40 HKEB Cc1cc(Cl)ccc1-c1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)o1 2054824 ASAOXEJQDOWNDH-JFLMPSFJSA-N 412.876 7.467 30 40 HKEB N#Cc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 2653343 XBSQFPHDOXCOSW-UHFFFAOYSA-N 422.712 5.267 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(-c3cccc(F)c3)oc2c1 3113296 YKLYBHRIPQWEBP-YSURURNPSA-N 401.224 6.397 30 40 HKEB Fc1cccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 4475515 GRDFNTQTDLBPKT-OQIFMASLSA-N 407.901 5.933 30 40 HKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccccc1Cl 12129369 QXNAKQWCGYJUAL-SSDVNMTOSA-N 401.919 5.529 30 40 HKEB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)ccc1OCC#N 12863104 RVJHFVNWSYQJCO-POUQMFDLSA-N 412.489 5.155 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 13550170 LSTKEPUYCJGILS-WMOWQXFYSA-N 416.502 5.512 30 40 HKEB Cc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 16292032 WYWFVBOBTVSSJS-FQEVSTJZSA-N 409.316 6.518 30 40 HKEB Clc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c(Cl)c1 16384970 XFRZUKSYVYLNSL-TXNBCWFRSA-N 416.095 5.353 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)s1 19805475 FLGGTXBRYCCAGS-HXUWFJFHSA-N 401.572 5.213 30 40 HKEB CCCCCCCCCCCCCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 98002667 RFEJQYCJRXDATF-UHFFFAOYSA-N 416.562 6.672 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1 100259761 LAGLAQPTJJVXCW-XMFNYGHISA-N 416.930 5.458 30 40 HKEB CCCCCCCCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 102562054 WJYJBFCGMGUSMH-UHFFFAOYSA-N 410.001 7.522 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC 408612434 VYRMVHOTQXOIJT-UHFFFAOYSA-N 415.114 5.389 30 40 HKEB Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(I)cc1 408779178 BMILLKLXYFUEQZ-WSDLNYQXSA-N 418.253 5.588 30 40 HKEB CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409212083 OUGRRUOLOOIOHL-LFVJCYFKSA-N 410.311 6.781 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 409214423 XKGAPELSNAGHCR-CVKSISIWSA-N 403.478 5.730 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccccc3Cl)c(C#N)c2-c2ccc(C)cc2)cc1 409356787 HMJPMCSNXDQYKF-MUFRIFMGSA-N 410.904 7.506 30 40 HKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 2201343 XSLNNEGIHOZGBN-UHFFFAOYSA-N 410.510 5.104 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C 3088268 GWVAIEVYRZZLBW-YDZHTSKRSA-N 419.393 5.090 30 40 HKEB COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 8811866 MHBUNAKLKUQRLR-DHRITJCHSA-N 415.320 5.705 30 40 HKEB N#Cc1ccc(Cl)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12943265 YGLVEYFRZJGAQW-UHFFFAOYSA-N 422.712 5.267 30 40 HKEB COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)cc1 14250364 PQNRAXGTRIVMBX-UHFFFAOYSA-N 406.825 5.043 30 40 HKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 30823019 SKEVIKLUMPXRJB-XMMPIXPASA-N 406.526 6.003 30 40 HKEB C=CCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nnc1-c1ccccc1 32951272 HZMBYYGONYJKTC-UHFFFAOYSA-N 422.941 6.040 30 40 HKEB C=C(C)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 33313199 IUBKJKNYQQPXPB-XDHOZWIPSA-N 411.299 5.210 30 40 HKEB CCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCC 104179221 FBVIPHHSIBKNAH-DQRAZIAOSA-N 424.666 7.691 30 40 HKEB CN(C)c1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N\c2ccccc2)cc1 104311308 DJWXJQJTFZVOEH-ZINFLPCDSA-N 416.575 6.051 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1OC 408911323 KAOJWYBCXUUIBB-GRUKXCDCSA-N 410.539 5.272 30 40 HKEB CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1c(C)cccc1C 408912381 QBLZHIPIOQEWDD-JUMVDPBBSA-N 416.546 6.089 30 40 HKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc2ccccc12 408932266 VFBQHKGXJIVWJZ-MBTHVWNTSA-N 407.439 6.712 30 40 HKEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc2ccccc12 408935352 DCHXWARTVFAVBC-RGVLZGJSSA-N 421.880 5.787 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 409209557 CKWMWTJJWBLMBS-JVWAILMASA-N 423.940 6.775 30 40 HKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 409210007 IYJVEHSBWWXTDM-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1ccc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C 409290334 SFKAHBMFSSVULJ-UHFFFAOYSA-N 424.548 5.734 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[n+]1ccccc1 2108524 SYUGLBZIXVZTRT-UICHKGEESA-N 422.589 5.500 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2373438 INQLNDFOHYNTMR-UHFFFAOYSA-N 416.525 5.592 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1C 3083455 HNYYGVHGZXUJCD-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CCCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 4058788 PCFVKULZSIUTNB-UHFFFAOYSA-N 414.574 6.580 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 5093640 HUMGFHGTBBTWAL-AXLPEMCNSA-N 419.525 5.613 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1c2ccccc2cc2ccccc12 5610650 XVBXZNWPTKOBQP-HMAPJEAMSA-N 414.917 6.538 30 40 HKEB CSc1ccc([C@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1 9547494 YWBCUJMUQALNIB-KSFYIVLOSA-N 418.518 5.369 30 40 HKEB O=C1/C(=C/c2ccc([N+](=O)[O-])s2)S/C(=N\c2ccccc2)N1c1ccccc1 13756739 QAJYXFYNWQXAOB-GERRWAMXSA-N 407.476 5.465 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1 18322725 UKDJUSMNANOMFN-QYBDOPJKSA-N 412.489 5.590 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3cccc(C)c3)c(C)c2s1 72228764 BWCQBXJAZXPFHS-MYYYXRDXSA-N 410.543 5.437 30 40 HKEB C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)Nc1ccccc1S2 98054655 MPMSNVFDBRWXCH-OEAKJJBVSA-N 409.536 5.134 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cn(Cc2ccc(F)cc2)c1/N=C/c1ccccc1 100334224 YFADLBDNTDZKLP-WKULSOCRSA-N 413.883 6.618 30 40 HKEB CCCCCCCCCCCC#CC#CCCCCCCCCCC[n+]1ccccc1 223744451 SWFGTJAHFNAOSE-UHFFFAOYSA-N 422.721 8.413 30 40 HKEB in-vitro CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 225777684 FWPYQIUGWRNMBQ-UHFFFAOYSA-N 412.917 5.077 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2cccc3ccccc23)c1 408589243 DJPSGQUZFDIOFJ-WGOQTCKBSA-N 412.445 5.878 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408916698 YTIYSWPRVQVUPD-LBMUFILHSA-N 406.551 5.820 30 40 HKEB CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409036465 WFUXTYOUOVVADO-IOMHPIHLSA-N 401.109 5.106 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(C)C 409213749 UNIFTTHJIJRMBQ-BLNASNEQSA-N 424.610 6.565 30 40 HKEB C=CCn1c(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409291208 PFOSSBPUJVIMBS-UHFFFAOYSA-N 424.548 5.776 30 40 HKEB N#Cc1ccccc1C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105666 AMLITINLASPWRP-UHFFFAOYSA-N 412.464 5.073 30 40 HKEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 1310729 ZYMCLTCVNSEGKS-LFVRLGFBSA-N 419.412 5.306 30 40 HKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3sc(C)c(C)c3C#N)nc2c1 1354430 HYDMHGRFIJLURA-UHFFFAOYSA-N 406.536 5.004 30 40 HKEB Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3ccc4ccccc4n3)cc12 3212819 GWBWSTGMVRFJJA-IBGZPJMESA-N 408.486 5.434 30 40 HKEB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 4181663 DITRHTVVQVXPDB-LRAANZKUSA-N 409.489 6.480 30 40 HKEB C=CCc1cccc2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(=O)oc12 4537264 SSBKSGTZMMTUIT-BYYHNAKLSA-N 409.445 6.189 30 40 HKEB CCC(C)(CC)[C@@](O)(C#CC[N+]1(Cc2ccccc2)CCCCC1)c1ccccc1 4808326 RAXYPPAEMQSYTD-MUUNZHRXSA-N 404.618 5.905 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 4869673 ONYKRRVUHYDZCK-IDISGSTGSA-N 423.516 5.311 30 40 HKEB Clc1cccc(Cl)c1Cn1cccc1/C=N/Nc1nc2ccccc2s1 5069834 DJRDLDBONHLBAR-SSDVNMTOSA-N 401.322 5.899 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446064 WFIMRMKSSXICDO-SDHSZQHLSA-N 419.459 5.110 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2ccccc2o1 6473110 JFPCZVUWRWOCPZ-UHFFFAOYSA-N 418.522 5.225 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1F 6615626 FEHDNUHOAAURIR-UHFFFAOYSA-N 406.379 6.210 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1ccc(Cl)cc1 8969979 YJFOAGWLAKLLFV-FQEVSTJZSA-N 420.900 5.237 30 40 HKEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1 9721047 JKJJJEOKVBQOAR-GZIVZEMBSA-N 422.190 5.157 30 40 HKEB C/C(=N/OCO/N=C(/C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 12379015 SJMZXOWRBOWDBK-KRPUJQTQSA-N 420.123 6.439 30 40 HKEB Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 12466698 MCNKNEUWFPOBKM-YUMHPJSZSA-N 422.359 5.715 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 33467550 YQUPKFFMVYWKGH-WHEZCBNMSA-N 422.598 5.085 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)c(C)c1 59459417 AABMIMSUEKOWBR-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=O)NC1=O 97949435 DKXRNWGDXZQRBO-UHFFFAOYSA-N 407.599 5.087 30 40 HKEB CCCCn1c(/N=C/c2ccccc2F)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176617 RFJXBLDUMHAHSQ-AJBULDERSA-N 421.519 7.384 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2O)sc2c1CCCC2 408767933 RIJYTWYTHHNTLM-WGARJPEWSA-N 424.953 5.667 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908408 DVLWLXTZEVFCST-KMCMYJHDSA-N 410.539 5.415 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409095686 IHTLYOPYOYLRNA-AUEPDCJTSA-N 409.751 5.973 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409117433 NMNNNMNHRRCLRM-UHFFFAOYSA-N 409.913 6.708 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(F)cc1 409118700 QPLRTIMSXOIXJO-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409208913 AUARLJMWJAOIFP-ZHUAHHRVSA-N 402.947 5.998 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 409218244 ZOQNKUQXRGRNOZ-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 1035420 LKCQAJVUCPAKCK-QFIPXVFZSA-N 417.940 6.035 30 40 HKEB CCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 1245174 QWCXDOPBCSTBKQ-DEOSSOPVSA-N 404.510 5.248 30 40 HKEB C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 2372201 XJMIJQRJDIVARY-UHFFFAOYSA-N 410.608 5.822 30 40 HKEB Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 3666239 JNSGQDXGOZIIKX-YACCPEJUSA-N 415.474 5.712 30 40 HKEB CC(C)(C)c1ccc(-c2nc(SCc3ccc(F)cc3)c(C#N)c3c2CCC3)cc1 4051676 JNZVERGFEIFTQA-UHFFFAOYSA-N 416.565 6.838 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 4181658 VOPFGQSZFQTNNB-WVCIYJCBSA-N 409.489 6.480 30 40 HKEB Cc1cc(O)c(C(C)C)cc1N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 6023534 LSCJMYWYCYIMRU-UHFFFAOYSA-N 408.523 5.072 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(F)cc1 13552826 ZJSYEMLDQGNCQD-STZFKDTASA-N 417.436 5.148 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC(Nc2ccc(I)cc2)=C1Cl 14007963 YLDNKKBSXRJEBF-ZDUSSCGKSA-N 423.681 5.300 30 40 HKEB Cc1ccc(-c2nc(CC#N)sc2NC(=O)c2ccc(Br)cc2)cc1 26779604 ZDZDPJVHUOHNEN-UHFFFAOYSA-N 412.312 5.199 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(C)c1 33301487 HDTKCDXDKGMMLN-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccc(C(=O)O)cc1 68734907 WGZOVOKXNKSZTR-QLIPUSLZSA-N 422.437 5.018 30 40 HKEB O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 100009164 SUFXPLAQCJQRNI-KEBDBYFISA-N 412.323 5.001 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 100511691 UDZNFWZWHHHCBG-CUHSDLGESA-N 412.514 6.060 30 40 HKEB FC(F)(F)c1ccc(/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 100610560 ZLAPFEJQQLVJAI-AFUMVMLFSA-N 417.456 5.416 30 40 HKEB CCCCCCCCCCCCOC(=O)C1=C(C)N=C(O)N[C@H]1c1ccccc1 100926869 GTSLMWBCDUKAHO-QFIPXVFZSA-N 400.563 5.983 30 40 HKEB CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1c1ccccc1 104326531 UZBGGYVAISRTBD-UHFFFAOYSA-N 412.706 8.945 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 225768545 WZOLLPRMEOAMEO-UHFFFAOYSA-N 406.526 5.586 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1cccc(Br)c1 408645737 ANXYJCCORDPXJA-YDZHTSKRSA-N 422.330 5.189 30 40 HKEB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3C#N)sc2c1 408750336 LQBXASIYALGFIB-UHFFFAOYSA-N 415.543 6.021 30 40 HKEB C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 408913101 SMGIJPYGCIBRCV-XYGWBWBKSA-N 417.465 5.357 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 408913867 UPMVOOHCRFVJGS-LBMUFILHSA-N 402.519 5.861 30 40 HKEB CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1 408962282 XZAHPWWFPSTHJA-OUUDUQSLSA-N 421.566 5.309 30 40 HKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3c(Cl)cc(Cl)cc3Cl)c2C)c(C)c1 408993408 DPSWYFKHLLCGOL-VROXFSQNSA-N 421.759 6.512 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1F 409114232 DUVIZVUCTOKLAF-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB O=C(O)c1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 409215957 CMAXRSDZXPKGCU-VEILYXNESA-N 423.468 6.507 30 40 HKEB C=CCn1c(SCc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 3430440 ZUUZCTBFCNPNHH-UHFFFAOYSA-N 418.587 6.220 30 40 HKEB N#Cc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O 4525898 QPBXJDLKXQSIGI-UHFFFAOYSA-N 415.448 5.753 30 40 HKEB Cc1cccc2cc3c(nc12)S/C(=N/c1ccc(F)cc1)N(Cc1ccccc1)C3 4861350 WUNOBMXARJHPGB-IMVLJIQESA-N 413.521 6.478 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 5092542 AJDWCAPTDNGUFZ-BQHJCBTJSA-N 415.562 5.701 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1 5543142 XJVYZHAVCKWULX-PKNBQFBNSA-N 402.877 7.373 30 40 HKEB C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(F)cc1 15082744 FEHWPMKKWDTRIP-INIZCTEOSA-N 423.465 5.291 30 40 HKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)S2)c1 59426828 RNGKHWBQQIQKDW-VIZOYTHASA-N 411.741 6.155 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc2ccccc12 59461923 XUAQPJGEWJUTGM-NOZRDPDXSA-N 405.497 5.882 30 40 HKEB CCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 59484300 DAMBNPXDZICPEQ-YZSQISJMSA-N 413.546 6.630 30 40 HKEB COc1ccc(N2C(=O)CS/C2=N\N=C/C=C(\Cl)c2ccc(Cl)cc2)cc1 100344890 CPQBHZMKLOKYLX-FPRYSBRVSA-N 420.321 5.050 30 40 HKEB COc1ccccc1C/N=C\c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 100748496 FJEBXNXDAVZISJ-QFEZKATASA-N 420.465 5.119 30 40 HKEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613856 PWTRUWPHMZOEFG-UHFFFAOYSA-N 414.354 5.507 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670966 XPKFLTXTUKWCIA-MOPGFXCFSA-N 409.599 5.535 30 40 HKEB C=CCN(CC=C)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735527 QXYGKAZFGWKWLH-UHFFFAOYSA-N 418.500 6.295 30 40 HKEB CC(C)Oc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 408806706 BHZYCZWLOQSXGP-QQXSKIMKSA-N 424.610 6.227 30 40 HKEB COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O 408939943 NHHPBRSEIRFQFY-GPDYHGRBSA-N 410.517 6.286 30 40 HKEB C#CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 409030621 GSIJQELAWVQTDP-LICLKQGHSA-N 421.422 5.115 30 40 HKEB Cc1ccc(-c2cc(/N=C/C3=C=C=CC=C3C(F)(F)F)n(-c3ccccc3)n2)cc1 409054136 RTXNUXGSHQVOOA-LQKURTRISA-N 403.407 6.289 30 40 HKEB O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409209201 HQNIXWMWUYRUBT-YDZHTSKRSA-N 410.267 5.477 30 40 HKEB CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1O 720604 UMLMOYOEEJHVCW-HSZRJFAPSA-N 414.505 5.540 30 40 HKEB CC[C@H](C)C(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 2345441 LLQCGCIAGCJYGK-QMMMGPOBSA-N 410.280 5.101 30 40 HKEB COc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1OC 2356521 HMEFMNNBIJCPNQ-DEOSSOPVSA-N 401.487 5.570 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 5130518 PZDSSPGPLGSREM-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB N#Cc1c(S[C@@H](C(=O)O)c2ccccc2)nc(-c2cccs2)c2c1CCCC2 6258010 XSPHEOPNDQFHPT-HXUWFJFHSA-N 406.532 5.479 30 40 HKEB CCCCCCCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(N)=O 8432419 UFDIDXHVOXZIPG-UHFFFAOYSA-N 410.580 5.192 30 40 HKEB Clc1cccc(Cl)c1CN/N=C/c1ccc(-c2ccc(Br)cc2)o1 9195520 MPOWDWCDRIKXDZ-LSHDLFTRSA-N 424.125 6.140 30 40 HKEB FC(F)(F)c1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2)n1 13563096 YTXLHYAZGQRHKF-FOKLQQMPSA-N 421.220 5.371 30 40 HKEB Clc1ccc(CO/N=C(\CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1 20218512 ABKMXINBGZUFEM-IMVLJIQESA-N 419.956 5.083 30 40 HKEB CCc1ccc(N/C(O)=N/c2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 28048650 IJZYJZFDPIGYIR-UHFFFAOYSA-N 405.498 5.758 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3cccc(Cl)c3Cl)c2C#N)C1 58160230 ZXBYEHWIZAQGLJ-LBPRGKRZSA-N 422.381 5.122 30 40 HKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCCCCCCCCC 96021513 FAJNGBUSJYEWEJ-UHFFFAOYSA-N 416.613 7.339 30 40 HKEB Clc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 102238047 DKGXEJYDLIGWAK-CVKSISIWSA-N 415.880 5.715 30 40 HKEB CCCCCCCC[C@@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373982 OPESDBSJPSZDIT-YECVLQETSA-N 414.630 6.004 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 214338546 VOTZTEOQKAPNDD-RGVLZGJSSA-N 404.422 5.194 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757489 CHFZNIKXXOBSBE-UHFFFAOYSA-N 421.497 5.486 30 40 HKEB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497823 ISQVBKWANUTMNE-KTDCGVAWSA-N 408.582 5.661 30 40 HKEB biogenic CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)ccc1OC 408749596 RBACYSYOFPDXKY-RQZCQDPDSA-N 423.321 5.292 30 40 HKEB Cc1c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cccc1C(=O)O 408771655 HXMSENLKPDHAIS-FSJBWODESA-N 411.299 5.614 30 40 HKEB CCCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408959667 CVGFVNSBEJYCEH-OZJHTRJKSA-N 419.594 6.081 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br 409213013 NWPVKHFTHAWPHI-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C 409213938 UNXRBNRKCNRNKP-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409215197 YJQKCGQGVQFZAA-BUVRLJJBSA-N 406.438 5.332 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Br)s1 409281513 MQPANKPFLREACJ-UHFFFAOYSA-N 416.344 5.150 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 1946580 WTXYKFHWNUCMOT-YSURURNPSA-N 417.679 6.911 30 40 HKEB C=CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc12 2108115 WRLLKBICMXIBQB-UHFFFAOYSA-N 423.354 5.878 30 40 HKEB COc1cc(C)c(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 4746648 PCZIUHKUWWIFEY-YDZHTSKRSA-N 401.919 5.625 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccc(O)c(C)c3O)n2)cc1 5003352 TVOZAFYHSMULEA-CVKSISIWSA-N 410.477 5.285 30 40 HKEB COc1cc(/C=N/N2[C@@H](C)CCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1Cl 5505645 KDPIFJWFWIGHDV-KVBMINBWSA-N 421.368 6.178 30 40 HKEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C(C)C)cc1 6001469 OPDXHSONWSCNQI-GOSISDBHSA-N 423.582 5.206 30 40 HKEB Cc1cccc(C(=O)Oc2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)cc2)c1 6442146 JQCDXIUBDVDRRX-RCCKNPSSSA-N 414.486 5.106 30 40 HKEB CCCCCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 8425688 MVMFBIGRJNLPMA-UHFFFAOYSA-N 422.639 5.236 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccccc1Cl 8821137 RFFPIERPAFVZLX-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1Oc1ccc2ccccc2c1 8857344 CBJZHZGZKYNBQM-UHFFFAOYSA-N 424.809 7.238 30 40 HKEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3Br)N=C2O)ccc1O 17196632 OXUHOWKHECDFBS-YBEGLDIGSA-N 419.300 5.285 30 40 HKEB C=CCN(C(=O)c1csc(-c2ccsc2)n1)c1nc(-c2ccccc2)cs1 23200015 QIKAHIKGLWMUET-UHFFFAOYSA-N 409.561 5.828 30 40 HKEB C=CCCCCCC[C@](C)(C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21 95611359 JVIRYACVCJOJOT-AREMUKBSSA-N 421.537 5.559 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2CCc2ccccc2)cc1 408915451 YPDAKICGKHQPDR-ACWMPWAISA-N 416.521 5.981 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409192868 GMUXCQHQTVQRKM-KGENOOAVSA-N 419.889 5.746 30 40 HKEB CCCCCCCCCCCCCCCCn1ccc2oc(=O)cc(C)c2c1=O 1547212346 LWLNTRCTIPKBNP-UHFFFAOYSA-N 401.591 6.744 30 40 HKEB biogenic Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 1227800 FYSVTOIULMTRSN-VXNXHJTFSA-N 421.525 5.341 30 40 HKEB CCCCCCCCOc1cccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)c1 2270068 INAGPIQXROLGHJ-WPWMEQJKSA-N 416.525 5.499 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)SC1=S 2966151 JEZPCYIXQFGSSK-JCMHNJIXSA-N 417.555 5.806 30 40 HKEB C=CCOC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 3009911 FTVBLQJBVAOBKO-BWAHOGKJSA-N 407.469 5.493 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)sc2c1 3066562 LULMWTZQCHPPLA-BRJLIKDPSA-N 406.938 6.998 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 4682570 FEIBIQBOSUZGFB-YDZHTSKRSA-N 407.882 5.615 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])c(C)c3)c2C)cc1 4738832 GTHGFWWPHGTAJP-ZVHZXABRSA-N 405.454 5.238 30 40 HKEB CCOc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccc(C)cc2)cc1 4825243 VXBQALKUMIWUSV-KQWNVCNZSA-N 415.514 5.871 30 40 HKEB O=C(/C=C/c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 5515461 NWEYUEMMPMPAMC-ZHACJKMWSA-N 403.787 6.442 30 40 HKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccccc1 6571402 UNSOWZVEABEBJT-MTDXEUNCSA-N 418.500 5.353 30 40 HKEB C(=C\c1ccc2c(c1)OCO2)\C=N\c1ccc2oc(-c3cccc4ccccc34)nc2c1 8448789 CDRVNFMUYQNZHE-SPKXURJASA-N 418.452 6.792 30 40 HKEB N#Cc1ccc(CSc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 9218102 BREOFFPSDAOENY-UHFFFAOYSA-N 411.530 5.304 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2ccccc21 9421889 GTVQLIVEESQVPR-ZVHZXABRSA-N 409.441 5.497 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(Cl)cc2Cl)c2ccccc21 18249520 VVMOFZQENBHUEY-QFIPXVFZSA-N 410.325 6.860 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c2ccccc21 28182857 FPBPGGZZOOJIHH-IWIPYMOSSA-N 416.521 5.359 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114885 DNCFWMYGTOUUJJ-YCPBAFNGSA-N 419.214 6.536 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)n2cc(C#N)c3ccccc32)o1 226362442 MGRONYKWBOBLTP-DHZHZOJOSA-N 413.389 5.043 30 40 HKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408860218 YWXJBHSJJBSVAO-VULFUBBASA-N 402.881 6.350 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408942362 QMCRBOUAITYHKE-RUGMJDSKSA-N 422.572 7.361 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1OC 409087863 IEOJQGQXYABTQA-SQAVSUBZSA-N 412.555 5.547 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 409208698 CFLIHGBGOVKSQS-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409382933 YJJGOBUVVZDMJK-DHRITJCHSA-N 412.848 5.256 30 40 HKEB Cc1cccc(C)c1/N=C1/NC(=S)N(c2ccc(C(=O)O)cc2)C12CCCCC2 2181983 CWPRRUGGKMFAKC-UHFFFAOYSA-N 407.539 5.129 30 40 HKEB CC[C@@H](C)Oc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O 4526069 LCMFHQBGNUPBCX-MDANPUHLSA-N 410.539 5.114 30 40 HKEB Cc1cccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc12 4849038 YKIDUYVZWOWKRV-UHFFFAOYSA-N 409.514 5.872 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)C1 6262650 ZDOLZGLGEBDXGD-BMGDILEWSA-N 412.986 6.166 30 40 HKEB CCCc1cc(N2CCC(Cc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 6311381 XLLGFHXFCSZYCF-UHFFFAOYSA-N 408.549 5.771 30 40 HKEB O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 9192213 VCIACUDLHJIXJX-WSHPORRNSA-N 420.823 5.714 30 40 HKEB Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)n2c(nc3ccccc32)c1C#N 13137214 BRJRJDOWNNEVRU-UHFFFAOYSA-N 420.925 5.360 30 40 HKEB N#Cc1ccc(CN(Cn2c(-c3ccccc3)nsc2=S)CC(F)(F)F)cc1 58162814 ZZEJDENXOCRWHA-UHFFFAOYSA-N 420.485 5.235 30 40 HKEB CC(C)=NNc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 72229766 YIKQWMSERPGRDU-UHFFFAOYSA-N 403.305 5.119 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100089863 AACVHOJFBPWOJG-HWBMXIPRSA-N 410.663 5.588 30 40 HKEB FC(F)(F)C(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 206810208 IKEULTDRFFGVIG-UPHRSURJSA-N 414.083 5.844 30 40 HKEB C=CCOc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225610515 ARVJOWSCDURHOH-UHFFFAOYSA-N 407.004 5.515 30 40 HKEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226327078 SJRUYSGJFFDHLD-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408850915 GIPMCZVJWNEQRQ-BRMQIIPVSA-N 420.578 6.268 30 40 HKEB O=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1CCc1ccccc1 408911214 ZGLZJRQHMNZYIU-GVPYCIPCSA-N 418.949 6.187 30 40 HKEB Cc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)c1 408917434 UIQNBKJPTOYDOO-BTRCZGFISA-N 402.519 6.009 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 408944722 UVKZDQQIGCVDRR-IASQXJLISA-N 420.556 7.137 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)S2)cc1 408968061 ZFYYIYDHBWDULC-RIYZIHGNSA-N 423.719 5.008 30 40 HKEB O=C1/C(=C\c2cc(Br)c(Sc3ccccc3)o2)Sc2ccccc21 408998598 RKEJAINEJRZYEG-GZTJUZNOSA-N 415.333 6.523 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br 409218388 UVRGLIUHFGWZND-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O 793455 DHYWJZNBFFQLEU-FSJBWODESA-N 423.266 5.722 30 40 HKEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 2219995 MPDFQVPBBJKTSU-UHFFFAOYSA-N 416.344 5.098 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 3113133 SJNQVQVIHRULNH-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2cccc3ccccc23)C1=O 4889175 DCQBXIAHENZUTI-ZNVYLOEZSA-N 407.564 5.536 30 40 HKEB CN(/N=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 5003340 CHINCEGUJIXWBS-KOEQRZSOSA-N 409.449 5.189 30 40 HKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 6338083 XNNGCXDGKXYVHP-YRNVUSSQSA-N 413.300 6.477 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(Cl)c1)n1c(nc3ccccc31)N2 7495961 HMECAYOOCWAWFP-IQMFZBJNSA-N 415.880 5.698 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(C)cc1 8811910 ZTMCMWDEWQGDKW-CVKSISIWSA-N 408.929 5.750 30 40 HKEB Clc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c(Cl)c1 9195510 LBOOUMKEHCUCFK-NUGSKGIGSA-N 414.119 6.684 30 40 HKEB O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1c1ccccc1 13913959 LFMNGFFDCCWSCO-NJMAKWBESA-N 406.894 5.854 30 40 HKEB O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 33347568 XCNPPMMIWPMXFF-KWPJTZOTSA-N 406.510 6.648 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1C 35646670 IEPPDFZBOGTEOS-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 97940029 ZWWFJNXPQZXJPO-LJQANCHMSA-N 410.558 5.429 30 40 HKEB CCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100879167 FPYRGCROSOOTIF-QCCZVWFUSA-N 421.581 6.900 30 40 HKEB CO[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@@H]21 118928711 NNHCLKKAJULNME-GVAMXFROSA-N 414.674 7.222 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 408532412 OGTCMOBDPSHJMA-ZDLGFXPLSA-N 420.317 5.795 30 40 HKEB C=CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br 408742203 NYFJKLQDLPXUNK-XNTDXEJSSA-N 417.686 5.649 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1C 408862209 GGLJDLOGGRDQFK-PXSHAUCYSA-N 420.578 6.186 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408867016 HWJXKRGNAUCLKD-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 408946117 XZFWWHQJLBCCQN-FTQNGOQNSA-N 422.572 7.361 30 40 HKEB Cc1c(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1Cl 409102292 RNCUUXJZQRKVCB-DHRITJCHSA-N 419.872 5.401 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409207956 DHPPRPGEPWVTNV-PCLIKHOPSA-N 423.534 5.529 30 40 HKEB CC1(C)OB(c2ccccc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1(C)C 575330346 CFLWNDUKSFTVQW-UHFFFAOYSA-N 416.170 5.690 30 40 HKEB C=C(C)COc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)ccc1OC 997608 IOCUKRQLCHNMAR-IUXPMGMMSA-N 418.276 5.301 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nc2sc(C)c(-c3ccccc3)c2c1=O 2679204 DNKLPBDFYWOBDO-UHFFFAOYSA-N 422.550 6.051 30 40 HKEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 4628588 TUPWXDDHBMZTCX-OXQOHEQNSA-N 410.583 5.957 30 40 HKEB O=C(/C=C(C(=C/C(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1 5092939 ROYPBZQYHFGGFP-GPAWKIAZSA-N 414.504 6.919 30 40 HKEB C=CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 5830910 CMHBZGOQRKGLKY-FQEVSTJZSA-N 413.543 5.061 30 40 HKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)c1 8844538 JOCMXMFBSCFAQL-UHFFFAOYSA-N 403.413 5.445 30 40 HKEB N#Cc1c(Cl)cccc1Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 8873095 ULGIPTXZSCXAEE-UHFFFAOYSA-N 423.221 6.662 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2sc(-c3ccccc3)cc2c1=O 16778826 QQIJFUZNRAMMLC-UHFFFAOYSA-N 424.978 6.257 30 40 HKEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(C)C 21722417 HTXPEESSDKOBDQ-DEOSSOPVSA-N 418.537 5.494 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 28217534 IGSCLRZRRZTQAR-FSJBWODESA-N 417.365 5.721 30 40 HKEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1Cl 32908845 JOHYNCDZVNJTCS-UHFFFAOYSA-N 422.916 5.431 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463739 AERCSIPOXUAZJV-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB C/N=C1/S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C(=O)N1C 101527978 PJEZHUQDSJPTLA-ASAQIREPSA-N 402.519 5.259 30 40 HKEB COc1ccc(OC)c(/N=C/c2ccc(/C=N/c3cc(OC)ccc3OC)cc2)c1 104192168 UFWBWAPCZZHREP-RYQLWAFASA-N 404.466 5.222 30 40 HKEB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 110451150 RBXSOFPNKKGBLF-LSHDLFTRSA-N 420.303 5.228 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916218 ISQVBKWANUTMNE-GQWUNDNVSA-N 408.582 5.661 30 40 HKEB C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 263592868 APTGJECXMIKIET-OPLSODKJSA-N 410.598 6.014 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1Cl 408810439 IXPYTBNJBJFDJB-MYKKPKGFSA-N 401.293 6.158 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1O 408915881 RJMFUSCYYSLXAC-GRUKXCDCSA-N 410.539 5.359 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=S 409023578 HKFSWHINWPCHIQ-UVTDQMKNSA-N 410.010 5.940 30 40 HKEB Cc1ccccc1/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 409215565 BHDPSSDPMPLSPN-NDZAJKAJSA-N 401.509 7.631 30 40 HKEB C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(F)cc1 409344526 JPGMCORQKATDHV-UHFFFAOYSA-N 419.525 5.936 30 40 HKEB CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1OC 409377950 KYHICGJKCWNFQN-AFUMVMLFSA-N 402.406 5.829 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[C@H](C)C2 873336 CSIIRWICTOESQE-JYQBEENSSA-N 422.344 5.268 30 40 HKEB C=C(C)Cn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2270611 SKCJEPVLMAHESR-MRXNPFEDSA-N 418.672 6.323 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc3c4c(cccc24)CC3)cc1)c1ccc(Cl)cc1 3075012 UEUUFLKVWRQUCV-LQKURTRISA-N 411.888 6.562 30 40 HKEB Cc1cccc(NC(=S)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)c1C 3310158 SXDBNNPSDALAJT-VULFUBBASA-N 417.965 6.584 30 40 HKEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 6233850 NQLFPHJWOHXNOW-NRFANRHFSA-N 420.582 5.192 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)c(Cl)c1 8733538 LNSIQGGIIWBJIQ-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4)ccc3C1=O)cn2C 9422210 OGBMKVOAVLYCOE-BRJLIKDPSA-N 411.457 5.382 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2ccccc21 9423119 PZOKZUJVPRUEHW-YDZHTSKRSA-N 401.462 5.280 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C1CCN(Cc2ccccc2)CC1 9482316 YJZZIISRLUVTTJ-AREMUKBSSA-N 415.581 5.448 30 40 HKEB Cc1cc(Cl)ccc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 13027223 BSOQBMXXWLGTRG-UHFFFAOYSA-N 420.925 5.360 30 40 HKEB CCOc1ccc(/N=C/c2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)cc1 13895322 LEWDVCMVPNZOIM-OGLMXYFKSA-N 424.500 6.255 30 40 HKEB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)c2ccccc2)cs1 15187922 MUWODVBIFVKXET-ZHACJKMWSA-N 416.424 5.743 30 40 HKEB O=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 32100204 QCDMEYVYSGBGLN-MTKUKVTPSA-N 403.485 7.578 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C 36051225 FAODDNXUWZRRDC-HWUODZQRSA-N 402.732 8.326 30 40 HKEB CCCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 105294297 KLJNWYXHCKEMHP-LVXARBLLSA-N 420.597 6.657 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225670920 ICKRUUPECYXGKK-RTBURBONSA-N 409.599 5.535 30 40 HKEB CC(C)N1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccccc1 408907929 QKBZTFUDWCRXDR-CUNGHOPLSA-N 401.329 5.462 30 40 HKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(C)cc1 408914011 WZGGGVKCWKVJRP-UHFFFAOYSA-N 418.876 5.699 30 40 HKEB C#CCOc1c(CC=C)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OCC 408932759 DWDDRAJPFWLAFB-YSMPRRRNSA-N 402.416 5.291 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 408937777 OTLVXDXFNIVNHY-JZMDYQBVSA-N 408.501 6.301 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 409085222 NWUSZQHLNHFGJZ-JZNDDVEWSA-N 422.981 7.435 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)nc1 409105132 GOUWBGMTBVEJLQ-IPPBACCNSA-N 421.422 6.279 30 40 HKEB CCCCCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 2218303 SMCMOQIYNMPPDT-UHFFFAOYSA-N 403.570 7.277 30 40 HKEB CCCCCCCCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 2276950 QYROOJIPHFSSBK-UHFFFAOYSA-N 413.525 5.767 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(C)c1 2442745 MAICDDIPDATEKL-UHFFFAOYSA-N 406.555 5.294 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(C)c1 2453345 SMVGZSHFTFSLMB-SFHVURJKSA-N 420.582 5.684 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 4333265 VHBCOKOPCXDBTP-AREMUKBSSA-N 410.517 6.701 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 4863787 HCGSAZYJFUPVHN-XNTDXEJSSA-N 402.856 6.228 30 40 HKEB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 5376582 NVXATMMQJAXRGM-XDHOZWIPSA-N 410.882 5.500 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2o1 6472753 XGYKUUROSCQHIZ-UHFFFAOYSA-N 418.522 5.225 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 8811907 SYKAVEBYULOGTE-VULFUBBASA-N 412.892 5.581 30 40 HKEB O[C@H](Cc1ccccc1)/C(Cc1ccccc1)=N\Nc1ccc(Br)cc1 13402503 OQKJETUUXLFLIA-CKVBZJJFSA-N 409.327 5.063 30 40 HKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc(Br)cc1 58823334 CJPCGHAWRBCGEZ-OEAKJJBVSA-N 411.299 5.483 30 40 HKEB N#Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(Cl)c1 59484618 HCLRRSYPJRHYLU-UHFFFAOYSA-N 417.921 5.262 30 40 HKEB CN1c2ccccc2C(c2ccccc2)=C(C(=O)/C=C/c2cccc3ncccc23)[C@@H]1O 79106291 UAAWRNYBMHQAJK-XEKAQFCISA-N 418.496 5.087 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260568292 ODKHKQTZLWVGGD-SQUXRGDASA-N 419.594 6.033 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 408532363 ODFHBQHURFJVME-WQRHYEAKSA-N 420.317 5.795 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408782735 IYUPIQDKIPTJPW-FSJBWODESA-N 401.735 6.569 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409214420 XKDZRRIEMQBPKW-LPYMAVHISA-N 411.255 5.687 30 40 HKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1/N=C/c1ccco1 2369954 LCCZEFWPVINYOB-TWKHWXDSSA-N 419.528 7.543 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc([N+](=O)[O-])c4O)ccc3o2)cc1 3162660 YCKUZSPYIRSSNU-FSJBWODESA-N 403.394 5.176 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 4615610 PNMQXSJFYRIGPZ-BCDQWZCSSA-N 406.529 6.286 30 40 HKEB COc1cccc2cc(/C(C)=N/Nc3nc(-c4cc(C)ccc4C)cs3)c(=O)oc12 4957167 MEQGXJPJYRWPMQ-MFKUBSTISA-N 419.506 5.378 30 40 HKEB COc1cccc(N2C(S)=N/C(=N\c3ccccc3C)[C@]23CCOC(C)(C)C3)c1 6898383 ABZNJIHBBUSBML-HSZRJFAPSA-N 409.555 5.167 30 40 HKEB CCOc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2cccc(C)c2)cc1 7034488 LZNYKRTUUTZIKF-SFHVURJKSA-N 417.538 5.177 30 40 HKEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccc2ccccc12 8436610 BMBVWIHYGFQCCV-LDADJPATSA-N 409.308 5.494 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@H]2C=Cc3ccccc3N21 8781183 CLWXLWXIKDFAQX-UBFVSLLYSA-N 419.459 5.110 30 40 HKEB O=C(Oc1ccc(Cl)cc1C(=O)/C=C/c1cccs1)c1cccc([N+](=O)[O-])c1 9301460 MKYXUTZITFYGMG-BQYQJAHWSA-N 413.838 5.425 30 40 HKEB Fc1cccc(Cl)c1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 12467756 DBWDNJBUJUECQN-SCDVKCJHSA-N 401.681 5.215 30 40 HKEB CCC(CC)=Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(C)c(C)c1 12564049 BHGUQHKUHNPDJC-FCQUAONHSA-N 408.527 5.998 30 40 HKEB COc1cc(/C=N/Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 13914328 ASYWCFWCRGEJCM-AFUMVMLFSA-N 423.900 5.121 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1OC 16684176 FYZQDYFJYSRMLA-MFOYZWKCSA-N 423.321 5.292 30 40 HKEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17090496 JTIBMAFJWZTMKR-UHFFFAOYSA-N 416.289 5.252 30 40 HKEB CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1 18143327 IUEDIFOODUOALH-DCFHFQCYSA-N 409.533 5.732 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccccc1 19805323 IJDTVUSWFOOQPP-UHFFFAOYSA-N 411.317 5.673 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 51366846 WVKUJRXKEZACKK-MNWLEOAJSA-N 401.535 5.392 30 40 HKEB CCCCCCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1 84651978 MRUWPJXYRGJTQS-UHFFFAOYSA-N 409.682 8.298 30 40 HKEB Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 101514301 HDBCSHZOZPOVFH-DOGKOTLKSA-N 423.541 6.281 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 2092912 BXSFWGLPOQRRKM-LBPRGKRZSA-N 421.393 6.720 30 40 HKEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 2300551 KMYSTACCJFWPNY-PIPMEXSNSA-N 415.985 5.046 30 40 HKEB CCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)s1 3079257 CCSHBJGCGBBDFT-UHFFFAOYSA-N 412.595 6.491 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[n+]1ccccc1 4065023 SYUGLBZIXVZTRT-BJDRNOHOSA-N 422.589 5.500 30 40 HKEB biogenic COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 4116314 JFDHLSJSCLORCK-AMOXOZGRSA-N 412.489 5.071 30 40 HKEB CN1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 4555381 YHOCQKFJGXAPCC-ZMOGYAJESA-N 409.942 5.392 30 40 HKEB COc1cc(/C=C\C=C2/CC/C(=C\C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 6403669 GYYPECSETJYYJN-DTFHZBLDSA-N 404.462 5.057 30 40 HKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 10118738 WEFMXELXDCJIPG-VULFUBBASA-N 415.320 5.705 30 40 HKEB COc1ccc([C@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)cc1OC 13915621 PZBAOMYBAOJSBC-RUZDIDTESA-N 413.517 6.167 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 20650966 KXUNTJKUMDONHQ-NDENLUEZSA-N 420.336 5.937 30 40 HKEB CCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797217 JMPBWTXQGDUUMI-QHCPKHFHSA-N 405.498 5.102 30 40 HKEB Cc1ccc2cc(/C=N/Nc3nc(-c4ccccc4)c4cc(C)ccc4n3)c(=O)[nH]c2c1 46085281 KGKLYCRXLYKTBC-JFLMPSFJSA-N 419.488 5.201 30 40 HKEB O=[N+]([O-])c1ccc2c(/C=N/c3cccc(-c4nc5ccccc5o4)c3)c(O)ccc2c1 100502408 JNUYZMHHDDUGLE-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)c(OCC)c1 104373374 BKYGYHRCWWFYJD-HKOYGPOVSA-N 407.624 5.510 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670995 XPKFLTXTUKWCIA-RTBURBONSA-N 409.599 5.535 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226329220 VUZHUSUQKJZSQO-UHFFFAOYSA-N 411.679 5.033 30 40 HKEB CC(C)c1ccc(NC(=O)CSc2cccc(/N=C\c3cccnc3Cl)c2)cc1 227005078 XZSUEWWYGXLAHJ-WGARJPEWSA-N 423.969 6.340 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c1O 408924073 PWXLLAIPOTVWFR-BRNMAAFJSA-N 408.523 5.338 30 40 HKEB Cc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 409064842 FUDNAGRLAAZHBZ-YVNNLAQVSA-N 404.257 5.150 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409082675 TVVBHSZLAWVFSQ-UNOMPAQXSA-N 424.283 5.917 30 40 HKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3sccc3C)cc12 409297409 LAJCIORFJJAJSF-UHFFFAOYSA-N 415.474 5.070 30 40 HKEB C=CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)cc1 409334278 WOCODGYBCOEEHX-UHFFFAOYSA-N 415.946 5.306 30 40 HKEB CCCCCCCCCCCCCCCCCCC/C=C\C(F)(F)C(F)(F)F 575330422 KOWXTSCYBFDLEA-MRCUWXFGSA-N 412.571 9.782 30 40 HKEB CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@@H](C[C@H](C)SCC)C1 5026712 BQKRKHUYPYBPNE-JCABBVPTSA-N 410.668 6.114 30 40 HKEB CC1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)CC1 6272937 SQZVRZFFCKBCJU-UHFFFAOYSA-N 419.377 5.851 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21 8417798 RENZIANDFQRTCV-CAOOACKPSA-N 402.306 5.377 30 40 HKEB CCOC(=O)c1cc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)ccc1Cl 8811457 PVNIEBOVSMGKLK-DHRITJCHSA-N 417.292 5.554 30 40 HKEB Cc1c(OCc2ccc(F)cc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423052 NEVFHIIBVZIUSO-ZMOGYAJESA-N 413.448 5.821 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S[C@H]2c3ccccc3C(=O)N2Cc2ccccc21 12961152 VPCZYOUUMWWWNL-DNQIBQKISA-N 417.917 5.965 30 40 HKEB Oc1ccc2oc3c(c2c1/C=N/c1ccc(I)cc1)CCCC3 13774853 APFMUROVOQOQMI-SRZZPIQSSA-N 417.246 5.372 30 40 HKEB Oc1ccccc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 16449088 QKXCEVSSLMNVAZ-MWRNPHMMSA-N 404.294 5.647 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1C 16745747 BAJXYNPAUNXZHX-YWROOUKNSA-N 400.503 5.818 30 40 HKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CC)CCCC 95866650 PUYRISKXBBQECH-SDHOMARFSA-N 410.683 7.995 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 95889723 HPFVBGJFAYZEBE-YNHSGCSHSA-N 412.614 6.401 30 40 HKEB in-vitro CCCCCCCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n12 96021538 QQQHPLKMKLQOJU-UHFFFAOYSA-N 418.629 7.563 30 40 HKEB CCCCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 104053549 UPNARAPJXYOZGZ-DHIUTWEWSA-N 410.639 6.738 30 40 HKEB C=CCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408557420 NHJAICCKWHSUDW-SFHVURJKSA-N 424.747 5.446 30 40 HKEB Clc1ccccc1/C=N/c1c(-c2ccco2)nc2ccc(Br)cn12 408721162 LREFWAZQBGVBMT-UFFVCSGVSA-N 400.663 5.761 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1 408864021 WHWWRTWQOPAMLY-TUMRIQNHSA-N 420.578 6.186 30 40 HKEB Cc1ccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 409066168 KFEHKKGSEIUKII-KVSWJAHQSA-N 408.427 5.858 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC#N 409077517 FCNLHAGXTYFTAP-HEOQCTJZSA-N 407.539 5.432 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 409110775 YLQOATWLFVAHBL-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 409212524 QNSHLTPRBNHCJK-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(Cl)c(Cl)c1 3043336 IUQWQMPAFAJSNT-DEOSSOPVSA-N 422.355 7.456 30 40 HKEB CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 4150504 NYEHBPHARDZEES-ZMOGYAJESA-N 421.294 6.276 30 40 HKEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 4482590 OKQBYLRUISQAPF-UFFVCSGVSA-N 404.647 5.811 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccc(Cl)c(Cl)c1 6621395 HZOVEVDFAQYNJO-UHFFFAOYSA-N 409.320 6.149 30 40 HKEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(C)cc2)ccc1OCc1ccccc1 12436551 YGDLLUVDIIDTRL-JCMHNJIXSA-N 413.473 5.317 30 40 HKEB COc1ccc(-n2c(C)cc(C3=NN(C)/C(=N\Cc4ccccc4)SC3)c2C)cc1 12529397 FWMWMSHKJJSQLX-OCOZRVBESA-N 418.566 5.042 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3/CCc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 33420781 YOVIPNQJQNSFDB-RGEXLXHISA-N 401.487 6.267 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1 33735675 IQSPAHVOYXEXEY-OKYLLYMWSA-N 417.515 5.012 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)c(C#N)cc2c1 57775105 KCJNPAWKCQRLQE-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB CCCCCCCOc1ccc(-c2noc(-c3ccc(OCCCC)cc3)n2)cc1 98000410 MHJYRBGQUKBYDX-UHFFFAOYSA-N 408.542 6.932 30 40 HKEB CCCCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 102079642 HTTILCOCTYNYNB-UHFFFAOYSA-N 423.984 7.853 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OC)c1O 106681452 CPIWYXSZSAMJNP-WQRHYEAKSA-N 415.898 5.019 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F 225955405 LETVRVKILKYNKW-UHFFFAOYSA-N 423.862 6.374 30 40 HKEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(=O)CCC3CCCC3)CC[C@H]12 253537498 HPFVBGJFAYZEBE-KCKNQCKASA-N 412.614 6.401 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408912542 NPBVLJRXXWUWRG-MDIFQPDJSA-N 422.550 5.432 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 409215341 ZIFFULMTPXNUIF-RGVLZGJSSA-N 407.105 5.283 30 40 HKEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 888416 OKZJFJWOYCQNSO-UHFFFAOYSA-N 400.718 5.261 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1cccnc1 2377138 LKIZZRLAHAIMKS-UHFFFAOYSA-N 416.868 5.453 30 40 HKEB C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCCC1)/C(Cl)=C/c1ccccc1 4677745 ANTQNDYEADLRFC-GUHCFGCBSA-N 408.973 5.776 30 40 HKEB C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 4822572 LTKJZDQJFVWZBZ-HNNXBMFYSA-N 404.645 5.933 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 8920126 DGGLJOQTIYZSDK-YDZHTSKRSA-N 403.829 5.304 30 40 HKEB CCOc1ccccc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 35288910 FLFCRJHJFLJCON-UHFFFAOYSA-N 405.523 5.359 30 40 HKEB F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95671259 RGBFMLVTZCWFSL-OWOJBTEDSA-N 400.056 5.803 30 40 HKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1N/C=C1/Sc2ccccc2C1=O 100209447 MFARWWKLGSQGTF-XDHOZWIPSA-N 421.543 6.142 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408930122 SIFSUPVTINEGAR-WFXBMRRRSA-N 421.566 5.309 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 409201354 LTZMNETXHAOHGV-WSDLNYQXSA-N 410.739 6.349 30 40 HKEB CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br 409201984 PPBJPKCOYKVMNO-KEBDBYFISA-N 411.137 5.978 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409208888 ASFAUYQMRFAYPD-MFKUBSTISA-N 424.338 6.350 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC 409354704 AIHGXUUTWFRZKH-WOJGMQOQSA-N 415.898 5.327 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)sc2c1 2811136 ADBAVOOYNJZAIZ-FSJBWODESA-N 407.882 6.584 30 40 HKEB Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1c(O)cc(C)c(Cl)c1C 6846055 HVGPKTRWRYMZSU-BRJLIKDPSA-N 406.938 6.998 30 40 HKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)cc(C)c1O 16311753 FXTNFTHTDFBVJU-WYMPLXKRSA-N 420.310 6.065 30 40 HKEB CCOc1cc(/C=N\Nc2ccccc2C(=O)O)ccc1OCc1ccccc1C 31798703 LODYDLRRJBAVAT-MYYYXRDXSA-N 404.466 5.117 30 40 HKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2F)cc1 59105794 JBPQFIBPVKRRBW-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)n1 59530788 QLRXLZMTUSRULR-UHFFFAOYSA-N 402.216 5.390 30 40 HKEB CCCCCCCCCCCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O 100285973 SGGICNHGUVSELL-UHFFFAOYSA-N 421.625 7.917 30 40 HKEB CC[C@@H](C)CN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 103683063 ZKXIBAPBUKLSKR-QDQUXMGHSA-N 409.511 5.553 30 40 HKEB C#CCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 408555586 GLLIIPDQCRBBSH-UHFFFAOYSA-N 400.703 5.880 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1 408804020 BZWWPXSQZYGEKK-MXAYSNPKSA-N 413.304 5.439 30 40 HKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 408915870 REZQLECYNMSWMK-LBMUFILHSA-N 404.535 5.267 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O 408916197 VYBVREWTEAJAJZ-POHNCSCLSA-N 414.958 6.060 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(Cl)cc1 409121420 ZRYSCWKARNIGSP-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 409203470 XFZIMWVDXKTZRE-RGVLZGJSSA-N 411.137 5.923 30 40 HKEB O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 1087122 UVLLAOBCZUUPTK-FSJBWODESA-N 423.296 5.684 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 2183209 AOMVEUTYLSRYMZ-HNNXBMFYSA-N 410.608 5.876 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)sc2c1CCCC2 3084903 AUGQFXUYWRUOEB-BHGWPJFGSA-N 410.882 5.861 30 40 HKEB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c1C#N 4881198 PODVKTYHSKJLCY-UHFFFAOYSA-N 406.294 5.705 30 40 HKEB C=C(C)[C@@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O 5222872 BGZLDYWPLZVXDX-MZEUMTGBSA-N 408.494 5.496 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1OC 5376552 BCYDVDLUYPUBMZ-BKUYFWCQSA-N 404.491 5.139 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 5582821 ZDWWQQXXGWLFMH-OJRHLSPFSA-N 401.550 5.577 30 40 HKEB N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 6581474 LDHVYBOKPQUMBI-UHFFFAOYSA-N 406.898 5.404 30 40 HKEB C=CC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C(\C)c1cccc2ccccc12 6866056 AFNJIRCNELYRMQ-CAMSKJFVSA-N 411.574 6.346 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 8214394 OKMWKBLSFKFYGZ-XMMPIXPASA-N 414.671 6.705 30 40 HKEB endogenous,in-man C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(Cl)cc1 9244572 NKUCXWSTQUYWSQ-UHFFFAOYSA-N 423.925 5.492 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2ccccc21 9422133 UVSLAGFVPUQWRN-DHRITJCHSA-N 413.448 5.996 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21 9422156 NEKUHJFLOHGJHK-FSJBWODESA-N 413.404 5.153 30 40 HKEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1cccc(Cl)c1C 12275845 HFSZMTNKIYFXMH-PLRJNAJWSA-N 423.929 5.271 30 40 HKEB O=C1/C(=C/c2ccccc2OC(F)F)CCCC/C1=C\c1ccccc1OC(F)F 13303136 IRXPXLQZVVUOLW-HBKJEHTGSA-N 420.402 6.500 30 40 HKEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 17090495 IJXLRLVYYQSFFO-UHFFFAOYSA-N 416.289 5.252 30 40 HKEB CCN(CC)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 31854539 SXDGQZOJROPOFE-FMCGGJTJSA-N 419.381 6.409 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 51367009 LOLKGDPOQFSHNT-MUESUYGVSA-N 417.937 5.503 30 40 HKEB CCc1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1 58176615 PQZKNXIRCQQJJN-JOCHJYFZSA-N 421.591 5.050 30 40 HKEB CCCCC(NCCc1c(C)[nH]c2ccc(OC)cc12)=C1C(=O)CC(C)(C)CC1=O 100140285 WEMOHQLVXDVZDY-UHFFFAOYSA-N 410.558 5.020 30 40 HKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)Cc1coc2cc3c(cc12)CCC3 103018488 NEMIYKSVLMBKHI-LCUIJRPUSA-N 418.562 5.374 30 40 HKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224970811 XFIJLBWXRGFSOL-UHFFFAOYSA-N 421.946 5.051 30 40 HKEB CCn1c(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)nc2ccccc21 408692879 XMTFSNCQFFOYGR-MTDXEUNCSA-N 420.516 6.234 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C(C)C)cc1 408916430 XKEAQJRQSCZFJK-HPGAWOKTSA-N 405.350 6.314 30 40 HKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl 408944992 VQSHSSNFAJLHFF-JDTUQCDQSA-N 400.909 6.623 30 40 HKEB CCCCCCCCNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408995514 ARLLQAVMXRDGBA-UHFFFAOYSA-N 424.570 5.201 30 40 HKEB Clc1ccc(Sc2ccc(/C=N\c3ccccc3Br)cc2)cc1 409065628 JUJDYDPTKWHNFE-XKZIYDEJSA-N 402.744 7.004 30 40 HKEB CCCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330171 GBZPBWURIOHFMD-KHPPLWFESA-N 422.322 7.787 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 1087119 CVSICFDKBAGPAV-VXNXHJTFSA-N 421.525 5.341 30 40 HKEB COc1ccc(-c2oc(NC(=O)C(F)(F)F)c(C#N)c2-c2ccc(OC)cc2)cc1 1436311 JYMOACSFGZCDHZ-UHFFFAOYSA-N 416.355 5.003 30 40 HKEB CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1 2055829 ROTLXVRFFHULKP-UHFFFAOYSA-N 406.526 5.414 30 40 HKEB Clc1cccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1 3114631 ZVBCJOVFJQDJOR-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1 4150998 JLXYVCYEFVJUGG-MUAVYFROSA-N 422.572 7.098 30 40 HKEB CS/C(=N\c1ccccc1)c1c(-c2ccccc2)c(C)n2c3ccccc3n(C)c12 16739580 LPNMMWKHYGMKJH-RFBIWTDZSA-N 409.558 6.848 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OC 101509294 KASCGXRAVPMECK-AIQBXGKYSA-N 424.566 5.888 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915022 YRJDKDJYIUMOKX-QFGZGYAZSA-N 420.593 5.354 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(Br)c2)C(=O)N1C 213158077 SBIKCUZOCBEQDV-CUNGHOPLSA-N 401.329 5.245 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 245241745 OCCYLBDLKHPVGI-GMVHITBYSA-N 413.001 6.306 30 40 HKEB biogenic COc1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1Cl 408544767 XEJTXTNBLUUFQW-BHGWPJFGSA-N 408.841 5.393 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Br 408787138 SEHOIUQACBHVQB-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cccc1OC 408910325 GVTRPTGZQGQXEY-IHPQQEBXSA-N 424.566 5.805 30 40 HKEB Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)o1 409078581 ISKCJGIVZKDJFA-QVMKDISWSA-N 420.578 6.803 30 40 HKEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccc(Cl)cc1 934564 FWJJVMZTMMFOAV-UHFFFAOYSA-N 418.678 5.153 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 1834355 HCTWLWWFRJBSPC-UHFFFAOYSA-N 412.624 6.306 30 40 HKEB Oc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc5ccccc5n4)s3)s2)cc1 2267302 MJMJOTBCKIXWSJ-MFKUBSTISA-N 412.539 7.148 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 2740362 WOPVJHMGHXVLBN-NYUWMOHMSA-N 423.538 5.721 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)nc2c1 3169625 VIIVRVVUHAIQRJ-AUEPDCJTSA-N 423.812 5.527 30 40 HKEB C[C@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C)c1ccccc1 4107853 WJXQYNIVOZGAFY-PACJPSSQSA-N 415.971 5.373 30 40 HKEB CCCN(CCC)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116442 VMANASJNJCMQIT-NSFRLNINSA-N 404.554 5.020 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 4481078 YYPQZNBTXYDEOA-KOEQRZSOSA-N 413.433 6.036 30 40 HKEB COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944855 IQDPRDANKAMJJY-FQEVSTJZSA-N 419.521 5.176 30 40 HKEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 5504727 NTTSKKZSZLFMGD-YDZHTSKRSA-N 411.845 5.282 30 40 HKEB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1C#N 6554287 ZFNREFWBJYPXAK-DEOSSOPVSA-N 415.518 5.233 30 40 HKEB N#Cc1c(OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCc1ccccc1-2 8450698 VTMHCQTZBRMVNV-UHFFFAOYSA-N 422.915 6.618 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl 9329517 GCQYWXBPDCIERQ-NRFANRHFSA-N 421.855 5.570 30 40 HKEB C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccccc1)c1ccc(F)cc1 16804926 RIGRDZSRENQBOI-IVBPLKSUSA-N 401.510 5.729 30 40 HKEB CSc1nc(Nc2ccc(N3CCC(C)CC3)cc2)c(C#N)c(-c2ccccc2)n1 19820460 XBFUOWSEQBVMOI-UHFFFAOYSA-N 415.566 5.717 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)c1 33027086 VGUICAKNKTXMPK-UHFFFAOYSA-N 400.438 5.009 30 40 HKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 46085396 JANGGJOQBMWVOO-MFKUBSTISA-N 401.901 5.462 30 40 HKEB O=c1oc2ccccc2c(N2CCCC2)c1N/C(O)=N/c1ccccc1C(F)(F)F 57630883 NWUNKADPVCWBAZ-UHFFFAOYSA-N 417.387 5.070 30 40 HKEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(Cl)cc2Cl)C1=O 59461620 VTURGEKPZQXWHJ-VXLYETTFSA-N 416.304 5.487 30 40 HKEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)o2)cc1 96346425 RDSYTMZASBRSOH-JOCHJYFZSA-N 402.542 5.534 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O 98043410 RYUVEEZMMFRGGS-NRFANRHFSA-N 415.684 6.570 30 40 HKEB CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O 100051582 FBIXXCXCZOZFCO-FQEVSTJZSA-N 406.655 5.982 30 40 HKEB CCCCCCCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 100668349 PVPQRPXZKLCJGO-AREMUKBSSA-N 407.598 6.488 30 40 HKEB C/N=c1/scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(SC)cc1 103371620 WUNXRQBQKJOXAR-TZBYAMTHSA-N 408.379 5.658 30 40 HKEB CCCCCCCCCC(=O)c1cc(O)c(C(=O)CCCCCCCCC)cc1O 104246293 NBVZGLPJYSGFAG-UHFFFAOYSA-N 418.618 7.745 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340721 WXAXNXOIPMCWDV-CMDGGOBGSA-N 407.691 5.424 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Br)cc1 408588203 IHPPMQMMMKBLOI-WSDLNYQXSA-N 408.303 5.179 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 408589057 CTVPPGZBVLBLSJ-AFUMVMLFSA-N 424.428 5.262 30 40 HKEB O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408721694 LDRMOOJEEWBHCL-WOJGMQOQSA-N 424.865 5.190 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408868734 BAPKPYICNJAOQQ-GJJAMFMGSA-N 406.551 5.878 30 40 HKEB CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408949783 CEPWIABFMRTXIT-ZHZULCJRSA-N 422.941 5.088 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409203695 XGUVTNUXXVJXCU-LFVJCYFKSA-N 408.295 6.557 30 40 HKEB COC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409211470 JKGDLYUEFQVMBZ-WJNWYLSZSA-N 410.539 5.073 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 409352592 ZZRSBXVIHBXBQQ-LDADJPATSA-N 415.898 5.327 30 40 HKEB C[C@@H]1CC(=O)C2=C(O1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(Cl)cc1Cl 1071942 PXJUOYIUUPMWMQ-WSVYEEACSA-N 411.288 5.797 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 2055210 VVMLVCUTJOXYDN-HSZRJFAPSA-N 411.542 5.175 30 40 HKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 4905160 MIPISNOMXVNPMV-GOSISDBHSA-N 404.293 5.372 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 8993305 AJFIAFHOGHFJIY-UHFFFAOYSA-N 419.299 6.869 30 40 HKEB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9477065 IATBFUYNSORBPE-BTYIYWSLSA-N 406.869 5.300 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc(Cl)cc1 13770180 WBOVVJSQGQXPGP-UHFFFAOYSA-N 406.720 5.232 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)c1 33027077 FJZJSJFCVVEZAE-GOSISDBHSA-N 413.477 6.175 30 40 HKEB CC/N=C1\S/C(=C\c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C(=O)N1CC 59104395 VOGFYIBAAPAIQZ-YCTUGHIMSA-N 410.967 5.228 30 40 HKEB Clc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 59248065 BBQAYDOOTPFAFA-RDRPBHBLSA-N 414.980 7.349 30 40 HKEB CCCCCCCCCCN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21 77286507 IJILTKKYTDZGGB-UHFFFAOYSA-N 423.597 6.371 30 40 HKEB in-vitro C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219839090 VYNPTADQSWESLN-UHFFFAOYSA-N 420.896 5.087 30 40 HKEB Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)c(C)c1 408960087 JGQCESLXNTYOCV-JXJWTFEASA-N 419.594 5.754 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 409084060 PAHZBDLNORNUNF-MOSHPQCFSA-N 407.828 5.403 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 409208708 CJQPSNKNTRFNPY-YZSQISJMSA-N 418.493 5.252 30 40 HKEB Clc1ccc(CO/N=C/c2cccnc2Sc2ccccc2Cl)c(Cl)c1 3105188 SKFZLOJSGQYWSD-BHGWPJFGSA-N 423.752 6.744 30 40 HKEB O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cccc(Cl)c1 4181475 YTFAINGKNSZQCP-BHGWPJFGSA-N 419.695 6.355 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)c2C#N)C1 6881137 IZXIKLGGOCHOTF-CQSZACIVSA-N 402.523 5.060 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 8362988 KQRPVZNEYPRTSA-QMSJJHEMSA-N 408.567 6.059 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 9370536 ONSPHDFJOAUURK-FQEVSTJZSA-N 424.283 5.776 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 12561725 DLCKKXMUAYZIOW-OAQYLSRUSA-N 424.331 6.052 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@H](C)C4)o3)o2)cc1C 33027136 MIUPWXZLPCAYPZ-HOTGVXAUSA-N 405.498 5.484 30 40 HKEB CCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782832 FBMXLHMQUBYVTL-CMJZJTAVSA-N 418.581 5.718 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2Cl)cc1 95101288 YTLXPZNDBUFFCR-OAQYLSRUSA-N 419.864 5.137 30 40 HKEB CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)cc1 97961259 GTPJWQZJAGFLRR-UHFFFAOYSA-N 424.673 8.566 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C[C@@H]2OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100744664 CLHQHYNIOKAGEX-GIUXALEOSA-N 420.658 5.052 30 40 HKEB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1 102193305 MUWMTTCKIJXEDC-PGLGOXFNSA-N 419.287 5.538 30 40 HKEB Cc1ccc2nc(Nc3cccc(Cl)c3)c(/C=N/c3cccc(Cl)c3)c(=O)n2c1 102937877 MVVYEOUUAPGYDY-BRJLIKDPSA-N 423.303 5.804 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@@H]1CCCO1 104260105 MQOCPPQDMPIRFU-RPBOFIJWSA-N 410.683 8.139 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)c(OC)c1 104373391 PUPWVGAWSKUAEC-MOHJPFBDSA-N 407.624 5.423 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1ccc(Cl)cc1 223669386 IPTCIARLHCWWGN-UHFFFAOYSA-N 416.937 5.620 30 40 HKEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408593658 QUPJHCGOKWLIME-ZVHZXABRSA-N 406.438 5.042 30 40 HKEB COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1Cl 408738162 RDPARFKKCBQIGC-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 408817595 XYWDWTMRNUTMTE-IWIPYMOSSA-N 423.541 5.890 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1OCC 408909837 ILTJRBZNGRUYEI-LPCFMYKTSA-N 424.566 5.725 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2C(C)C)cc1 408916066 UKNKQZCXHPEXPO-FTIPTLOASA-N 415.356 5.770 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408960081 JDRSUNORWCZVMI-FWSLEZFUSA-N 405.567 5.691 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409091047 SLUQLAOLHTWUNF-UDWIEESQSA-N 408.910 5.565 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409211433 NUSXKROEZZUNPU-MFKUBSTISA-N 404.466 5.940 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl 409212093 PZEUMBDGHUHVOV-DHRITJCHSA-N 413.304 6.070 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 409215991 CTZXFMCCUUBOJX-VULFUBBASA-N 414.332 7.030 30 40 HKEB COc1cc(/C=N/O)c(Br)cc1OCc1ccc(Cl)cc1Cl 409370290 OERHDYGAVOAYMS-FBCYGCLPSA-N 405.075 5.152 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC[C@H](C(C)(C)C)C3 2275146 HDIOXAPVKPSZLE-HNNXBMFYSA-N 402.629 5.853 30 40 HKEB C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655452 HTVHZWBFLJZEAF-UHFFFAOYSA-N 415.420 5.620 30 40 HKEB Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1C 4070538 GOFKSQJWRULPGW-CSKARUKUSA-N 400.474 5.550 30 40 HKEB Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 4270049 HQTBTXWIJGESEC-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2)C1=O 5093917 HCWNLRXQCUAPJV-WHEZCBNMSA-N 401.535 5.474 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1ccc(C)cc1 9218935 MAKNJMCOSTZIFW-XMMPIXPASA-N 422.488 5.050 30 40 HKEB CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9428301 ZFLSREJPZXQLTI-OAQYLSRUSA-N 421.880 5.274 30 40 HKEB CCN(CC)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12467619 QMUHYNPZSXIMDG-ANYBSYGZSA-N 424.592 5.254 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1 14257459 LRLCSIVXOFJCEW-AFUMVMLFSA-N 417.465 5.614 30 40 HKEB Cc1ccc(-c2csc(N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 16663004 PZAMWLMNEUVGBS-MFKUBSTISA-N 413.502 5.784 30 40 HKEB N#Cc1c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc2c1CCC2 20436531 JXULIJNMTKGIDO-UHFFFAOYSA-N 404.278 5.323 30 40 HKEB O=C(/C=C/c1cc2c(s1)-c1cc(Cl)ccc1OC2)c1ccc(Cl)cc1Cl 33380844 NXYWHFNATNHVQP-HWKANZROSA-N 421.732 7.164 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@@H](c2nnc(CC)s2)C1=O 33382591 DWRBJSDIUHFJTD-NHEOGQCNSA-N 409.536 5.070 30 40 HKEB Cc1ccc(-n2cccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C 33736528 IRRPIYUVWXNFMN-MTDXEUNCSA-N 418.500 5.353 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 33932725 JDNUEOWPQRBVJU-JYAWBRCSSA-N 417.534 5.093 30 40 HKEB CC1(C)CC(=O)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(NCc2ccccc2)C1 100938233 LZYBGLUMSXORPP-UHFFFAOYSA-N 416.443 5.077 30 40 HKEB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC3=C2C(=O)c2ccccc23)cc1 102930129 RJUSCLCKSYZBEZ-CPJSRVTESA-N 417.508 6.531 30 40 HKEB CCOc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1O 408722961 OSRQBSHBLBFXME-PCLIKHOPSA-N 400.503 6.332 30 40 HKEB Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408768302 FBDPWCNWGOOMTA-YZSQISJMSA-N 401.510 6.801 30 40 HKEB O=C(O)c1cccc(COc2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)cc2)c1 408940491 UUAHLWNNKXVAFY-ZMFRSBBQSA-N 414.383 5.429 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2ncccc2c1 408968477 ZIQVPDARKFZWIM-MTDXEUNCSA-N 410.521 5.230 30 40 HKEB COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 409024777 HFPBEIWETJSJFO-YZSQISJMSA-N 411.461 5.159 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409102534 DEPUXBMYVRTNDB-LICLKQGHSA-N 417.328 5.079 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccccc1Sc1ccccc1 409118355 QDAKYNNXOPWGOV-CFRMEGHHSA-N 417.412 6.211 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1C 409121523 XPPUARXCGORPGQ-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F 409218451 VHDGCJHGWPSGSK-JFLMPSFJSA-N 411.904 6.770 30 40 HKEB COc1ccc2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384937 OLTZZNNLHXPSBV-WPWMEQJKSA-N 405.457 5.108 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1F 1079592 HKMPRASIUWEBRI-CYBMUJFWSA-N 422.258 5.799 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 2447077 VWTMWJLSJPZVML-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(C)(C)C)cc1 3206560 MCUQIGXOZKMHOU-UHFFFAOYSA-N 406.566 6.384 30 40 HKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)c1 5163764 AEVJFVSWCSUSJA-NHDPSOOVSA-N 406.821 5.184 30 40 HKEB COc1cc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 5210350 NOLULOSBETUJKL-BUHFOSPRSA-N 404.462 5.188 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 18197239 FKRIRBJKDULQNN-HXUWFJFHSA-N 404.293 5.575 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(C)c(Cl)c3)c(C)c2s1 72228651 YVQUAXRCHNRTLE-MXAYSNPKSA-N 414.962 6.325 30 40 HKEB CCCCCC[C@H](C)N(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1C(=O)OC 72300855 BOGZXTGCVMHYED-KRWDZBQOSA-N 407.514 5.054 30 40 HKEB CCCCCCCCSc1ccc(-c2ccc(CCCCCCCC)cn2)cc1 100566249 YKQVZYSJWFGJTI-UHFFFAOYSA-N 411.699 9.104 30 40 HKEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1N/C=C1/C=Nc2ccccc21 105759557 KKSPLOXOYBSFMF-WBHIPNMNSA-N 424.476 5.205 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\c1cccc(I)c1 108896562 FCIGQLKWYFIHJA-MTJSOVHGSA-N 408.258 5.090 30 40 HKEB CCCCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 408722595 LQRIAZVJYOUDAB-ZXVVBBHZSA-N 412.558 7.407 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 408930491 XTLDQQCKOKKLLB-AALAYCSSSA-N 421.349 5.634 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409065104 HKGVSJMQPIFOHW-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Sc4ccccc4)o3)c2C#N)C1 409081803 QIAQLWWEWZACNC-WBILBPDKSA-N 420.603 7.266 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)C 409088815 HFXSNTNTBKKACF-FLOSOGMCSA-N 424.610 6.707 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc(Cl)c1 409110628 FMEKFRYBEKNKNB-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB C=Cc1c(F)c(F)c(-c2c(F)c(F)c(Br)c(F)c2F)c(F)c1F 2362803230 RBASPCWQZMUEAO-UHFFFAOYSA-N 403.066 5.872 30 40 HKEB C[C@H]1CCc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2C1 1010206 FXGGJYDWLKDKKS-SFHVURJKSA-N 413.546 5.535 30 40 HKEB O=C(O)c1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 2185446 VPTHCXJRSMEIHA-ZVHZXABRSA-N 410.539 5.138 30 40 HKEB COc1ccc(CCCC[C@@H]2CO2)cc1Oc1ccc(CSc2ccccc2)cc1 2381221 FKUOVAVPFBDZHO-HSZRJFAPSA-N 420.574 6.891 30 40 HKEB Cc1cc(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(C)c1Cl 3085008 SZDDPIHIDYFEGJ-OPEKNORGSA-N 411.288 6.875 30 40 HKEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCCCC1 4516615 JPMGEIUIKXVBAJ-UHFFFAOYSA-N 417.534 5.443 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C#N)C1 4554792 XLILSTDJSUNPIC-MRXNPFEDSA-N 402.519 5.576 30 40 HKEB C=CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S 4578419 IAIJRYLRMSHNKN-LDADJPATSA-N 401.940 5.306 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 6371373 MNIYTFVCIRKINZ-XQNSMLJCSA-N 414.530 5.983 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2C#N)C1 6764134 IMQCBCHUPZFJES-CYBMUJFWSA-N 411.596 5.169 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 6782990 FDAHVWWXTICVJP-OAQYLSRUSA-N 422.481 5.062 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cc2ccccc2o1 8086187 YCRGGYFXXFSIDJ-UHFFFAOYSA-N 418.522 5.171 30 40 HKEB Clc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9196146 QKUFEBMHRJXKHM-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB CCCc1ccc(-c2csc(NC(=O)CCc3c(C)nn(CCC#N)c3C)n2)cc1 13008552 LWYVHQSHRTXDBC-UHFFFAOYSA-N 421.570 5.061 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1cccc2ccccc12 13778633 BZYSHTAEVLIFGZ-UHFFFAOYSA-N 422.335 5.732 30 40 HKEB O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 16739616 YHGLDNGIKVHRHT-VXJVBQPQSA-N 420.921 5.749 30 40 HKEB COc1ccc(/C(=N/Nc2ccccc2)[C@@H](C)C(O)(C(F)(F)F)C(F)(F)F)cc1 17002740 KNOFAXSPFPCKBS-UEBZNITFSA-N 420.353 5.003 30 40 HKEB CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(C)cc2)n1 19820749 UECSPYUSWVDTCC-UHFFFAOYSA-N 411.328 5.552 30 40 HKEB Cc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)sc2c1 57775113 WLJNVZVVDIRHKZ-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)o1 59138047 NZDMNXOSJIUEBJ-WJDWOHSUSA-N 422.337 5.468 30 40 HKEB Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1N1CCCC1 59248950 RVCINDZTGPYYOV-HZHRSRAPSA-N 410.315 6.137 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@H]1O 71789636 GMRQFYUYWCNGIN-UNZVQHSZSA-N 416.646 5.705 30 40 HKEB in-vitro CCCCCCCCCCCCn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 97949640 KUPPMJRKUHCTEN-UHFFFAOYSA-N 424.589 6.264 30 40 HKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 101547720 AQLUCYIBDSTWHO-YZSQISJMSA-N 415.514 5.975 30 40 HKEB Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1Cl 104160679 JFMFYNBZOCFDMG-ROTLSHHCSA-N 418.707 6.925 30 40 HKEB CCn1nc(C)c(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C 118916441 DRNZIQCLIKZYPJ-RDELCZLZSA-N 422.613 5.406 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408535445 YXGCZRPDAZHEQI-BOPFTXTBSA-N 417.317 5.205 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccccc2Br)c1C 408910555 KTVIJAHPCUTDGV-FMCGGJTJSA-N 411.299 5.614 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OCC)cc3C)S2)cc1 408955451 XHYKFDVCIFONEI-HYARGMPZSA-N 424.566 5.807 30 40 HKEB O=C1C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C(=O)c2ccccc21 409129622 VANSFXPNZUFTHL-UHFFFAOYSA-N 407.469 5.573 30 40 HKEB COc1ccc(OCCn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 409140049 DCPQNTFGROSFDP-UHFFFAOYSA-N 423.468 5.192 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409209282 FCWJZOLRJDMOKP-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccncc3)CC(=O)O4)C2=O)cc1 524730707 TWUDUGCYMFSPLM-CWGWECIMSA-N 411.457 5.262 30 40 HKEB biogenic CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)C=C(O)[C@@H]3n3cncn3)c2)cc1 1390425 AMDZKBBKTDMZPP-FYYLOGMGSA-N 403.482 5.108 30 40 HKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 1788637 CRAPWVQTDAVHBA-UHFFFAOYSA-N 414.621 5.504 30 40 HKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 2641952 BYCYLWNXHDCAQL-UHFFFAOYSA-N 420.881 5.551 30 40 HKEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1nc2ccccc2s1 3320538 LRXGDCQDEMEKCI-UHFFFAOYSA-N 422.579 5.508 30 40 HKEB CC1C/C(=C/c2ccc(OC(F)F)cc2)C(=O)/C(=C/c2ccc(OC(F)F)cc2)C1 6172514 DBLHUZVQJNKWLR-BQWARBPISA-N 420.402 6.355 30 40 HKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 9264156 ZEVHKAABLOYYHI-SANMLTNESA-N 424.500 5.516 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 33386839 XIHYHVVFWMMUCK-MNWLEOAJSA-N 417.534 5.093 30 40 HKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 97951685 BVTPPGSNRNOROB-UHFFFAOYSA-N 408.999 6.909 30 40 HKEB FC(F)(F)C(F)(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)F)C(F)(F)F 140628551 QAXJXTAKJWPVPT-SFOWXEAESA-N 420.043 5.151 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408545136 ZFYQJLBSNBXUNL-OXVLKEGXSA-N 400.478 6.245 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 408722063 CUUUSTLIMNKZBD-MFKUBSTISA-N 404.922 6.890 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 408722073 CYLAKYWTACZVSO-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(Cl)c1 408761998 IXQYBEMBVIMNIJ-NDENLUEZSA-N 407.926 5.639 30 40 HKEB COC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N 648162 UIIWIBBBMKEALD-UHFFFAOYSA-N 408.910 5.514 30 40 HKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(O)c1 4663587 KOVIFJGNKBCYKV-CIRUFVMISA-N 409.599 6.073 30 40 HKEB Cc1ccc(-c2cc(-c3c4ccccc4cc4ccccc34)c(C#N)c(N)c2C#N)cc1 4853443 VJHRNNUHRQEGED-UHFFFAOYSA-N 409.492 6.961 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 6187050 FUHRJVVISSICTD-OAQYLSRUSA-N 422.481 5.062 30 40 HKEB CCOC(=O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)c1ccccc1 6544781 UEBJBAWYSOEVAY-QGOAFFKASA-N 415.272 6.083 30 40 HKEB Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C)c(C)c(C)c2C#N)cs1 8726818 CAMSBMPMVGAWPE-UHFFFAOYSA-N 422.579 5.117 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(F)cc1 9345963 MRCRNVIAEHVJCP-JAIQZWGSSA-N 412.775 5.454 30 40 HKEB CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccccc1C(F)(F)F 12600698 DXXPYOGZXGGWJT-IDXBNGHTSA-N 405.445 5.047 30 40 HKEB Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)n2N=C2CCCCC2)c1 16291144 AVZIJGIXDGCERK-UHFFFAOYSA-N 403.526 5.576 30 40 HKEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 18129194 QXHWQTXDXQAVEQ-XJLSEHEASA-N 414.530 5.542 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 20073622 MIKQEZTVZPSUMQ-KEBDBYFISA-N 418.316 5.036 30 40 HKEB Cn1c(/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC#N)nc2ccccc21 30822795 IRQCATACOMUOKN-NBVRZTHBSA-N 401.554 6.328 30 40 HKEB Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(C)cc(Cl)c(C)c3C1=O)C2=O 34463328 WNQYKPVIXDBBAO-FMQUCBEESA-N 421.370 6.716 30 40 HKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2)=C(O)C1 85206077 IUZAYWPRPYUXOA-UHFFFAOYSA-N 402.918 5.826 30 40 HKEB CC1(C)C[C@H]2C[C@@](C)(CN2/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 100970565 AWSVALBOQMCMAS-FANWBLOGSA-N 423.560 7.046 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 408668320 VZWQYNGNQSEOJU-XYOKQWHBSA-N 424.338 6.070 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 408727905 YLCHOSFGPGWZEL-CUHSDLGESA-N 418.562 6.188 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3cc(Cl)ccc3C)cc2Br)cc1 408913577 MBSSKAASMKOMER-SSDVNMTOSA-N 420.759 7.214 30 40 HKEB Cc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1[N+](=O)[O-] 409088284 WPGXRFUOXHBHIA-WYMPLXKRSA-N 423.494 5.117 30 40 HKEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409313083 BAWDGGNNWBFPFX-UHFFFAOYSA-N 412.331 5.117 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)s1 585295140 MVTBAQPQJKPREC-QHCPKHFHSA-N 417.582 5.689 30 40 HKEB O=C1C(=C2SC3=C(SCCS3)S2)C(=O)c2ccccc2-c2ccccc21 2172805 HFPILDDLQYGEPN-UHFFFAOYSA-N 412.582 6.031 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 4083698 JCAPIYBZNRMVCD-SJVRZBHCSA-N 424.585 6.521 30 40 HKEB biogenic CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(C)cc2)n1 5509615 UWRUCZQYJFUDST-UHFFFAOYSA-N 411.328 5.552 30 40 HKEB COc1ccc(N(C(C)=O)/C(=N/c2ccc(Br)cc2)c2ccccc2)cc1 16139012 QRRQVJUOOPWBBK-ZNTNEXAZSA-N 423.310 5.589 30 40 HKEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 20612018 VLNUFZKTWCXVTO-GZSFAVFVSA-N 417.505 5.090 30 40 HKEB biogenic O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1Cl)c1ccccc1N2 21722467 GDFLRPUBZXYWFT-DEOSSOPVSA-N 420.965 6.582 30 40 HKEB CCN(CC)c1ccc(/C=N\Nc2cc(C)nc3ccc(C4CCCCC4)cc23)cc1 31772310 BDOZTUAHIKVCSK-USHMODERSA-N 414.597 6.883 30 40 HKEB CCCCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 100731689 ULJTVQCYHXUMSJ-UHFFFAOYSA-N 410.489 5.459 30 40 HKEB FC(F)(F)c1c(C(F)(F)C(F)(F)F)nc2ccccc2c1Nc1ccccc1 102031487 SZFAOSWPNABWRB-UHFFFAOYSA-N 406.276 6.651 30 40 HKEB COc1cc(/C=N/c2ccc(C(C)C)cc2)ccc1OCc1ccc(C(=O)O)cc1 147489838 XCPGYIPCFJFTKC-CVKSISIWSA-N 403.478 5.846 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 408533418 QWBLLARIUAMXEY-JCMHNJIXSA-N 400.503 5.466 30 40 HKEB CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc21 408912922 MEENXVVZWLMNPS-QMSJJHEMSA-N 403.551 5.982 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 408969163 IHOQTJRXDCZHGZ-PDGQHHTCSA-N 407.351 5.167 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br 409200838 JMJHPCHHMWZKGB-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409201944 OXQMTYCGCNCQSB-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB C=CCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409389698 RHYPLRSGYPABHO-UWKWSCNSSA-N 403.551 5.424 30 40 HKEB Clc1ccc(Oc2ccc(/N=C/c3ccc(I)o3)cc2)cc1 1058486 BDRRSSNSZARVBK-RGVLZGJSSA-N 423.637 6.081 30 40 HKEB C=CCOC(=O)c1cc(-c2cc(C(=O)OCC=C)c3ccccc3n2)nc2ccccc12 2209614 DPEGGIGSAUJVSV-UHFFFAOYSA-N 424.456 5.136 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 6720437 XERBEDAMDXRGFD-DEOSSOPVSA-N 408.929 6.037 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C1CCN(Cc2ccccc2)CC1 9482312 YJZZIISRLUVTTJ-SANMLTNESA-N 415.581 5.448 30 40 HKEB Cc1ccsc1/C=C1\S/C(=N\c2ccc(Br)c(Cl)c2)NC1=O 15229971 LHYHWEVUKPFWNI-QPEQYQDCSA-N 413.749 5.364 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 17092118 IWGLPUOXYUHIEZ-CQSZACIVSA-N 420.365 6.203 30 40 HKEB COc1ccc(CN/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1OC 20195673 VJMUYBBRYUJKSW-CVKSISIWSA-N 410.901 5.060 30 40 HKEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2Cl)C3=O)C1 20647299 JBLNNWJGMYMLNV-HHGUGQKFSA-N 418.320 5.547 30 40 HKEB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132669 CPZADMYVZMOQIM-GXPOEHQZSA-N 419.550 5.022 30 40 HKEB CCc1ccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35291952 AMFYRYLWUMQVNQ-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Nc1ccccc1F 84572881 HOHMOGWPWDAGDX-JFLMPSFJSA-N 424.435 5.231 30 40 HKEB C(=C1/CCC(/C=N/Nc2ccc3ccccc3n2)=C1N1CCOCC1)\c1ccccc1 96400897 VNLLGUZUZFATLX-YHBKODBMSA-N 410.521 5.096 30 40 HKEB FC(F)(F)C(F)(F)OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)F)C(F)(F)F 140628725 QAXJXTAKJWPVPT-PVQJCKRUSA-N 420.043 5.151 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225766029 HCSCHYDUELRARC-QGZVFWFLSA-N 410.945 6.230 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CCC4=C(CC[C@@]4(C)C#Cc4ccccc4)[C@H]3CC[C@@H]2C1 253617243 FCVNCXQMMCVJBR-DPMDMSQCSA-N 416.605 6.693 30 40 HKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1 408752454 HZARMRATPBZMJV-RQZCQDPDSA-N 401.875 5.263 30 40 HKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccccc1 408866855 HBFDRNVADXEZBR-STZFKDTASA-N 404.466 5.296 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OCC 408911423 NLPXCIMZSUFRIC-LBMUFILHSA-N 424.566 5.725 30 40 HKEB CC/N=C1/S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1CC 408929345 IYWCHXSICSXSGN-FYCBZXFJSA-N 407.514 5.141 30 40 HKEB COc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2C)c1O 710908 VSORLVJBKDCPFK-UFWORHAWSA-N 413.109 5.293 30 40 HKEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 1150740 VMGNGHWVTBGXLG-WQRHYEAKSA-N 418.301 5.242 30 40 HKEB CCCCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21 2052813 CFMAPSNWUVLVAJ-UHFFFAOYSA-N 422.525 5.329 30 40 HKEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 2220934 QNDWKEZNHNXNOO-HSALFYBXSA-N 422.573 5.233 30 40 HKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N/N=C/c3ccccc3O)n2)cc1 5003258 KLPCRBDFHNHFHE-WGOQTCKBSA-N 410.477 5.279 30 40 HKEB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 5911703 KBLSBJKQJYPYHT-CWRQFWGNSA-N 406.595 6.546 30 40 HKEB Cn1c(N/N=C/c2cccc(OCc3cccc4ccccc34)c2)nc2ccccc21 7343413 TUKOHPKIGPKTFK-WPWMEQJKSA-N 406.489 5.752 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 12197011 TVOZQNAPBHNPSP-AOYPEHQESA-N 412.489 5.502 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc(OC)cc2)cc1 16217375 SALCWEXWCNURQA-MFKUBSTISA-N 416.502 5.951 30 40 HKEB O=C(c1ccccc1)[C@@]1(c2ccccc2)O[C@]1(C(=O)c1ccccc1)c1ccccc1 16999084 VHTHEVZGLMYPQQ-HNRBIFIRSA-N 404.465 5.573 30 40 HKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 32931741 ZIFSEMZJPZKEAN-GOSISDBHSA-N 414.814 6.267 30 40 HKEB C=CCn1c(SC/C(=C/C(=O)C(C)(C)C)C(C)(C)C)nnc1-c1ccoc1C 40152424 TWAQGIVVKRFQFC-SSZFMOIBSA-N 401.576 5.712 30 40 HKEB CCN(C[C@@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 58161852 CYTFXABWHSPVCF-INIZCTEOSA-N 411.962 5.163 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4cccc(C)c4)NC3=O)o2)cc1 59137832 MTAOZWRPVNUADF-UYRXBGFRSA-N 406.532 5.939 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463688 XDPBLANDSDWMSN-AFUMVMLFSA-N 417.465 6.583 30 40 HKEB CCCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782835 FBMXLHMQUBYVTL-WPGQDAFGSA-N 418.581 5.718 30 40 HKEB CCN1C(=O)/C(=C/Nc2ccccc2)S/C1=N\Nc1nc(-c2ccccc2)cs1 104302431 ANVVUUZZMXFCGG-XCAKVQISSA-N 421.551 5.042 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 105263341 PTWZGVXKEQFRBH-KYYPGUNRSA-N 415.581 5.789 30 40 HKEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(F)cc1Cl 216825926 CFBKOMNENKEJIB-ZBKNUEDVSA-N 402.647 5.027 30 40 HKEB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C#N 225844925 RPPGUFMXUXBFLG-UHFFFAOYSA-N 402.579 5.933 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)SC1=S 408819860 UPOQAILPHMCZBX-ZDLGFXPLSA-N 402.972 5.443 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cccc1OC 408915289 ZCYCHCCTICQAFW-OOOVJVDHSA-N 410.539 5.335 30 40 HKEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409081823 IBWXKYPJBHCPKY-XLNRJJMWSA-N 412.876 5.187 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 409202850 TZHOHEIHQSNYNF-LQKURTRISA-N 415.920 7.140 30 40 HKEB CCOC(=O)c1c(-c2ccccc2)csc1NC=C1Sc2ccccc2C1=O 2049286265 YPQSSRXJQNJUBH-UHFFFAOYSA-N 407.516 5.834 30 40 HKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 1444686 OASAEPWIVQHEKA-YDZHTSKRSA-N 410.813 5.227 30 40 HKEB CC(C)N(CC#C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 2101296 LTKDFKKKYXDIAU-GYGTVUFYSA-N 417.593 5.998 30 40 HKEB biogenic C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 2444658 CECOLWRZJXJDSO-UHFFFAOYSA-N 416.344 5.195 30 40 HKEB Cc1ccc2nc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)oc2c1 3085057 GPKYMLGQFGHZTC-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Br)ccc2O)c1 3206050 IZGIRPZJRLVRPH-ZMOGYAJESA-N 420.262 5.679 30 40 HKEB COc1ccc(OC)c(/C=N/N=c2/sc3cc(C)ccc3n2Cc2ccccc2)c1 4703530 BHDPJRPWJTYYKI-JZQXFWJQSA-N 417.534 5.012 30 40 HKEB C=CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4857645 TVOZQNAPBHNPSP-AHWVRZQESA-N 412.489 5.502 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5255244 XWHAWMJTYAVERR-MTJSOVHGSA-N 408.812 5.623 30 40 HKEB Cc1ccc(NC(=N\C2CCCC2)/C(=N\C2CCCC2)Nc2ccc(C)cc2)cc1 5784013 RNTXSOMWRPLYSJ-UHFFFAOYSA-N 402.586 6.510 30 40 HKEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 6049290 WUTCCFYSTQGRSJ-SOFGYWHQSA-N 403.419 5.178 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S[C@@H](C(=O)O)c1ccccc1 6473979 ABUKUMWSIDVZJQ-MRXNPFEDSA-N 420.437 5.619 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1cccs1 11868602 UDHNJSHPYIVNDY-IUXPMGMMSA-N 417.269 5.890 30 40 HKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 13477978 ZBXVTMKMPKOKOD-AUEPDCJTSA-N 411.776 5.652 30 40 HKEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)o1 18255123 QWVNVONFDGZYBJ-UVTDQMKNSA-N 408.310 5.078 30 40 HKEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2ccccc2c1 20065272 NAHGGULQIGPSGW-OFWBYEQRSA-N 417.556 5.951 30 40 HKEB CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)c1 32984334 QKSZHCAZIYQBHM-UHFFFAOYSA-N 421.493 5.346 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(N/N=C/c3ccc(F)cc3)nc2-c2ccccc2)cc1 59484276 QKRCOVANZYCSJC-ZVHZXABRSA-N 418.453 5.970 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(C)cc3)c(C)c2s1 72228765 OKZJDLVFHDEKIK-MYYYXRDXSA-N 410.543 5.437 30 40 HKEB CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 100574614 JZZRFAMGHFIDOH-UHFFFAOYSA-N 401.506 7.188 30 40 HKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(C)C)cc3)C[C@H]12 105263841 LYWNEJOPIMJYIT-JTLFAELUSA-N 414.589 6.937 30 40 HKEB CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 253618137 TXUICONDJPYNPY-MJJMKQQSSA-N 414.630 6.647 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 408681002 ISXKXCSKOSDZPC-UHFFFAOYSA-N 422.613 7.117 30 40 HKEB COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409215695 DQYVDIGMCFGERV-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889197000 GQZPOAUVKZAMQR-NSLJLKJKSA-N 406.610 7.081 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)CC[C@]12C[C@@H]1CCCC[C@]1(O)O[C@H]2c1ccc(F)cc1 2090643 XZPGAROSGKQXQY-PVXHUSLESA-N 424.487 5.738 30 40 HKEB biogenic O=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 2100182 CLTVQFHMUAFZOR-UHFFFAOYSA-N 407.329 5.158 30 40 HKEB C=CCN1C(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)SC1=S 2961212 MNNMNMLRWOXTTA-JCMHNJIXSA-N 417.555 5.806 30 40 HKEB COc1ccc(N2C(=O)CS/C2=N\N=C\C=C(/Cl)c2ccc(Cl)cc2)cc1 3126613 CPQBHZMKLOKYLX-NVGNJDAMSA-N 420.321 5.050 30 40 HKEB O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@@]2(O)[C@H]1c1ccccc1 5052014 LHPXMMJJEPOBSZ-LITSAYRRSA-N 400.477 5.832 30 40 HKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 5551123 ATNPQLHNBPJKMK-AQTBWJFISA-N 415.356 5.683 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 8371767 MXSJKSFMCCOVQJ-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1ccc(C(=O)C[n+]2ccccc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 8844875 CWELIDYLTPGUED-UHFFFAOYSA-N 421.929 5.310 30 40 HKEB CCCCSc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1 16639413 GHIXGCLUBUAZSH-WJHCFOETSA-N 421.610 5.736 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1Cl)OCO3 18197426 VLUUQESHWBRSFY-IBGZPJMESA-N 416.304 5.923 30 40 HKEB CN(c1ccccc1)c1ccccc1NCC(=O)Nc1ccccc1SCC#N 40122937 POOYVHRBQSYUQC-UHFFFAOYSA-N 402.523 5.121 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 59224276 USWRWFVMZCEQEG-CHHVJCJISA-N 423.719 5.008 30 40 HKEB CCCCCCCCCCCCCCCC[n+]1ccc(/C=C\c2ccccc2)cc1 104095740 DADCKPIJNGYQFJ-DQRAZIAOSA-N 406.678 8.626 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 105263331 PTWZGVXKEQFRBH-VAQUOZORSA-N 415.581 5.789 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/SC(=O)N(CCCC)C2=O)cc1OC 109597435 JSPYUWMQTQRDGW-HEHNFIMWSA-N 419.587 6.271 30 40 HKEB COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 408619771 HJOXWZDGQUJCLC-UKTHLTGXSA-N 423.306 5.933 30 40 HKEB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 408816820 WRQSQKGPZPCIJX-PXNMLYILSA-N 419.289 5.110 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)nc1 408897120 VVQYTIXKZVLXLL-AUEPDCJTSA-N 417.252 5.322 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 409209747 IGNIBXTYBAWLBN-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc(N(C)C)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 409358168 KIPUAAWVUPJSOM-UXHLAJHPSA-N 419.528 6.919 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Cl)c3C)c2)cc1C 409383371 WVIMHOMPOGVFJW-VULFUBBASA-N 406.913 6.033 30 40 HKEB CC[C@@H](C)n1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409405752 VFBMLJVSEHWXDY-LJQANCHMSA-N 420.516 5.871 30 40 HKEB Cc1cc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 1864559 IDBNPJPEWUVRMI-UHFFFAOYSA-N 416.349 5.139 30 40 HKEB Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c1 4872326 YEIUVRKLZLUHDW-GOSISDBHSA-N 423.582 5.179 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)C1 6262651 ZDOLZGLGEBDXGD-QGTPRVQTSA-N 412.986 6.166 30 40 HKEB C=CCOc1c(Br)cc(CN[C@@H](C)c2cccc(F)c2)cc1OCC 8395698 HWZNJQIGJPBCLQ-AWEZNQCLSA-N 408.311 5.403 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1ccc(F)cc1 9012574 LNPJCXGMBYQGRY-FQEVSTJZSA-N 420.513 5.191 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 16525809 DXBKBNBWFFDGEP-UVHMKAGCSA-N 416.839 6.897 30 40 HKEB CCCCSc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1 16639415 GHIXGCLUBUAZSH-BOKVAXDPSA-N 421.610 5.736 30 40 HKEB CC(=O)Oc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 17146042 NGQNVNYQDYPVIQ-WMOWQXFYSA-N 414.486 5.421 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1O 59475134 KFEVFTXHGBESNE-CVKSISIWSA-N 419.937 6.672 30 40 HKEB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)c2cccc(C#N)c2)c1 60083895 IZLIHVVWNOCDHR-UHFFFAOYSA-N 410.452 5.135 30 40 HKEB N#CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 84393528 DRJMBYCQQMLNDP-LJQANCHMSA-N 403.404 5.367 30 40 HKEB CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCCCC)cc2)cc1 100245471 UIEADUQPTARFGA-NKFKGCMQSA-N 407.510 5.779 30 40 HKEB biogenic,in-vitro CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)O[C@H]1C[C@@]3(C)CC[C@H]1C3(C)C)C2 100744665 CLHQHYNIOKAGEX-TWSGJQMBSA-N 420.658 5.052 30 40 HKEB CC1=CC(C)(C)N(C)c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 208448333 QFOGQIWUGMAPOA-MZURAFEFSA-N 403.551 5.552 30 40 HKEB O/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339611 MUUGEPHOTAGAIX-SWNXQHNESA-N 409.494 5.796 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(Cl)c3)c3ccccc32)o1 408540865 CFYLYSHYKYNHPW-VROXFSQNSA-N 413.260 6.038 30 40 HKEB C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408845353 MJAZLHOEFMTAOT-ONUIUJJFSA-N 416.546 6.195 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1C 409200909 KICLMBHQGXDBNR-LQKURTRISA-N 409.485 6.484 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3ccc(C#N)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 409345013 JZYNZBRVZNVASR-OCSSWDANSA-N 401.469 6.724 30 40 HKEB CCCCCCCOc1cc(OCCCCCCC)c(C(C)(C)C)cc1C(C)(C)C 1083802090 AAMSHEGLMGDAEN-UHFFFAOYSA-N 418.706 8.980 30 40 HKEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc23)cc1 1052177 PKYYIIXBMKATPM-UHFFFAOYSA-N 402.519 5.430 30 40 HKEB C=CCSC1=N[C@@H](c2ccccc2Cl)C=C(c2ccc(Br)cc2)N1 2192736 DYCJYXQYMAPWSQ-GOSISDBHSA-N 419.775 6.063 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 4181660 VOPFGQSZFQTNNB-VNCGKFBJSA-N 409.489 6.480 30 40 HKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 6241078 QQUBFAWTJTXZQP-BCHFMIIMSA-N 414.574 6.532 30 40 HKEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)cc1 6732519 JPCNAAMDVDHYMV-OAQYLSRUSA-N 420.900 5.019 30 40 HKEB O=C(Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 6890577 XSFCTUKXJURGKV-LUAWRHEFSA-N 412.397 5.277 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)nnc1C1CCCCC1 7633890 KDQLKXRVQMQYOF-MRXNPFEDSA-N 410.587 5.120 30 40 HKEB Cn1c([C@@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)nc2ccccc21 13282757 RUFCDEOQWGOUPO-ZDUSSCGKSA-N 414.515 5.402 30 40 HKEB COc1cccc(C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)c2nc3ccccc3o2)c1 13681755 NISSZKNMXZFBSD-VULIGXMUSA-N 423.468 5.967 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc(C)c1 21961212 CZJHPILUWOWFHZ-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CCCCCCCCC(C)(C)c1ccc2c(c1)OCCOCCOCCOCCO2 59663514 SDSHGSSUODONKY-UHFFFAOYSA-N 422.606 5.536 30 40 HKEB CCCCCCCn1c(N)c(C(=O)OCCCCCC)c2nc3ccccc3nc21 97952657 UIAYEXDMYIIFGM-UHFFFAOYSA-N 410.562 5.874 30 40 HKEB CCCCCCCCCCCCCCCCCCn1c([C@H](C)O)nc2ccccc21 100729038 WILFVODEZMIOLL-DEOSSOPVSA-N 414.678 8.351 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Br)c1 101736581 QWQKWSVYFHVHLI-UKWGHVSLSA-N 415.199 5.097 30 40 HKEB O=C(Oc1ccc(/C=N/c2cccc3c2C(=O)c2ccccc2C3=O)cc1)c1ccco1 102946995 KHTDGHFZORHYMM-JFLMPSFJSA-N 421.408 5.025 30 40 HKEB COc1c(C(=O)n2cc(C#N)c3ccccc32)cc2ccccc2c1Br 226361518 KGFIHOZGYRMRGF-UHFFFAOYSA-N 405.251 5.126 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408672508 VFMPBGYQOPGFRC-UKTHLTGXSA-N 413.300 6.477 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)c1 408754319 MPUHXPORJFJHCD-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1F 408913088 SKTVAQRZRVBWDM-UHFFFAOYSA-N 402.421 5.266 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(Br)c1 409053021 WDMUDGNFANTASL-FXBPSFAMSA-N 400.297 5.314 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 409206081 HKYDFARICILYCB-UHFFFAOYSA-N 417.130 5.941 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3cc(Cl)ccc3C)c2)cc1C 409375419 KLXGGDSPPFRHCN-VULFUBBASA-N 406.913 6.033 30 40 HKEB N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccccc1F 2479331 YCAHKKLVLBNAGW-UHFFFAOYSA-N 408.548 6.842 30 40 HKEB N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 3009597 VRYSLPUYJXQTOK-UHFFFAOYSA-N 418.452 5.834 30 40 HKEB Cc1cccc2oc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3O)nc12 3114176 PKWJZJUINOAMAL-AUEPDCJTSA-N 423.812 5.527 30 40 HKEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 4812802 BKHMBQISFIFGCR-FQEVSTJZSA-N 423.605 5.052 30 40 HKEB O=C(O)c1cccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 5572168 QYQNTFXRWCXHKR-ZXVVBBHZSA-N 407.473 6.301 30 40 HKEB CCCCc1nnc(S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 6072960 CZQNGVWSGIRUEJ-PCLIKHOPSA-N 416.550 5.524 30 40 HKEB C=CCNC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 6562651 HPHXVJAEGPGGPR-UHFFFAOYSA-N 408.577 5.559 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl 10118880 CQDQMAVLQOJBPM-RWPZCVJISA-N 422.359 6.429 30 40 HKEB COc1cccc(N2C(SC)=N/C(=N\c3ccccc3)[C@@]23CCOC(C)(C)C3)c1 13778123 QLARRAVGCGNKRK-ODMPFRHRSA-N 409.555 5.292 30 40 HKEB Cc1cc(C)nc(S/C(=N/c2cc([N+](=O)[O-])ccc2C)c2ccc([N+](=O)[O-])cc2)n1 16311747 ICVWMYYFZFOMMY-FCDQGJHFSA-N 423.454 5.089 30 40 HKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 34112430 PROGDNSPTJYDEC-BIENJOIISA-N 424.487 6.112 30 40 HKEB O=C1CCCC2=C1C(c1cccc(OCc3ccc(F)cc3)c1)C1=C(CCCC1=O)N2 59193517 AXHATESSJMZTKY-UHFFFAOYSA-N 417.480 5.106 30 40 HKEB Cn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 59676402 UUKAWCDXVLEINR-CVKSISIWSA-N 413.546 6.122 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 66091554 QUIDJKZXUZUFEV-HSZRJFAPSA-N 400.522 5.238 30 40 HKEB Cc1cccc(N/C=C/C(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 100146719 MAVKDAKWTHYQHQ-VAWYXSNFSA-N 412.316 6.689 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260742593 XPKFLTXTUKWCIA-OALUTQOASA-N 409.599 5.535 30 40 HKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1C 408929909 PNMCANHBKJUXIH-ODJLBJFPSA-N 407.322 5.104 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 408963931 BFWUPHJRXOHBHA-OVVQPSECSA-N 402.538 6.364 30 40 HKEB CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409056353 LQHSZCLGJAJHOC-UHFFFAOYSA-N 421.320 5.910 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1C#N 409100994 OEOCBGBFCFQWKB-QRVIBDJDSA-N 414.486 5.231 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)c2ccccc21 409119188 RHZLXDLHJZGLIR-HMAPJEAMSA-N 410.473 5.053 30 40 HKEB COc1cccc(/C=N\c2ccc(Cl)cc2O)c1OCc1ccc(C(=O)O)cc1 409186931 JTPVUAHFDOJBCX-MSXFZWOLSA-N 411.841 5.082 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br 409200714 JVZZDTOZNIFZSV-CIAFOILYSA-N 421.132 5.537 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)S1 409244841 JJHILJADLWCAQI-XDHOZWIPSA-N 422.941 5.343 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2ccc(-c3ccccc3)cc2)c2ccccc21 2429566 AJDCDAXBECTZAC-MUUNZHRXSA-N 417.533 7.220 30 40 HKEB C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)N1CCCCC1 9396361 CIGVFQFTQXLVOA-KRWDZBQOSA-N 421.545 5.117 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 15012785 KNAKDKAHYTXVFA-NDENLUEZSA-N 406.894 5.013 30 40 HKEB O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)Cc2ccccc21 34719404 UGUNDCMHMNUTSP-HKWRFOASSA-N 420.468 5.133 30 40 HKEB Nc1nc2ccccc2n1/C(=N/C(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 41097493 VUEOWRJRLJPMRR-HZHRSRAPSA-N 400.096 5.410 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@@H]2c1ccccc1C(F)(F)F 44973893 MSXXKWRSUCJXEF-CYBMUJFWSA-N 421.444 5.064 30 40 HKEB O=C1CN(Cc2ccccc2)[C@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl 59435454 JAEXNLRIOFEXSF-XHEHIBSSSA-N 424.331 5.371 30 40 HKEB CC(C)C[C@]1(C(=O)Nc2ccccc2)O[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1 65734419 WTTRRISNQAPVTN-FTJBHMTQSA-N 417.480 5.358 30 40 HKEB in-vitro Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc(F)c1 95116679 VVOJPNSGAIFELH-JLHYYAGUSA-N 401.868 6.899 30 40 HKEB CCOc1ccc2ccccc2c1/C=N/c1ccc(I)cc1 101667605 PIMYFITWCZFVHU-FYJGNVAPSA-N 401.247 5.594 30 40 HKEB CC1=CC(C)(C)N(C)c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 223470685 QFOGQIWUGMAPOA-SXZIKPQKSA-N 403.551 5.552 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1O 408769607 WZYLMIHSYCATPS-YSMPRRRNSA-N 420.534 5.022 30 40 HKEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc2ncccc2c1 408959561 AZLCHZUJNDOCNB-DRIWLZCMSA-N 414.534 5.069 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCCCC2 408970967 BOHSSVZHAOUQTM-PCLIKHOPSA-N 404.535 6.116 30 40 HKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409088736 XTQJTAMKLADKQH-CIRUFVMISA-N 406.551 5.542 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409211840 OKOXZOYNYLJVCM-AFUMVMLFSA-N 412.302 6.480 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)S1 409245675 XKTRFPUCJFVFSE-VCHYOVAHSA-N 421.349 5.981 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)s1 1531297117 NHWOLMDZOLXTJO-YPZZKDGISA-N 424.751 5.270 30 40 HKEB Cc1ccc(C[C@@H]2S/C(=N/c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 2669210 RQXNBRLBEXWBPL-GFGGGFFZSA-N 400.547 5.991 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@@H]3CC[C@@]21C 4061011 OZJGJSHDHAGQJH-RJBPHWKSSA-N 400.647 6.568 30 40 HKEB biogenic CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 4168030 IGDFBXCEOTZSNK-SANMLTNESA-N 417.597 6.372 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c(OC)c1 4828551 IMRVUCXHGZYKGL-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB CC(C)c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 5129618 ZGMHBSAJCLXCSO-YZSQISJMSA-N 423.524 5.928 30 40 HKEB Cc1cc(-n2c(C)cc(/C=N/c3ccccc3)c2C)ccc1I 5330595 GQKKBABLXIVMMF-LPYMAVHISA-N 414.290 5.758 30 40 HKEB Cc1ccc2[nH]c3nc(N/N=C/[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 5602583 QYIMABHCVGWZOK-MQLVQPQLSA-N 402.546 5.621 30 40 HKEB biogenic Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 6426993 VCSAZRPZJJCAKW-JOCHJYFZSA-N 401.437 5.225 30 40 HKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(CC)cc3)NC2=O)c(Cl)cc1OC 6489875 YIMXMGPNURVCTO-YBFXNURJSA-N 416.930 5.201 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 13546934 QXHWQTXDXQAVEQ-CUHSDLGESA-N 414.530 5.542 30 40 HKEB O=C(O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 16451090 JAULBKNWXFXQCL-MIIQOVFOSA-N 406.507 5.322 30 40 HKEB C=CCc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1O 36245384 JHCXWEPLXJISKK-QFIPXVFZSA-N 401.897 5.919 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)Nc1cccc2ccccc12 104359217 OJCQPYVASOUYJE-UHFFFAOYSA-N 410.646 8.443 30 40 HKEB Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2)cc1 408884008 XNJDTSMXGRUYIY-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408959649 CNOYGIJBPMYECC-YDZHTSKRSA-N 421.457 5.227 30 40 HKEB C=C(C)COc1cc2oc(C)c(-c3ccc4c(c3)OCCCO4)c(=O)c2cc1CC 728042 RLAUMEUSVLXCCF-UHFFFAOYSA-N 406.478 5.447 30 40 HKEB biogenic C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccccc1 4689791 HHQOCKNMIVNHSJ-XSFVSMFZSA-N 409.507 5.059 30 40 HKEB COc1ccc(/C(CCc2ccccc2)=N\Nc2cc(-c3ccccc3)nc(C)n2)cc1 4785475 TVLBUIVKQLZORV-JVCXMKTPSA-N 422.532 5.910 30 40 HKEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 4879367 SIPQPBVPHUAFTB-NRFANRHFSA-N 420.513 5.040 30 40 HKEB COc1ccc(/C(C)=N\Nc2nc(-c3ccccc3F)nc3ccccc23)cc1OC 5051378 JQIHYTSTKYSKFD-MBTHVWNTSA-N 416.456 5.289 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1 5283134 BFHSBMZEEXGMIB-VXLYETTFSA-N 411.093 5.233 30 40 HKEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 9495819 JEXVXQJEZRHTAE-QPJQQBGISA-N 423.630 5.237 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(Cl)cc2)cc1 12348045 JYSQLDWFRJIBJK-JOCHJYFZSA-N 403.913 5.707 30 40 HKEB COc1ccc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc1OC 13569692 NQMJMIPXAVCSPE-LGMDPLHJSA-N 403.409 5.408 30 40 HKEB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C/c4ccccc4)cc32)cc1 17284993 SDJXPKUQLHGMCD-PNVVVLDVSA-N 400.525 7.073 30 40 HKEB Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3sc(C)c(C)c23)cc1 23406337 QVARCNAFGGSLHG-INIZCTEOSA-N 410.568 5.044 30 40 HKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3cccc4nccnc34)c(-c3ccccc3)c2c1 89657492 PFZGGEXPAHXHIE-WYMLVPIESA-N 415.496 6.358 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 97940027 LAJIGWHPWBXEFP-LJQANCHMSA-N 411.542 5.762 30 40 HKEB CCCCCCCCOc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1 97980754 WZMSJLHRJJNACJ-OVVQPSECSA-N 409.961 7.074 30 40 HKEB Cn1nc(C(F)(F)F)c(/C=N/c2ccc(F)cc2F)c1Sc1ccc(F)cc1 100271431 YBMBNGGQAMYYQP-YCPBAFNGSA-N 415.362 5.758 30 40 HKEB C=CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(/N=N\c2ccccc2)cc1 101024989 AEFXIBIKXVEEHM-DQSJHHFOSA-O 411.554 7.356 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118913846 PRYIJAGAEJZDBO-UZNGJORASA-N 402.663 6.600 30 40 HKEB biogenic,in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 245236187 QQLGOIZFZABLDX-LWWYPVKOSA-N 422.674 5.298 30 40 HKEB biogenic Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)cc1 408691971 ADIBXEDGOAZXGF-BUHFOSPRSA-N 401.506 5.864 30 40 HKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cccc(OC)c2o1 409327033 GWSAAMMMXFSJSB-UHFFFAOYSA-N 411.914 5.832 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(C)cc1 409334260 WLGQKSMHTVGZKJ-UHFFFAOYSA-N 414.534 5.324 30 40 HKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409347403 PWWLTIPVDAXNID-YVLHZVERSA-N 422.358 5.964 30 40 HKEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387196 UQCSLPKMXJPUQI-FMCGGJTJSA-N 423.494 5.391 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC(=O)OCc2ccccc2)n1 663804 GZIVIWAYGVIPDJ-UHFFFAOYSA-N 408.445 5.105 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O 974095 VQYLOJFCMHFVPO-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB COc1ccc([C@@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 2256418 RBOGPKVWIXSIBP-FQEVSTJZSA-N 415.276 6.079 30 40 HKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1cccc(F)c1 4785762 LYIMSWVMZSJHHZ-UHFFFAOYSA-N 421.541 5.291 30 40 HKEB CSc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1 9547493 YWBCUJMUQALNIB-ZHRRBRCNSA-N 418.518 5.369 30 40 HKEB N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 27562646 JQHRXYPMPSRNJY-GOSISDBHSA-N 412.946 5.567 30 40 HKEB COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Cl)c1OC 33293481 RDFMGTCYJODZGE-CXUHLZMHSA-N 423.321 5.211 30 40 HKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 33435835 ZZQKGZIGAUAWLR-CZSVHLHGSA-N 421.629 5.878 30 40 HKEB OC1=NC(=N/c2ccc(OC(F)(F)F)cc2)/C(=C/c2cccc3nccnc23)S1 72401996 XKZHDOSBVHHJAX-GDNBJRDFSA-N 416.384 5.260 30 40 HKEB N#Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226327429 JLAIGKQQPGXJEG-UHFFFAOYSA-N 404.034 5.049 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C(C)(C)C)cc3)c3ccccc32)c1 408541467 GKBHDSMTZYZPPF-RHANQZHGSA-N 424.544 6.524 30 40 HKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 409212286 PLSYSEWBUXCJOH-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB Cc1ccccc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409300658 XYBAINMPGHVIAX-UHFFFAOYSA-N 413.864 5.654 30 40 HKEB CC(C)Oc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409400725 APWDUNDSALIDDD-UHFFFAOYSA-N 417.896 5.386 30 40 HKEB O=C(c1sccc1Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242920 YGLAMGPHKNEYEH-UHFFFAOYSA-N 409.067 5.162 30 40 HKEB O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 575361060 PTAMRILXPJFNBV-UHFFFAOYSA-N 410.129 5.740 30 40 HKEB Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1Cl 2791529 RZLLXKGBTWQHOU-CQSZACIVSA-N 418.994 5.266 30 40 HKEB CCOc1cc(/C=N\OCc2ccccc2)ccc1Oc1nc(Cl)ncc1F 4503471 DSENJYDPUMRZEO-MYKKPKGFSA-N 401.825 5.011 30 40 HKEB Cc1cccc2cc3c(nc12)S/C(=N/Cc1ccco1)N(Cc1cccs1)C3 4886112 DOADEMYSCRPRRJ-GHVJWSGMSA-N 405.548 5.862 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC)o2)cc1 6535358 DBOCNLKMJFHLCV-ZMOGYAJESA-N 411.841 5.314 30 40 HKEB COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)ccc1OCC#N 12863111 RVJHFVNWSYQJCO-RNYZQXAPSA-N 412.489 5.155 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 17147483 HKEPEDSZMBDHAW-OAQYLSRUSA-N 405.400 5.056 30 40 HKEB S=c1ss/c(=N\C(=N\c2ccccc2)c2ccccc2)n1Cc1ccccc1 17189702 CYLUPPPDFOCPQE-PQBHCXAESA-N 419.600 6.068 30 40 HKEB O=C(/C=C/Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1 32194165 CLBWBEMFDLMVFD-BQYQJAHWSA-N 415.512 5.674 30 40 HKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@H](C)CC1(C)C 198095828 WOFPFLHRPXAERH-LBGKPPMZSA-N 412.577 7.650 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)S/C1=N\c1ccccc1 408916362 WQGMDJSKQGERRY-ZIGJTDFESA-N 400.931 5.753 30 40 HKEB Cc1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1I 408961970 WETQLCRXSYJPPE-STZFKDTASA-N 404.295 5.341 30 40 HKEB Cc1cccc(Cn2cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1 409069415 KTDXEKXQDSSLCB-KVSWJAHQSA-N 408.427 5.858 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409210761 KZEBOVCZYOFXHY-DHRITJCHSA-N 416.304 6.340 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(Cl)c1 1531256486 CTRCZGXGKFNNLV-WSDLNYQXSA-N 418.722 5.037 30 40 HKEB COC(=O)c1ccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2OC)cc1 868973 AKBDNBRORQFEQQ-AFUMVMLFSA-N 400.434 5.349 30 40 HKEB biogenic CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 2752256 CIYGSGPRJJWFLV-HNNXBMFYSA-N 400.975 5.995 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccccc3)c2C(=O)Nc2ccccc2)C1 4545629 RSIOQRFUJGTMTP-VEMGOHLESA-N 416.590 6.902 30 40 HKEB COC(=O)CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1 6169580 UPBTYCQWNLVIIK-DNTJNYDQSA-N 411.335 5.619 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 6720065 MYIRPXOYKWZIJX-HXUWFJFHSA-N 407.853 5.020 30 40 HKEB C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)c1C 6908994 STIHXTLGCNWSSV-UHFFFAOYSA-N 415.562 5.913 30 40 HKEB CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195568 UOSZIYZGSPVWKU-WYMPLXKRSA-N 417.292 5.554 30 40 HKEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 10119092 AFAACUKLROBSDL-LQKURTRISA-N 419.912 5.313 30 40 HKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 17089025 KDUPZOGRFQXVKY-HNNXBMFYSA-N 411.596 5.206 30 40 HKEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)c(C(F)(F)F)c1 40110786 HEVRGTQFOZZDMQ-UHFFFAOYSA-N 421.831 5.530 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 97939920 RSPLBLJRSNSPMZ-QGZVFWFLSA-N 401.934 6.016 30 40 HKEB CCCCCCCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 97951181 FKLQENQQNILAKI-UHFFFAOYSA-N 413.587 5.608 30 40 HKEB CCCCCCCOc1ccc(NCc2ccccc2OCCc2ccccc2)cc1 100033825 ZQWJKBUILWVYPU-UHFFFAOYSA-N 417.593 7.269 30 40 HKEB CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 101662589 RMJDPKIYHQMFID-PGMHBOJBSA-N 408.454 5.289 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226326249 SPRRNRMEFGQCDQ-UHFFFAOYSA-N 411.679 5.033 30 40 HKEB CC(/C=C(\C)c1ccc(-c2ccccc2)cc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 245240822 TYWYLEHJUMGPDQ-LXJZGTMRSA-N 416.437 6.061 30 40 HKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC 408558091 PRHUIHPVZOJKSK-UHFFFAOYSA-N 415.114 5.389 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2CC(C)C)cc1 408909211 GOSKPZWEUAMSLE-HUOZHCEOSA-N 400.547 6.408 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 408966566 MESFSCCAKXPNJR-OYKKKHCWSA-N 405.454 5.238 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(Cl)cc1 409117288 MTTIFQJUFXEKCJ-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB N#Cc1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2c1CCCC2 409210038 HSHUQNAXYFGRGA-WYMPLXKRSA-N 404.451 5.345 30 40 HKEB COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1OC 1007066 DFVKEVXXGNNGOV-YSHZOFOISA-N 423.321 5.244 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(Cl)cc3)ccc2C1=O 2429367 GXXCNAULXJFJHD-YUMLRZHGSA-N 418.876 6.100 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O 4150561 AQLPXEMLQFERCT-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1 4150990 JLXYVCYEFVJUGG-IADCTJSHSA-N 422.572 7.098 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Cl 4737351 RBMYWKOVPJGNCG-KEBDBYFISA-N 400.778 5.171 30 40 HKEB Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)cc1 5279609 HBEWIJQFXBZUMQ-UHFFFAOYSA-N 413.995 6.797 30 40 HKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C(F)(F)F)NC1=O 5376516 PKTRNVSFKZPDBM-ATVHPVEESA-N 404.413 5.162 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(CCCC)cc3)C2=O)cc1 5551885 KYXHIRFZFLMUJJ-PGMHBOJBSA-N 409.576 6.000 30 40 HKEB CCCCCOc1ccc(/C=N/n2c(-c3ccc(OCC)cc3)n[nH]c2=S)cc1 9012329 PCVCXMCUSMHQGE-XQNSMLJCSA-N 410.543 5.458 30 40 HKEB C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1-c1ccc(Cl)cc1Cl 12857825 LDIMUEFNIUBTCK-NSHDSACASA-N 424.357 5.627 30 40 HKEB Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 16384854 SQZAGFRGAWXZJC-ASIDMNOUSA-N 402.152 6.618 30 40 HKEB CCCCOc1ccc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc1 21540233 APKJVJWZHKSOGM-FXBPSFAMSA-N 415.464 6.569 30 40 HKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(OCC)c2O)cc1OC 32114899 DIAZNZBDKJWACQ-YDZHTSKRSA-N 404.894 5.332 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1Br 32975871 IJOLFZAFAZPQRZ-UHFFFAOYSA-N 409.308 5.724 30 40 HKEB O=C(/C=C\c1cc2ccccc2c2ccccc12)c1ccccc1OCc1ccccc1 95931007 ZCNODABXKAIVES-HNENSFHCSA-N 414.504 7.468 30 40 HKEB CCCCCCCCN1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 100544105 IKKOEFAXERCDOM-ZOVQAKDCSA-N 401.550 5.413 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 102656327 BMIGTXYIXHJPND-VULFUBBASA-N 418.518 5.036 30 40 HKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1 102861285 ZYJPYFHTSJJTKR-JBCNATCCSA-N 403.865 5.275 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)cc1 408787200 UNRDSDCHMXVSOF-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OC 408912974 OUOQQRJZYUIUQA-NRYATJGXSA-N 424.566 5.805 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cn(CC#N)c4ccccc34)c2C#N)C1 409081841 QUCNKMOEUQWWNK-HDFIIFABSA-N 400.551 6.000 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 1852954 UTLWRMKKFFXXCR-OPEKNORGSA-N 417.258 6.459 30 40 HKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2ccccc2)c2c1CCCC2 2066770 JPUXCNMOXGUZIH-UHFFFAOYSA-N 414.530 5.335 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2C1=C(c2ccccc2)N=NC1 4117244 UAIADAVRPPOANA-HHHXNRCGSA-N 419.528 6.654 30 40 HKEB C(=C/c1cc2c(cc1/N=C/c1ccccc1)N[C@H](c1ccccc1)C2)\c1ccccc1 4235253 NNHUHSLDRWWVTG-RYJPUXHNSA-N 400.525 7.317 30 40 HKEB CC(C)OC(=O)C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F 4476485 JCTZFRASAADTQY-XKZIYDEJSA-N 405.829 5.135 30 40 HKEB CCc1ccc(-c2csc(N/N=C(/C)c3ccc(Br)s3)n2)cc1 4535949 ZNRFSSOWOPXDOF-JAIQZWGSSA-N 406.374 6.033 30 40 HKEB Cc1csc(N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)n1 4592584 BYFKICLKUYUDQB-KEBDBYFISA-N 402.317 5.239 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc(Cl)cc1Cl 4646801 WRYUJFMYNZGHDI-JXMROGBWSA-N 413.300 6.477 30 40 HKEB C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 4935243 LLWGNAGAPXUASA-SVCNVDQGSA-N 407.926 5.347 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1c(F)cccc1Cl 9422613 MQRJXMYKWABAGH-UHFFFAOYSA-N 422.834 6.724 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c1 12859417 MHCFNPPIEBFFPE-CFRMEGHHSA-N 402.446 5.207 30 40 HKEB biogenic COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C/c3cccc([N+](=O)[O-])c3)c2c1 16227752 DISJTRMQNVVLLC-JUWNEVKWSA-N 424.460 5.768 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/c2cccc(Cl)c2)nc1-c1ccc(C)cc1 16751495 PKPWNRCCWUDDDO-WSDLNYQXSA-N 414.918 5.786 30 40 HKEB C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 17299818 MIYATPGBJMJIGW-WOJGMQOQSA-N 418.301 5.242 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 18197237 FKRIRBJKDULQNN-FQEVSTJZSA-N 404.293 5.575 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 59425583 DTKSUAAJPSHADI-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 65453315 MQEYBVPXKPFTEU-MRXNPFEDSA-N 402.523 5.396 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)cc1 100212127 ALORRTARUTWUAW-WPWMEQJKSA-N 402.538 6.319 30 40 HKEB CCCCCCCCN(CCCCCCCC)[C@H](C)[C@@H](O)c1ccc(Cl)cc1 100691174 LOECSSCDXGDTPJ-RCZVLFRGSA-N 410.086 7.785 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916315 OCCYLBDLKHPVGI-IIPNVZOPSA-N 413.001 6.306 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 198080654 RYEJPWWJMOXSKJ-DFVFNMDZSA-N 412.577 7.568 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(Br)c(Br)o1 408845424 GUPQWJIOTKLFKB-SOFYXZRVSA-N 421.914 5.626 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OCC 408864888 ACVYIBSJQHTMEW-ODLFYWEKSA-N 416.930 5.337 30 40 HKEB COc1cccc(/C=N/c2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)c1 409053450 CTKQVQCRLSEVIM-UFFVCSGVSA-N 415.312 5.245 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc(F)c1 409109834 MKBHBTFVIROCJW-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)C=C(O)[C@H]3n3cncn3)c2)cc1 1390423 AMDZKBBKTDMZPP-GGAORHGYSA-N 403.482 5.108 30 40 HKEB CCn1cc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)n1 2113090 NFDGZRQDTVPKBH-UHFFFAOYSA-N 418.994 5.961 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 4181721 UAYSIFNVDLISKS-CGAIZOBYSA-N 407.561 6.638 30 40 HKEB CC(C)Oc1ccc(/C=C2/S/C(=N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 4613957 HWRJSXIPIUUQDP-JBVZLUBJSA-N 411.571 5.236 30 40 HKEB Clc1cc(/N=C/c2ccccc2OCc2ccccc2)ccc1Br 5603461 OSCHCNVXXYKFCW-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 5772533 FDGJITHWZJLLDK-CVXQDMMISA-N 417.534 5.526 30 40 HKEB Cc1cccc(N/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 5795987 SBWDTYQJQPOKAS-VUTHCHCSSA-N 422.528 6.599 30 40 HKEB COc1ccc(C(=O)COc2ccccc2/C=C/C(=O)c2cc3ccccc3o2)cc1 5836285 CJWBMDXTKNQILJ-NTCAYCPXSA-N 412.441 5.599 30 40 HKEB N#CC1(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CCCCC1 5901533 ZCCJMYACNQPBJO-UHFFFAOYSA-N 416.550 5.178 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 6149620 FABDSMWLMZRMSM-OAQYLSRUSA-N 411.929 5.807 30 40 HKEB N#Cc1cccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1 8428865 WDAVVYBGDIYSLH-UHFFFAOYSA-N 409.514 5.571 30 40 HKEB Clc1ccccc1COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 9195103 DTEXACNZLORHPX-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 18173751 DPNXZWNATNDIKH-UXPNTOHASA-N 423.541 6.533 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1cccc(F)c1)c1ccccc1N2 21722473 GKJGIOCQYGKCSO-XMMPIXPASA-N 404.510 6.068 30 40 HKEB COP(=O)(OC)C(C)(C)C/C(C)=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 98086605 JPQGCSPJMMSQLM-GRSHGNNSSA-N 411.317 5.056 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 105508784 PSKSMIVTVLBWAX-PYCFMQQDSA-N 406.522 6.416 30 40 HKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@@H](C)CC1(C)C 198095838 WOFPFLHRPXAERH-JCJHSNGYSA-N 412.577 7.650 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409073051 URKNFDSIECSLNK-BUVRLJJBSA-N 424.525 6.065 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 409073770 IJRCMWWEKDBBBD-PCLIKHOPSA-N 421.497 6.236 30 40 HKEB O=[N+]([O-])c1cccc(COc2ccccc2/C=N/Nc2ccc(C(F)(F)F)cn2)c1 409097654 NCAWNGGNQRCBES-OPEKNORGSA-N 416.359 5.034 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1 409115700 NOQJXMODEJVLDD-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB CCc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409388018 ZTWGUYGYNNWYKL-AFUMVMLFSA-N 406.551 6.046 30 40 HKEB COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 722087 IVLHKYFOQWHBKG-OGLMXYFKSA-N 421.500 6.006 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC 2055423 LDEOLPVWZUDQMX-QHCPKHFHSA-N 411.542 5.177 30 40 HKEB CCn1c2ccccc2c2cc(/C=N\n3c(-c4ccc(C)cc4)n[nH]c3=S)ccc21 2349717 PSKZKZOLGZSOLP-MYYYXRDXSA-N 411.534 5.926 30 40 HKEB Cc1ccccc1C(=O)Nc1cc(C#N)ccc1Sc1c(Cl)cccc1Cl 4041834 DLTGJICYHXSVRQ-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB O=C(C/C=N/OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 5252651 NOBDUBIDBUSVRV-DNTJNYDQSA-N 401.087 5.531 30 40 HKEB C=CCN/C(S)=C(\C(=O)c1ccc([C@H](C)CC)cc1)[n+]1ccc(C(C)(C)C)cc1 8196399 SSBRZAZYOIAHNJ-GOSISDBHSA-O 409.619 5.500 30 40 HKEB CC/C(=N\N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1 8614503 HESJEUSORFTBEI-KSTNYAOJSA-N 422.164 6.225 30 40 HKEB Cc1sc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c(C#N)c1C 27260697 CPDFPYCPEGCXPZ-UHFFFAOYSA-N 409.898 5.395 30 40 HKEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182437 NEPZRGCKQFLNGT-QFEZKATASA-N 424.500 5.132 30 40 HKEB Cc1ccc(C(=O)c2c(/C=C/C=C/c3ccccc3)oc3cc(C#N)c(C#N)cc23)cc1 66089284 FXEJVCPLWYQSKR-NXZHAISVSA-N 414.464 6.442 30 40 HKEB CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=S)N1c1ccccc1Cl 101377315 PXABEAPOSSYLLI-ZBCDYPQOSA-N 418.050 6.099 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1CC 408560742 OIKXTWGFKRZJMM-UHFFFAOYSA-N 408.999 5.504 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1C 408968727 YGQUTJUWZMWTQO-HAHDFKILSA-N 415.562 5.857 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 409005990 HYLIRCABKSPNIG-JWGURIENSA-N 402.519 5.415 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3c(CC)cccc23)C1=O 409125500 APUIOSSUWRVUCA-BKUYFWCQSA-N 420.509 5.613 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409208072 AQHYUTHMKMYVRP-AFUMVMLFSA-N 424.884 6.285 30 40 HKEB CCn1cccc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409294248 ARGXNZADEYTSMY-UHFFFAOYSA-N 416.868 5.167 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc(F)c1 409308256 WRFXSQPDRASWLL-UHFFFAOYSA-N 417.827 5.484 30 40 HKEB CCCCc1ccc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585295330 VNTXQBNQGJARRY-HXUWFJFHSA-N 423.611 5.895 30 40 HKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cccnc3)CC(=O)O4)C2=O)cc1 1081803585 HFGQYYBQZSKXQS-XLKWYTADSA-N 411.457 5.262 30 40 HKEB COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O 1020925 YWHIPHBTLAMVON-FSJBWODESA-N 422.282 5.457 30 40 HKEB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)o2)c1 1083453 DPGVRKBMNOUKCC-UHFFFAOYSA-N 408.885 6.068 30 40 HKEB CCCCCCCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 1833647 SRNCQJCOUAFOFT-AREMUKBSSA-N 424.654 6.894 30 40 HKEB C=CCn1c(SCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 2273751 BVCSQZXFYHAZCN-MRXNPFEDSA-N 418.672 6.467 30 40 HKEB COc1cc(Br)cc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1O 9934843 QKIXCLDKQMCULU-FSJBWODESA-N 422.282 5.229 30 40 HKEB CC(=O)O/N=C(\C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 12878370 IYRSSYWRXNNHCW-MAUFGBBVSA-N 413.558 5.356 30 40 HKEB biogenic COc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O 13039393 HNLHXGGHKKUNFZ-XOBNHNQQSA-N 422.521 5.607 30 40 HKEB Cc1ccc(S(=O)(=O)NN=C(/C=C\c2ccccc2)/C=C\c2ccccc2)cc1 17024866 NJAOCDOAPINPJG-RYOQUFEFSA-N 402.519 5.056 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3ccccc3S2(=O)=O)c(C)c1 32984273 LGROAIOMPSPUQX-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 35646551 MOBAUEHKXFYLTP-NDENLUEZSA-N 419.462 5.363 30 40 HKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59303174 BBUSCWFDSPHTDM-DHRITJCHSA-N 418.884 5.440 30 40 HKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1C1CCCCC1 100481619 RKAZHZJQAUUZCI-BLFRMDKKSA-N 407.495 5.532 30 40 HKEB CCCCCCCCCCCCCCC/C(=N\OC(=O)NC)c1cc(C)ccc1O 100930291 TVXNHJMGIMNWRO-SLEBQGDGSA-N 418.622 7.242 30 40 HKEB CC(C)(C)c1ccc(C(=O)/N=C2/N=C3C=CC(Cl)=CN3Cc3ccccc32)cc1 102947571 GIJSKBAPJXECNZ-HPNDGRJYSA-N 403.913 5.435 30 40 HKEB Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4C#N)sc3c2)cc1 408750328 LNQROOOCSOVJDV-UHFFFAOYSA-N 415.543 6.021 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 408916401 XBIUBVDAKXYOKH-GVPYCIPCSA-N 406.595 6.697 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(Br)c1 408966557 MDLDEGPYURTENF-YSMPRRRNSA-N 423.398 7.213 30 40 HKEB CCc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409210700 GGNALDLUUJFZPF-WGARJPEWSA-N 414.383 6.719 30 40 HKEB Cc1ccc(OC(=O)c2cccc3ccccc23)c(/C=C2\Sc3ccccc3C2=O)c1 1820530 JRYLQZYJAKYBNJ-XYGWBWBKSA-N 422.505 6.697 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1cccs1 2402705 VXPJBZFKFUCIPZ-YVLHZVERSA-N 417.269 5.890 30 40 HKEB Clc1cc(/N=C/c2cccc(OCc3ccccc3)c2)ccc1Br 2811153 UTBNORDCWJVACC-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB CCCCCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 3670899 GGXSLJIBPXWBFG-WOLZVPSQSA-N 408.538 5.788 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC1(O)CCCCC1 5426252 HNFDWSPXKVDAFY-UHFFFAOYSA-N 406.576 6.136 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 5988412 XQDQYUNJSATFKB-JOCHJYFZSA-N 413.429 5.113 30 40 HKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccc(Cl)c1 9479942 WVTIQMFRDODXQZ-UHFFFAOYSA-N 419.937 5.913 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 12467214 SZHDJIIWZSYFIW-BQNIGPCOSA-N 412.489 5.071 30 40 HKEB CCCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 12681266 GCSXGYFXFDGENW-UHFFFAOYSA-N 410.565 6.559 30 40 HKEB O=c1[nH]c2ccc(/N=C/c3cn(Cc4ccccc4Cl)c4ccccc34)cc2[nH]1 15938849 KIMSZHFMNMIGHI-BRJLIKDPSA-N 400.869 5.263 30 40 HKEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)cc(C)c3O)cc2)c1 16349125 CHXBCPLEKSEMRP-ZMOGYAJESA-N 423.310 5.774 30 40 HKEB CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(/C(=N/O)c3ccccc3)cc1)=NO2 17241545 NVCYUNMMNBNLNT-DHJMZRGKSA-N 411.505 5.162 30 40 HKEB COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 20762904 PLAAKZNQVFMRME-DHRITJCHSA-N 415.320 5.705 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=N/c1ccc(/N=C2/C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100365490 SCDLLHGZJNONCR-YAKFOJKPSA-N 404.554 5.882 30 40 HKEB Oc1ccccc1/C=N/c1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 100484405 KANRPJPZWOKNOC-SIQCSVOGSA-N 407.557 6.932 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 102618851 QUUOEWIDBZYERS-MRJHHRETSA-N 403.865 5.275 30 40 HKEB Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408846335 ISZHLHOLWYPPBX-WGARJPEWSA-N 412.445 5.394 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408910329 KADARTFPBHJXGQ-QMSJJHEMSA-N 424.566 5.662 30 40 HKEB Clc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(Cl)c1 408978605 NBSQQLLESNNWSM-DHRITJCHSA-N 415.389 7.915 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1C(C)C 409213655 QDNPFPBGIZNFPJ-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB S=C(N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 1682568 SKCDBPJQYUHJFC-BPYXDGQXSA-N 420.152 5.132 30 40 HKEB N#C[C@](CC(=O)O)(C(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 2037084 SSSHKGVGRLLUNR-SANMLTNESA-N 409.441 5.194 30 40 HKEB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4073977 RUVUHIUYGJBLGI-XJZKHKOHSA-N 412.702 8.233 30 40 HKEB endogenous,in-man CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(CC)cc2)C1=O 4671625 ZSRPYQBDSVREJM-AQTBWJFISA-N 413.926 5.446 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4cccc(O)c4)c3c2C1 4679276 KETZZCMRQKCPNM-JOBSNELWSA-N 408.571 5.774 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2ccccc2Cl)o1 5543119 JUNGSLVPVISWEU-PKNBQFBNSA-N 409.268 7.410 30 40 HKEB N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 9056723 LHWHWKDBFBCIJJ-UHFFFAOYSA-N 418.283 6.333 30 40 HKEB Fc1ccc(/C=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 12936257 LOMOIMCHDBFEEE-IRESZABISA-N 407.901 5.933 30 40 HKEB O=C(Oc1ccc(/C=N\c2ccc3c4c(cccc24)CC3)cc1)c1ccccc1Cl 16449421 JQCFENOYXYXETN-NTFVMDSBSA-N 411.888 6.562 30 40 HKEB CC(C)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 18196492 BJKFKNHWUCQUPE-KXBFYZLASA-N 405.523 5.258 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 18197318 ZWFIJMCBLKBUTP-ADLMAVQZSA-N 417.321 5.062 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3cccc(C)c3C)nc2c1 35292340 QNHQJKCCZUSXRO-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB Cc1ccc2c(c1)/C(=N\Nc1nc(-c3ccc(Cl)cc3)c3ccccc3n1)C(=O)N2 46085357 ATOIOKSJELNKAW-UHFFFAOYSA-N 413.868 5.027 30 40 HKEB CCCCCCCCc1ccc(/N=[N+](\[O-])c2ccc(CCCCCCCC)cc2)cc1 100224725 OFYPIEJDOXRDDB-FLWNBWAVSA-N 422.657 9.418 30 40 HKEB O=C1/C(=N/c2ccc(Cl)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl 100397421 PCMLDZIFBZVLKA-LKUDQCMESA-N 415.707 6.314 30 40 HKEB COc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 101510527 CDWMHMJARWVYLT-SDNWHVSQSA-N 410.560 5.632 30 40 HKEB Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408587991 AVMXSTJZJMNGBK-KSEXSDGBSA-N 418.280 5.860 30 40 HKEB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C#N)cc2)cc1 408783984 PXRCMALUZASKCI-KGENOOAVSA-N 407.429 5.246 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Br)cc1 408785390 ZAUKMQZEHHVNDF-JJFYIABZSA-N 403.707 5.966 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl 408819058 ZTBGSNQGNFFUJE-QFEZKATASA-N 408.885 5.425 30 40 HKEB C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Br)cc1 408846793 KYZQJSIHQMMMPD-UHFFFAOYSA-N 410.105 5.332 30 40 HKEB CC(=O)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408859445 XMXOCLIJOKQSRX-MYYYXRDXSA-N 418.518 5.555 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(F)c1 409212828 QXTNYUYIOJUPQK-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB O=C(c1ccc(OC(F)(F)F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2556126 FZZLGZXGXJBXQS-UHFFFAOYSA-N 402.212 5.854 30 40 HKEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 4740374 NSTPWNKRFTUNNG-CXYGBTOJSA-N 416.443 5.857 30 40 HKEB C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 4822569 LTKJZDQJFVWZBZ-OAHLLOKOSA-N 404.645 5.933 30 40 HKEB O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1OCc1ccccc1 5279060 BEFDTACMNUYZGV-XYOKQWHBSA-N 400.371 6.320 30 40 HKEB CCn1nc(C)c(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C 6490010 MLKUQGRBKYSZFA-OTRLMQBBSA-N 418.585 5.557 30 40 HKEB CC[C@H]1CN=C(Nc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)S1 6551446 DSHLNDOERYRIEK-GOOYREHVSA-N 412.558 6.543 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12985874 MLDSKMWAOYRYOU-SDNWHVSQSA-N 400.459 5.060 30 40 HKEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 59105749 UYKPIDMCUXQGMF-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 96346040 FFYTWMVGFRVTQF-RTBURBONSA-N 410.477 5.343 30 40 HKEB CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1c1ccccc1 104326547 XVFOGNNDUHBDIT-VAWYXSNFSA-N 410.690 8.721 30 40 HKEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648807 JOGBRAHGGVSYDK-UHFFFAOYSA-N 419.852 5.057 30 40 HKEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)cc1Cl 253569653 MPNWXVHIZXURMZ-DNTJNYDQSA-N 419.102 5.542 30 40 HKEB Cc1cc(/C=N/c2ccc(C(=O)O)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967254 POROZAVDACTCID-VULFUBBASA-N 408.929 6.494 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1 409213577 PWBKAUULPPDVIU-YZSQISJMSA-N 402.494 5.416 30 40 HKEB Cc1ccccc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409282380 OIZRUBOHSIFGBY-UHFFFAOYSA-N 407.395 5.273 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)cc1OC 409381848 WOJFTNMJBFQLEI-AXNZHVIBSA-N 423.940 7.377 30 40 HKEB C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2cccc(Cl)c2)S1 851677 MIKBGABRKZFYTP-CFLRLNCXSA-N 413.852 6.016 30 40 HKEB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccco3)c2C#N)cc1 1513583 JPFYHWGTYWYCAI-UHFFFAOYSA-N 410.498 6.164 30 40 HKEB CCCCCCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 1902472 QKSMULQWSTYCKG-UHFFFAOYSA-N 416.363 6.087 30 40 HKEB CC(C)Oc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 5012101 UBYLNJGLVULAMB-DHZHZOJOSA-N 411.841 6.192 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OC 5715937 UCBYSSAAQQJMIC-LSCVHKIXSA-N 417.292 5.373 30 40 HKEB CCCCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 6274000 SIVHQPOUCXNTGM-NJRDNMGOSA-N 407.583 5.317 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1[N+](=O)[O-] 9075877 LDFAESWBFQNWBF-DJOYVXLESA-N 423.494 5.150 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 9427223 NDFLGRNMPRZZOX-JOCHJYFZSA-N 424.331 6.187 30 40 HKEB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1(C#N)CCCCC1 12523337 KAJIAPBFQYXVBA-KRWDZBQOSA-N 418.566 5.030 30 40 HKEB CC(C)Sc1nc2sccn2c1/C=N/OCc1c(Cl)cccc1Cl 12856545 QDBQEORXDCBNDH-UFWORHAWSA-N 400.356 5.754 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC 13148951 VMEISCFYQKLPKC-BJMVGYQFSA-N 420.259 5.051 30 40 HKEB O=c1cc(/C(O)=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc2[nH]1 13930279 UCULTDXQJVCRND-UHFFFAOYSA-N 416.289 5.595 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)n3c(nc4ccccc43)c2C#N)cc1OC 15910916 KBOWJDQTBUNILX-UHFFFAOYSA-N 405.457 5.710 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3cc([N+](=O)[O-])ccc3O)C2=C(O)C1 18033658 PGOFXCMLMHGXNF-IBGZPJMESA-N 416.433 5.078 30 40 HKEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)o2)cc1 27562701 FCPLJLMKORRQJO-JOCHJYFZSA-N 420.944 5.814 30 40 HKEB N#CCOc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 84393524 DRJMBYCQQMLNDP-IBGZPJMESA-N 403.404 5.367 30 40 HKEB CCCCCCCCCCCCCCCCCCC1=CC(=O)c2ccccc2C1=O 100307888 OVFBAFHCHZKLRO-UHFFFAOYSA-N 410.642 8.644 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 104245872 SCEWWQNZOFNUMW-LDVJMBRRSA-N 405.623 6.107 30 40 HKEB Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1C1CCCCC1 408741187 OHWCBXZQPOTBQO-FYJGNVAPSA-N 406.311 5.965 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1cc(C)ccc1C 408911109 YOSAWGDGCVPILN-WRIATZMJSA-N 422.594 6.368 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 409088479 FQRCLVRUYMRFGP-WGARJPEWSA-N 424.382 6.682 30 40 HKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2occc2C)cc1C(C)C 409279018 GEDCSUMDDMXFON-UHFFFAOYSA-N 415.493 5.288 30 40 HKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccccc1C#N 409302075 HJIALKWSNLSWDU-OYKKKHCWSA-N 413.498 5.865 30 40 HKEB COC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N 679114 HZPJAIDLNKNKAV-UHFFFAOYSA-N 424.909 5.214 30 40 HKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2cccc(Cl)c2)S1 2217403 ADXKJVFEBHGUQE-MNAVYHJGSA-N 414.745 6.304 30 40 HKEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(Cl)cc1 4107875 LKTQVTCWNPDUBY-RVHOYEEFSA-N 422.362 5.597 30 40 HKEB C=C(C)[C@@H]1CCC(C)=C1CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4853108 KWHDXJIYRZOLLK-SFHVURJKSA-N 402.447 5.379 30 40 HKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(Br)cc3)cs1)C2 5425873 YALZLCZKTACCIE-BLZGRBQHSA-N 404.377 6.187 30 40 HKEB COc1ccc(/N=C2/S/C(=C\c3ccccc3F)C(=O)N2C2CCCCC2)cc1 8664811 JSHYBQMTTZEUIT-VLYZUMCXSA-N 410.514 5.771 30 40 HKEB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N/N=C/c3ccc(Cl)cc3)nc2n1 8781667 OGIRQQKTHXKIKR-ZNLRHDTNSA-N 418.728 5.767 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCCC)cc1 13634780 KVHCGCLNOIKKDI-HSZRJFAPSA-N 417.509 5.233 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3ccnc4ccccc34)nc3ccccc23)cc1 46085387 XYAXOFWENMEDBJ-JFLMPSFJSA-N 409.880 5.944 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 59484213 DDPCBNVYPFSWIQ-MFKUBSTISA-N 419.937 6.585 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 59678390 HQBKANOXMCODRI-PDGQHHTCSA-N 414.317 5.676 30 40 HKEB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C(=O)C=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 79669733 VBJZKTOFAFJBGM-GONHYWAXSA-N 424.713 8.089 30 40 HKEB O=C(CSc1nc2ccc(/N=C/c3ccccc3)cc2s1)c1ccc(F)cc1 100411795 WMSSBHPZKLPXLV-ZMOGYAJESA-N 406.507 6.161 30 40 HKEB CCCCCCCCCCCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 102999427 WLSAKSFLTUSNLC-VWLOTQADSA-N 418.581 6.544 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O)C[C@@H]1O 255986597 LWQQLNNNIPYSNX-WAYFIARCSA-N 412.614 5.091 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408982263 CZDLSWWWGDLYEQ-AQTBWJFISA-N 424.283 5.917 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1 409213824 VSSPRQXCBQTYJF-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 409233128 QRLNWLLZXNPBJW-YZSQISJMSA-N 422.912 5.728 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 826436 FNOMZLZWERJEEM-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 856589 QBSJFKJZZFWLNK-MWTRTKDXSA-N 406.938 6.381 30 40 HKEB COc1cc(OC)c(/C=N/c2ccc(Nc3ccccc3)cc2)cc1Br 1087252 RKGRZCSEBRYPQQ-OEAKJJBVSA-N 411.299 5.961 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C(C)=O)cc1 2186184 CPHOUSNDEFIQKX-BEIQUOEZSA-N 421.547 5.049 30 40 HKEB CCCCCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 2291447 CVXPLURGWJDFSO-UHFFFAOYSA-N 424.516 5.849 30 40 HKEB CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@H](C(C)(C)C)CC2 2299305 JIQQZJDVBCLZBX-CQSZACIVSA-N 414.596 5.488 30 40 HKEB Clc1ccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(Cl)c1 3084466 NXADLVDOBWJQQG-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(F)cc4)c3c2C1 4616140 BBUODEPHMUFXIQ-JZNDDVEWSA-N 410.562 6.208 30 40 HKEB Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 4863049 XHBDJWILCRUGPU-WSDLNYQXSA-N 407.271 5.407 30 40 HKEB COc1ccc2nc(/C=C/c3ccccc3)cc(N/N=C/c3ccc(N(C)C)cc3)c2c1 5248105 OPLJPCSZVAADSJ-CCNGYCBBSA-N 422.532 5.926 30 40 HKEB Cc1cc(C)cc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(Br)cc2)c1 8008227 VUVYJXPVPQXYJF-CQSZACIVSA-N 413.344 5.318 30 40 HKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 10118737 ZDRIYTWRXQHPQO-VULFUBBASA-N 415.320 5.705 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)OCO3)cs1)c1cccc(C)c1C 14184517 DYSRWPSLQMMXHM-CMDGGOBGSA-N 420.490 5.069 30 40 HKEB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 17094099 YEGQQMRYRACXSL-QGZVFWFLSA-N 424.610 6.220 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2 18196294 RHXYBJSTRBUQKK-MGNBDDOMSA-N 417.321 5.062 30 40 HKEB C=CCn1c(-c2ccccc2)c(NC(=O)OCC)s/c1=N\c1ccc(OCC)cc1 27015718 UOWXNQNPQGKOCZ-GYHWCHFESA-N 423.538 5.602 30 40 HKEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1cccc(Cl)c1 35316938 JBIBHSTXVBJSKU-ROBRVMHZSA-N 413.955 5.622 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccn1 36627035 CZYDYQZKGNADRJ-UHFFFAOYSA-N 407.498 5.657 30 40 HKEB O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCCOc1ccc2ccccc2c1 46084875 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O=C(OCC#CCSc1nc2ccccc2o1)c1sc2ccccc2c1Cl 2364135 YJERXRNRTHIMLZ-UHFFFAOYSA-N 413.907 5.648 30 40 HKEB COc1ccc(C(=O)/C=C/Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2573065 GEJXSURWPRDZRG-VOTSOKGWSA-N 406.347 6.222 30 40 HKEB C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1 3288341 LRKGKRKKRHYLMY-UHFFFAOYSA-N 403.507 5.147 30 40 HKEB CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 4077669 JRIFTFAFJBMMON-RBISFHTESA-N 408.545 6.790 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 4695170 KOUDWOTXEHGUGT-LDADJPATSA-N 415.898 5.150 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc([C@H](C)CC)cc2)CC1=O 4910283 FQOLFFWWMQNTQZ-CTNGQTDRSA-N 417.553 5.131 30 40 HKEB CCC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 4950200 BNWQSZWWORIXED-CQSZACIVSA-N 406.555 5.743 30 40 HKEB C=CCN(C(=O)COc1ccccc1-c1ccccc1)c1nc2c(s1)CCCC2 6309941 UEPBYUXTQYBKOK-UHFFFAOYSA-N 404.535 5.287 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 6962342 LUPIBFJQAHSARY-MFKUBSTISA-N 413.502 5.784 30 40 HKEB Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)NC1CCCCC1)CCCC3)OCO2 17167039 YFDUYZFYLBOJKR-DHRITJCHSA-N 424.566 5.477 30 40 HKEB Clc1ccc(-c2sc(N/N=C/C=C/c3ccccc3)nc2-c2ccccc2)cc1 34804810 QUALKCAQKLQWLP-LGFPMUJSSA-N 415.949 7.242 30 40 HKEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611388 WIBUYHNMTHBLKB-AWQFTUOYSA-N 411.314 5.060 30 40 HKEB CC1(C)CC2=C(/C(=N\Nc3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])O2 100761026 ZZURGLVLOGGSOR-PNUJLQCPSA-N 411.889 5.599 30 40 HKEB CCCCCCCC(CCCCCCC)NC[C@H](C)OC(=O)c1ccc(N)cc1 104098663 ZYUISRACNUIUAJ-NRFANRHFSA-N 404.639 6.493 30 40 HKEB Cc1nn(C)c(C)c1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 105262422 QQBKZPLGKBYNRX-OZOVDZOFSA-N 404.558 5.074 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 408588288 IUTPBKQSUSDISD-FSJBWODESA-N 410.930 5.812 30 40 HKEB C=CCc1cc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1OC 408705778 NFBIIWRCDLORIA-UHFFFAOYSA-N 410.366 5.394 30 40 HKEB Cc1ccc(C)c(/N=C\c2cc(Br)c(I)o2)c1 408850944 GWEDEUGVLTVCGM-APSNUPSMSA-N 404.045 5.014 30 40 HKEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1C 408929498 KFMPHMNVBDMFQI-HLTANSAUSA-N 401.535 5.293 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F 409070685 DOEOKZLKASWNII-CVKSISIWSA-N 420.440 5.801 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1 409086706 ARDCENDAUSLZQS-PRMAFZJDSA-N 412.942 5.919 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC 409212196 NVRNWEGFWDTSHS-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB CC(C)/N=C1\S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1C(C)C 409215689 DNQSLICTXFZVMD-SRZVYZJRSA-N 421.488 5.585 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 2591907 URAKOQKJCQXFHJ-LICLKQGHSA-N 405.903 5.450 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C\c4ccc(OCc5ccccc5)cc4)c3)nc12 4401889 ASEOVCZPZJBRAE-MIXAMLLLSA-N 418.496 7.133 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1c(F)cccc1Cl 5190626 GCHDAQVOSYMNLW-FQEVSTJZSA-N 405.300 6.354 30 40 HKEB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1 5201319 BUSCTVFLVZSEQK-UQRBVYKBSA-N 416.502 5.512 30 40 HKEB Cc1ccc(-n2c(S[C@@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1C 6831105 BAICESALDTVMEW-HSZRJFAPSA-N 410.546 5.778 30 40 HKEB Cn1c(-c2ccccc2)c(/C=N/Nc2ccnc3cc(Cl)ccc23)c2ccccc21 7982585 HPXXKNABZRWSTG-LQKURTRISA-N 410.908 6.493 30 40 HKEB Cc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2Cl)cc1 8782165 URVZAUPGGVORAB-FOKLQQMPSA-N 416.333 6.229 30 40 HKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1 9264205 WZYWPCGPUMXVGC-VWLOTQADSA-N 400.478 5.469 30 40 HKEB N#CN=C(SCC(=O)c1ccc(Cl)cc1)SCC(=O)c1ccc(Cl)cc1 16400708 TVAGMHRZSUPPCX-UHFFFAOYSA-N 423.346 5.362 30 40 HKEB CC(C)(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19807847 PADTVFHGIZZMAR-ZTKZIYFRSA-N 409.577 5.706 30 40 HKEB Cc1ccc(-c2nc(C#N)c(N/N=C/c3ccc(-c4ccccc4Cl)o3)o2)cc1 27024615 BCCSAXFJCZBAPP-DHRITJCHSA-N 402.841 5.881 30 40 HKEB CCN1/C(=C/C(=O)/C=C/C=C2/N(C)c3ccccc3C2(C)C)Sc2ccccc21 36294099 VJXMPGITMDJSNF-KWNHFAPVSA-N 402.563 5.897 30 40 HKEB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N/Nc3ccc(Cl)cc3)c2)n1 91695231 UZJROELRVBLJQU-LGJNPRDNSA-N 418.850 5.933 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O 100088492 BJYLYJCXYAMOFT-TZGGOSDNSA-N 416.646 5.561 30 40 HKEB C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118935306 WJHSEWONWLVSGI-CSHQKTAISA-N 402.575 5.305 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)c1 408720869 GNTIOTIRDVLOLH-KEBDBYFISA-N 411.215 5.016 30 40 HKEB COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O 408723047 PUSAVHPAQKOCNT-MFKUBSTISA-N 400.503 6.250 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC)c(Cl)c3)S2)cc1 408773158 TUASRBLJEFZBQZ-PDGQHHTCSA-N 402.903 5.029 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccccc1OCC#N 408816509 LOGICBDXKMPXBG-AREMUKBSSA-N 408.501 6.052 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 408854753 ARIYAAMMXNZKTI-UHFFFAOYSA-N 402.877 5.998 30 40 HKEB Cc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c(Br)c1 408859381 WPRQEPZXEDRZLW-CFRMEGHHSA-N 424.294 5.785 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(F)cc1 409114727 KZMWPAZNMPUPMK-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB CC(C)(C)COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409303014 GIWVRZXAVIJZET-UHFFFAOYSA-N 417.553 5.751 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(OC)c(Cl)c3)c3ccccc32)o1 409389581 CCKYEORAJLNSOP-BRJLIKDPSA-N 422.868 5.482 30 40 HKEB O=C(c1cc(Cl)cc(F)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243048 VKABNEQCICBFKU-UHFFFAOYSA-N 411.022 5.783 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 994643 CYBYBCTVEVQLQK-GFCCVEGCSA-N 417.918 5.585 30 40 HKEB C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1sc2nc3ccccc3n2c1C 4024097 VVBKESQNPHWIPQ-FOKLQQMPSA-N 404.322 6.105 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 5527075 JCTNEVXAUVWPEL-BGEKPKEUSA-N 401.462 5.069 30 40 HKEB CCOc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)c1C#N 5657126 QMQQLEZDDRXHCJ-UHFFFAOYSA-N 413.702 6.102 30 40 HKEB Cc1cccc(/N=C2\S[C@H](C)CN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 7786045 GNUJPQPBBMRVLR-WPCLWYOGSA-N 410.926 6.174 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 8132716 PXYDBIAHSCTWFF-HRCADAONSA-N 418.994 5.055 30 40 HKEB Cc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 9196075 IYLBENHJVQKTEX-UVHMKAGCSA-N 422.359 6.429 30 40 HKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1c(F)cccc1Cl 14122557 ZMKASOOMUSAINH-UHFFFAOYSA-N 403.910 5.436 30 40 HKEB COc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 17086097 TVFSUDNKVPQOFN-RGVLZGJSSA-N 402.317 5.336 30 40 HKEB Cc1cc(Cl)ccc1/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 17299713 UVIGLEGOWPDRQO-DHDCSXOGSA-N 407.720 5.303 30 40 HKEB Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c23)cc1 23406336 QVARCNAFGGSLHG-MRXNPFEDSA-N 410.568 5.044 30 40 HKEB O=[N+]([O-])c1ccc(/C=N\Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 33906589 HHNZRANTXJYIIH-MYYYXRDXSA-N 413.412 5.304 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(C)cc3C)c(C)c2s1 72228803 LLOBTCVENQLFSI-UHFFFAOYSA-N 410.543 5.355 30 40 HKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97953972 CRWGGUSROAWWOL-QFIPXVFZSA-N 417.597 6.616 30 40 HKEB CCCCCCCCCCCC[C@@H]1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O 100080314 SAEZGDDJKSBNPT-OAQYLSRUSA-N 420.682 6.324 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccccc2F)c1 100145051 JPOLKQCWAATQLF-DKUDOZJNSA-N 413.448 5.317 30 40 HKEB CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 217228065 CONOXECQMYAHHA-MRXNPFEDSA-N 421.522 5.394 30 40 HKEB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253528841 GQZPOAUVKZAMQR-IJCXZKDTSA-N 406.610 7.081 30 40 HKEB N#Cc1c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2c1CCCC2 408740563 LNWPZAZZZMZXFO-AFUMVMLFSA-N 417.490 5.736 30 40 HKEB Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccccc4F)NC3=O)cc2)c1 408843366 FAHDXCMMCLEPFR-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Br)c3O)S2)cc1 408964048 FJIGYLJUUNLBGA-VGOFMYFVSA-N 423.719 5.008 30 40 HKEB Cc1cccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)c1 408996135 OGEUEDPZBSFZFT-TWKHWXDSSA-N 415.540 7.170 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 409208134 BFDCQUHQNFDAGT-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 409214624 WNNGZODCRCOLLY-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O 3169525 WVWVELLRDDOGRE-CVKSISIWSA-N 400.478 6.257 30 40 HKEB Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1 4739371 GMRNHMVUEPVTES-MFKUBSTISA-N 409.371 6.905 30 40 HKEB N#CCC(=O)Nc1ccc(C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 8128627 MNGBRSXGILXOEE-DEOSSOPVSA-N 411.505 5.033 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C\C=C\c4ccccc4[N+](=O)[O-])ccc3O)nc2c1 15134334 KYZDJPKHSCBOIB-MOUPJVKVSA-N 413.433 6.087 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 19920793 AEGWNFCSWFHYIA-QFIPXVFZSA-N 408.461 5.097 30 40 HKEB C=CCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nc2ccsc2c1=O 26117820 FUVZRYHVHQUZPG-UHFFFAOYSA-N 415.927 5.245 30 40 HKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611354 AFAFRWKZHBMFOZ-ZVBGSRNCSA-N 412.849 5.035 30 40 HKEB C/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1C 59104756 BUXRWQWDCSPDCA-TZUUXVJYSA-N 407.322 5.104 30 40 HKEB O=C(Oc1ccccc1/C=N/Nc1nc2ccccc2s1)c1ccc(Cl)cc1 59194473 VGCBNMMSLCXLAE-YDZHTSKRSA-N 407.882 5.615 30 40 HKEB CCCCCCCCCCCCCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100511592 AIIJNDALIRROQW-FCDQGJHFSA-N 420.554 7.382 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1OC 102595708 LAAZWXRNJIEGKN-HOGKFDNTSA-N 407.510 5.006 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](C#N)CC[C@]5(C)[C@H]3CC[C@@]21C 118940092 DCHRLKUKWOETLV-UUGLMTBLSA-N 411.674 7.379 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)o1 135751492 QXWWGTZGRGTIGM-RCRSJKOXSA-N 411.464 5.038 30 40 HKEB Cc1cccc(COc2ccc3ccccc3c2/C=N\Nc2ccc([N+](=O)[O-])cc2)c1 408913972 WOWLYIPUPWXVPC-QQXSKIMKSA-N 411.461 6.081 30 40 HKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 409100744 WPRVCULONRJNBW-WGOQTCKBSA-N 416.864 6.372 30 40 HKEB Cc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1C 409169076 OOQKEICPLWMQOH-ZOSJBBHMSA-N 403.551 6.073 30 40 HKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)O 409202377 SDHGWEQDPWMBES-WPWMEQJKSA-N 409.489 6.287 30 40 HKEB CC(C)Oc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409303960 PEMPQXNMTJXFMF-UHFFFAOYSA-N 423.472 5.479 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2C)c1O 2756040 QZKWWILTSGATFE-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O 3085173 FPGADSZAEDDUGD-FOKLQQMPSA-N 407.357 5.007 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@H]2c2ccc(C)cc2)cc1 5617817 XJMKIAPMRVSEDQ-MIHXGWCRSA-N 403.453 5.508 30 40 HKEB C=CCc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O 6275847 ACMZOUSSQPMXNT-DEOSSOPVSA-N 402.538 5.959 30 40 HKEB O=[N+]([O-])c1ccccc1N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 6399532 XQDACJIRIIEQRA-LGUFXXKBSA-N 408.461 6.511 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1cn(-c2ccccc2)nc1-c1cccs1 6476091 ZAIOTZRSWLYGKL-LPYMAVHISA-N 401.520 5.657 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)c12 8229813 IMFDRDWENLLCNI-PKNBQFBNSA-N 410.304 5.986 30 40 HKEB Oc1c(/C=N/c2ccc(Br)cn2)cc(Br)c2ccccc12 13618376 ULWORVHIXOCNIA-UFWORHAWSA-N 406.077 5.216 30 40 HKEB COc1ccccc1N/C(O)=N/c1c(NC2CCCCC2)c2ccccc2oc1=O 28048637 FDNYNDGMNHGJLI-UHFFFAOYSA-N 407.470 5.204 30 40 HKEB Brc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 59463559 TZZBDXOYOWROAD-BUVRLJJBSA-N 419.347 6.990 30 40 HKEB CN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118930571 FLTRILBCYUFBEW-MBJTYVNUSA-N 405.582 5.509 30 40 HKEB C=C(C)COc1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 219779447 YNUGESMDOBPZBN-UHFFFAOYSA-N 410.366 5.612 30 40 HKEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623338 VZQXPYFONQUVPI-UHFFFAOYSA-N 420.745 5.345 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764567 NGWHJQCYIGWUMS-QGZVFWFLSA-N 410.945 6.230 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)S2)cc1 408600296 BFIYIZZWHLVNKU-ODLFYWEKSA-N 412.417 5.125 30 40 HKEB C=CCn1cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)c2ccccc21 408949328 BAEVVMKTTQPYKQ-KGENOOAVSA-N 403.507 5.118 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2)o1 408960313 DRSPQIZIOOZCQI-GZTJUZNOSA-N 415.301 6.145 30 40 HKEB O=C1/C(=C\C=C\c2ccccc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 408980939 GRCQARBZLDXPFY-BNRAFYPCSA-N 410.542 5.916 30 40 HKEB Cc1cccc(Cn2cc(-c3c(-c4ccccc4)cnc(N)c3C#N)c3ccccc32)c1 408982833 ZIMVFDSRPIBZEU-UHFFFAOYSA-N 414.512 6.181 30 40 HKEB N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)Nc3ccccc32)cc1Cl 409115344 RIIQTHRNNWJDEQ-NVMNQCDNSA-N 421.283 5.937 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409209948 JVJRICWBIWTRMQ-VAEOAHNZSA-N 424.610 6.707 30 40 HKEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F 2801340 PGSXCMLQDMJNHZ-IBGZPJMESA-N 419.443 5.039 30 40 HKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 3098469 PRDICNPAULXAFH-HXUWFJFHSA-N 420.336 5.447 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(Br)cc2)c(O)c1Br 3114319 DGBUEJFQRLUONC-FBCYGCLPSA-N 417.528 5.938 30 40 HKEB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 3990209 CXFWTZCBJDCDLL-OAQYLSRUSA-N 410.876 5.086 30 40 HKEB CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4044540 DMUATNJCNZILTN-SANMLTNESA-N 424.588 6.887 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc(Cl)cc3)cc2)cc1 5418899 LQBDNIAFEFTHHV-OVVQPSECSA-N 421.924 6.879 30 40 HKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3c(C)cc(O)cc3O2)N1 6167616 UPCQMQBWSIQPAJ-CYFREDJKSA-N 408.567 5.358 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 6505210 WSVJPXMFSPUPOG-AWQFTUOYSA-N 413.153 5.305 30 40 HKEB CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 8448967 GPSABZLBWRGMMM-UHFFFAOYSA-N 413.558 5.913 30 40 HKEB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1 8721709 YJPOZXUSBPQLTH-CSKARUKUSA-N 421.212 6.624 30 40 HKEB COC(=O)c1ccccc1Sc1nccc(-c2cccc(C(F)(F)F)c2)c1C#N 8873864 PXGYXRSCSFMPBD-UHFFFAOYSA-N 414.408 5.577 30 40 HKEB Cc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 15228241 NTWDKXZGABLEBV-LSFURLLWSA-N 416.337 5.067 30 40 HKEB CCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc2cc(Cl)c(Cl)cc23)c(C)c1 16678174 RPAPGZUQMOVJNP-HIXSDJFHSA-N 414.340 5.856 30 40 HKEB C=CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 16681479 MUUQQTORZCIWLK-UHFFFAOYSA-N 411.929 5.338 30 40 HKEB CCCCCC(=O)/C=C\C[C@@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] 16998540 AEBLDRQVETTYBH-IDPHYCSZSA-N 410.555 5.217 30 40 HKEB CSc1ccc(/C=C2/CN(C(C)C)C/C(=C\c3ccc(SC)cc3)C2=O)cc1 72408125 GLKXYZIVFBFNNJ-IWXNDQKYSA-N 409.620 5.891 30 40 HKEB CCCCCCCCCCOc1ccc(C=O)cc1OCCCCCCCCCC 95730997 MKLNWOUQGKEWBQ-UHFFFAOYSA-N 418.662 8.538 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(C)cc3)c2C#N)C1 408583100 RNPZYDGNGGQYEE-MRXNPFEDSA-N 412.624 6.200 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N1CC 408771367 FYBXFABYFPFOJT-YVADOFBFSA-N 409.599 5.704 30 40 HKEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(F)cc1 408934581 LYKRCQLIFNJEHF-WKIKZPBSSA-N 418.390 5.878 30 40 HKEB C#CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 409045300 IKYUGZMPWXYMJC-MHWRWJLKSA-N 421.422 5.115 30 40 HKEB CCCN1C(=O)/C(=C/c2cccc(OC)c2OC)S/C1=N/c1ccc(Cl)cc1 409082368 JAYAOLJADRSBDL-ZIARRYFKSA-N 416.930 5.371 30 40 HKEB CCCCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OCCCC 5298478 NAMBJCHNETWBCH-DHZHZOJOSA-N 421.364 7.247 30 40 HKEB biogenic,in-vitro O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(Cl)cc1 8821142 YSDBNYHTEFBRGJ-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB O=C(/C=C/c1ccc2ccccc2n1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 9087093 QSSHRWGBPLWJRZ-WUKNDPDISA-N 402.453 5.639 30 40 HKEB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 9323306 JPKWMEXFYOXGSM-CIAFOILYSA-N 400.459 5.363 30 40 HKEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)c1 11868883 AMQQMZJBCIIFOP-MTJSOVHGSA-N 424.811 5.323 30 40 HKEB CC/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccc(Br)cc1 12660979 DPAPWJTUBGQWQP-LDYSMASRSA-N 414.372 5.399 30 40 HKEB N#Cc1c(NC(=O)c2cc3ccccc3o2)sc2c1CCN(Cc1ccccc1)C2 22905017 DIIWFRSTFDYOIL-UHFFFAOYSA-N 413.502 5.177 30 40 HKEB CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 36614428 IATLNWYXDOFXTO-MSQPAMCTSA-N 404.554 5.339 30 40 HKEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCCCC2)c1O 66339468 SLMNBKSSSDTZDT-NLRVBDNBSA-N 415.493 5.632 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3cccc(C)c3C)c(C)c2s1 72228796 XVMZIAYQEFGNRB-YSMPRRRNSA-N 424.570 5.745 30 40 HKEB CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)OC(C)(C)C 77273765 MCEGFLZHNLEUFR-LEWJYISDSA-N 401.632 5.714 30 40 HKEB in-vitro CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C(C)C)cc1 100284794 LYGZYFDXUJJAAW-UHFFFAOYSA-N 415.706 8.688 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl 102532969 ARTVREJYTRZPIQ-JBCNATCCSA-N 403.865 5.275 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)o1 408541038 DIKBPPIBFUZGOG-FOKLQQMPSA-N 423.266 5.494 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)o1 408545405 YOIDYHOYSMFOMB-KSEXSDGBSA-N 423.266 5.494 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 408753466 ACMJIORDOTWJRG-MOSHPQCFSA-N 418.474 5.099 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409199116 BFMXIMMCTDSESU-DHRITJCHSA-N 424.884 6.203 30 40 HKEB O=C1C2=C(c3ccccc31)[C@H]1c3ccccc3C(=O)[C@@]1(c1ccccc1)c1ccccc12 1701943 OCZDUWQNWOTEFF-OFSOJUDTSA-N 410.472 6.074 30 40 HKEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4600575 MAMIMSMJZRPYIB-UHFFFAOYSA-N 412.316 6.553 30 40 HKEB CC(C)(C)[C@]1(C#N)C(=O)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 5431107 KETOOGQDPNKANE-VWLOTQADSA-N 412.920 6.167 30 40 HKEB C(=N/Nc1ccc2ccccc2n1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1 6346322 UHTNOQJZOCSDIU-XHLNEMQHSA-N 414.512 7.151 30 40 HKEB Brc1ccc(-c2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)o2)cc1 12377002 VDHNZDKLEKVSHZ-WSDLNYQXSA-N 424.323 6.279 30 40 HKEB C=CCn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 32754535 UGGQBYWJEIGZJI-UHFFFAOYSA-N 421.526 5.364 30 40 HKEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1C 59679053 QHKGDEOZWLNUGB-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 98001353 FBDVUYQVSZTYLO-UHFFFAOYSA-N 400.950 6.672 30 40 HKEB biogenic C=CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100042947 GPVGUNIIVWJTLK-UHFFFAOYSA-N 404.166 5.318 30 40 HKEB CC(C)CCN(CCC(C)C)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 102941026 FTUJRBNVIYFXCA-QURGRASLSA-N 406.617 5.278 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 111087698 NKPCGAOAWVPOES-QKKPJAJESA-N 417.509 5.632 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(-c4ccc(F)cc4F)o3)c2C#N)C1 408602450 NZDUHVHFDGCXJF-SQOYCZJHSA-N 424.516 7.060 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C 408845182 LMJLIWZYPUIQCL-AFUMVMLFSA-N 409.371 6.786 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 408911611 KKBXMBMUCNJEES-QJXUHGPASA-N 419.377 6.704 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC 408939093 LSPDPMMRJBHDNW-CTAYAHSISA-N 424.544 6.589 30 40 HKEB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)cc1 408966211 NSIOIAAKKZWCBL-FYJGNVAPSA-N 402.475 5.349 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(C)c2)S/C1=N/c1ccc(F)cc1 409231027 HTHTVYHDEGDGDB-UMUYUUQJSA-N 419.525 5.857 30 40 HKEB FC(F)(F)C(CCOc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 1083809865 XFUYSJSYHAJAAM-UHFFFAOYSA-N 419.081 5.891 30 40 HKEB C/C(=N\OCc1cccc(C(F)(F)F)c1)c1sc2nc3ccccc3n2c1C 1394358 YZQAJVWVORLJFU-BRJLIKDPSA-N 403.429 5.817 30 40 HKEB C=CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 2342351 BAEAYEWGOUEGMW-UHFFFAOYSA-N 414.574 5.854 30 40 HKEB C=CCc1cc(Cl)ccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 2439933 JXXBJHZBECKUMT-UHFFFAOYSA-N 418.880 6.185 30 40 HKEB CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 4168027 IGDFBXCEOTZSNK-AREMUKBSSA-N 417.597 6.372 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1 4199706 NFKFWPZUFLIRQA-PPHZAIPVSA-N 424.500 5.703 30 40 HKEB COc1ccc(/C=N/Nc2ccccc2C)cc1COc1ccc(Cl)cc1Cl 4807101 CTKSJRVLSPPURG-DHRITJCHSA-N 415.320 6.335 30 40 HKEB COc1ccc(N/C=C2\C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1 5487838 GOSOFAONCKLXHN-UKTHLTGXSA-N 404.249 5.422 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@H](c1c(Cl)cccc1Cl)Nc1cc3ccccc3cc12 8400142 PSDIDSSAUYEDDN-XMMPIXPASA-N 422.355 7.456 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)c1 8811694 LIWCCNQQFDZDEA-CVKSISIWSA-N 409.917 5.048 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(Cl)cc1Cl 15305145 HJCVQVURXYPUIR-JOCHJYFZSA-N 423.343 6.742 30 40 HKEB COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c1 19820494 LSSWLEAURMYRIL-UHFFFAOYSA-N 412.902 5.151 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 20633233 PDSMEWMQNOQFAV-IBGZPJMESA-N 414.292 5.361 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1 32984337 PJHHZIJVHVAEHC-UHFFFAOYSA-N 421.493 5.401 30 40 HKEB N#C[C@@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 35335112 ODRWOUKIHMCLJQ-GGAORHGYSA-N 416.506 5.095 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N(c1ccccc1)c1ccccc1 36559056 UOSPEQCBLBSMIP-UHFFFAOYSA-N 421.525 6.077 30 40 HKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953157 GXFNRYUZEMCXCH-JOCHJYFZSA-N 417.597 6.616 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 123426001 LQJLWZKFQZZWGW-ZYDBYGMNSA-N 402.575 5.449 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1 215267001 VKXZEPSBYOJRSK-WOJGMQOQSA-N 403.862 5.280 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 408718068 GXRDJSRRSDHGSV-YDZHTSKRSA-N 420.266 5.622 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 408907574 BMCXMQBVFXEZSG-DSBFQLCGSA-N 405.350 6.316 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409200886 KDFUDDISNBUNOB-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409210273 JPOGAIMFGVDXMX-VULFUBBASA-N 423.896 6.075 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 409211369 NBCQOYSQHAOXJN-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1Br 409388073 TYHRGVFIZLZJFI-WYMPLXKRSA-N 421.250 6.493 30 40 HKEB CC(C)(C)c1ccc2[nH]c3c(B4OC(C)(C)C(C)(C)O4)cc(C(C)(C)C)cc3c2c1 2113469520 BDYVBMXZGUPTJL-UHFFFAOYSA-N 405.391 6.215 30 40 HKEB O=C1C(=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)c2ccccc21 980452 PMFKVSTVKCVXAO-UHFFFAOYSA-N 413.476 6.305 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccc(Cl)cc3)ccc21 2405549 RTRZGSBGHBFWGS-NHDPSOOVSA-N 415.247 6.328 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 2618505 DKPVHJHAZVHPBI-UHFFFAOYSA-N 413.458 5.116 30 40 HKEB CSc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4598235 YKTXPCYNRDVBRY-XBXARRHUSA-N 401.281 5.174 30 40 HKEB Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1 4663702 WUYTZIWYBDROAP-AREMUKBSSA-N 408.501 5.812 30 40 HKEB CCCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811874 OQJRWAXHYLJVFS-SRZZPIQSSA-N 411.727 5.024 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 9272204 KKMNODUYWOXFOH-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB CC[C@@H](C)Oc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O 14009014 LCMFHQBGNUPBCX-TWTKUYCTSA-N 410.539 5.114 30 40 HKEB CSc1ccc([C@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196578 PNPILMOABHNGGE-HSZRJFAPSA-N 416.546 5.493 30 40 HKEB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 20808369 PPVDVFRBBRAPBA-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCCCC2)c1ccccc1 27525850 BATBJUGPQRVETQ-UHFFFAOYSA-N 400.329 5.359 30 40 HKEB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 31433716 URKBFDGWRZBGLL-LJQANCHMSA-N 421.500 5.690 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H]5O[C@H]5[C@]4(C)[C@H]3CC[C@@]21C 123230492 AVWJZXUEQFMBRC-GJTDYMMHSA-N 402.663 6.456 30 40 HKEB Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 223570087 UGSVNXDLUDWLDK-DPGFWJQXSA-N 419.594 5.951 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OCC 408915031 WPNCICNEMWSXCN-FTJNEJEMSA-N 424.566 5.670 30 40 HKEB C=CCOc1c(I)cc(CNc2cccc(C)c2)cc1OCC 409117328 XKTZONIXWXVWPA-UHFFFAOYSA-N 423.294 5.175 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409203428 XCBNVNZLSLKCKI-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409207940 CXZRFRYCWUCQPB-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409212066 PQLKRBBVZDMBQT-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 409216799 OOAIMXZFKVTZMC-RGVLZGJSSA-N 411.137 6.059 30 40 HKEB CC(C)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409384235 BMZDIBJYLYUEAG-MZJWZYIUSA-N 424.903 6.371 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)s1 585295139 MVTBAQPQJKPREC-HSZRJFAPSA-N 417.582 5.689 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C#N)C1 2092797 ZVHBZHMWRAHOJO-AWEZNQCLSA-N 411.527 5.630 30 40 HKEB CC(=O)/C(=N\Nc1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 4472538 AJRWTSZIMXOXNP-WEMUOSSPSA-N 412.518 5.850 30 40 HKEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)c1 4933448 WHSDEOMDPUIQQA-QFIPXVFZSA-N 403.913 5.707 30 40 HKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1 5455769 FOTHVGQXWZPQDS-UHFFFAOYSA-N 421.548 5.031 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OC 8362938 MLWGSQMXZXTEBF-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB O=C1C2=C(NC(SCc3ccc(F)cc3)=N[C@@H]2c2ccccc2F)c2ccccc21 12959156 NVNUHXWCIMNDGB-JOCHJYFZSA-N 418.468 5.506 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccncc1 14163691 DSKQCHKVZNUBBE-DMZKTXOQSA-N 404.901 5.175 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccc(F)cc1)[C@H]2c1ccco1 15826319 RNMWXUALAPLYNJ-VWLOTQADSA-N 416.496 6.235 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1ncnc1N2 18197310 FHRZKUVZYSDELW-MLCYQJTMSA-N 417.321 5.062 30 40 HKEB O=C1/C(=C\c2ccccc2OC(F)F)CCC/C1=C\c1ccccc1OC(F)F 33385687 GZTANQRBMICPHN-RFTYBOQRSA-N 406.375 6.109 30 40 HKEB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3SCCC#N)n2)cc1 78668847 FWYCDXSOQCALDH-UHFFFAOYSA-N 420.538 5.437 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1 102868305 FKCYJNFIZHYLSO-BRJLIKDPSA-N 411.288 6.820 30 40 HKEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1ccc(Cl)cc1 138209460 HRKLLGWMFCFBGR-GRXGRPPOSA-N 413.955 5.622 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408911975 LJFBNEPPUSCQPY-FTIPTLOASA-N 415.902 5.571 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 409019257 ZVQVFJMEYMTVCZ-UFFVCSGVSA-N 408.331 6.655 30 40 HKEB C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 409077997 HCIOPHFCSGOLIE-CVKSISIWSA-N 420.440 5.801 30 40 HKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)sc2c1CCCC2 409137457 XKEKCEYBWYCSEE-ZVHZXABRSA-N 419.531 6.309 30 40 HKEB Cc1cccc2oc(-c3cc(/N=C/c4cc(Br)ccc4O)ccc3O)nc12 1435248 QYCULNHTVHVLOA-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB CC(C)(C)[C@@H](COc1ccccc1)/N=C1\NC(=S)N(Cc2ccccc2)C1(C)C 1445438 QHDJSDANFXSTSF-HXUWFJFHSA-N 409.599 5.048 30 40 HKEB CCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCC)cc2)cc1 4844211 PAONNXBCVJWYJE-KAVGSWPWSA-N 406.566 7.120 30 40 HKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2Cl)NC1=O 5376521 ASWFBDIZHLJWSC-YVLHZVERSA-N 405.306 5.450 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2C)NC1=O 5793311 PTWOVDQDWXRLHU-HZHRSRAPSA-N 416.546 6.137 30 40 HKEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(Cl)cc1 6283060 VOXJEHVUNGKAOM-NRFANRHFSA-N 419.864 5.132 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2ccccc12 7777877 LWYCMUQAICNBGJ-VHEBQXMUSA-N 400.481 6.589 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N\Nc3ccccc3)N(c3ccccc3)C2=O)cc1 16901272 XRVAONSXMYFMEW-CVXQDMMISA-N 414.534 5.257 30 40 HKEB CCCCC1=C(C)C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@@H]1CCCC 16951509 WNRAOAAOTUQJHI-FQCZDGKXSA-N 416.522 6.624 30 40 HKEB Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1N1CCOCC1 59303327 RNPPNEHWGCEMMQ-HZHRSRAPSA-N 411.299 5.296 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916134 MNCABEXSEDNYIM-KIKUUBSVSA-N 421.625 5.719 30 40 HKEB C/C(=C/N1CCCC[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118922855 MQHJWPXWEQBQHC-SQHODEJLSA-N 409.658 6.913 30 40 HKEB C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118935307 WJHSEWONWLVSGI-ZCHBMYMGSA-N 402.575 5.305 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C#N 225768378 WKDODPPDVBOENU-UHFFFAOYSA-N 406.526 5.586 30 40 HKEB CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 408585890 JXIWVTLZYPSYDA-UHFFFAOYSA-N 402.918 6.119 30 40 HKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408737871 INVYVESMBYUERH-FSJBWODESA-N 401.735 6.569 30 40 HKEB Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 408906507 CCGSHSFTLXKGSK-RERTVAKNSA-N 404.560 5.903 30 40 HKEB O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)N2CCc1ccccc1 409049186 YCRHIRSTDGOZTH-UHFFFAOYSA-N 413.517 5.048 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc(Cl)c1 409113496 ILGYSJODJUFUCR-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)cc1 409183773 GCRFBWYAYXCPKP-TURZUDJPSA-N 400.566 7.291 30 40 HKEB Cc1ccc(C)c(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 409209332 FVXWMYCHBQHKKR-ZCTHSVRISA-N 415.536 7.939 30 40 HKEB C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](CC(C)C)O[C@H]1c1ccc(C(=O)O)cc1 585266538 DMRDXHBGQPFQPE-XQUALCHDSA-N 412.957 6.890 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c(Cl)cccc1Cl 675983 REMUVTJOJJLAPN-UHFFFAOYSA-N 419.348 6.394 30 40 HKEB Cc1sc2ncn(/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)c2c1C 3330209 POBCCAWLTFEVFD-YSURURNPSA-N 410.930 5.018 30 40 HKEB CSC(=S)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 5128683 DXMXGHDGLWRPDP-LFVJCYFKSA-N 401.560 5.869 30 40 HKEB O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc(F)ccc1OCc1ccccc1 5279064 IUXBEQMFPFEZON-PKNBQFBNSA-N 400.371 6.320 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C#N)C1 5383707 PHVDWAPZZLFGSQ-GOSISDBHSA-N 418.562 5.941 30 40 HKEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5858986 YHTORQHCISDUIE-OYKKKHCWSA-N 414.457 5.300 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 8426093 BSZUWADRYHNHQV-ATVHPVEESA-N 418.503 5.199 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2/C(Br)=C/c1ccccc1 8974960 VNVLZAVRMFRLKA-FPIZWNAKSA-N 423.354 5.972 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1c(C)cccc1C 17085020 BQDZDJADGLUHJT-ZLWNKQBNSA-N 421.566 5.067 30 40 HKEB CCOc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)ccc1O 19832541 QGPQMLCWPYNUBW-UHFFFAOYSA-N 400.265 5.281 30 40 HKEB O/C(=N\c1nnc(SCc2ccccc2)s1)c1ccc(CN2CCCCC2)cc1 21954681 NSUYVQLXXNUFHU-UHFFFAOYSA-N 424.595 5.453 30 40 HKEB Cc1ccc(Sc2ccc(/C=N\Nc3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 32124662 HETNEENGQISBJH-XKZIYDEJSA-N 420.519 6.110 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc2ccccc12 59461920 XUAQPJGEWJUTGM-UKILVPOCSA-N 405.497 5.882 30 40 HKEB CCCCCCCCCCCCCCCC1=NCCc2c1[nH]c1ccc(OC)cc21 70665698 WGJNYQRQQDBOMG-UHFFFAOYSA-N 410.646 8.003 30 40 HKEB biogenic Oc1ccc2cc(Br)ccc2c1/C=N/c1ccc(Br)cn1 96430107 ABAHBZYZGBHYJB-AWQFTUOYSA-N 406.077 5.216 30 40 HKEB CN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1cccc(C(F)(F)F)c1 100291939 POEJSVGYASAULC-CSRNMWFLSA-N 412.820 5.298 30 40 HKEB COc1ccc(/C=C2/C[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@H]5[C@@H]4CC[C@H]3C(C)(C)C2=O)cc1 118928301 WLFXSYTUYMIDAF-CFLUVXOASA-N 420.637 7.327 30 40 HKEB C=CCOc1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC 408529560 IKVUIIRLWWUQKS-SFQUDFHCSA-N 401.871 5.154 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccccn3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408722108 DUGULQBCRPIUFC-AFUMVMLFSA-N 414.490 6.148 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)c(C)c1 409039965 RUXKIRNHDXMNJU-WMDMUMDLSA-N 409.349 5.425 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409114043 KHOIAYHAHXXVJI-YVLHZVERSA-N 400.305 5.549 30 40 HKEB C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Br 409122250 ZNLCOXOPKZJJJF-UHFFFAOYSA-N 408.295 5.866 30 40 HKEB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C#N)cc1 409148673 ZOUMDEAFHQGUAR-LPYMAVHISA-N 419.550 5.582 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(F)cc1 409234830 MXLOWABMWVNTBK-QZUMTDLQSA-N 411.285 5.462 30 40 HKEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc12 409284854 RZRKQGROOWVGCS-UHFFFAOYSA-N 411.505 5.488 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1 1077080 PFEPNBKIRPUXAR-WXTAPIANSA-N 414.936 6.628 30 40 HKEB Cc1ccc(N2C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 1079934 ZPMNCZZOKKEZMU-IBGZPJMESA-N 404.466 5.067 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 9422168 ZCYMFXUTUIHUBS-YQDLVZDASA-N 407.469 5.887 30 40 HKEB C=CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cccs1 12603039 SYLMNIJZPNGWTA-MXPDZRDSSA-N 404.358 5.010 30 40 HKEB CC(C)CCN1C(=O)/C(=N/Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21 17877644 NFRMQTPVPFJBRH-HAVVHWLPSA-N 410.732 5.856 30 40 HKEB Clc1ccccc1CN1CCN(/N=C\c2cccc(OCc3ccccc3)c2)CC1 19790550 RDKROQLFNRIYMY-IMRQLAEWSA-N 419.956 5.071 30 40 HKEB CCc1ccc(OCC(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)cc1 72228792 QYZAEAINIHVSHQ-UHFFFAOYSA-N 410.543 5.301 30 40 HKEB Oc1ccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 96401680 QPKMDOKMJJEBAF-ZUOQFLAMSA-N 405.910 5.500 30 40 HKEB CCCCCCCNC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc12 97953020 YPNRMFGXCLPOLE-UHFFFAOYSA-N 409.578 5.447 30 40 HKEB CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 98086884 JJQLTJQWXKSGQI-ZMOGYAJESA-N 421.294 6.276 30 40 HKEB CCCCCCCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 100950373 GXOJNLUOHCUKSK-UHFFFAOYSA-N 422.594 6.577 30 40 HKEB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918058 MRTBVEZPPZIQIP-FIJMLPHRSA-N 400.603 6.114 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 214140575 UUITZNSOQMSTEF-RGVLZGJSSA-N 420.877 5.708 30 40 HKEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 408720418 OEBWCINPFWKNJW-FSJBWODESA-N 407.451 5.426 30 40 HKEB Cc1cc(/C=N/c2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 408737354 CJMZISUGEKOIJZ-MFKUBSTISA-N 403.323 6.760 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 408768613 HUPQGIRLBCBBTN-JAIQZWGSSA-N 422.941 5.343 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 408870669 WJJHPGHSPYPKRK-INPJYJNQSA-N 420.534 5.598 30 40 HKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O[C@H](C)CC 408930976 FQAIKXUMXNFAHB-GZPJKGAFSA-N 416.949 5.503 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 408932359 WCTLADGXQYCEAR-PFRBSUFTSA-N 417.347 5.214 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 409073085 UVNBMTKOWPCOBU-KKMKTNMSSA-N 415.415 5.442 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409080465 IBFQWRHHBSHYEE-UNOMPAQXSA-N 424.283 5.917 30 40 HKEB N#Cc1c(-c2ccc(Br)cc2)cc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1N 842731 NTAIKGAIPFZQTG-UHFFFAOYSA-N 419.238 5.017 30 40 HKEB CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 848132 QMNSLIAWJHUJJV-HSZRJFAPSA-N 423.553 5.175 30 40 HKEB CCCCCCCCCn1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc21 2266583 DHJBTEPKYNWMKH-VFCFBJKWSA-N 413.565 7.396 30 40 HKEB Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4737635 MDUCBZNQFFSDJJ-FSJBWODESA-N 409.829 5.265 30 40 HKEB CCc1nc(N/N=C/c2ccccc2OC(F)F)c2c3c(sc2n1)CCCC3 4738412 JIJRFOZNNHEGCI-FOKLQQMPSA-N 402.470 5.180 30 40 HKEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 4794539 IEXBLVBQKWXXHT-XMMPIXPASA-N 418.537 5.462 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O 5005632 XWWCHBYWLYLHDA-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB C[C@@H]1CC2=C(C[C@@H]1/C=N/n1cnc3c([nH]c4ccc(F)cc43)c1=O)C(C)(C)CCC2 5024991 PYRYQEDXBYQROD-AIIIKSABSA-N 406.505 5.404 30 40 HKEB O=C(C/C=N/OCc1c(Cl)cccc1Cl)c1ccc(Br)cc1 5248574 NDELRCLEJRQXIK-AWQFTUOYSA-N 401.087 5.531 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccnc2ccccc12 5455542 PVFAGJZQFULLJO-RWPZCVJISA-N 404.477 5.224 30 40 HKEB Cc1cccc(C)c1/N=c1\scc(-c2cccc(Cl)c2)n1/N=C/[C@H]1CC=CCC1 6523454 IBAJZAFIYLBSJC-YVYVYTSGSA-N 421.997 6.909 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 18030340 VJCRYCPEWWTESB-UHFFFAOYSA-N 407.514 5.105 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 18121923 JBHBVPKOVZUIHF-KDYSTLNUSA-N 408.501 5.607 30 40 HKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O 38179989 RGHUGRSNQRHHSF-WBILBPDKSA-N 422.912 6.809 30 40 HKEB Cc1c(Br)c(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 59104077 KDKHNBZHCQHCBR-UHFFFAOYSA-N 406.279 5.319 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(C)cc1 59459529 YJBVBEUIGWQGSK-WINMZROPSA-N 417.940 5.416 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/SC(Nc3cccnc3)=NC2=O)cc1 97961729 JHGVJRIBVWUOGT-LTGZKZEYSA-N 409.555 5.903 30 40 HKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1 102718503 KAQQEFPWPYRBGN-ZHHPLPSFSA-N 424.456 5.071 30 40 HKEB CCOc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)ccc1OC 408749949 VGQNENFQWANLAQ-RQZCQDPDSA-N 423.321 5.292 30 40 HKEB CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 408915606 QFMNFJRCXFDFJQ-OBUXZSPNSA-N 414.530 6.282 30 40 HKEB COc1ccc(CN2C(=O)/C(=C/c3cccs3)S/C2=N/c2ccccc2)cc1 408919342 WPUUBAUYOWNIHJ-JHHKTYBCSA-N 406.532 5.561 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc1 409092418 XXQNVDHVCVCPHC-OPVMPGTRSA-N 400.187 6.113 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C(C)C 409203603 ZBWUDGXLUBVDBR-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C2CC2)C[C](O)C[C@@H]1O 1560404558 BPMKMRRXCKEFJT-YRSHDKIYSA-N 413.622 5.858 30 40 HKEB CC(=O)Oc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 1441360 LUZNKSOQSNLWII-QHCPKHFHSA-N 412.489 5.361 30 40 HKEB O=C1C=CC2=N[C@@]3(c4ccccc4)C[C@@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 2273169 QWNGNSVEQORLJT-IADCTJSHSA-N 414.508 5.847 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(OC)c1 4826828 BLGHMDSQLMTFKY-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc(Cl)cc1 7981252 VEYUBIZFEDCEJQ-SFHVURJKSA-N 413.930 5.181 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(C)c2)SC1=S 19798764 FBUZBQOJYPSHOC-UNOMPAQXSA-N 415.967 5.615 30 40 HKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 33957378 PZMASCFNOYVBCT-HABTXOPUSA-N 406.957 6.377 30 40 HKEB CCCCCCCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 100668350 PVPQRPXZKLCJGO-SANMLTNESA-N 407.598 6.488 30 40 HKEB Cc1cccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(Oc3ccccc3)c2)c1 102923211 ARQBNTYYMSVVDH-ORIPQNMZSA-N 418.496 6.395 30 40 HKEB C=CCSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 225823538 HUJJVRNFJWMITH-UHFFFAOYSA-N 413.593 5.669 30 40 HKEB C=C(c1ccccc1)[C@]12CC[C@H](O)[C@H]1CC(CCCCCCC)=C2c1ccccc1 248290869 STLQFIHIPSLPQS-IUAQSZDVSA-N 400.606 7.675 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 408723426 ULXKHSBKUDICCC-PCLIKHOPSA-N 400.503 6.245 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1C1CCCCC1 408909934 FPMNNFFYEQRBTN-OBUXZSPNSA-N 420.578 6.194 30 40 HKEB O=C(O)c1cc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Cl 409096556 LKSWDTOHHQLOPY-FMCGGJTJSA-N 402.302 6.593 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 409209313 FPAYKNDITBKJIP-AFUMVMLFSA-N 409.869 5.767 30 40 HKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 20672573 FXIIWRSSNQNNOW-RUZDIDTESA-N 409.489 5.493 30 40 HKEB CCCCCCCCCCCCCCCCOc1ccc(C(=O)CCC(=O)O)cc1 100813363 KVXATOKLEDVNKR-UHFFFAOYSA-N 418.618 7.594 30 40 HKEB C=CCS[C@@H]1N=C2C(=C(O)N1Cc1ccccc1)C1(CCCC1)Cc1ccccc12 101321682 KZFZDPUCNIILPV-RUZDIDTESA-N 416.590 6.080 30 40 HKEB C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118935305 WJHSEWONWLVSGI-VDYVOLKCSA-N 402.575 5.305 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 225768593 HGAMRQWTOMZKDH-SFHVURJKSA-N 406.526 5.585 30 40 HKEB O=C(O)c1cc(/N=C\c2cccn2-c2ccc(Br)cc2)ccc1Cl 408859315 VQFBLEDOBHPARK-NHDPSOOVSA-N 403.663 5.342 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408863206 LAXAAQKEFRDBBZ-YVLHZVERSA-N 407.322 5.592 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl 409010382 KFUZXTXYXUDXAX-YJVDXNARSA-N 400.931 5.751 30 40 HKEB CCc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 409212141 PLOZLWPSGYOSGL-AJBULDERSA-N 415.536 7.885 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(Oc4ccccc4)c3)c2C#N)C1 409216247 JEMTXFOTOCZICU-BKBIYGFMSA-N 414.574 7.314 30 40 HKEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/Cc3ccccc3)ccc12 978731 DWAAWYLHENWLFL-FSJBWODESA-N 414.914 5.309 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[n+]1ccccc1 4065024 SYUGLBZIXVZTRT-IGSOQLKZSA-N 422.589 5.500 30 40 HKEB biogenic Oc1ccccc1[C@@H](/N=C/c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1O 4529211 MEEPXMIKAVXUMF-VENLXOIHSA-N 420.512 6.118 30 40 HKEB CCc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)cc2c1 4848943 KCLUELJXOVRLGB-UHFFFAOYSA-N 404.520 5.009 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 5376609 JYALXDNFLVPKDI-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB C=CCNc1nc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cs1 7781252 GPJCJHALBQRXOF-NRFANRHFSA-N 417.490 5.003 30 40 HKEB S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 9283640 JMXLEIFKOPOCGW-CVKSISIWSA-N 422.517 5.343 30 40 HKEB COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 20762690 LQBGDZZKUVYXKB-VULFUBBASA-N 415.320 5.705 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 59105803 ONLOFXWXKQJAQE-HMAPJEAMSA-N 419.525 5.687 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO 100055852 QKSBICQDOPKLQM-UHFFFAOYSA-N 416.643 5.817 30 40 HKEB O=C1/C(=C(\Nc2ccc(Br)cc2)c2ccccc2)Sc2ccccc21 100056433 YMOVMTRGZWCQCB-XUTLUUPISA-N 408.320 6.218 30 40 HKEB Oc1ccccc1/C=N/c1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 100484415 KANRPJPZWOKNOC-GMGWLRNASA-N 407.557 6.932 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc2ccccc12 101315301 SZHDJIIWZSYFIW-PPYUERFYSA-N 412.489 5.071 30 40 HKEB FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 103531696 NNGXTNJXCLPCHG-UHFFFAOYSA-N 416.511 6.072 30 40 HKEB COc1ccc(/C=C2/CC(C(C)(C)C)C/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O 207527264 HNLHXGGHKKUNFZ-BJPQZVBLSA-N 422.521 5.607 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408844111 HAJKRURJLZOOBR-JZCUADNKSA-N 409.371 7.121 30 40 HKEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408903269 WSNGWGIUUYXBAX-MFKUBSTISA-N 416.484 5.367 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N1CC 408914012 SADNUCLYXTYRBI-LBMUFILHSA-N 424.566 5.669 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC 409091977 RZRZXCJAZHVJOH-VSRRSJTHSA-N 412.555 5.547 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(N(C)C)cc1 409097282 MALMUWJNRXULOK-RPPGKUMJSA-N 401.436 5.020 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409121054 XKJQKIRVKTXFHT-UHFFFAOYSA-N 418.493 5.831 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409203500 XMNIVIUXXFICAR-KOEQRZSOSA-N 423.534 5.474 30 40 HKEB C=CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 2182368 FHAKWBCAKKOAIV-ZDUSSCGKSA-N 402.585 5.129 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nc2sc(C)c(C)c2c1=O 2383188 QQPRGVCTITXLOF-UHFFFAOYSA-N 421.385 5.316 30 40 HKEB CCCC(=N/Nc1nc2ccccc2s1)/N=N/c1ccc(Br)cc1 4099383 SQFHOGMQJLDTSF-WFOXIITASA-N 402.321 6.368 30 40 HKEB C/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1cccc(Br)c1 6513263 LVUYKTUQIOAMRM-OINPPHAGSA-N 406.736 5.045 30 40 HKEB CCCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl 6880701 DJQHZHTXGDIKGR-MFKUBSTISA-N 400.305 7.325 30 40 HKEB O=C1CCCC2=C1[C@H](c1cc(Br)ccc1O)C1=C(O)c3ccccc3C1=N2 9144936 QDSNONQSXZUXAS-SFHVURJKSA-N 422.278 5.031 30 40 HKEB O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 9311828 POWIPSMHDSPLOB-GJHWIIEUSA-N 421.525 6.286 30 40 HKEB CC(C)C/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1cccs1)OCO4 13511165 QLJCIVKKWOPDIA-DQRAZIAOSA-N 411.552 5.145 30 40 HKEB N#Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 17089077 FUGLWLXKPNYLIX-UHFFFAOYSA-N 411.939 5.042 30 40 HKEB CCN1C(=O)/C(=C\Nc2ccc(C)cc2)S/C1=N\c1ccc(C2CCCCC2)cc1 18100384 BODYZQRPDCOIIS-ACWMPWAISA-N 419.594 6.579 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3ccc4ccccc4n3)nc3ccccc23)cc1 69382978 RQQWAPINFUEILD-CVKSISIWSA-N 409.880 5.944 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 408596496 ZQAXCOJXXLJRED-MFKUBSTISA-N 420.465 5.432 30 40 HKEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)c1 408973522 BITUUOKQLHMBCI-KQWNVCNZSA-N 417.505 5.136 30 40 HKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409238702 FJNYLPKLIONERZ-RDRPBHBLSA-N 424.544 6.394 30 40 HKEB COc1cccc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1O[C@@H](C)C(=O)O 409242047 PXNGWDZEDLFAFC-STPJHCLOSA-N 405.450 5.398 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)S1 409245803 ZGIZPTFQNRCXCB-ODLFYWEKSA-N 422.941 5.343 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C 2055243 RJGMUFJJQIVNED-QFIPXVFZSA-N 411.542 5.031 30 40 HKEB N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1 3449980 CFNBEDULJDCZKG-UHFFFAOYSA-N 409.561 5.045 30 40 HKEB aggregator O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)c1c(ccc3ncccc13)N2 4707986 OSEIPJHYXMPYFK-RXFWQSSRSA-N 402.497 6.193 30 40 HKEB CCOc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2CC)cc1 5003670 VKNCSUCMZDQDLN-QHQVFXOCSA-N 411.552 5.079 30 40 HKEB Clc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cl 12463474 IKORQPYEYPAXPM-YUMHPJSZSA-N 422.359 5.715 30 40 HKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc4ccccc34)N(C)C2=O)cc1C 15188447 TTYSKXFLUUMKQJ-JXDROGBKSA-N 417.534 5.047 30 40 HKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 33424188 RMXSRFLAHUJHEC-SFQUDFHCSA-N 410.473 5.453 30 40 HKEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)o1 35647043 AISUTIQIZDRZBK-POHAHGRESA-N 418.099 5.241 30 40 HKEB OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681799 PYOIUKBYPXQLLT-UHFFFAOYSA-N 420.209 5.668 30 40 HKEB N#Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103594309 QNZDAKSOZJKIRG-UHFFFAOYSA-N 401.175 5.041 30 40 HKEB CCCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 105294300 KLJNWYXHCKEMHP-QFQXNSOFSA-N 420.597 6.657 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 108970377 MGWQYQXVVDIJSD-PYCFMQQDSA-N 420.509 5.092 30 40 HKEB C#CCOc1c(Br)cc(/C=C2/Sc3ccccc3C2=O)cc1OCC 409315890 OXDGVQDMDIQMAI-LDADJPATSA-N 415.308 5.189 30 40 HKEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409347998 PNNWAEBQUNUYGE-CXUHLZMHSA-N 421.330 5.302 30 40 HKEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1-c1ccccc1 409407557 UNSOWZVEABEBJT-UHFFFAOYSA-N 418.500 5.353 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)COC(C)(C)OC 2061000549 YLKMLFDCTCHWNI-QHCPKHFHSA-N 413.687 7.152 30 40 HKEB Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCOCC3)c(C)c2)cc1 1441674 SMIFNSYLDFXDFI-UHFFFAOYSA-N 409.489 5.343 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1 1947828 VZKHTHOHSXOUJB-RDRPBHBLSA-N 418.496 6.850 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4c(O)ccc5ccccc45)ccc3O)nc2c1 1955267 JQQSXZLUYVFQDU-JFLMPSFJSA-N 408.457 6.372 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@]12C 4666760 PPBLYMALQBCVFW-AZLQKVRJSA-N 402.619 6.518 30 40 HKEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 4930290 GAPMAVJKCWCVPD-HSZRJFAPSA-N 415.489 5.430 30 40 HKEB Cc1ccc(OC/C(=N/OC(=O)Nc2cccc(Cl)c2)C(C)(C)C)c([N+](=O)[O-])c1 5539289 VJDSIXKOGJGVOR-NKFKGCMQSA-N 419.865 5.586 30 40 HKEB C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 8973292 LIFGGMHVPVQMLE-UHFFFAOYSA-N 404.388 5.432 30 40 HKEB N#Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1Cl 9390544 WMXMBWKCOMZZML-UHFFFAOYSA-N 423.252 5.014 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c2ccccc21 9422472 UVHCOGKSLKLNKX-CVKSISIWSA-N 423.512 6.473 30 40 HKEB C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)C1 12418916 PVHJQTDALXFTSU-GJZGRUSLSA-N 411.889 5.521 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1C 15013257 OJZOKSWESZOJSJ-HYARGMPZSA-N 419.525 5.687 30 40 HKEB Cc1ccc2c3c(ccc2n1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N3 15024082 UJJCKQLVDUSOOU-OAQYLSRUSA-N 419.322 5.870 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1ccccc1Cl 16971310 MBMNAAZTSJKXFK-FQEVSTJZSA-N 420.900 5.237 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 17167008 GTOBRURPJQYGBE-UYRXBGFRSA-N 409.898 5.031 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 33766799 PWEBKOBRFDZTTM-JYAWBRCSSA-N 423.582 5.336 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C\c4cc([N+](=O)[O-])cc(C)c4O)c3)nc2c1 33907652 LYQLOBMTSIMPDI-MSXFZWOLSA-N 401.422 5.784 30 40 HKEB c1ccc(/N=C2\Nc3ccccc3\C2=C2/C(Nc3ccccc3)=Nc3ccccc32)cc1 38175440 AFXSTDUJCLHWSC-OCEACIFDSA-N 412.496 6.909 30 40 HKEB O=C(/C=C/c1ccc2nccnc2c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 58324578 YPPHEJKRAMUTTI-ACCUITESSA-N 403.441 5.034 30 40 HKEB CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2CC)cc1 100259540 DONUJMPKVCNWIX-CFDZAGTRSA-N 402.903 5.068 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccc(C)cc1 104379998 ASDCKXXXBHTDHG-UHFFFAOYSA-N 416.650 7.905 30 40 HKEB CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C 198160663 MMKPXWTWJWKGMI-VUTHCHCSSA-N 410.561 7.560 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O 299888496 LWQQLNNNIPYSNX-CRTCDPGOSA-N 412.614 5.091 30 40 HKEB C=CCc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 408846403 KHBBICJKBCLGGO-WGOQTCKBSA-N 401.462 5.305 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cccn1-c1ccc(Br)cc1 408855617 FBTJMNXBGQXVBL-AQTBWJFISA-N 424.323 5.131 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(C3CCCCC3)cc2)c1C 408912951 IURTXABNQVGIJK-OGLMXYFKSA-N 414.549 6.899 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OC 409078193 HHRFKOGHHTXXDO-KWRYHKOTSA-N 416.974 6.192 30 40 HKEB CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 409120152 YGHBQWCUURBGNM-HAHDFKILSA-N 406.463 5.673 30 40 HKEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccccc3F)c12 409145004 HLOIEZJBNJPIDJ-UHFFFAOYSA-N 409.460 5.854 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 409186630 FTJOHWVFBKHTHH-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409200692 IMVZTSDSKSUCRY-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 409229789 VBRWXYIVDMDNJJ-LGLPZBKBSA-N 410.539 5.496 30 40 HKEB N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409362443 VIJJYFHDHRIBIL-MHWRWJLKSA-N 420.437 5.014 30 40 HKEB O=C1CSC(=NN=C/C=C(\Cl)c2ccc(Cl)cc2)N1c1cccc(Cl)c1 575628182 CHQQDAGMPXMMRL-YTRCFTLNSA-N 424.740 5.695 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)C(Cc2ccncc2)=C3c2ccccc2)cc1 1383483 JHWUXSBFAQTPCB-UHFFFAOYSA-N 419.480 6.123 30 40 HKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 3169629 ZULBUOGCSQNCDS-NTJMOUOKSA-N 403.825 6.472 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)on3)c2C#N)C1 4881132 LIASLOPYGISUPH-GFCCVEGCSA-N 411.552 5.740 30 40 HKEB O=C1/C(=C(/Br)I)c2ccccc2-c2ccccc21 6003818 LCNOYWWCZYMTFN-SQFISAMPSA-N 411.036 5.048 30 40 HKEB Cc1ccccc1[C@H]1C(/C=N/c2ccccc2)=C(c2ccccc2)Oc2ccccc21 6303015 UKOMLMMTFAOXDE-AWUWXFTQSA-N 401.509 7.333 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 6959862 AWUIIUFHOJRHJA-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 7427414 AGHKGTJACSLMHT-LJQANCHMSA-N 422.985 6.249 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCc3ccccc3)n2)cc1 9422676 KFSZOLANSMQEIG-UHFFFAOYSA-N 414.452 5.982 30 40 HKEB CCN1/C(=C/C(=O)COc2ccc(Cl)cc2)C(C)(C)c2c1ccc1ccccc21 12563325 GMTITSWXSHQYKR-HZHRSRAPSA-N 405.925 6.143 30 40 HKEB CCCCCCCCCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21 18129468 DCNGQIXRXIHDEC-UHFFFAOYSA-N 421.541 5.495 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Cl)cc1Cl 19805454 FLNHXIZNFPNIRI-CTNGQTDRSA-N 424.327 6.036 30 40 HKEB C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 59198962 ZNMIVZAOBNAEOF-YZSQISJMSA-N 416.546 6.195 30 40 HKEB CC(C)C[C@]1(C(=O)Nc2ccccc2)O[C@@]1(C(=O)c1ccc(F)cc1)c1ccccc1 65734416 WTTRRISNQAPVTN-CLJLJLNGSA-N 417.480 5.358 30 40 HKEB in-vitro CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NCCCCCCCC 85605932 CSRGRGSMEUKQSD-BNEURXFGSA-N 411.715 6.916 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 97952921 DPGWCGPFSQLZBA-QGZVFWFLSA-N 410.562 5.730 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC[C@@H](C)CCCC(C)C 104151796 WFIGUHNDAQTVIX-MHZLTWQESA-N 424.754 9.644 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OC(=O)c2ccco2)cc1 408765451 WBYQIWXDGHMTSP-PDGQHHTCSA-N 424.865 5.044 30 40 HKEB Cc1ccc(Sc2oc(/C=N\Nc3nc(C)cc(C)n3)cc2Br)cc1 408911647 AWNWGSAJZRSVFQ-JMIUGGIZSA-N 417.332 5.355 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409202064 OMMUHZVQWHNIJF-ZMOGYAJESA-N 410.857 5.895 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 409202345 RUYDDSXCUNYZOR-OSMDJJLVSA-N 424.994 5.615 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409346556 LITDZPLWUTXGDM-UHFFFAOYSA-N 416.333 6.476 30 40 HKEB Cc1cc(Nc2ccc(I)cc2)n2c(nc3ccccc32)c1C#N 820711 NSMMHSCOZINXAB-UHFFFAOYSA-N 424.245 5.016 30 40 HKEB Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(/C=C2\Sc3ccccc3C2=O)c1 2201266 WYDPBYGEWSQWIE-BKUYFWCQSA-N 417.442 5.452 30 40 HKEB Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c1 4576699 IFBMDKLYOIQIOM-ZPKJPUMHSA-N 409.555 5.017 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N1 4993305 JTOGCFLZVCLCQK-XMMPIXPASA-N 414.549 5.546 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 5685073 JSPAAVXRRBJEND-HZHRSRAPSA-N 400.463 5.831 30 40 HKEB CCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1Cl 6397665 CVMBAFXRRNOLLY-UFFVCSGVSA-N 409.711 5.606 30 40 HKEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 9833736 PFUCPXLJHDWIFZ-JOCHJYFZSA-N 408.530 5.741 30 40 HKEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)N1c2ccccc2Sc2ccccc21 13483189 XMIAEICUKREDCZ-UHFFFAOYSA-N 424.549 5.218 30 40 HKEB COc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC 20195716 HXWYNPVSBMAKNG-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB COc1cccc(CNC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1 20274307 RFDKFEBJTJHTSL-UHFFFAOYSA-N 409.407 5.568 30 40 HKEB COc1ccc(OC)c(N/C=C/C(=O)c2ccc3noc(-c4cccc(C)c4)c3c2)c1 100331458 YQNRRCMNZPGGQY-VAWYXSNFSA-N 414.461 5.629 30 40 HKEB Oc1ccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 103598069 VUWLOTWJWJEESK-UHFFFAOYSA-N 423.197 5.246 30 40 HKEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 226333813 BGIQALOYDCQFOZ-UXBLZVDNSA-N 407.691 5.424 30 40 HKEB COc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCc1ccccc1C#N 408741673 NCYSYMQMGSLIRF-JVWAILMASA-N 408.461 5.140 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 408773094 SRQDCEADNMHLEU-MXAYSNPKSA-N 415.320 6.328 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 408960413 FPIDNWUJSYDGBS-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 409102236 VOACSLSIESUIFV-AWQFTUOYSA-N 421.638 5.112 30 40 HKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1cccc2ccccc12 1098510 OSJOGXPPPJMTHE-RWPZCVJISA-N 410.473 6.260 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1ccccc1Cl 1509496 TXCBNXKBEAOPMQ-YZSQISJMSA-N 420.896 5.146 30 40 HKEB O=C(/C=C/N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccccc2)cc1 2385067 ZTNTZHBIQJARHX-BUHFOSPRSA-N 402.925 5.526 30 40 HKEB C[C@@H](C#N)Sc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl 2636609 XKIKJMPMJZUYNP-JTQLQIEISA-N 409.820 5.062 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 3113217 GUCMRIPATMWUIR-DHRITJCHSA-N 404.853 5.994 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 4082203 YCDJBFBVNFNALN-IADCTJSHSA-N 416.524 6.819 30 40 HKEB Cc1cccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2Cl)c1 4933450 WHSDEOMDPUIQQA-JOCHJYFZSA-N 403.913 5.707 30 40 HKEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)OCCC)cc2)c(O)c1 5923930 YPAMYMPZYVEJKW-UHFFFAOYSA-N 408.454 5.096 30 40 HKEB CC/C(=N/OC(=O)Nc1ccccc1)c1ccc(OC(=O)Nc2ccccc2)cc1 17142835 RTINPUWXEJFIAL-QLYXXIJNSA-N 403.438 5.660 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@@H]([C@]3(C)C=CC(=O)CC3)CC[C@]12C 17173111 YLFAUVCVKUBIFC-PKLMQJGASA-N 402.619 6.518 30 40 HKEB CC1=C(C)SC(=C2SC(NN=C(c3ccccc3)c3ccccc3)=NC2=O)S1 57354883 OJLNVQXBHNTTKU-UHFFFAOYSA-N 423.588 5.559 30 40 HKEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)c(F)c1 69847707 UHBCSNDXKTZAST-IBGZPJMESA-N 422.891 5.170 30 40 HKEB CCCCCCCCCCCCc1cc(C)cc([C@@H]2Nc3ccccc3S2)c1O 100291282 PACBIGNRUWABMA-AREMUKBSSA-N 411.655 8.380 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 408872673 NYIKQNLWWZAGNQ-NVNXTCNLSA-N 423.719 5.003 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 408908609 ARONFHGBWVWCDH-GCXIQGEKSA-N 420.509 6.408 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)S2)cc1 408963148 AIIPYWZCLRRVMS-LPYMAVHISA-N 412.518 5.166 30 40 HKEB C=CCn1c(C)c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 408971348 GEQAQPLMNYDKLF-RGEXLXHISA-N 409.411 5.484 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)s1 585293787 MEQHRAPXTJIUKF-HXUWFJFHSA-N 423.611 5.750 30 40 HKEB COc1ccc([C@@H]2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc1 1648873 SEKSEGCZJSHSEM-JOCHJYFZSA-N 402.519 5.333 30 40 HKEB Fc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 4828559 OQBRRVNFEJBFMH-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB CC1(C)CC2=C(/C(=N\Nc3ccccc3)C1)[C@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])O2 4837544 ZZURGLVLOGGSOR-SEELMDQKSA-N 411.889 5.599 30 40 HKEB CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(F)c(F)c1)C1=C(CCCC1=O)N2 4948371 ADLHNBGNKLVUHT-KRWDZBQOSA-N 403.450 5.076 30 40 HKEB O=C(/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1 5445780 QZXZDVDGNPCATO-ATVHPVEESA-N 410.325 7.027 30 40 HKEB CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5669177 BERGNMUDCSHWHZ-YVLHZVERSA-N 401.256 5.017 30 40 HKEB Cc1c(/C=N/Nc2nncc3ccccc23)c2ccccn2c1C(=O)c1ccc(F)cc1 12552987 VOKWDHDNVRDLOE-RWPZCVJISA-N 423.451 5.007 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccccc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18197781 KQDYALYOUAZJRU-VOIUYBSRSA-N 417.530 5.724 30 40 HKEB Fc1cccc(Cl)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19867134 WHMCFPMZCXITMW-JVWAILMASA-N 405.904 5.201 30 40 HKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 20611295 JCAPIYBZNRMVCD-LSERQEFPSA-N 424.585 6.521 30 40 HKEB biogenic CCCCN(CCCC)CN1C(=O)/C(=N\c2ccc3ccccc3c2)c2ccccc21 33247766 IPQYLKOHPIKKSI-SGEDCAFJSA-N 413.565 6.167 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 59194424 STYZISBHRBPWRZ-ZMOGYAJESA-N 421.453 5.109 30 40 HKEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(Cl)c3)C(=O)N2CC)cc1 97464916 LARFQDQWNVVASF-XMFNYGHISA-N 416.930 5.371 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(/C=C\Br)(C(F)(F)F)C(F)(F)F 100288790 KVLSPRHWDKLGCE-UPHRSURJSA-N 424.982 5.839 30 40 HKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 135987313 WTUSPQQENOMLID-LVCNHQDNSA-N 410.498 5.507 30 40 HKEB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253528849 GQZPOAUVKZAMQR-OPGRQVCOSA-N 406.610 7.081 30 40 HKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C(=O)N1C 408930093 RYSIFINTBCSTRO-MDRWVBAWSA-N 421.349 5.413 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 409111808 CHDAAASGSLSESF-UHFFFAOYSA-N 417.549 6.322 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1O 409208128 BDPMLCVSGWYCKF-DJKKODMXSA-N 415.658 5.108 30 40 HKEB CC(C)/N=C1\S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1C(C)C 409214843 YNAGNXLSIHJJQI-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 409217645 RDGWEJZDEXGZBH-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)o2)c(Br)c1 409247079 BQKFLAPJJIIVHK-YVNNLAQVSA-N 409.110 7.075 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccccc3SC)c3ccccc32)o1 409389054 AFKAPTXPNFORGZ-ZMOGYAJESA-N 404.491 5.542 30 40 HKEB CCCCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243224 ZZAODEBPJMBSDG-UHFFFAOYSA-N 408.304 6.460 30 40 HKEB COc1cc(C)c(C=Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C(C)C 1530148625 CEGXWPWHARUFNA-GOSISDBHSA-N 408.611 6.962 30 40 HKEB CC(C)CN1C(=S)N/C(=N\[C@@H](COc2ccccc2)C(C)(C)C)C12CCCCC2 4473693 NLIADRBUYAUTJZ-FQEVSTJZSA-N 415.647 5.428 30 40 HKEB CC(C)=CCCC1=CC[C@@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 4834812 JKMOBELHGOSJNL-IAJSDHNGSA-N 406.505 5.570 30 40 HKEB CCC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 4950204 BNWQSZWWORIXED-AWEZNQCLSA-N 406.555 5.743 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C#N 5128104 LOMCGGMCWLVEET-YSURURNPSA-N 415.280 5.421 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2Cl)cc1 5751307 VBBMGKSXUZMDLM-QFIPXVFZSA-N 403.913 5.707 30 40 HKEB CC(C)c1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1 20081396 IGWVTSZHQKFZBK-UHFFFAOYSA-N 412.518 5.354 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)ccc3o2)cc1C 38179882 QNSHXPGSPLCDEZ-WYMPLXKRSA-N 401.422 5.784 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1 59137097 TUFUFCQYVAPVPH-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1OC 59402625 IZWMNBKOEIGIHV-PAIWINSPSA-N 424.544 6.671 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 59418081 HDQMZPXCCWKUBM-AFUMVMLFSA-N 421.497 5.859 30 40 HKEB N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3OCc3ccc(F)cc3)cc2)cc1 89813134 VJWOQIHQGKASEO-UHFFFAOYSA-N 423.443 6.163 30 40 HKEB CCCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCCC 100297806 QLZXRFAUNOYXNK-UHFFFAOYSA-N 412.655 7.525 30 40 HKEB CCCCCCCc1nc(C#N)c(N/N=C/c2cccc(OCc3ccccc3)c2)o1 101411380 MVFVUAPADHIQHB-OVVQPSECSA-N 416.525 6.084 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 102568179 QRGIRIIYNZIQHT-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OC(C)C 408737657 FYPSTUUSMLLMLK-GRSHGNNSSA-N 416.930 5.336 30 40 HKEB Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I 408905199 VAOFORRZIMFGCI-FYJGNVAPSA-N 414.246 5.491 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409043923 AFHKJFYDSCPZCB-UDWIEESQSA-N 406.894 5.013 30 40 HKEB CCOc1ccc2ccccc2c1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409199825 DZZWHCHNEOPRTO-TVEVAFHQSA-N 416.590 7.073 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(N(C)C)cc3)c2)cc1C 409380137 IYHVRHZJIPXLDG-QQXSKIMKSA-N 401.510 5.138 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)c(C)c3)nc2c1 2053126 ICWMMUTWUCVMMQ-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB CCOc1cc(N2CCOCC2)c(OCC)cc1/N=C/c1ccccc1C(F)(F)F 3233464 XAAIZMHCVYKELN-CVKSISIWSA-N 422.447 5.090 30 40 HKEB O=C(Oc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)cc1)c1cccnc1 3262334 JIIXYWJLTGORHH-MTDXEUNCSA-N 405.457 5.172 30 40 HKEB CC(C)Oc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 3664867 NDNKNSMDPDFLCV-SSDVNMTOSA-N 403.345 5.799 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 4460391 UMTNXSOYNXUORQ-DIHMQSKWSA-N 406.570 6.043 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)c1 4696379 VZIYRXPUFGQGRK-HAHDFKILSA-N 414.530 5.774 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1O 4827750 CMDIFHILGNCBOO-ZMOGYAJESA-N 404.857 5.110 30 40 HKEB CC1=Nc2cc(C)c(C)cc2N2C1=CC1=C(C(=O)c3cc4ccccc4cc3C1=O)[C@H]2C 5552869 SGGYTTHSALQSIX-QGZVFWFLSA-N 418.496 6.031 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 5603586 NUYWIYCVSFSVOV-IZZDOVSWSA-N 409.533 5.631 30 40 HKEB CCCSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N 6386787 GSSOTZWVNKXANF-UHFFFAOYSA-N 401.251 5.904 30 40 HKEB CCN(CC)c1ccc(/C=C2\SC(=O)N\C2=N\c2cc(C(C)C)c(O)cc2C)cc1 28294959 WIFAODYNSCSBDI-XKZIYDEJSA-N 423.582 6.198 30 40 HKEB Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3ccccc3Cl)nc2c1C 35291971 JGZIYTHJSDDFNI-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nc4ccc(C)cc4s3)nc2c1 57775099 DBCVUGUJZZJZNO-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C#N)c1-c1ccc(C(C)C)cc1 100925224 AKTMAMNFRRATQY-USNOLKROSA-N 420.534 5.180 30 40 HKEB CCCCCCCCCC[C@@H](C[N+](C)(C)Cc1ccccc1)[C@H](O)c1ccccc1 104333505 JSGIDDVOFJXXTI-WUFINQPMSA-N 410.666 7.144 30 40 HKEB CCCCCCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 105345453 WRAXOIQDWXAALT-UHFFFAOYSA-N 421.379 5.492 30 40 HKEB CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408884909 ZBBDZXMWCZNLLG-PGMHBOJBSA-N 410.539 5.546 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl 409075949 ZFLFACFPQRJSEX-MOSLJXCSSA-N 415.799 5.890 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccn3-c3ccc(Cl)cc3)c2C#N)C1 409086484 QUFGEFDMAYWKAS-ZXSUQFSISA-N 421.997 6.965 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409129119 IUAWYJPPENHMGL-GZTJUZNOSA-N 424.349 5.622 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 409211629 MEOBIFWKFGDBGB-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409215976 GZRIRTKZYMYPSZ-BRJLIKDPSA-N 404.268 6.471 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 8416121 DSPSZPOLJMIHNO-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(C#N)c2)C1 8636068 SPSHMHBLOYOLSW-JWQCQUIFSA-N 410.565 5.686 30 40 HKEB biogenic,in-vitro O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)nc1)c1ccc(C(F)(F)F)cc1F 8762108 YGGUQXMICWCOSL-UHFFFAOYSA-N 413.292 6.156 30 40 HKEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 9341388 YLRCXSNOHXHXRZ-SMDHAYCWSA-N 412.441 5.320 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 9423650 KVAHEMVQXZHXNT-UHFFFAOYSA-N 418.415 6.079 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)c2C#N)C1 9596164 XGNREDOUUDQPJD-LBPRGKRZSA-N 411.527 5.188 30 40 HKEB O=C(C/C(C(=O)c1ccccc1)=C1\c2ccccc2-c2ncccc21)c1ccccc1 18120814 DXTFXQKEQHMRMB-LCUIJRPUSA-N 401.465 6.020 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@@H](c2nnc(CC)s2)C1=O 33547068 WWVHKLBISOKRDG-NQDHANQRSA-N 423.563 5.460 30 40 HKEB CCn1c(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)nc2ccccc21 408692308 JNEFSDHOPIWRNN-MFKUBSTISA-N 404.901 5.735 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccccc1 408910762 KRIRPTVVYVAMCM-NVZLDUMVSA-N 410.539 5.496 30 40 HKEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl 409094116 CBWSHXJKBGGNNV-LSHDLFTRSA-N 404.257 5.150 30 40 HKEB C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(Sc2nc3ccccc3[nH]2)o1 409186426 BWSSZEDGMZWBAF-KOEQRZSOSA-N 410.502 6.479 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409218251 ZPTYYLFPKHWGPH-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c(C#N)c(C)c1C 688334 JEQULRULRKFPIN-UHFFFAOYSA-N 417.559 5.800 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccccc1C(F)(F)F 720610 IAZGPNHXSNGOFF-JOCHJYFZSA-N 422.450 6.454 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 729676 CVMSTRYYZJICQN-NFQMXDRXSA-N 422.553 6.881 30 40 HKEB CCOC(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C#N)c1C 2748643 ORUPCWLFMQQBBO-UHFFFAOYSA-N 418.518 5.266 30 40 HKEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/c1ccccc1Cc1ccccc1 3216183 HMLPNHCZUASLMR-JVWAILMASA-N 420.343 6.829 30 40 HKEB C=CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 4739946 WGDPXMGIRGMKDQ-MUUNZHRXSA-N 414.508 6.719 30 40 HKEB Fc1cc(Oc2ccccc2/C=N/OCc2c(Cl)cccc2Cl)ccc1Cl 8782082 GGHKYDPXUYTETC-OPEKNORGSA-N 424.686 7.129 30 40 HKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 8991971 SBOOABJEUAJZLT-AWEZNQCLSA-N 422.491 6.554 30 40 HKEB C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 11866341 FHWGCJPLMADMKV-UHFFFAOYSA-N 420.818 6.143 30 40 HKEB biogenic Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4ccc(Cl)cc4)NC3=O)c2C)cc1 13635224 RLJDRODNRDFUTE-FYJGNVAPSA-N 421.953 5.948 30 40 HKEB CCN(CC)[C@@H](CNc1oc(COc2ccc(Cl)cc2)nc1C#N)c1ccccc1 32624580 DOXGJXVQJDHPBS-NRFANRHFSA-N 424.932 5.274 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(C)CC1 50861249 IVYFQEPXGXRVJS-UHFFFAOYSA-N 416.613 6.807 30 40 HKEB CC(=O)O[C@H]1CCC[C@H]2CC[C@@H]3[C@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@H]3[C@]21C 245238397 NCAXLVUROKVMHK-PTRISVLNSA-N 420.593 6.380 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 408587783 HIENTWQKOKEKCI-WSDLNYQXSA-N 421.482 5.067 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 408908431 DXCJFJMPZXVFTM-MJXRXHBSSA-N 410.539 5.415 30 40 HKEB Cc1cccc2c(/C=N\Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(C)n(C)c12 409038777 VULSMJJXUIOZAU-FEDGQQDLSA-N 417.328 5.816 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409073229 GFGHARBAIBPKPQ-KGENOOAVSA-N 409.507 5.195 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1cccc(Cl)c1 409115585 MVOLQQOQJHGIAC-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB C=CCOc1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 409117048 PZKGKTIQANUQPM-UHFFFAOYSA-N 410.311 6.418 30 40 HKEB CC(C)NC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 803847 WEYPUFUCBFSMAB-UHFFFAOYSA-N 411.527 5.105 30 40 HKEB CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1 817947 VNIKSDPLWLNDCR-HSZRJFAPSA-N 420.597 6.346 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(I)cc2)cc1 4863045 BGMCDGRPDQXNCM-GIDUJCDVSA-N 410.254 5.854 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(-c2cccc(Cl)c2)o1 5543122 JTGFSOZNHSYUQT-CSKARUKUSA-N 409.268 7.410 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1 5669714 RLVLDGOPPVRHNF-STBIYBPSSA-N 414.464 7.257 30 40 HKEB Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCCCC1 6615630 AIZKWVVUHILAFS-OVVQPSECSA-N 404.941 6.377 30 40 HKEB O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl 6890059 JZXSCUVJEOFWEY-MDWZMJQESA-N 403.692 7.335 30 40 HKEB C/C(=N\N1C(=O)c2ccccc2N[C@@]1(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12546689 IBULJIUOFKKIJU-QNBNLKTOSA-N 424.331 6.158 30 40 HKEB CC1[C@@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@@H]12 13739016 SOTMWCFQLUSXKP-JFJDKTSWSA-N 415.503 6.062 30 40 HKEB COc1ccc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)cc1OC 13915619 PZBAOMYBAOJSBC-VWLOTQADSA-N 413.517 6.167 30 40 HKEB CC1(c2ccccc2)CC(/C(=N\OCC(=O)c2ccccc2)c2cc3ccccc3o2)C1 15230064 YKASQIOIJJMTKT-ORIPQNMZSA-N 423.512 6.404 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 80342432 AVWJZXUEQFMBRC-PELGXNCJSA-N 402.663 6.456 30 40 HKEB CCCCCCCc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)o1 97960062 MLRXGHXFGNZWGA-UHFFFAOYSA-N 416.315 6.468 30 40 HKEB O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCS1 101461089 LBCBRTKXAHUXNU-PWHKKFIBSA-N 424.543 5.044 30 40 HKEB COCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1cccc2ccccc12 105789807 ZFGYJCPXJUHFOL-YVADOFBFSA-N 422.937 5.744 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OC 213159371 SPNPHJMZNBPKGN-FTJNEJEMSA-N 424.566 5.670 30 40 HKEB O/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 253567674 KIIHTAQJZISRSQ-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408536235 YVDHYVFPYSGXSH-YVLHZVERSA-N 405.903 5.450 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 408861108 NFKWCUJJEFNADG-FOOFIWMSSA-N 410.970 6.523 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408895746 OCIBGFXULSILPI-HAHDFKILSA-N 410.498 5.893 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Cl)c1O 408906150 HUIYKMCTUXQBTI-SLHJDRLVSA-N 402.903 5.067 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1c(C)cccc1C 408906741 JZZLSSITQXMIEH-JRLDGGGSSA-N 415.356 5.690 30 40 HKEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 408993516 VWFXWWKCGOYDTC-ATVHPVEESA-N 407.520 5.334 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 409082949 KEBKFWAOTCJHFR-CIRUFVMISA-N 410.583 6.319 30 40 HKEB CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 409083149 UWURRWSOPPGFFG-QFEZKATASA-N 408.523 5.299 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 409155747 MLUVYELDNFOUIY-JAIQZWGSSA-N 404.422 5.194 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 409211788 OFWKVXGPGZLRPQ-KOEQRZSOSA-N 401.487 5.667 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccccn3)c(C#N)c(-c3cccs3)c2C1 663485 FDPZALKHHMSFIB-MRXNPFEDSA-N 419.619 6.520 30 40 HKEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)Nc3ccc(OC)cc3)cc1)C2 1448492 JUSXJWVIGGBYPV-BVZFJXPGSA-N 404.510 5.269 30 40 HKEB CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)cc1OC 6319263 DROKUOCAQFTPIT-DHZHZOJOSA-N 403.503 6.198 30 40 HKEB C/C(=C/c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H](O)[C@@H](C)[C@H]1c1ccccc1 6441821 VFUSIMKKWNMEOO-YSCAVREZSA-N 410.557 6.244 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 15224578 LFSRLZQTXGMGOR-FOKLQQMPSA-N 415.349 6.457 30 40 HKEB Cc1sc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(C#N)c1C 25899375 VNLUGTWMZYIJKT-UHFFFAOYSA-N 412.518 5.401 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3/COc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 33422035 MHNUQSIFYJMURY-ATVHPVEESA-N 403.459 5.713 30 40 HKEB FC(F)(F)c1ccc(Cl)c(N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)c1 33957788 IFRFYXHXISNSDX-CCPXZDFDSA-N 416.830 6.699 30 40 HKEB COc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59249635 QFDKRZGTUQNGJQ-SRZZPIQSSA-N 422.731 6.606 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 83309947 QGBXTYKSXLUNJO-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCc1ccc(/N=C2\S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1 101504600 WNFCAXDYDYQIIQ-QMSJJHEMSA-N 408.567 5.923 30 40 HKEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611785 NEICJXJGRJZJFY-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@H]12 253499666 KPMMIZLQECJQJE-ZXJFKYCISA-N 407.554 6.590 30 40 HKEB biogenic O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(Sc2ccccc2)o1 408766139 PFOUWYPYYRMFPW-ATVHPVEESA-N 412.923 5.976 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 408906104 ANEILDQBZAHEND-BUJIVHCTSA-N 410.542 6.608 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 409214796 UOZLQIDYKQGDNV-VULFUBBASA-N 414.332 6.894 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2cccc(F)c2)o1 1531385542 MAEREAQDICPOTF-JVWAILMASA-N 409.420 5.345 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 2199185 DCQBXIAHENZUTI-IIGRLWHBSA-N 407.564 5.536 30 40 HKEB CCOC(=O)c1c(/N=C/c2c[nH]c3ccc(Br)cc23)sc(C)c1C 3238726 WWPRZBFNJYCSTC-ZVBGSRNCSA-N 405.317 5.536 30 40 HKEB Ic1ccc(/N=C2\NC3(CCCCC3)Cc3ccccc32)cc1 4492374 FQJKDEJLRGEVPE-UHFFFAOYSA-N 416.306 5.218 30 40 HKEB CC(C)(C)c1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 5293128 ASRFRXSVYHLOEA-WSDLNYQXSA-N 414.462 5.250 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 5988405 QEIXTWUUHCGFEL-NRFANRHFSA-N 403.865 5.431 30 40 HKEB C/C(=N\Oc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 8781627 HSGBVQOQWPYTHM-KIBLKLHPSA-N 415.198 6.470 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 9109481 OUTPPGOEBVUWBY-FQEVSTJZSA-N 407.828 5.262 30 40 HKEB N#Cc1cccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)c1 9196782 JRBRRGVHDUYBNT-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB COc1cccc(C(=O)/C=C/c2csc(N(C(C)=O)c3c(C)cccc3C)n2)c1 12768580 SFICSOMDNAZZKT-VAWYXSNFSA-N 406.507 5.349 30 40 HKEB Cn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 28182472 OJANZNVABBGMPQ-MSXFZWOLSA-N 415.876 6.027 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 102561888 BNWGJBHEUQEPBK-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB C=C1C[C@@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104077388 CTODNONTMIKMLW-ACHIHNKUSA-N 424.543 7.016 30 40 HKEB CCOc1cc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)ccc1OC 408737117 KBLVNMPJIVDGGP-OVVQPSECSA-N 411.505 6.006 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408910423 IFPIYIQBFBBHMH-NVZLDUMVSA-N 410.539 5.503 30 40 HKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 408934682 BOHDZTULUFKLGE-FNLKJQLKSA-N 408.545 6.971 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1 408954816 VIWKHQBTUYKADY-IBORXNHRSA-N 417.534 5.337 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 409077782 GEEBCBYPJMEYHA-TXFBGOCOSA-N 421.349 6.016 30 40 HKEB N#Cc1ccc(Cn2cc(/C=C3\Sc4ccccc4NC3=O)c3ccccc32)cc1 409106371 RPLXTXWBMVNRCL-CFRMEGHHSA-N 407.498 5.647 30 40 HKEB CC(C)N1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409124011 JSOOJWANLBFCHI-NHDPSOOVSA-N 401.491 5.006 30 40 HKEB CC(C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409291375 BBGCTPOKARDBRE-UHFFFAOYSA-N 423.944 5.767 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 409332681 QXDFBEZVBLNRNB-UHFFFAOYSA-N 416.333 6.476 30 40 HKEB CCCCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409386289 DRQGZGVYFIVNPM-VJIXSGFZSA-N 419.594 6.038 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(F)cc2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875647 ZDDWWXCLXDKKJT-GJLBYMJHSA-N 402.437 5.254 30 40 HKEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1c(Cl)cccc1Cl 948150 UJSBBUHCFSIYBT-ZVBGSRNCSA-N 423.325 5.026 30 40 HKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 1300496 RCTPALLYQPNCHF-LSHDLFTRSA-N 404.691 6.184 30 40 HKEB N#Cc1c(NC(Nc2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 2315732 GHSYGVQWRYTHSS-UHFFFAOYSA-N 409.355 5.436 30 40 HKEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCC2 3625108 FASHUEXFUKRQNM-UHFFFAOYSA-N 404.922 5.737 30 40 HKEB O=C1/C(=C/c2ccc(F)cc2)CC[C@@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccc(F)cc1 4023228 XZPGAROSGKQXQY-SQUVQGPBSA-N 424.487 5.738 30 40 HKEB C=CCOc1cccc(NC(=O)C[N+](CCC)(CCC)Cc2ccc(Cl)cc2)c1 4683499 BXVWIRHVVNUBBD-UHFFFAOYSA-O 415.985 5.680 30 40 HKEB CC[C@H]1CS/C(=N\c2ccccc2C)N1C(=O)[C@@H](C)Oc1ccc(Cl)cc1 6584963 KRIMDSIDXSWQRU-BEZAVKKWSA-N 402.947 5.457 30 40 HKEB CCCCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2F)cc1 8383596 YQPQQLMKYHHBQX-UHFFFAOYSA-N 402.506 6.573 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 8449940 UFFPJNLAWXTYOJ-SGNKAXLRSA-N 411.542 5.268 30 40 HKEB Clc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 9195112 GYQDFFRHYGHLGD-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 9422174 MUFLBOONQJVDOY-QALBFBLGSA-N 421.496 6.370 30 40 HKEB CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](C)CC1=O)N2 22608419 NJKUEUYWKPMZBK-LHSJRXKWSA-N 418.522 5.060 30 40 HKEB C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 33390007 LLWGNAGAPXUASA-ZKHVIILWSA-N 407.926 5.347 30 40 HKEB CCCn1nccc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 36619586 NTWGOOVKOLVKLF-DVMPOVQLSA-N 404.558 5.330 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 59220140 OTTBOHOBEMNCKS-PDGQHHTCSA-N 414.408 5.857 30 40 HKEB Cc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 95482117 SYSJOGHOSMPWDM-FOCLMDBBSA-N 420.468 6.528 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N(CCC#N)CCC#N 100934574 UPYALJYEZAEIMX-UHFFFAOYSA-N 406.684 6.472 30 40 HKEB CCCCCCCCOc1ccc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 108454400 XIGNXBIZODINNE-SFHVURJKSA-N 409.555 5.905 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225656765 QBVIGAIFUKCFQE-IBGZPJMESA-N 409.599 5.535 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 408588315 BERULFJRPOEXFR-VULFUBBASA-N 410.433 5.020 30 40 HKEB COC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)ccc1Cl 408723033 LLVLDQHHYMHUTP-SSDVNMTOSA-N 411.870 5.442 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 408740589 HEERIURGKKLQAP-PXLXIMEGSA-N 417.534 5.384 30 40 HKEB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)/C(=C\c2sccc2C)C1=O 408892098 GAIFDENGCZJZMX-DHDCSXOGSA-N 408.306 5.241 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 408917790 BDSYUFBGBOOKPW-STBIYBPSSA-N 401.469 7.026 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl 409083143 RZZBURNQUDVOPB-UYRXBGFRSA-N 424.283 5.917 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 409119794 UGPGUUKSELKDLT-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409153646 IMMCJWWIVUAKFV-ZVHZXABRSA-N 420.493 6.101 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 409208787 DIQVVLZXGMLHPJ-RGVLZGJSSA-N 407.105 5.283 30 40 HKEB C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)O)ccc1OC 2037854286 HMBSYDPWUMNMQJ-MGXMAZEZSA-N 414.929 5.802 30 40 HKEB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 1471616 LVHRNDXGWNGGAF-UHFFFAOYSA-N 406.338 5.178 30 40 HKEB O=C(c1ccccc1)[C@@]1(c2ccccc2)O[C@@]1(C(=O)c1ccccc1)c1ccccc1 1660091 VHTHEVZGLMYPQQ-VSGBNLITSA-N 404.465 5.573 30 40 HKEB C=CCOc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OCC=C 2070901 FPQIEMNIEDUARA-JCMHNJIXSA-N 411.457 5.314 30 40 HKEB Cc1cc(-c2ccccc2)nc(OCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N 2180832 MXLMQMCATZHJQZ-UHFFFAOYSA-N 404.469 5.857 30 40 HKEB O=P1(N/N=C/c2ccc(F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3201817 VOXDKGQSXLQIEE-MFKUBSTISA-N 404.381 6.055 30 40 HKEB CCN(CC)c1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 4331946 VIEVYLBKXRYJIY-PTGBLXJZSA-N 410.517 6.406 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@H]2c1ccc(Cl)cc1 4597888 GMGKOTSVYHTXKL-QHCPKHFHSA-N 420.940 5.893 30 40 HKEB Cc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C 4713912 YFLWRQAYGPEVOD-LPYMAVHISA-N 414.290 5.758 30 40 HKEB Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1 5416083 WFSLDCFWEJNBSH-WYMPLXKRSA-N 403.334 6.399 30 40 HKEB O=C(/C=C\Nc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc2ccccc2c1 6927289 OZXWFIVRPXHPEM-PFONDFGASA-N 411.888 6.533 30 40 HKEB C=CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21 7098340 WIJLZKSDEAKXIA-QFIPXVFZSA-N 419.575 5.282 30 40 HKEB Cc1ccc(-n2c(N/N=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 12650480 RHMVUUYLKOEVRN-MFKUBSTISA-N 414.534 5.080 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13016316 MTWOOBBTTQYOOZ-VQHVLOKHSA-N 420.227 5.431 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N\c3ccc(Br)cc3)o2)c1 14922977 SYQHXVITBCTHFH-JMIUGGIZSA-N 405.635 6.021 30 40 HKEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)o1 32999858 VGOLUVORCVGLMC-UHFFFAOYSA-N 403.413 5.445 30 40 HKEB O=C(/C=C\c1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1)c1ccccc1O 33376470 YGMPRRIWRGHBBR-TWGQIWQCSA-N 403.312 5.475 30 40 HKEB CCCCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O 59268486 YNMWHTJDIIHECY-JOCHJYFZSA-N 408.494 6.043 30 40 HKEB Oc1ccc(Br)cc1/C=N\c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 83333845 GZHBNBLEZFDNRE-YSMPRRRNSA-N 424.382 6.664 30 40 HKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)nc2c1 100503075 UOXZZFZZOZVHNT-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB COc1cccc(C(=O)/N=C2\c3ccccc3CN2c2cc(Cl)cc(Cl)c2)c1 102934240 USRLXYFLOOQIFX-NJNXFGOHSA-N 411.288 5.609 30 40 HKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1c(F)cccc1Cl 103371913 YLGUTPBCCCSCPP-SJRYHTTRSA-N 414.720 5.729 30 40 HKEB COc1cc(/C=N/c2ccccc2C(C)C)ccc1OCc1ccc(C(=O)O)cc1 147168583 PKGOISNIEAQMBU-CVKSISIWSA-N 403.478 5.846 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 225769146 AGTZTBGVQZIGNM-DEOSSOPVSA-N 402.563 5.944 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1 408813239 QHQOAQSQADZXLK-ZHZULCJRSA-N 409.507 5.059 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O 408910639 XLOSWPMFKDMNCR-LVCNHQDNSA-N 414.530 5.542 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408939159 IBIKLMCBTDNXTK-BHGWPJFGSA-N 401.293 6.158 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)c1 409066779 CMNILBWGXDERRP-NLRVBDNBSA-N 402.494 5.383 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409208676 DRZYMBDNHUTCTO-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409209032 FAUMJINMSNQZQK-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCC3 2215835 OPTGCOSCMOEQEH-UHFFFAOYSA-N 423.390 5.732 30 40 HKEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCCC 4066489 ODBHYQUSXJKAIX-HSZRJFAPSA-N 423.553 5.199 30 40 HKEB CC1=C/C(=N\N=C2\N=C(O)[C@H](CC(=O)Nc3ccc(C)c(C)c3)S2)CC(C)(C)C1 4576665 KETIDCSLGGCMIB-WLXKGNRNSA-N 412.559 5.182 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 6782995 FDAHVWWXTICVJP-NRFANRHFSA-N 422.481 5.062 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1 8385904 YTXWEGSCPKPUCC-VYYCAZPPSA-N 421.460 5.592 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)nc1 12311475 KCVGWOUTZSJRLV-NCELDCMTSA-N 416.695 5.649 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1O)C1=C(O)c3ccccc3C1=N2 18113360 QDSNONQSXZUXAS-GOSISDBHSA-N 422.278 5.031 30 40 HKEB C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 20188858 HBDNRZQPLWTKBH-OOAXWGSJSA-N 403.957 5.549 30 40 HKEB O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)Nc1ccccc1 33879261 OLJVVIAVEXHSCY-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB CCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 50860546 JTDLCEIJFSKVCG-IBGZPJMESA-N 405.542 5.536 30 40 HKEB CCCCCCCCCCCCCCc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1 59663853 BRDXVHOZHLGFCI-BYNJWEBRSA-N 421.625 8.379 30 40 HKEB CC(C)COc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c2ccccc12 108971575 MFGHDKMUPMKQFO-QSXAEAPWSA-N 408.548 5.749 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1cccc(F)c1 223677991 WRPRQQHDSGQHLX-UHFFFAOYSA-N 400.482 5.106 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc2ccccc12 408593507 QFOJUDFVCHDLLR-STBIYBPSSA-N 422.484 5.850 30 40 HKEB Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Br)cc2)cc1 408691671 LAYNCTPGULBCFC-NTCAYCPXSA-N 407.307 6.233 30 40 HKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408857919 QCOYBVOJFHOAAI-MYKKPKGFSA-N 410.857 5.203 30 40 HKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 408911678 NSCAHXYMSYXANA-OBUXZSPNSA-N 414.530 5.890 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)Nc2ccccc2)C1 409081374 KNHMSJFCMNRAFO-ZQZJVFIWSA-N 417.578 6.297 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1cccc(Cl)c1 409110855 ZCKYXKQLYBKEFT-UHFFFAOYSA-N 407.941 6.658 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1cccc(Cl)c1 409116547 VLIFVIRZFQLLTQ-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1Br 409216920 MKCYCZXAOINEOD-FSJBWODESA-N 411.299 5.614 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S/C=C/C(=O)c1ccccc1 1041237 JJHNYZCQOJJCBH-CSKARUKUSA-N 416.449 6.189 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1cccs1 1076707 FDGPNWLFWZWBGE-OAHLLOKOSA-N 419.468 5.931 30 40 HKEB CC(=O)OC1=C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)CC(C)(C)C1 2294577 MBNUYNRJAIEFPR-OAQYLSRUSA-N 408.494 5.012 30 40 HKEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 4363587 KMYSTACCJFWPNY-RBDMOPTHSA-N 415.985 5.046 30 40 HKEB Cc1cccc(OCCCOc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2)c1C 4548792 AMJBZVOFBMWLNT-KOEQRZSOSA-N 419.481 5.506 30 40 HKEB COc1ccc(CCN=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 4575688 BGSWZXSRYMKRQH-UHFFFAOYSA-N 414.332 6.091 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc2cccnc2c1 4710543 RQNQZVPVKYCLGD-DEOSSOPVSA-N 405.501 5.984 30 40 HKEB CC(C)(C)[C@@H]1C/C(=C\c2cccs2)c2nc3ccccc3c(C(=O)OCC#N)c2C1 6615461 XOKYDKORXGJSCJ-FYPAKXHLSA-N 416.546 6.126 30 40 HKEB Cc1cc(C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 59369230 ZWBUBTICCQQSCD-MRXNPFEDSA-N 418.806 5.046 30 40 HKEB Oc1ccccc1/C=N/c1ccc2nc(C(c3ccccc3)c3ccccc3)sc2c1 59474869 KJVAAXPTGZTXIK-MTDXEUNCSA-N 420.537 6.933 30 40 HKEB CCCCCCCOC(=O)C(=Cc1ccc(O)cc1)C(=O)OCCCCCCC 59664094 IVDQZWZVAKWDAN-UHFFFAOYSA-N 404.547 5.803 30 40 HKEB CCCCCCCCCCCCCCCCc1c(C(=O)OC)nc(=S)[nH]c1O 73293310 DXEKVIVVAIASET-UHFFFAOYSA-N 410.624 6.655 30 40 HKEB N#Cc1c(-c2ccccc2)c(/N=N\c2ccc(Cl)cc2)c(O)n2c1nc1ccccc12 103735275 OTGJXKPPFCUYFH-ZIADKAODSA-N 423.863 6.801 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 198086185 RVWIKEBILOIGAJ-OQIQZUQJSA-N 418.968 7.605 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)SC1=S 208256853 YLIMKHAWOOLTCJ-AXIYWZQUSA-N 407.004 5.449 30 40 HKEB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@H]12 253499664 KPMMIZLQECJQJE-PVLICHLNSA-N 407.554 6.590 30 40 HKEB biogenic Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408528747 FGSJVVDBEBHGSC-JCMHNJIXSA-N 400.503 5.466 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 408709642 VXYBDOMZJBULHF-UHFFFAOYSA-N 400.485 5.681 30 40 HKEB C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 408817706 NUCYKFNNIWKOJX-PGMHBOJBSA-N 419.502 5.067 30 40 HKEB C=CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OCC 408927782 XYILQNSAHHTENB-UHFFFAOYSA-N 421.537 5.083 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC 409202384 SEUTUFOMFPTLHD-WSDLNYQXSA-N 408.723 6.125 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C#N)C1 673733 FOGIYLJIRIFPGI-NSHDSACASA-N 417.918 5.585 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 1445596 DITRHTVVQVXPDB-DIFDQGGFSA-N 409.489 6.480 30 40 HKEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 2100165 ZEQSZDYKLRVEJK-QFEZKATASA-N 400.474 6.014 30 40 HKEB biogenic C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2196786 OMTXCISLDSQNMA-UHFFFAOYSA-N 406.617 5.558 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O 2408890 LCULOJAMQGFCOM-GRSHGNNSSA-N 417.313 6.559 30 40 HKEB COc1cccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c1 4410044 WGBDAYGWZXTKJN-AUEPDCJTSA-N 411.836 5.937 30 40 HKEB CCOC(=O)[C@@]1(C#N)C(/C=C/c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 4670939 DWJUYFSZVXMKOE-SXHHMEEUSA-N 421.500 5.390 30 40 HKEB CCC[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 4888673 MWGUENIFBORDOX-LPKHAAKTSA-N 415.562 5.782 30 40 HKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O 5046966 HYFAIRGWDWHOPX-UHFFFAOYSA-N 410.486 5.572 30 40 HKEB CN(C)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1 6399139 PTWZGVXKEQFRBH-TWJFAJFWSA-N 415.581 5.789 30 40 HKEB Cc1c(C(=O)/C=C/c2c(C(F)(F)F)nn(C)c2Cl)c(Cl)nc2ccccc12 8762029 WDMARQNDPCQHBO-BQYQJAHWSA-N 414.214 5.498 30 40 HKEB C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 15084777 JMLZQDODQCGOCS-INIZCTEOSA-N 405.475 5.152 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCC)C2=O)cc1OC 17094071 KASCGXRAVPMECK-FTNPDODUSA-N 424.566 5.888 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 26522802 HKXBNHCUPKIYDM-HAEQLYIWSA-N 412.658 6.612 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 28182461 PTOXLSIGILQCHH-ZMFRSBBQSA-N 409.485 5.990 30 40 HKEB CCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 100530884 JHUUKIFPNQYKRT-UHFFFAOYSA-N 421.050 8.103 30 40 HKEB CCCCCCCCCCOC(=O)C[N+]1([C@@H](CO)Cc2ccccc2)CCCCC1 105020880 MVWUYYXVAVUIKX-RUZDIDTESA-N 418.642 5.275 30 40 HKEB COc1ccccc1C(=O)/C=C1/C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 210868756 XBBNZGWNCBWFDK-PDRCNJOPSA-N 423.556 5.731 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc21 223483869 XDVQMSIECQSUBF-HMAPJEAMSA-N 417.578 5.989 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl 408964847 SSQKSWLBIZFMFA-MBNTZHJCSA-N 404.894 5.548 30 40 HKEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 409057142 ULTUNNPMGJKBLY-PGMHBOJBSA-N 400.843 5.114 30 40 HKEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc12 409405517 ODTBGVXYGPXPMC-UHFFFAOYSA-N 405.457 5.108 30 40 HKEB C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C 4050431 XAWKBHAPTFFWHC-DHRITJCHSA-N 404.413 5.718 30 40 HKEB Cc1c(/C=N/Nc2cc(Cl)ccc2Cl)c(O)n2c(nc3ccccc32)c1C#N 4112699 JDQAKPAKCSWSHU-YSURURNPSA-N 410.264 5.126 30 40 HKEB Cn1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 4549047 BRLJNRBPIZLCBR-CVKSISIWSA-N 419.594 5.932 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c1 5376573 XEZUMYAPKWFMNU-UDWIEESQSA-N 408.910 6.108 30 40 HKEB C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC(C)(C)C 7040302 YHCYKFAEWKYLQS-JTQLQIEISA-N 413.490 5.096 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 8306515 SZTCFIPIIFKMDY-RUZDIDTESA-N 407.517 6.332 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1 8743530 PJTGDTQTLNEZBM-JOCHJYFZSA-N 416.477 5.198 30 40 HKEB C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 9361361 DAVGTTCBPUSWRB-OYLFLEFRSA-N 416.452 5.485 30 40 HKEB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccc(C#N)c3)c12 9377917 IPUGGMUYVVJTPP-UHFFFAOYSA-N 422.366 5.341 30 40 HKEB CN1CCc2nc(SC/C=C/c3ccccc3)c(C#N)c(-c3cccs3)c2C1 20230571 AFQBEHMUSAOLJJ-WEVVVXLNSA-N 403.576 5.475 30 40 HKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccc2c(ccc3ccccc32)c1 33378805 KXHULQVMFUEBRF-ZCXUNETKSA-N 408.500 8.196 30 40 HKEB Cc1ccc(/C(=N\c2ccccc2)NC(=S)N(Cc2ccccc2)C(C)C)cc1 36293419 YYJRTUURWJLHJC-UHFFFAOYSA-N 401.579 5.858 30 40 HKEB Clc1ccc(-c2nn(-c3ccccc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 59483113 QAEQRFSHVLPWFK-DHRITJCHSA-N 401.853 5.672 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(O)=NC1=S 96477492 ZIOSTZATYYMAIS-UVTDQMKNSA-N 420.968 5.206 30 40 HKEB N#Cc1c(/C=C/Nc2ccccc2)nc2c(c1-c1ccccc1F)C(=O)c1ccccc1-2 100922340 UEMGJHIHZMOSGL-CCEZHUSRSA-N 417.443 6.054 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102634474 UFFPJNLAWXTYOJ-HTUUBCJYSA-N 411.542 5.268 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2ccc(OC(F)F)cc2)c1 103028905 IPLYBLSZOJQQFG-GFMRDNFCSA-N 404.482 5.560 30 40 HKEB C=CCOc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cccc1OC 408536066 XRRSKCGJQKBXGZ-GZTJUZNOSA-N 417.939 5.319 30 40 HKEB N#Cc1c(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)sc2c1CCCC2 408814058 PSSCGPJLYNINSD-CCVNUDIWSA-N 413.521 6.391 30 40 HKEB Cc1oc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C#N)c1C 408949240 FDNKHLCQZVCCNP-WYMPLXKRSA-N 409.283 5.860 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl 408966100 YYJRKKPUCGEVRJ-KZKLBEMASA-N 416.930 5.418 30 40 HKEB Brc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc12 409212070 PTLCJKPYWIQOHX-WGOQTCKBSA-N 416.318 6.932 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 1034617 FSNAXJSDKYKURI-QFIPXVFZSA-N 417.940 6.035 30 40 HKEB COc1ccc([C@H](C#N)c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 1389531 DTSHWHKHOGUNEM-ZDUSSCGKSA-N 411.305 5.331 30 40 HKEB CCCCCCn1c(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)nc2ccccc21 2157146 RTRFYPABSIIFKF-WPWMEQJKSA-N 415.537 6.698 30 40 HKEB C=CCSC1=N[C@H](c2ccccc2)N2C(SCC=C)=N[C@H](c3ccccc3)N12 2269534 XMUOHOCVMIOUES-PMACEKPBSA-N 406.580 5.481 30 40 HKEB O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 3169583 SOZPRJAJILAUGU-HRLJDNPUSA-N 403.825 6.472 30 40 HKEB COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 4550913 KBJSKRQKNHIKRH-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 4889293 WTXCCRJQCPCOEX-ARGSHCIWSA-N 409.555 5.028 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N/Cc3ccco3)N(c3ccccc3)C2=O)cc1 5586287 VKABXFCOTKIOJZ-BRBBDLJVSA-N 403.507 5.023 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc([N+](=O)[O-])cc1 6474356 AUSYYBDTNNUANK-UHFFFAOYSA-N 423.497 6.488 30 40 HKEB C=CCOc1ccc(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809652 JSDREJJAZPXZEM-UHFFFAOYSA-N 404.443 5.306 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCCC1 8823636 LGPDWRIMQWEPRA-GRSHGNNSSA-N 404.293 5.301 30 40 HKEB CCCc1nn2c(/C=N/Nc3nc4ccccc4s3)c(-c3ccccc3)nc2s1 41074077 AXPVIEQRMVCINC-LPYMAVHISA-N 418.551 5.466 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 59500701 JXJSWIVUPOKEDO-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@@]21C 118934660 HANWTWIRKYRHGG-XHPRSFQESA-N 414.674 7.729 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 408908488 FGOGQLWSYCUTPO-AIQBXGKYSA-N 400.503 5.894 30 40 HKEB COC(=O)c1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1C 409087216 BFIIQDGXWOTNHF-JFLMPSFJSA-N 403.522 5.706 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N/c1ccc(OC)cc1 409220644 CQPKKPKSNYLXNZ-KOJZBUGZSA-N 423.357 5.143 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409379145 UUJBWCDSHDAAMM-WKTMJKCCSA-N 414.549 6.585 30 40 HKEB CC(C)Oc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531383895 APWDUNDSALIDDD-CVKSISIWSA-N 417.896 5.386 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccnc1 1440861 ONOMGONSMOUWHV-OAHLLOKOSA-N 414.427 5.264 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3 1759983 MHRDEBFAHYKZGU-JOCHJYFZSA-N 412.580 5.275 30 40 HKEB C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(C(F)(F)F)c1 2616885 WFXLFKSSLIQPFY-NBQCUNBESA-N 401.413 5.394 30 40 HKEB Cc1ccc(C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2671074 SQZLWYCQCMQGPS-KFHWJWAOSA-N 406.938 6.027 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1C 3112519 YZNBIJUGTADXDA-ZVHZXABRSA-N 408.295 6.036 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)Cc1ccccc1 4217533 WIJSFCWRMNIREB-ZLQWOROUSA-N 406.566 5.673 30 40 HKEB biogenic,in-man CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1 4572828 NPTIUJHQTGWUKR-VHAJSEAWSA-N 423.582 5.407 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 5224628 PSUHWZLQBNTFEV-DNOBIOAJSA-N 405.501 6.147 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 5901676 HPCHCNRTELNVOO-CYBMUJFWSA-N 402.947 5.442 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=N)[C@H](c2nnc(CC)s2)C1=O 5988023 DWRBJSDIUHFJTD-WDGURZEJSA-N 409.536 5.070 30 40 HKEB COc1cc(C#N)ccc1OCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C 9395349 JCUHPHBGYRPUHF-UHFFFAOYSA-N 415.493 5.131 30 40 HKEB O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(I)cc1 16400600 WMIOBEHPXKSGOQ-BQYQJAHWSA-N 418.658 5.572 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 59194464 VBAMVVOOJNMTOA-ZVHZXABRSA-N 417.490 5.279 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccccc3C)c(C)c2s1 72228763 CYLZBAXGQQKNCY-MYYYXRDXSA-N 410.543 5.437 30 40 HKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c(C)c1 101650630 MEABDSLCGBJLNY-BBJJLJPOSA-N 409.555 5.017 30 40 HKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1 408720049 WHYKGNYNKYZZTE-BNUIPMERSA-N 418.949 6.765 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2C)c1 408764800 YIAWVYJCKOECBA-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 408811917 NAGGZIJWGGZUPJ-STZFKDTASA-N 423.534 5.367 30 40 HKEB COc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1 409209622 CWMHODXJPSLXOO-JVWAILMASA-N 411.457 5.876 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409319897 NHWOLMDZOLXTJO-SNVBAGLBSA-N 424.751 5.270 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409330673 LVMKHCVRFRAVCF-HXUWFJFHSA-N 424.545 5.023 30 40 HKEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cs2)c1 585295441 ZKPFAJBMFQCHKL-OAQYLSRUSA-N 414.538 5.362 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O)C[C@H]1O 888075752 LWQQLNNNIPYSNX-RBADCAHNSA-N 412.614 5.091 30 40 HKEB CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 720540 CWMCNCWQQCBBOU-GKVSMKOHSA-N 415.562 5.794 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 2186748 GQRAOXUAJGOMLH-FOKLQQMPSA-N 411.870 6.071 30 40 HKEB Clc1ccccc1N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 4947606 IVYFQXPUTOULOG-CVKSISIWSA-N 412.880 6.385 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1ccccc1C 5454605 RRJGKJZICCCMMB-UHFFFAOYSA-N 414.534 5.269 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 9195662 YYRGHYVQUIDNDK-LSHDLFTRSA-N 404.253 5.594 30 40 HKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O 9304654 HDBCSHZOZPOVFH-KKOPTWAASA-N 423.541 6.281 30 40 HKEB O=C(COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc(Cl)cc1 9340563 AOWNTRIRYLJZKO-JJFYIABZSA-N 408.812 5.357 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 10118947 AAEKISWPIAABMJ-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 32100241 NFPBUCUGLXBOCB-BQYQJAHWSA-N 415.512 5.674 30 40 HKEB CCn1c(=O)c(/C(C)=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(O)c2ccccc21 101161033 KFQIYNNSPPBKHW-LSHDLFTRSA-N 420.252 5.083 30 40 HKEB CC(=O)c1ccc(NC(=O)CSc2cccc(/N=C/c3cccnc3Cl)c2)cc1 215722616 ZIAZOUNZYOBAII-DHRITJCHSA-N 423.925 5.419 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 226336708 OCWLYOZDFOSMJL-QPJJXVBHSA-N 411.256 5.463 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408673432 SCLJXLOFOJEVPR-DHIUTWEWSA-N 424.585 6.002 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O 408806685 BAYMYUCTRPVSBH-HAHDFKILSA-N 412.514 5.360 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409163698 WOCBWJGNNKJALG-HYARGMPZSA-N 412.470 5.587 30 40 HKEB COc1cccc(/C=N/c2ccc(C)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409186896 JEWGGGNGJCDPER-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 409203148 WJIAVNFSNFDIPD-VULFUBBASA-N 414.332 7.030 30 40 HKEB Clc1cccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 409212905 RSGHHPDJSNOJLI-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C(C)C 409213864 VLHNVAFQXPSWIP-ZGNGNRKCSA-N 423.365 6.343 30 40 HKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409229675 STTSPRXMTOKKAU-HJPCULJESA-N 418.312 5.628 30 40 HKEB CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)=C(O)C1 980068 MNSNMKQVZCREDU-UHFFFAOYSA-N 412.526 5.120 30 40 HKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3o2)c1 3033620 BFDZIPBQKZOVMG-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB COc1cccc(/C=C/c2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)c1OC 5656890 CORWZMRVCBDXSJ-CCEZHUSRSA-N 409.489 5.426 30 40 HKEB O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccc(Br)s1 5689673 PEVPGWWSINZLOH-UHFFFAOYSA-N 400.301 5.231 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1F 6535770 VBBOZKVIVMHSKV-CCEZHUSRSA-N 408.432 6.321 30 40 HKEB Cc1ccc(/N=C2/NC3=C4C(=C[C@@]5(C)CC(C)(C)C[C@@]4(C5)S2)CC(C)(C)C3)cc1 6814277 NYCJUKCQRIAGFM-UIOOFZCWSA-N 406.639 7.288 30 40 HKEB C/C(=N\Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc2ccccc12 6997795 MCWATPXYPUZPSC-CVKSISIWSA-N 411.486 5.906 30 40 HKEB c1ccc(/N=C2\Nc3ccccc3\C2=C2\C(Nc3ccccc3)=Nc3ccccc32)cc1 33849212 AFXSTDUJCLHWSC-QPLCGJKRSA-N 412.496 6.909 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c2C)cc1C 34805030 ZIJLSZCERJMCAI-QSXAEAPWSA-N 407.564 5.585 30 40 HKEB Cc1ccc(/C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)=N\O)cc1 100528638 BKRSKBCOLMSQMH-PNHLSOANSA-N 413.473 5.258 30 40 HKEB biogenic Cc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O 100531383 KNOUUNMDVWYQCP-FSJBWODESA-N 407.267 6.022 30 40 HKEB C(=N\N=C(C(=N/N=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 104091111 POINJGXMPFZOEB-CMIMIBBYSA-N 414.512 6.033 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118912402 PRYIJAGAEJZDBO-QOLWHSHMSA-N 402.663 6.600 30 40 HKEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O 409104699 FBLOFWQZKMQNTJ-CIAFOILYSA-N 413.227 5.606 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409211332 IQMQXPHXBYVGHO-DHRITJCHSA-N 424.884 6.203 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 409213208 SSPMMCLFFZJFIZ-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 409229486 PVVJJNXUCVMYCR-SRZZPIQSSA-N 403.663 5.342 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 409255519 LOPOPZXTMJMHAO-UHFFFAOYSA-N 404.595 5.841 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cccc(OC)c2o1 409350653 RXICYEGZHKXCFW-UHFFFAOYSA-N 411.914 5.832 30 40 HKEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 979935 MIYATPGBJMJIGW-WQRHYEAKSA-N 418.301 5.242 30 40 HKEB O=C1c2ccccc2C(=O)N1c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 2088023 OUBJPWUMNVYKCK-UHFFFAOYSA-N 423.309 5.370 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 3140436 PHILFMMEEVFMMS-BOPFTXTBSA-N 415.301 6.145 30 40 HKEB N#C/C(=N/Nc1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)cs1 5023893 PTVBZZQZCRRLDJ-HAHDFKILSA-N 401.264 5.051 30 40 HKEB CCCC(=O)Nc1ccc(-c2csc(N/N=C(/CC)c3ccc(C)cc3)n2)cc1 6782917 XFKOEYYHUHERAW-QOMWVZHYSA-N 406.555 6.083 30 40 HKEB Cc1ccc(/N=C2/NC3=C4C(=C[C@]5(C)CC(C)(C)C[C@]4(C5)S2)CC(C)(C)C3)cc1 6814274 NYCJUKCQRIAGFM-CLJLJLNGSA-N 406.639 7.288 30 40 HKEB O=C1/C(=C/c2cccs2)CN(C(=O)OCc2ccccc2)C/C1=C\c1cccs1 16480270 PNVQIZTXRLTGFH-KLCVKJMQSA-N 421.543 5.498 30 40 HKEB CC/C(=N/N=C(\CC)c1ccc(Br)cc1)c1ccc(Br)cc1 17146824 HESJEUSORFTBEI-QGFZOGOGSA-N 422.164 6.225 30 40 HKEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1 20624602 KPCIPRRONPCYRX-CFFVULROSA-N 401.865 5.033 30 40 HKEB C=CCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nnc1-c1ccccc1 33130638 NAVPPKMALDIUGX-UHFFFAOYSA-N 402.523 5.695 30 40 HKEB Cc1ccccc1[C@H]1C(/C=N\Nc2ccccc2)=C(c2ccccc2)Oc2ccccc21 96113525 ITULBBUZRBTQIP-WVGJAKOGSA-N 416.524 7.029 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 97954712 GFUMYSFOZPNMHD-FQEVSTJZSA-N 419.569 5.926 30 40 HKEB O=C1/C(=C(/Nc2ccc(Br)cc2)c2ccccc2)Sc2ccccc21 100056435 YMOVMTRGZWCQCB-VZCXRCSSSA-N 408.320 6.218 30 40 HKEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224931665 FVXXMCXTKIRECA-UHFFFAOYSA-N 410.244 5.394 30 40 HKEB C=CCOc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225868061 QXFINRXKMSFJBS-UHFFFAOYSA-N 420.500 6.026 30 40 HKEB CC(=Nc1c(C(C)C)cccc1C(C)C)C(C)=Nc1c(C(C)C)cccc1C(C)C 252640457 YUFQUBWPYIPRHZ-UHFFFAOYSA-N 404.642 9.065 30 40 HKEB COc1ccc(-n2cccc2/C=N\c2ccc(I)c(C)c2)cc1 408855687 GIBJWVZPFCIJQK-BKUYFWCQSA-N 416.262 5.150 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 408913005 OYDVVKHPEDNKAP-IHPQQEBXSA-N 422.550 5.574 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408941799 KKOYHZVQUOFXNL-DHRITJCHSA-N 424.884 5.373 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1OC(C)C 409010364 KCIGNUNTTXUGII-YVLHZVERSA-N 402.903 5.027 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409058984 QBKZONLKCYYPPB-BWJYWGHISA-N 405.611 6.430 30 40 HKEB Cc1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)c(Br)c1 409064116 GIPMSZWUHNWCHD-VROXFSQNSA-N 424.220 5.877 30 40 HKEB CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409085395 SEYUJJAQNLLYFT-SQAVSUBZSA-N 400.975 6.573 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1 409320596 DMXFRVJEMCBQNN-SFJSXUGYSA-N 414.303 5.203 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)cc1 997696 IEYJYRCXCDUMSQ-VWLOTQADSA-N 418.537 5.637 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2cccs2)sc2c1CC[C@@H](C)C2 4723887 PHWDDHNIVVRGIB-JMKVTYIUSA-N 410.564 5.946 30 40 HKEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 5520064 JDEHJUYGNHYMHV-CJLVFECKSA-N 401.535 5.578 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(\C)c3ccccc3O)n2)cc1 6014598 AHHGDNUEZFPGSW-OGLMXYFKSA-N 410.477 5.361 30 40 HKEB FC(F)(F)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195555 SOIMBOOPZMTMJB-KIBLKLHPSA-N 413.226 6.396 30 40 HKEB Clc1cc(Cl)c(N/N=C/c2c[nH]c3ccc(Br)cc23)c(Cl)c1 12570661 IBWHAOODESGIRT-QPSGOUHRSA-N 417.521 6.337 30 40 HKEB CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3ccccc3o1)C2=O 32501339 ZIOIEHYPJACOHJ-HMAPJEAMSA-N 405.494 5.685 30 40 HKEB CCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 50860495 RAAQHTWCMDNAML-LJQANCHMSA-N 405.542 5.536 30 40 HKEB CCCCCCCCCCCCn1ccc(O)c(Cc2c(F)cccc2Cl)c1=O 100911079 JESUQIUNIXZQKH-UHFFFAOYSA-N 421.984 6.858 30 40 HKEB O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/c2ccccc2)N1c1ccccc1 101538307 LFMNGFFDCCWSCO-POHHJLCXSA-N 406.894 5.854 30 40 HKEB C=C1C[C@]2(c3ccccc3)C(=O)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104077394 CTODNONTMIKMLW-ROJLCIKYSA-N 424.543 7.016 30 40 HKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 105649296 YHWVKCHCTRIKNZ-CLCOLTQESA-N 419.565 6.678 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC=O)CC[C@@]43C)[C@@H]1CC=C2C#Cc1ccccc1 118915006 AHMJMFJZNJAALU-DCZJRQIWSA-N 402.578 6.159 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 408905601 BNDBCZBPOUZOSA-OBUXZSPNSA-N 414.530 5.890 30 40 HKEB Cc1ccc2nc(Sc3ccc(/C=N/c4ccc(N5CCOCC5)cc4)o3)[nH]c2c1 408931130 HOCORODWBQCQQH-BUVRLJJBSA-N 418.522 5.203 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccccc3Cl)sc1C2 409046804 MKGIGCNFFUILOK-ZVBGSRNCSA-N 419.731 5.889 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 409070582 ZULUWRDQPPIYFQ-ROTLSHHCSA-N 416.403 5.776 30 40 HKEB CCCCCCCC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575330254 ROQKUAHNTXVBAH-KTKRTIGZSA-N 408.295 7.397 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 1440478 PBYQJWUIZBBSHV-QLXKLKPCSA-N 408.526 6.363 30 40 HKEB C#CCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 2208214 IPPGTORKBPGTNP-UHFFFAOYSA-N 404.579 5.194 30 40 HKEB biogenic C=C(C)Cn1c(SCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2334286 PLYABCVMJDHKBK-UHFFFAOYSA-N 408.611 6.137 30 40 HKEB Cc1cc(C)cc(/N=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)c1 2342601 MLGWUOZIQVXYGZ-FRHWEDRMSA-N 408.545 6.259 30 40 HKEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 3098473 OFTJRWBHSQSGCT-JOCHJYFZSA-N 407.897 5.051 30 40 HKEB Clc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 3663820 MCAZDINBWOGMFC-CVKSISIWSA-N 408.284 7.796 30 40 HKEB CCCc1oc(C#N)cc1CSc1nnc(Nc2ccccc2)n1-c1ccccc1 4624052 BBLBBLZGCYLAKN-UHFFFAOYSA-N 415.522 5.720 30 40 HKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 4740321 TZBROLLRLOZKCG-FMAGWPLPSA-N 400.444 6.021 30 40 HKEB CCOc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 4776158 ASRUHRUBDWBCRR-UHFFFAOYSA-N 417.486 5.148 30 40 HKEB CN1c2ccc([N+](=O)[O-])cc2C[C@@](C#N)(c2nc3ccccc3s2)C12CCCCC2 7779468 KNALBRLNDONHRV-JOCHJYFZSA-N 418.522 5.361 30 40 HKEB Fc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 8811984 PJUNYZWJLKCIET-MUFRIFMGSA-N 418.899 6.335 30 40 HKEB C#CCOc1c(Cl)cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 12641453 NRYPHBZJSLTNIL-UHFFFAOYSA-N 414.892 6.085 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C)ccc1C 13306278 AZRNEEIGYHWQIC-ZMPCKTLKSA-N 423.607 6.078 30 40 HKEB C(=C/c1ccccc1)\C=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 17013040 STBXUDANNKPDBL-XAFSWMQVSA-N 402.541 7.309 30 40 HKEB CN1/C(=C\C(=O)COC(=O)C2(c3ccccc3F)CCCC2)C(C)(C)c2ccccc21 18036671 XPEHEVZYFQCMFM-KQWNVCNZSA-N 421.512 5.061 30 40 HKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H](Sc1ccccc1)c1ccccc1 32905218 JQSVKPQPUYPSMR-AREMUKBSSA-N 420.537 5.954 30 40 HKEB N#C[C@H]1C(=S)N=C(c2ccc(Br)cc2)C=C1c1ccc(Cl)cc1 72332264 GEVRAKPUSPMBHN-MRXNPFEDSA-N 401.716 5.456 30 40 HKEB C/C(=N\c1ccc(C)cc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 108527091 ODWHETBLRDAKDF-WYMPLXKRSA-N 416.428 5.243 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 245241189 YRJDKDJYIUMOKX-RKTOPJDZSA-N 420.593 5.354 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)c1 408752299 HOVLSJXSAPVNEF-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB C#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408916828 ZMSBGKXOOUWTIM-ONUIUJJFSA-N 414.530 5.642 30 40 HKEB O=C1CCCC2=C1C(c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)O2 409074465 LXGWVVGEYPQKFM-UHFFFAOYSA-N 400.474 5.394 30 40 HKEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409116616 LRCZNVUMIVVPBE-UYRXBGFRSA-N 412.327 5.557 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 409201971 PHVILULMAGKZTH-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(Br)c4)ccc32)c1 409232891 CDIUFAPFCLVPNC-QFEZKATASA-N 407.286 6.342 30 40 HKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 409337131 XLODDSBKLSVQLM-UCQKPKSFSA-N 422.933 6.647 30 40 HKEB COc1cc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1Cl 409371482 WRIZZJODTSKGNT-BRJLIKDPSA-N 422.824 6.092 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccccc1NCC(F)(F)F 1083811762 MXMVEYDYPYTPTL-UHFFFAOYSA-N 419.234 5.601 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)CCOc1cccc(NCC(F)(F)F)c1 1083811808 RIHWIQZSNSUYCY-UHFFFAOYSA-N 419.234 5.601 30 40 HKEB C=C(Br)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 1829379 OWDZEUKFRXNOJR-JTQLQIEISA-N 412.422 5.425 30 40 HKEB CC[C@@](C)(C#CCN1CCC(Cc2ccccc2)CC1)OCCOCc1ccccc1 4174256 KNXHDYRDDFMBDU-NDEPHWFRSA-N 419.609 5.347 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@]3(C)C=CC(=O)CC3)CC[C@@]21C 4666759 YLFAUVCVKUBIFC-OMPZNMKVSA-N 402.619 6.518 30 40 HKEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c1OC 4944847 QSOZTYQEPROBGH-SFHVURJKSA-N 419.521 5.176 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)c(F)c1)C1=C(CC(C)(C)CC1=O)N2 5603226 RQEWRYQOOFWXPO-JOCHJYFZSA-N 419.475 5.660 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 5988401 QEIXTWUUHCGFEL-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB COc1ccc(C2=C(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3C2=O)cc1 6793617 UWZWOIJXIIUWNW-FQEVSTJZSA-N 424.544 5.279 30 40 HKEB Clc1cccc(Cl)c1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12 9196031 SRCLKBRUEAEHPA-LGJNPRDNSA-N 408.332 6.120 30 40 HKEB COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 9482822 VLHOWNFSBZMAEG-QHCPKHFHSA-N 424.928 5.129 30 40 HKEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)N(c1ccccc1)c1ccccc1 12250922 MFYIBTKVFUAJLW-UHFFFAOYSA-N 411.486 5.670 30 40 HKEB C(=N\N=C\c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 12368480 LOCPRVUHECBZFB-GOLAWLNDSA-N 420.512 6.298 30 40 HKEB Cc1ccc(/N=C(C(=N\c2ccc(C)cc2)/N2CCCCC2)\N2CCCCC2)cc1 18038485 PBXSADRRKDYAQH-ZQZMJUSDSA-N 402.586 6.035 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=S)Nc2ccccc2)c1O 18118075 JGTJKFGCJPSLTI-ASAQIREPSA-N 405.483 5.137 30 40 HKEB C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1 32647647 OTYVLGRPJAJGHX-UHFFFAOYSA-N 416.344 5.098 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)o1 59105707 JLULODPQRNQNCK-ODLFYWEKSA-N 423.425 5.194 30 40 HKEB C[C@H](CC[C@@H]1OC1(C)C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 65731586 OSENKJZWYQXHBN-JZPKZORASA-N 400.647 6.520 30 40 HKEB biogenic CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)c1ccc(OC)cc1 100282522 MSYIDQFKYSGYDW-XMMPIXPASA-N 417.678 8.134 30 40 HKEB Cc1n[nH]c(NC=C2C(=O)CC(c3ccccc3)CC2=O)c1-c1ccc(Cl)cc1 101020636 USDONPOGQXVINA-UHFFFAOYSA-N 405.885 5.050 30 40 HKEB Cc1cccc(COc2ccc(/C=C3\SC(=N)[C@H](c4nccs4)C3=O)cc2)c1 137561849 KVWWRXSFHMGTEV-LIKCCPTGSA-N 406.532 5.448 30 40 HKEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932576 GEGJHPJBEZDEJM-UHFFFAOYSA-N 411.137 5.682 30 40 HKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226341212 LXBFYZQKYGFENG-BQYQJAHWSA-N 423.665 5.010 30 40 HKEB Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408534684 WATYSIDDHGDVDU-HAHDFKILSA-N 414.530 5.774 30 40 HKEB C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408554360 CNTJVSAUOKNORY-GOSISDBHSA-N 414.741 5.990 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409095654 DDLKLPHCAIUPPG-MIDUAYCOSA-N 411.380 5.246 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 409112744 CMSRCHJNLZAYLW-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB N#Cc1c(/N=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1CCCC2 409208334 FFVGTEDBZALZPI-ZRGSRPPYSA-N 400.425 6.528 30 40 HKEB Cc1cc(Br)ccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409240080 JMKUNHQMLJFEJX-VULFUBBASA-N 421.313 6.650 30 40 HKEB COc1cccc(Oc2ccc(N/C=C/C(=O)c3ccc(OC)c(OC)c3)cc2)c1 664202 FDOAYTBLBUJUMW-BUHFOSPRSA-N 405.450 5.313 30 40 HKEB Cc1ccc(C(=O)CSc2nc(C)cc(SCc3ccc(C#N)cc3)n2)cc1 900037 PCUCDULRKJTKJK-UHFFFAOYSA-N 405.548 5.232 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 3049948 DSILGXVSHYTWDQ-YSURURNPSA-N 417.679 6.911 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccs3)sc3c2CC[C@H](C)C3)cc1 4723890 OGGUGKQEWSYMHP-WQEJZQBCSA-N 410.564 5.946 30 40 HKEB Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)c2c(C)c(C)sc2n1 5429046 LMRASDCLJZPZJB-OAHLLOKOSA-N 410.568 5.044 30 40 HKEB COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[C@H](C(C)(C)C)CC2 5481465 MZWGBCGXXAVNMK-CYBMUJFWSA-N 400.569 5.098 30 40 HKEB C[C@@H]1N(C)c2ccc(/C=N/c3ccc(Cl)cc3C(=O)c3ccccc3)cc2C1(C)C 5570407 IKAIKUCDZARLGP-SSGLAOATSA-N 416.952 6.438 30 40 HKEB O=C1[C@H](Cc2ccccc2)S/C(=N\N=C\c2ccccc2Cl)N1c1ccccc1 6142596 UXOQOFUGRCTRLU-QGMMXWGXSA-N 419.937 5.421 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cc(F)c(N4CCCC4)cc3C)cc2)cc1 6389952 UUKUOTINRUWXGL-WPWMEQJKSA-N 404.485 6.286 30 40 HKEB C=CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O 6527712 GFPDCNKHAQWEKM-UHFFFAOYSA-N 412.580 5.161 30 40 HKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1Cl 8381550 WZHODFZFDOHUGF-QFIPXVFZSA-N 411.892 6.793 30 40 HKEB N#C[C@@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl 8782171 ULYGLIMYXDSDBA-NSHDSACASA-N 408.260 5.868 30 40 HKEB C/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c(Cl)c1Cl 12566246 YFIQRGDPFSKWRM-HCGXMYGOSA-N 416.057 7.155 30 40 HKEB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 12654077 RYZOQJGBGALJTK-VARQLJSGSA-N 403.680 6.501 30 40 HKEB biogenic C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N(CCC#N)c1ccccc1 12820274 JJLUHERNHRVBPN-ZDUSSCGKSA-N 412.864 5.786 30 40 HKEB CC(/C=C/[C@]1(C)[C@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 13373374 ZLAQYJKDQSZARB-DLCMNRSOSA-N 402.918 5.335 30 40 HKEB biogenic,in-vitro CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 100830509 XLWWMFCKVCPXOV-LSVCFVEQSA-N 421.584 5.100 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Oc2ccc(CCCCCC)cc2)cc1 101509206 AQSFFEGQHZABAF-UHFFFAOYSA-N 410.598 7.768 30 40 HKEB CCOc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408914461 XXCVOEUKGWVWMN-XKZIYDEJSA-N 416.340 6.651 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408965107 GFPCRGQXRDGIMD-YSMPRRRNSA-N 423.398 7.213 30 40 HKEB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2C#N)o1 409019129 VWIPGXUHZQLTTP-LLVKDONJSA-N 406.294 5.680 30 40 HKEB C=CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 409082361 SIGJRARLQHBHLJ-CUHSDLGESA-N 412.514 6.060 30 40 HKEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cccc(C)c2C)cc1Cl 409209040 FDDOIWNGOSFSFE-VULFUBBASA-N 406.913 6.033 30 40 HKEB CSc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409285363 WMKZMUMYUYOGNO-UHFFFAOYSA-N 411.486 5.414 30 40 HKEB Cc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O 1836012 LIJAXCJCPQVFHS-MZJWZYIUSA-N 412.876 7.066 30 40 HKEB Cc1ccccc1[C@H]1C(/C=N/Nc2ccccc2)=C(c2ccccc2)Oc2ccccc21 2283294 ITULBBUZRBTQIP-AWUWXFTQSA-N 416.524 7.029 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 4458583 BPBWXYUJJPCQEA-YCASGBEESA-N 404.510 5.041 30 40 HKEB CCOc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 5872859 QVDSFNJOPIGVJU-HAVVHWLPSA-N 411.501 6.773 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 6416846 IBTRQFJLFQISNJ-NRFANRHFSA-N 401.293 5.520 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2C#N)cc1 8441187 CTRYZUMYQSPTEJ-UHFFFAOYSA-N 420.537 6.571 30 40 HKEB N#C[C@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 12612038 ODRWOUKIHMCLJQ-JTHBVZDNSA-N 416.506 5.095 30 40 HKEB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 13570342 PVZDNEXKHNCHNC-YCRPNKLZSA-N 406.869 5.300 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 32916753 WTUVDBVCRJLQQI-UDWIEESQSA-N 419.462 5.363 30 40 HKEB FC(F)(F)c1ccc(Cl)c(N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)c1 33957789 IFRFYXHXISNSDX-CPYLFOLBSA-N 416.830 6.699 30 40 HKEB O=C(/C=C(/Nc1cccc2[nH]c(-c3ccccc3)cc12)c1ccccc1)c1ccccc1 35325056 UIAXASYBARFZDW-VFCFBJKWSA-N 414.508 7.171 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2cc(C(=O)O)ccc2Cl)cc1 59104622 ZSALNBLYBAPIBQ-WYMPLXKRSA-N 409.825 5.066 30 40 HKEB N=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)[C@H]1c1nccs1 137177721 IOVHPFIJGQZEIP-VGQPPMBJSA-N 410.495 5.279 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@@H]32)C1 257345234 PYLBSMLISGOFKG-BKNAWKSXSA-N 418.577 6.144 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408864661 YYXQJLFSJKWLCM-NDFJWNGTSA-N 406.551 5.878 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 408944724 UVKZDQQIGCVDRR-REAXAJHASA-N 420.556 7.137 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC 409065766 NCIIMTNDPPRUCO-LSFURLLWSA-N 417.771 5.120 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)c1 409137785 XWAOXYKZABMHHA-YZSQISJMSA-N 406.457 5.214 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409202856 SRVZDFIWEPOUKC-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C]2OC(=O)CCc1ccccc1 1560409989 BCSPHPQQGFPOHB-RPAYPMEESA-N 405.558 5.836 30 40 HKEB Cc1cccn2c(=O)c(/C=N/[C@@H](C)c3ccccc3)c(N[C@H](C)c3ccccc3)nc12 4145266 SXHRDXKEEZZFIP-RTMIEATFSA-N 410.521 5.356 30 40 HKEB N#Cc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4s3)n2)cc1 9747254 JOGUSXTUZOHHLU-UHFFFAOYSA-N 404.520 5.253 30 40 HKEB CSc1nc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820546 JTMGBNKVEOKTIE-UHFFFAOYSA-N 408.958 6.432 30 40 HKEB CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c1 38653258 OFPXFRBDXAVQMP-UHFFFAOYSA-N 416.500 5.224 30 40 HKEB CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 59474874 FUFXBJBWEBTSHW-UHFFFAOYSA-N 405.582 6.125 30 40 HKEB C/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc(SC)cc1 103371918 JITFCGMRPHATEQ-TZBYAMTHSA-N 408.379 5.658 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 408736897 CCVTUIXIUZQJDH-SRZZPIQSSA-N 406.736 6.062 30 40 HKEB Cc1cc(/C=N\Nc2ccccn2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408855001 LPDVKVKZNLSKPW-ROTLSHHCSA-N 400.309 6.030 30 40 HKEB CCCCN1C(=O)/C(=C\c2cccc(OC)c2OCC)S/C1=N\c1ccc(C)cc1 408911614 KLDRHKFUQYRSTI-RAFWRMIMSA-N 424.566 5.806 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 409009943 IVAAFWUCILJNRA-SJWFJVLYSA-N 421.349 6.062 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 409080070 HNSAPSDFOGWESW-BLAKXTKQSA-N 405.350 6.253 30 40 HKEB CCOC(=O)COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409093135 YAXSTZQCDJIWQZ-HSOLMKNUSA-N 424.566 5.463 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccccc1F 409116129 LTJIRBMTENRWPL-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB N#Cc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1Br 409196036 YIJCHHJCJGWLHA-UHFFFAOYSA-N 421.319 6.176 30 40 HKEB C=CCCCCCCCCc1nc2sc3c(c2c(=O)n1N)CC[C@H](C(C)(C)C)C3 2307305 MOCUVVQBXAXONH-KRWDZBQOSA-N 415.647 5.782 30 40 HKEB CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@@]12C 4097726 WSTYNZDAOAEEKG-QSPBTJQRSA-N 420.593 6.422 30 40 HKEB biogenic,in-vitro CCCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4954831 NMXVGXJUXGIFNT-PTHMFHIQSA-N 405.523 5.457 30 40 HKEB Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(=O)/C=C\c1ccc(N(C)C)cc1 5732349 LRJMLKFKRPSWMW-MLPAPPSSSA-N 408.483 5.065 30 40 HKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21 6783941 LXMPDMMESNUXGJ-UHFFFAOYSA-N 415.489 5.741 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2Br)cc1 12381756 HCCJFFGINWYZER-MTJSOVHGSA-N 415.360 5.550 30 40 HKEB COc1ccc(/C(CC2CCCCC2)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 13403410 UDHHWAFTLWITPN-ATJXCDBQSA-N 412.446 5.298 30 40 HKEB Cc1cc(C)nc(N/C(=N/C(=O)c2ccccc2)Nc2ccc(Cl)cc2Cl)n1 18105858 SFDAUQYKJDYOKL-UHFFFAOYSA-N 414.296 5.121 30 40 HKEB CSc1nc(Nc2ccc(Oc3ccccc3)cc2)c(C#N)c(-c2ccccc2)n1 19820763 DOSFQDAJXJMOCC-UHFFFAOYSA-N 410.502 6.273 30 40 HKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)c1 59427034 JOBGKQWTTQYLNZ-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 102562061 MNAJOOGOSSTAGY-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C\c4ccccc4)cc32)cc1 104335090 SDJXPKUQLHGMCD-APUYINBGSA-N 400.525 7.073 30 40 HKEB CC/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C1/C[C@H](C)CC(C)(C)C1 105795555 PHGZOHUNUHVAKK-KAACLNNZSA-N 401.576 5.205 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935247 YBGNTBYIXGTDRY-FSPLJGGCSA-N 401.679 7.938 30 40 HKEB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 408692008 BEKJILOUNLINPQ-NTCAYCPXSA-N 401.506 5.404 30 40 HKEB O/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 409044261 VAFQADLRFSAWPG-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB Fc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)ccc1N1CCOCC1 409137839 ZBHDFHDDZJFUKR-WGOQTCKBSA-N 410.876 5.859 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409202173 PKNAHXXDQDSKFR-OVVQPSECSA-N 424.456 6.717 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccc(F)cc2)o1 409280619 KLBKGRSFAAPICK-UHFFFAOYSA-N 415.468 5.726 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(C(C)(C)C)cc3)c2)cc1C 409385238 GWMCWXCTQGGYKS-QRQIAZFYSA-N 414.549 6.369 30 40 HKEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 3355821 CMGGJFMMORXISH-UHFFFAOYSA-N 404.278 5.006 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)nc2ccccc21 4485640 OKUFHYJDPXWZRQ-ZDUSSCGKSA-N 401.919 5.004 30 40 HKEB COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1 4944856 WOMRYIHBIHWWAI-HXUWFJFHSA-N 419.521 5.176 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 5504605 MITXQQZILNFWJH-QFIPXVFZSA-N 418.880 5.643 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 9264168 MRYRLUKSDDFBGQ-AREMUKBSSA-N 414.936 6.521 30 40 HKEB CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1 12250966 ZRLWMWOYEQIHBU-UHFFFAOYSA-N 423.925 5.403 30 40 HKEB COc1ccc(/C=N\c2ccc(-c3ccc(/N=C\c4ccc(OC)cc4)cc3)cc2)cc1 18098943 UTROQYQKNNCTMF-NAZWXXJZSA-N 420.512 6.872 30 40 HKEB CC(=O)Nc1sc(N/N=C\c2cccc3ccccc23)nc1-c1ccc(Cl)cc1 26771313 IAKVITXBOIDXCC-CFRMEGHHSA-N 420.925 6.021 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33267936 UKMLBWYEJGMKCC-UHFFFAOYSA-N 405.498 5.019 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1c(C)cc(C)cc1C 408984639 ITNACYITAOEFKD-QFEZKATASA-N 416.542 6.529 30 40 HKEB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1ccc(O)cc1 409109545 HARCZCCPCJZRIQ-XKZIYDEJSA-N 407.451 5.161 30 40 HKEB CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 409110430 BYIGKBPSXOGVSN-HAHDFKILSA-N 406.463 5.673 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 409203081 VYSOTEKUMRTEDU-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 409203851 ZEBQUUFSMWJPSJ-VULFUBBASA-N 423.896 5.939 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409211695 MTPMLCPGXWZRBY-BRJLIKDPSA-N 420.723 6.985 30 40 HKEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409214203 WFXUZUWNUXAEKS-LFVJCYFKSA-N 409.507 5.084 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)S1 409221215 MSVCDTVGZVPUGB-RGVLZGJSSA-N 419.893 5.672 30 40 HKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc2ccccc12 409390424 CZBTUFDIVMLHES-UHFFFAOYSA-N 420.464 5.890 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)c(C#N)cc2c1 832532 RTKWAYFOQSRWJL-UHFFFAOYSA-N 402.306 5.453 30 40 HKEB Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)c1 2071750 JZIMDZBXTKAGEY-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB C=CCN(CC=C)C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4713406 ACDFDMNCODADRB-UHFFFAOYSA-N 403.485 5.904 30 40 HKEB O=C(/C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 5278256 WQFOHPJQUJYXQU-CAPFRKAQSA-N 405.291 5.988 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3F)cc2)cc1 5418887 UNCBCIQBAMRCQH-OVVQPSECSA-N 405.469 6.365 30 40 HKEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(=O)oc2c1C 8879282 ZLMBQSFYSTUWFL-UHFFFAOYSA-N 416.477 5.027 30 40 HKEB biogenic C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OCC)cc2)c(O)c1 8995913 NQISOUHTYCGOAI-UHFFFAOYSA-N 408.454 5.015 30 40 HKEB CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1cccc(C(=O)O)c1 9261610 YWFWPXRSJRHBIC-RVFNTIOESA-N 422.437 5.018 30 40 HKEB O=C1Nc2cc3oc4ccccc4c3cc2/C1=N\Nc1ccc2c(c1)oc1ccccc12 9310946 ZBULSGGKLYQKQV-UHFFFAOYSA-N 417.424 6.254 30 40 HKEB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 18176037 IRNWQTKJWBYJPT-XJLSEHEASA-N 418.562 6.188 30 40 HKEB O=C(/C=C\c1cc2c(s1)-c1cc(Cl)ccc1OC2)c1ccc(Cl)cc1Cl 33380842 NXYWHFNATNHVQP-HYXAFXHYSA-N 421.732 7.164 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccccc1F 59418030 JABXEZJNZASJOC-KGENOOAVSA-N 404.466 5.296 30 40 HKEB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccc(/N=C/c4cccc5ccccc45)cc3)[C@@H]2C1 59471678 NSRDOBGLWZDKTE-YTXIPSSKSA-N 400.525 7.417 30 40 HKEB N#CCCSc1ccccc1NC(=O)c1cnc2ccccc2c1C(F)(F)F 95944763 AMQXMDFXIPYNNR-UHFFFAOYSA-N 401.413 5.512 30 40 HKEB CC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 100765817 REKSWJJWCCQHDP-XTCLZLMSSA-N 413.506 5.041 30 40 HKEB COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 100933748 GLALJNKPQZXULM-FSJBWODESA-N 423.266 5.722 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@@]12C)CCC(=O)/C4=C/O 230045411 WSXDVDYWXDOPKG-JFRCNWFGSA-N 408.626 7.255 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccc(F)cc1 409242667 XMRGBPMUXKDJIZ-PDQZSPQUSA-N 424.522 6.194 30 40 HKEB CCOc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409277984 CECLVEQQYRBCNH-UHFFFAOYSA-N 409.445 5.091 30 40 HKEB CCc1ccc(C=Nn2c(-c3cc4c(OC)cccc4o3)nc3ccccc3c2=O)cc1 409306355 OYOKNAGYUHJKEN-UHFFFAOYSA-N 423.472 5.263 30 40 HKEB C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O)C[C@@H]1O 1542052994 LWQQLNNNIPYSNX-ANRCGTSPSA-N 412.614 5.091 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)c1 4491626 NAQSKMRTTLRKTJ-PXLXIMEGSA-N 400.503 5.466 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C#N)C1 5901811 PDKFUOMXHHBXER-LLVKDONJSA-N 407.366 6.330 30 40 HKEB Cc1c(Cl)cccc1/N=C1\S[C@H](COc2cccc3ccccc23)CN1C(C)C 7699107 ZBRIEHBDDULGFY-BOKVAXDPSA-N 424.997 6.694 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 9190324 MOBMMXFVWRSTGL-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB N#CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21 12546547 HADNLGQXQWVAAD-UHFFFAOYSA-N 412.518 5.348 30 40 HKEB C/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccc2c(c1)OCO2 12550640 JPNNSMSIQXYVSO-SOKIJLDJSA-N 413.502 5.025 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34165714 NCHPULCZWCKWHV-ACVICXQNSA-N 400.647 6.568 30 40 HKEB CC(=O)[C@@H]1[C@@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 254836592 KKCSMFAZRNSRNN-FJHHILBCSA-N 400.632 5.276 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2cccc(OC)c2)cc1 408722942 OQTIGPCTSKNYLE-LQKURTRISA-N 424.456 5.959 30 40 HKEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/N(c3ccccc3)c3ccccc3)cc2)nc1 408739345 VRSVDTVQOZXBOM-YZSQISJMSA-N 410.433 5.954 30 40 HKEB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2C#N)o1 409019138 VWIPGXUHZQLTTP-NSHDSACASA-N 406.294 5.680 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(Cl)cc1 409084587 VSLLHDNIDILKLP-XMFNYGHISA-N 400.931 5.671 30 40 HKEB Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(-c5ccccc5)cc4)ccc32)c1 409245155 ODCZBFXCQQZJIP-FSGOGVSDSA-N 404.488 7.246 30 40 HKEB Cc1ccc(-c2oc(/N=C/c3cccc(Cl)c3)c(C#N)c2-c2ccc(C)cc2)cc1 409355421 CTITYKOVVTUDGH-MUFRIFMGSA-N 410.904 7.506 30 40 HKEB CSC(=Nc1ccccc1)c1c(-c2ccccc2)c(C)n2c3ccccc3n(C)c12 584905940 LPNMMWKHYGMKJH-UHFFFAOYSA-N 409.558 6.848 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl 1080095 IXMGXPMSICUISJ-MRXNPFEDSA-N 414.332 6.157 30 40 HKEB CCCCCCCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 2290609 HLQGUMOPEMEEEX-UHFFFAOYSA-N 420.553 5.937 30 40 HKEB Oc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2o1 2756849 ZNBUUOWBPBUOOA-UMKNWRDPSA-N 409.272 6.923 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 4691456 AWYBZJYYXXSMTD-ZVHZXABRSA-N 415.474 6.150 30 40 HKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc2c(c1)OCCO2 5938501 HEGYSDSOJAFIIY-VOTSOKGWSA-N 415.276 5.155 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCc1ccccc1 13286332 IRMNTBQXFYYSRW-ZMPCKTLKSA-N 423.607 5.372 30 40 HKEB C=CCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1 14055235 NEZTWYISRVMRHY-UHFFFAOYSA-N 415.518 5.617 30 40 HKEB CSc1nc(Nc2ccc(Cl)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820464 BCZHNHUSVXBQGR-UHFFFAOYSA-N 408.958 6.432 30 40 HKEB COc1ccc(/C=C2\C(=O)/C(=C/c3ccc(OC)c(OC)c3)CC[C@H]2C)cc1OC 31894627 FNEHNMVDEJMKOR-DBGZARRSSA-N 408.494 5.187 30 40 HKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl 32604375 HLBGXCUTQSLIKB-UHFFFAOYSA-N 420.365 5.663 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1 33011180 QNSKWJOCARIMML-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB CC1[C@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@H]12 33928953 SOTMWCFQLUSXKP-OHUMZHCVSA-N 415.503 6.062 30 40 HKEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl 59250344 DWMSKMCKXMMYMC-WSDLNYQXSA-N 417.690 5.430 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1O 59459254 KNWBSYZYJLWTIL-BRJLIKDPSA-N 416.355 5.649 30 40 HKEB CCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCC 73259057 KYFZBAKGUDDFHT-UHFFFAOYSA-N 411.675 5.090 30 40 HKEB CCCCCCCCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 97954977 JCDLMWCHAQFWLU-UHFFFAOYSA-N 406.530 5.822 30 40 HKEB O=C(/C=C1\Nc2ccccc2N\C1=C/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 100549808 GEMOKJFTTVIVJS-JZTLMNBPSA-N 402.400 5.336 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408873384 QEJTUYOQWYJOOF-BIFPGVLTSA-N 424.541 6.161 30 40 HKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 408932384 WMVPZJCPFGJOBG-WGOQTCKBSA-N 407.945 5.643 30 40 HKEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccc(F)cc1 408976619 BGQKKGDSYPMLCV-UHFFFAOYSA-N 417.484 5.198 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccccc2Sc2ccc(Cl)cc2)nc1 409090827 QNHFGVHQSQRDIV-GATIEOLUSA-N 407.848 6.351 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 409212154 NJUXMGLNLKTKPF-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 409213619 PZPZIXNYRICOPO-WSDLNYQXSA-N 408.723 6.125 30 40 HKEB Cc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)n1C(C)C 409298708 NYRSZJJISPGTTC-UHFFFAOYSA-N 424.504 5.691 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc4ccccc4c3)c2)cc1C 409380512 NCVNJQQERQCEIP-QRQIAZFYSA-N 408.501 6.225 30 40 HKEB C=CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531384229 XHRIRUFZEPLOGP-WGOQTCKBSA-N 415.880 5.164 30 40 HKEB CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 4815351 DPELSCQHLTYAHP-UHFFFAOYSA-N 400.902 5.647 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 6045571 KMPWTMLTCOLYCJ-LGUFXXKBSA-N 408.461 6.511 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 6475040 KVRURICHFJRLLN-QKFKETGDSA-N 424.928 6.520 30 40 HKEB C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)c2ccccc2)c1=S 8548488 PJZFMMGTEBSBOG-UHFFFAOYSA-N 412.946 5.057 30 40 HKEB Cc1c(C(=O)/C=C/c2ccccc2OC(F)F)cnn1-c1ccc(C(F)(F)F)cn1 12594151 AWGZCIDQXQSXMC-SOFGYWHQSA-N 423.341 5.092 30 40 HKEB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(-c2ccccc2C#N)cc1 12971734 HZSYTLXYWJNUPS-UHFFFAOYSA-N 423.438 5.315 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2 21722463 RMPYEOQXMGWZNB-DEOSSOPVSA-N 404.510 6.068 30 40 HKEB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 95868380 TXXCMYLRDXEQRR-BIEDGCQKSA-N 424.713 8.377 30 40 HKEB biogenic C[C@]12CC[C@@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 118915025 YRJDKDJYIUMOKX-VCSREVTJSA-N 420.593 5.354 30 40 HKEB CCCCCCCCCCCCO[PH](=O)OCCCCCCCCCCCC 150339169 KQWYQZYVKPPMBX-UHFFFAOYSA-N 418.643 9.251 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 245239570 KOBCGCROWPFVMN-KIEAKMPYSA-N 402.575 5.260 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 408916719 YVAUOBVMAZITMM-FNXXDVGZSA-N 408.567 6.186 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 409200761 JDARFVIFSQZHFX-VULFUBBASA-N 413.876 6.216 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl 409203810 YDDRMQPYAMWYMR-RWPZCVJISA-N 420.339 7.785 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409210385 KTQSHOCWBZKYHH-ZMOGYAJESA-N 410.857 5.895 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2F)S/C1=N/c1ccc(F)cc1 409237102 IYXURJMKFRCPAX-RIUHWNRSSA-N 409.461 5.379 30 40 HKEB Cc1ccc(-n2cccc2C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1C 409403642 IRRPIYUVWXNFMN-UHFFFAOYSA-N 418.500 5.353 30 40 HKEB C=C(C)CSc1nnc2n(CC)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 2292492 CXLNWVNAADWIDG-UHFFFAOYSA-N 420.582 5.004 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2ccc(Cl)cc2Cl)c1=O 3128251 UWJLYSRMTJFXRT-UHFFFAOYSA-N 424.114 6.049 30 40 HKEB CCOc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1 3182383 DZIYYJFHULGUGT-MWAVMZGNSA-N 416.524 7.447 30 40 HKEB C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccoc1C 8394552 YDHUAQDRWDXVNR-UHFFFAOYSA-N 410.930 5.835 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OCC 8811390 SAZHSQLSELCLSO-SRZZPIQSSA-N 411.727 5.024 30 40 HKEB Clc1ccc(CN/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 10119150 BUFHDCOPVBFOCJ-MZJWZYIUSA-N 408.332 6.120 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1 11565580 IXZHTEIQCQGHOT-RMKNXTFCSA-N 422.105 6.912 30 40 HKEB Cc1cc(N2CCCC2)c(C)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 33793095 UKXWGOBOCDOQKO-MTDXEUNCSA-N 422.532 5.163 30 40 HKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)s1 35057276 HBYGWQHTQKIKOT-VHRZHEQLSA-N 422.579 5.234 30 40 HKEB C=CCn1c(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)nnc1-c1ccoc1C 40023352 AJLROLHVONPKHD-LBPRGKRZSA-N 423.567 5.313 30 40 HKEB CCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)O)cc1 43411648 ZQZOVFQJZLBPET-BSYVCWPDSA-N 416.646 8.425 30 40 HKEB C/C(=N\c1ccc2ccccc2c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370399 VKQDCELWWOWNCE-MTDXEUNCSA-N 404.469 5.990 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225769189 WYDNEYIGYNGAIG-DEOSSOPVSA-N 402.563 5.944 30 40 HKEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(C)c1C 408730657 SWZLOORTNLGOJB-WGOQTCKBSA-N 418.562 5.109 30 40 HKEB COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OC(C)C 408737553 DDIPEUATCBOLGG-ODLFYWEKSA-N 416.930 5.336 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl 408964845 SSQKSWLBIZFMFA-HWQJWEFDSA-N 404.894 5.548 30 40 HKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3cccc(F)c3)cc2)c1-c1ccccc1 408979108 LJMIRIXSLCZUMJ-UHFFFAOYSA-N 409.464 5.896 30 40 HKEB C/C(=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)cc1 409053216 NCFQQXHJQHVTDO-RGVLZGJSSA-N 417.288 5.317 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409117618 OHASEAGCSHARGO-UHFFFAOYSA-N 404.466 5.523 30 40 HKEB N#Cc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 409196260 YCMZOYOPCRHSQU-UHFFFAOYSA-N 421.319 6.176 30 40 HKEB CC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409381889 WYBUZVLPHYWTSP-LGJNPRDNSA-N 424.859 5.450 30 40 HKEB CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 1076988 RHFXJVJALNCPPU-PIKZIKFNSA-N 424.544 6.373 30 40 HKEB CCCCCCCCCCCC1=C(O)C(=O)C(I)=C(O)C1=O 1590626 FWXGTGRMBTXRKB-UHFFFAOYSA-N 420.287 5.076 30 40 HKEB CCOC(=O)c1c(C#N)c(SCc2ccc(C(C)(C)C)cc2)nc2c1CCCC2 2197153 NDTKSYJKHKJPDX-UHFFFAOYSA-N 408.567 5.599 30 40 HKEB Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)sc2c1 2746135 UIQZXPXSBXZFOA-UHFFFAOYSA-N 400.956 6.318 30 40 HKEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 3098474 OFTJRWBHSQSGCT-QFIPXVFZSA-N 407.897 5.051 30 40 HKEB Cc1ccc(OCCCOc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1C 4550990 LKZXGBBAGTYENN-KOEQRZSOSA-N 419.481 5.506 30 40 HKEB Oc1ccc(Cl)cc1/C=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 4725688 KZJASSYBCCMNCT-MYYYXRDXSA-N 400.869 5.616 30 40 HKEB CC(C)Oc1ccc(-c2nc(N/N=C/c3ccc(Cl)cc3)c3ccccc3n2)cc1 5024383 UOFBIYNZYDFCRJ-CVKSISIWSA-N 416.912 6.183 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 5279057 XHJLHHXYYUYSIH-KNTRCKAVSA-N 420.508 6.741 30 40 HKEB Cc1nn(-c2ccccn2)c2c1C(=N/c1ccccc1)/C(=C/Nc1ccccc1)CC2 5425422 AODVQMYHOKJYRV-SMGWWCFGSA-N 405.505 5.639 30 40 HKEB O=C(/C=C/c1cc(Br)cs1)c1ccc(NC2=NCCCS2)cc1 7587260 MTZAZVRAHJOBTN-VOTSOKGWSA-N 407.358 5.312 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1c(Cl)cccc1Cl 16578020 NZFWBJPAMGGFMQ-NRFANRHFSA-N 422.355 7.347 30 40 HKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O 34112433 PROGDNSPTJYDEC-JUUUPRSMSA-N 424.487 6.112 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 100254881 FCDMWLMIIPFPSQ-YSURURNPSA-N 419.230 5.305 30 40 HKEB CCCCCCCCCCCC[C@@H](CCCCCCCCCC)Cc1ccsc1 169806309 WSIOQPZPWMYDPD-HHHXNRCGSA-N 420.791 10.749 30 40 HKEB Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc([N+](=O)[O-])c1 195692154 VZGDQIDHFXHYBJ-FQEVSTJZSA-N 405.841 5.464 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770938 ZGEDWWGJEMSROW-UHFFFAOYSA-N 424.478 5.077 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cccnc1 408768864 KOSWNBVTMBUKCN-GRSHGNNSSA-N 408.914 5.034 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 408814055 PSJHFGUAMGDLCI-STZFKDTASA-N 403.507 5.036 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccc(C)cc1 408912635 OHEWQKPNOMKBMQ-LISDSOCTSA-N 422.937 6.532 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3cccc4ccccc34)cc2Br)cc1 408915837 ZWNNMVWZCOYQAX-ZVHZXABRSA-N 422.347 7.406 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(F)cc1 409122353 YHXATLCIMXKYFZ-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 409209116 FXEHGOWNBNVRQD-WLGCULAMSA-N 415.990 5.837 30 40 HKEB Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 409212640 RQWRKGHGSLHKFE-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O)C[C@@H]1O 1542052995 LWQQLNNNIPYSNX-NWEKPMQCSA-N 412.614 5.091 30 40 HKEB Cc1cc(-c2ccc(Cl)cc2)nc2c1c(-c1ccc(F)cc1)c(C#N)c(=O)n2C 2639179 UFRCLDRBXUJLHT-UHFFFAOYSA-N 403.844 5.240 30 40 HKEB CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 4414716 WQICXLMOUGTTEG-RUZDIDTESA-N 420.528 6.159 30 40 HKEB Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 4747107 ZMLXIXDRYDDRAR-AFMDSPMNSA-N 415.533 6.794 30 40 HKEB Cc1ccccc1/N=C1\N=C(S)N(c2ccc(Cl)cc2)[C@@]12CCOC(C)(C)C2 5854869 HWQDFPNQWKRRGN-JOCHJYFZSA-N 413.974 5.812 30 40 HKEB CC(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 6076996 RYGDHXDFGUCNRJ-UHFFFAOYSA-N 422.937 5.984 30 40 HKEB C#CCOc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 6300439 PHTXZDZCEVSUEZ-VUTHCHCSSA-N 402.453 6.248 30 40 HKEB Brc1ccc(/C(Cc2nc3ccccc3[nH]2)=N\Nc2ccccc2)cc1 6315752 AGRSBCCMJJSQCG-QOMWVZHYSA-N 405.299 5.384 30 40 HKEB C=COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 9210717 RAMACOGNBCPORJ-SXGWCWSVSA-N 424.831 5.773 30 40 HKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3\C(=O)Nc4ccccc43)n2)cc1 12461958 SKONOXXPWHDJBQ-UHFFFAOYSA-N 424.891 5.845 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 35646795 VOGDCWBUUGTKND-NDENLUEZSA-N 419.462 5.363 30 40 HKEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102576336 QKWZAMFBWULNNQ-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB CCCCCCCCc1ccc([C@H](O)[C@@H](C)C[N+](C)(C)C/C=C\c2ccccc2)cc1 104333474 ALDJIKHVKLWRTI-RDYNHBQXSA-N 422.677 7.049 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OC=O)CC[C@@]43C)[C@H]1CC=C2C#Cc1ccccc1 245238733 AHMJMFJZNJAALU-MVOISCCBSA-N 402.578 6.159 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1 408590697 HNZVGUAOGATXBD-VULFUBBASA-N 406.869 5.350 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 408737538 CXJBVOKYGINJTB-FOKLQQMPSA-N 422.153 6.914 30 40 HKEB CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1 408754999 XRBKJHZLZVDQFI-GZTJUZNOSA-N 401.329 5.464 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408774333 VBTDYVDEYPFRJN-FSJBWODESA-N 417.734 6.269 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3C)c2C)cc1 408777653 DZHRXGOKAGMRIQ-AFUMVMLFSA-N 404.466 5.028 30 40 HKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 408892942 AVBQMLFEOGILIS-UHFFFAOYSA-N 416.901 5.265 30 40 HKEB Clc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)c(Cl)c1 409175777 CUJBAHAKCRAABD-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 409210053 KPILXXCDRBPARL-UHFFFAOYSA-N 423.553 5.019 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 2446199 YIQAEJAKTGDIIM-UHFFFAOYSA-N 406.898 5.404 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCC(Cc2ccccc2)CC1 6187368 IQUQPQQOCDLKGE-UHFFFAOYSA-N 408.549 5.689 30 40 HKEB N#Cc1ccc([C@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 6190393 RHUNKJLQGXAPNB-HSZRJFAPSA-N 422.513 5.566 30 40 HKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N(Cc1ccccc1)c1ccccc1 6566618 UZUHGBRFURVGHC-YZSQISJMSA-N 400.913 5.875 30 40 HKEB COc1cc(/C=C2\CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)ccc1OC(F)F 13777792 VODAUYOHBFMFEN-HJGWPUIUSA-N 413.464 5.583 30 40 HKEB CCOc1cc(/C=C2/N=C3CCCCC[C@@H]3C2=O)ccc1OC(=O)c1ccccc1 27525416 DWGRKHYGLDIEJX-QTKYHAHDSA-N 403.478 5.249 30 40 HKEB CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1O 104082417 OCBNPJMBZAFZBT-DARPEHSRSA-N 424.651 6.127 30 40 HKEB FC(F)(F)C(F)(F)CCCCCCCCCCCCC(F)(F)C(F)(F)F 169795170 MFEHVCNFOJAHQR-UHFFFAOYSA-N 406.348 8.063 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)c1 408760314 WNPJKSCWJFWSSN-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB CCOc1ccccc1/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 408822362 LVCCEHBAHHUJLC-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)cc(C)c1OCc1ccc(Cl)cc1 408845109 FKQQIGKEVVUGTO-JFLMPSFJSA-N 415.924 6.530 30 40 HKEB Cc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 408847401 UZYIHDADPVQSSR-JJFYIABZSA-N 420.759 7.214 30 40 HKEB Cc1ccc(-c2csc(N/N=C\c3ccc(OCc4ccccc4F)cc3)n2)cc1 408991097 ZAQILHWMNRLCBO-WGARJPEWSA-N 417.509 6.283 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl 409009355 DOWSQUBLQZWIIW-GEYIUBJWSA-N 414.958 6.026 30 40 HKEB Cc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12 409214227 WGLNJPMMBKKYPN-KOEQRZSOSA-N 401.487 5.667 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409217088 RJMQEMBJFDCCNR-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 1022849 MPWAPUMNNJEPGR-UHFFFAOYSA-N 419.350 5.030 30 40 HKEB C=C(C)Cn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1753688 XQFIXRWJFXXWAC-UHFFFAOYSA-N 422.638 6.383 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3cccs3)ccc2C1=O 2436735 PPQOUVZFNIUKEY-DQMRVRKMSA-N 404.443 5.148 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)on3)c2C#N)C1 4881133 LIASLOPYGISUPH-LBPRGKRZSA-N 411.552 5.740 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)c(Cl)c2)ccc1OCc1ccccc1F 6351105 KOUFGZBCLZLHCL-VULFUBBASA-N 413.876 6.216 30 40 HKEB COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 6646151 UEVREEIQLIAADQ-BRJLIKDPSA-N 404.268 6.471 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 6961369 LXLXZSRMTJXIHI-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccccc1[N+](=O)[O-] 8559406 MIZQTMHBGVLQGW-LFVRLGFBSA-N 414.465 5.035 30 40 HKEB C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9112013 XRUAARWZLMGXQR-GOSISDBHSA-N 418.349 5.860 30 40 HKEB N#C[C@@H](C(=O)CSc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1 12898233 MWVKFBLDVYEKFB-ZDUSSCGKSA-N 419.358 6.085 30 40 HKEB COc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 14163758 MSKIQDPZHLCDNX-LFPIHBKWSA-N 417.484 5.274 30 40 HKEB Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)c1 15826326 SUFNSSXPHIUIHZ-AREMUKBSSA-N 412.533 6.405 30 40 HKEB Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 21356213 LECCXYDJOWZLEC-XMMPIXPASA-N 414.530 5.877 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c2cc(OC)ccc21 28182686 LJZLUPXODPGMAT-MSXFZWOLSA-N 403.478 5.631 30 40 HKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3sc(C)c(C)c3C#N)nc2cc1C 34791534 GNVCASWYZHNYFH-UHFFFAOYSA-N 406.536 5.004 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 59418080 IDGBPADROMWJAW-ZMOGYAJESA-N 407.470 5.469 30 40 HKEB CC(C)N1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 72408144 DBSPPQFBXQMDPD-AOEKMSOUSA-N 422.302 6.032 30 40 HKEB CCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1 100856560 IPBVOARNANTRTP-NHFJDJAPSA-N 407.554 6.512 30 40 HKEB CCCCCCCCCCCCCCCC[N+]1(Cc2ccccc2)CCOCC1 104171458 AJTZLPLYIFDXSQ-UHFFFAOYSA-N 402.687 7.515 30 40 HKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(Br)c1 226340833 QQWUXZFDJJHTDZ-CMDGGOBGSA-N 419.702 5.180 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 408723154 QVDYKHPQRPGBQJ-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)cc1 408780502 ZXINNCZNCADJGF-OVVQPSECSA-N 402.538 6.364 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccc(Cl)cc1 409092288 VEMUXIDGMYFEOP-TWDJDDHFSA-N 420.965 6.753 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 409112059 ASRIYYKZTUXXKB-UHFFFAOYSA-N 401.550 6.540 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 409118636 QDCNPCIMKWLLAN-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 409203115 VCPBHWMVSKEKRP-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 409212590 QURHIZPTKZRRGS-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB COc1ccc2ccccc2c1/C=N/c1ccc(C)c(I)c1 669821 GCLUYCJKIVFLAO-CIAFOILYSA-N 401.247 5.512 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 843463 JPZSBOKZNDIKNH-ZVHZXABRSA-N 405.454 5.238 30 40 HKEB CCc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 1444714 PSQPNZRTXWGCBH-BUVRLJJBSA-N 404.422 5.136 30 40 HKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 3115506 FETXITVYELCJJX-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1C1CCCCC1 3429638 MXALFLAUHTZJOF-UHFFFAOYSA-N 417.578 6.154 30 40 HKEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc2ccccc12 4436024 XJIDGSAGJNKPMU-IQGLISFBSA-N 406.489 5.155 30 40 HKEB O=C1C(O)=C(C(c2ccccc2)c2ccccc2)C(=O)c2cc(Br)ccc21 5479633 CKLVCECUVUGTGQ-UHFFFAOYSA-N 419.274 5.472 30 40 HKEB CCCCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 6274002 SIVHQPOUCXNTGM-LWROZRRASA-N 407.583 5.317 30 40 HKEB COc1cc(C)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1C(C)C 8399606 WWDLRUCZNAAYJK-VNSYZNKPSA-N 424.522 5.059 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9422635 RIEISXWLFJQRSI-VULFUBBASA-N 423.512 6.299 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Cl)c1 33377774 IYTWSELXJVPDJZ-QPSGOUHRSA-N 417.148 6.870 30 40 HKEB CCN(CC)[C@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)C)cc1 35672577 TYJYJEFCWKBEKG-JOCHJYFZSA-N 403.530 5.227 30 40 HKEB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@H]2O[C@@]23C)c1 101594750 CSMZFWICBSTSSS-YOBDYAKVSA-N 414.542 5.090 30 40 HKEB CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)c1ccccc1 104352229 JBYGIIATBIZDTK-UHFFFAOYSA-N 415.642 5.792 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1 225751798 GWZCGIBVLINJQK-MRXNPFEDSA-N 400.544 5.096 30 40 HKEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)ccc1OCc1ccccc1 408979271 LXZCZXTVOUEFBG-UHFFFAOYSA-N 407.473 5.457 30 40 HKEB Fc1ccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 409041449 ACGHIMLRECOQKA-WMDMUMDLSA-N 412.280 5.119 30 40 HKEB Cc1ccoc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409296723 RDHPSPATFGWXLD-UHFFFAOYSA-N 403.825 5.247 30 40 HKEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409335308 UWSJGGIYIRYQIU-ODLFYWEKSA-N 406.419 5.120 30 40 HKEB N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1[C@@H]1CC=CCC1)CCC2 859218 DVKJGVXAUTXLCI-MRXNPFEDSA-N 408.954 5.894 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nc2sc(C)c(C)c2c1=O 2263451 YSYRJURNCMQHGC-UHFFFAOYSA-N 411.379 5.860 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc4ccccc4cc3O)nc2c1 3083638 BZFCADGKUFUXMX-LGJNPRDNSA-N 414.848 6.463 30 40 HKEB Cc1ccc(CO/N=C/c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)cc1 4013242 QNDLRJYMVQKFMH-YZSQISJMSA-N 413.546 6.097 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 4554196 YNBSOCWRJULGQW-NXYZXBHKSA-N 422.525 6.024 30 40 HKEB O=C(Nc1cccc(/N=C/c2ccc([N+](=O)[O-])o2)c1)c1ccc(Cl)cc1Cl 8377804 VTRHQUQAFUOJLA-UFFVCSGVSA-N 404.209 5.498 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1cccc(Cl)c1 8812006 QVOINMAMMDQFOM-RWPZCVJISA-N 422.359 6.429 30 40 HKEB CN1C(=O)[C@]2(Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 55104760 NUXBXQWKQMMKQW-MHZLTWQESA-N 408.501 5.280 30 40 HKEB CCCCCCCCC(=O)OC[C@H](C)OC[C@@H](C)OC(=O)CCCCCCCC 100050296 FJSNTQXNQNSZJS-FCHUYYIVSA-N 414.627 6.368 30 40 HKEB Clc1ncc(Cn2cc(/C=N/Cc3ccc4c(c3)OCO4)c3ccccc32)s1 100404601 BIWMMYAQPUCNEH-NUGSKGIGSA-N 409.898 5.147 30 40 HKEB CC/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1ccc2c(c1)OCO2 103371406 JDHCQABHSPRKHU-SBZODFPESA-N 420.321 5.055 30 40 HKEB CCCCCCCCCCCCCC[C@H](CO)CCCCCCCCCCCC 103839708 DEMBLPGWNXUBIQ-MUUNZHRXSA-N 410.771 9.997 30 40 HKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccccc3OCc3ccccc3)C2=O)s1 138048569 IBNZORNCZRWCBU-NQDHANQRSA-N 421.547 5.097 30 40 HKEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408708701 LCSHDLXCQSWXTA-UHFFFAOYSA-N 406.876 5.554 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)c2C)c1 408761722 BBQJWOPIGBFEIW-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408821601 JIVACTFSMLQCQO-CVXQDMMISA-N 411.486 5.398 30 40 HKEB C=CCc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1OCC(=O)O 408853644 VUIYGENPFSAHLJ-YZSQISJMSA-N 416.477 5.059 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1[N+](=O)[O-] 408980768 XGPAYKXGKHQHLO-ZVHZXABRSA-N 421.522 6.525 30 40 HKEB CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(OCC)cc2)OC1=O 409008973 PLUJUKRYXZTJRO-PYCFMQQDSA-N 407.510 5.779 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409214749 UCDQBOGEDCPJPV-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889186948 VIELWYIXEODCTJ-MTZTUEIHSA-N 405.626 6.748 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1ccccc1 1079923 BIFUIQKUXAVZIL-MRXNPFEDSA-N 413.439 5.869 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc2ccccc2c1 1440265 JFDHLSJSCLORCK-NFKSOIJDSA-N 412.489 5.071 30 40 HKEB CC(C)C1=C(Cl)C(=O)[C@](Cl)(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 2243798 JITSQOKWXVCCCQ-HXUWFJFHSA-N 408.712 5.496 30 40 HKEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 4357275 RQVCYKXMKLPQBU-UHFFFAOYSA-N 405.445 5.451 30 40 HKEB Cc1ccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)[nH]c2-c2ccc(C)cc2)cc1 8397132 KDBYPRYJIIDKEN-UHFFFAOYSA-N 424.547 7.427 30 40 HKEB CC[C@@H]1CCc2nc(SCc3ccc(C(=O)O)cc3)c(C#N)c(C(F)(F)F)c2C1 8451255 BPQNPTIDRDWMJC-GFCCVEGCSA-N 420.456 5.477 30 40 HKEB COc1ccc(CNc2oc(-c3ccc(COc4ccccc4C)o3)nc2C#N)cc1 8654804 DTBAXTFELVMNHS-UHFFFAOYSA-N 415.449 5.314 30 40 HKEB O=C(C(=N\Nc1cccc(C(F)(F)F)c1)/C(O)=N/c1ccc(F)cc1)C(F)(F)F 8873042 APFSBSFSPXELFN-UVHMKAGCSA-N 421.272 5.032 30 40 HKEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 9484284 MHAAGPXGDFZURR-BXKMTCNYSA-N 424.460 5.079 30 40 HKEB Cc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33658741 JNSGQDXGOZIIKX-NEHLPSIOSA-N 415.474 5.712 30 40 HKEB Clc1cccc(Cl)c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 59425588 YXPMTBYFZGAWBX-AFUMVMLFSA-N 409.341 7.535 30 40 HKEB C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 72328178 WPYONZVQFLCBLU-GBYSFBBLSA-N 415.606 6.971 30 40 HKEB CCCCn1c(/N=C/c2ccccc2C)c(C#N)c(-c2ccccc2)c1-c1ccccc1 100176590 ITFWBRJHYYNIKC-NJZRLIGZSA-N 417.556 7.553 30 40 HKEB COc1ccc(C2=C(Nc3ccc(Br)c(C)c3)c3ccccc3C2=O)cc1 101093052 QOHYGTZIZVYVNI-UHFFFAOYSA-N 420.306 5.943 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 245229192 PZMASCFNOYVBCT-HECRVTJKSA-N 406.957 6.377 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 408761989 IRFLCJMOTPWKEV-KQWNVCNZSA-N 414.530 5.720 30 40 HKEB Cc1ccc(/N=C\c2cc(Br)c(I)o2)c(C)c1 408854546 HZFPAANSGKZRRD-APSNUPSMSA-N 404.045 5.014 30 40 HKEB O=C1/C(=C\c2ccc(F)cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408910105 WGWFALPDPIAEFG-GVPYCIPCSA-N 402.494 5.672 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2CC(C)C)cc1 408912677 LKOKTBVNHXYWFH-ZHUAHHRVSA-N 400.931 5.614 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c1C 408960418 LNJXWMCCADJPKR-PPDIBHTLSA-N 400.448 5.825 30 40 HKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1C 409104071 IMUFQPYWOGKSOB-NSKAYECMSA-N 406.839 5.916 30 40 HKEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 409201295 LDSRGGLDKGSJKT-UFWORHAWSA-N 417.528 5.933 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409211781 KCFSHEXAPOTVEW-ZVHZXABRSA-N 410.857 5.977 30 40 HKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 409211982 PAAIAZLGSZVDGD-OVVQPSECSA-N 409.489 6.032 30 40 HKEB COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cl)cc(Cl)c1O 864861 WVZHWZVTTWQDOC-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB COc1ccc(-c2csc(N/N=C/c3c4ccccc4cc4ccccc34)n2)cc1 4186820 GXWXEBVEARXKDF-CVKSISIWSA-N 409.514 6.571 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 5376567 GAFQYMVDYWVSHU-XDHOZWIPSA-N 410.882 5.500 30 40 HKEB CCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n12 6620736 KIGWXAPJAGINTQ-UHFFFAOYSA-N 416.956 6.514 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccco2)cc1 8972523 OXSMJKJXVFLUDI-UPCLLVRISA-N 411.461 5.054 30 40 HKEB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CNC/C1=C/c1ccc(Cl)c(Cl)c1 16957515 GJPXGFGIFQWUOC-GFIWHYBVSA-N 413.131 5.940 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N(C)Cc4ccccc4)o3)o2)c1 33027168 BFCREQLEAZIAPB-UHFFFAOYSA-N 413.477 5.639 30 40 HKEB COc1cc(/C=N/OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(F)F 36757164 XUEBOVHEABDPNB-PGGKNCGUSA-N 408.788 5.156 30 40 HKEB Fc1c(F)c(F)c(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(F)c1F 97958036 RSFSKGADGCACJG-OAHLVZFQSA-N 420.259 6.107 30 40 HKEB CCCCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 104213487 STSVSXDVCDJSTJ-ULJHMMPZSA-N 412.624 7.595 30 40 HKEB CCCCOC(=O)CCCCCCC/C=C\[C@H]1C=C[C@H](CCCC)[C@@H](C#N)[C@H]1C#N 104261990 OUCFEMDIOMPJEK-YUECZVSBSA-N 412.618 6.889 30 40 HKEB CN1/C(=C/C=N/c2cc(C(F)(F)F)ccc2C(F)(F)F)C(C)(C)c2ccccc21 105401799 JVCYDYDCANOLHG-LGZQUSSVSA-N 412.377 6.738 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757525 BLRVOYCRZQIKSA-UHFFFAOYSA-N 421.497 5.342 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226337710 SQLDHOCSWMSDFX-VAWYXSNFSA-N 408.881 5.823 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 245241748 OCCYLBDLKHPVGI-UKUIUATGSA-N 413.001 6.306 30 40 HKEB biogenic COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl 408801764 VPTGMBNPIBMGMY-MXAYSNPKSA-N 412.848 5.256 30 40 HKEB C#CCOc1c(Cl)cc(/C=N/N(c2ccccc2)c2ccccc2)cc1OCC 408815129 ILXAEFDHHWCXDG-NLRVBDNBSA-N 404.897 5.923 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2CC(C)C)cc1 408907955 CSNFVWPDOZMZTE-HTQRFZLASA-N 403.551 5.747 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 408916626 YOZGDNZUEAAXTC-SEQIRSFSSA-N 402.922 6.190 30 40 HKEB COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)c(OC)c1 704894 FCLFKQSDVHZVMS-AREMUKBSSA-N 413.517 6.167 30 40 HKEB N#Cc1c(NCc2c(O)ccc3ccccc23)sc2c1CCCCCCCCCC2 2249028 USMDRONJMQJULI-UHFFFAOYSA-N 418.606 7.310 30 40 HKEB Cc1cc(C(=O)CC(C#N)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1 3324754 AFIXURFUMCWRJZ-UHFFFAOYSA-N 422.503 6.316 30 40 HKEB C#CCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N 5394311 BCQSKBZJQNKPBX-VCFJNTAESA-N 406.554 6.636 30 40 HKEB C=C(C)CSc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1Cc1ccccc1 6205344 NNUWIMFZISWSJH-UHFFFAOYSA-N 418.587 6.150 30 40 HKEB CSc1nc(Sc2ccc(Cl)cc2Cl)c(C#N)c(-c2ccc(C)cc2)n1 12955180 JROMHHFKARCFAS-UHFFFAOYSA-N 418.374 6.504 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(C#N)cc2)c2ccccc12 20763589 NOVCPRYXWOMNBB-STBIYBPSSA-N 408.505 5.002 30 40 HKEB N#CCCn1cc(CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c2ccccc21 22357369 NHNHHHJTTLCRFT-VWLOTQADSA-N 418.544 5.958 30 40 HKEB CCOc1cc(/C=N\Nc2cccc(C(F)(F)F)c2)c(Br)cc1OC 33382125 XTPZOBYHROXKND-YVNNLAQVSA-N 417.225 5.321 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 33717364 VMIZIHGVXSFMMN-JVWAILMASA-N 408.904 6.931 30 40 HKEB FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F 95681862 LYMIGLGNHPPIQP-UHFFFAOYSA-N 400.056 5.082 30 40 HKEB CCSc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC#N)CCC#N)cc1 95997171 RRVHYXYTIQLKIC-UHFFFAOYSA-N 415.566 5.281 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn23)c1 103423076 PWLRATBJLZHMGG-FSJBWODESA-N 411.248 5.967 30 40 HKEB CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@H]2CCCC[C@@H]2C1 104377646 RRAUVBZLIQRUAF-VSGBNLITSA-N 406.763 8.905 30 40 HKEB O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCCC4)cc3)cc2)cc1 137443143 BXUYPIZXKHEAHD-JJIBRWJFSA-N 403.507 6.097 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1COc1ccc(F)cc1 223689960 LONBSTZEIYHXMU-UHFFFAOYSA-N 416.481 5.094 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC 408557954 QXQDLLCOEJHVLM-UHFFFAOYSA-N 419.477 5.703 30 40 HKEB COC(=O)c1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 408806596 FQXIPMNQSKMVOO-MYYYXRDXSA-N 424.566 5.227 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408909009 BLHYJENHUKBXFX-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC 408939101 LSPDPMMRJBHDNW-OSMVQZBISA-N 424.544 6.589 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408946120 XZFWWHQJLBCCQN-SACFXMDXSA-N 422.572 7.361 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1Cl 408954460 WYAUBYWFNFYFIF-BHGWPJFGSA-N 401.293 6.158 30 40 HKEB Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c3ccccc32)c1 409000174 MTFFBEKINVZYBZ-IWIPYMOSSA-N 423.541 5.890 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=S 409234396 WJCJASGLVPUNBY-DEDYPNTBSA-N 408.523 5.216 30 40 HKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 856591 QBSJFKJZZFWLNK-HJPURHCSSA-N 406.938 6.381 30 40 HKEB Fc1nc(F)c(F)c(Oc2ccc(Oc3c(F)c(F)nc(F)c3F)cc2)c1F 2200055 QMRGVHJJWINRIE-UHFFFAOYSA-N 408.204 5.174 30 40 HKEB C[C@@H](Oc1ccccc1)C(=O)Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N 2768999 ZISOTKBCRBOHIQ-GFCCVEGCSA-N 417.317 6.000 30 40 HKEB CCOC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CC(C)(C)C/C3=N\O)ccc1O 4728689 AERHYXPCJFPYBL-LHLOQNFPSA-N 418.493 5.177 30 40 HKEB CC(C)=CCCC1=CC[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 4816262 PTCHRNVRDYQMRO-IAHYRBLMSA-N 422.504 5.275 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@@]21C 5497693 MKHNPPYVMVKVJL-ODXVTFCYSA-N 422.682 7.814 30 40 HKEB Clc1ccc2nc(N/N=C/c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1 8381626 BBZZACKEAGNELV-MZJWZYIUSA-N 410.868 5.339 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 9196677 VABQMQDWCDKHBA-DHRITJCHSA-N 416.352 5.923 30 40 HKEB C=CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nc2ccccc21 9864424 NNZWIZAFLORHHZ-HNNXBMFYSA-N 422.579 5.144 30 40 HKEB COc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1Br 16226575 IZWGFXNPJHJCRD-CNHKJKLMSA-N 419.500 5.330 30 40 HKEB C[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC(C)(C)C 18613395 YHCYKFAEWKYLQS-SNVBAGLBSA-N 413.490 5.096 30 40 HKEB O=C1/C(=C\c2ccc(F)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)cc1 19624940 AFHBQPKDEDQKJJ-OQRYGUKSSA-N 401.456 5.517 30 40 HKEB CCCCCCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 53307387 FBJIOJDLJFZPES-UHFFFAOYSA-N 415.628 6.462 30 40 HKEB Cc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccccc4)c(C)s3)cc2)cc1 59193896 QPLJYJWUXRTLAK-WGOQTCKBSA-N 413.546 6.452 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 100137768 GLOABBQFENJIPL-BFFNPARHSA-N 413.448 5.317 30 40 HKEB CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 100239716 GDNRFAFLQGQRJJ-UHFFFAOYSA-N 420.509 6.133 30 40 HKEB CCCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 102562089 XPQNHWBAXQNPRY-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB CCCCCCCCCCCCCCCCn1/c(=N/N=O)sc2ccccc21 104110395 OZERAVLLCRNHBZ-VHXPQNKSSA-N 403.636 7.766 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 225656794 QBVIGAIFUKCFQE-LJQANCHMSA-N 409.599 5.535 30 40 HKEB N#CCc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225853033 MTKZJTKKQNUWRD-UHFFFAOYSA-N 403.473 5.527 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(C)c1 408589658 FHQFGQFIYAYJSM-JVWAILMASA-N 400.478 5.395 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NC1CCCCC1 408819047 XVQNXUPWDNKDND-CFRMEGHHSA-N 405.325 5.572 30 40 HKEB COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C(=O)O)c1 408853513 OXCKPEYQVGBDBV-YUMHPJSZSA-N 417.505 6.021 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408914613 OKMJXXONYJVRLJ-NFYBBCHUSA-N 411.483 5.013 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2Cl)cc1 408959517 AFWWSGDVWNTEMR-MSXFZWOLSA-N 400.261 6.021 30 40 HKEB CCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 409154048 JQLJZEAIQCOHEB-UQRBVYKBSA-N 403.551 6.236 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 2076758 WMYANRVOYOUGCS-OGLMXYFKSA-N 408.457 6.253 30 40 HKEB N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Cl)c3Cl)s2)cc1 3413417 OCSSTWSRCBBMQY-UHFFFAOYSA-N 421.334 5.261 30 40 HKEB O=C1C2=C(N=C3C[C@H](c4ccccc4)CC(O)=C3[C@H]2c2ccccc2)c2ccccc21 4678975 BEGJEBNQQIAQSS-YADARESESA-N 403.481 6.222 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C2/C=C(c3ccccc3)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 5340155 PAZRWZCIHGKQQI-JHGYQWQCSA-N 414.421 5.542 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1Br 6474268 XXEAWZQAZUCJCN-UHFFFAOYSA-N 414.100 5.812 30 40 HKEB Oc1cc(Br)c(/N=C/c2cc(Cl)ccc2O)c(Br)c1 6505449 PFKIHRMKKUZVCE-UBKPWBPPSA-N 405.473 5.027 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CCCCC1 6658492 BFYFWQHHLYQYQO-IBGZPJMESA-N 401.337 6.476 30 40 HKEB C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OCC 7007300 MXPFETQNXUCUPW-BJMVGYQFSA-N 403.272 5.014 30 40 HKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3)c2c1 7452723 ZPZVZHNISQQFCI-UHFFFAOYSA-N 413.473 6.316 30 40 HKEB biogenic N#Cc1c(SCc2ccc(C(=O)O)cc2)nc2c(c1C(F)(F)F)CCCCCC2 8451256 YTZAMFKRMIVOST-UHFFFAOYSA-N 420.456 5.622 30 40 HKEB Clc1ccccc1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc12 8811979 KSPFTEFLVLLJPX-OGLMXYFKSA-N 400.909 6.196 30 40 HKEB Cc1ccc(Cn2c(C)c(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)cc1 10119159 UELFPMMXQWBQLQ-LQKURTRISA-N 401.941 6.084 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OC(=O)C3CCCCC3)ccc21 13769828 GLDMGZAKXLVAEN-NDENLUEZSA-N 400.833 5.581 30 40 HKEB Cc1cc2nc(-c3cc(/N=C\c4cccc([N+](=O)[O-])c4O)ccc3O)oc2cc1C 14920102 SYJQMDFRFMFLEG-KSEXSDGBSA-N 403.394 5.182 30 40 HKEB COc1cccc(/C=C2\CCCC/C(=C\c3cccc(OC)c3OC)C2=O)c1OC 17380144 LIURKLRYLCGHBR-YTEMWHBBSA-N 408.494 5.331 30 40 HKEB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 19771439 YPUNKDAXMIVCFB-QHCPKHFHSA-N 421.562 5.138 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408533383 QSMSWUVOOGQDNV-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 408593306 PGTAQRKXHWBWIC-AFUMVMLFSA-N 400.438 5.101 30 40 HKEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 408719226 NVZYCTCRUVLGOM-WYMPLXKRSA-N 405.410 5.015 30 40 HKEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409093150 YKEVPURGNFQURQ-PGMHBOJBSA-N 412.876 5.187 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 409103804 ZBWZUGFFZYQCAS-RCCKNPSSSA-N 423.534 5.449 30 40 HKEB CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br 409202603 RZULMHRIYANTEZ-KEBDBYFISA-N 411.137 5.978 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCC 409212256 OIBJKWNNFMUEIS-CIAFOILYSA-N 423.294 5.456 30 40 HKEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 3649331 KJUITCGZDLVTAW-FHLIRTJZSA-N 421.305 5.537 30 40 HKEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 8735944 RZNHMRIHOMSCKF-UHFFFAOYSA-N 416.502 5.264 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c1OC 8991756 XRLJAQJFAUZDKW-IRDHKZPBSA-N 414.457 5.412 30 40 HKEB CCN(CCC#N)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c(C)c1 9117953 OSYDPUDPRHKUDZ-NBVRZTHBSA-N 405.523 5.360 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2ccccc21 9421030 GPMOMLNFTXAPMV-VULFUBBASA-N 409.485 6.165 30 40 HKEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 13769696 OJFZBEZEQLNAPI-HEYHWPDRSA-N 406.840 6.231 30 40 HKEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20650830 OBEOHKSOILYDOM-RBFBNPFJSA-N 401.865 5.175 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C2=O)c2ccccc21 28182528 UVHCOGKSLKLNKX-YSMPRRRNSA-N 423.512 6.473 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 102561886 RUOPADYVTAJGFJ-UHFFFAOYSA-N 424.412 7.031 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccc3cccnc23)cc1 104104018 GNISQFJOLLZECU-XYGWBWBKSA-N 401.491 5.095 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 408743168 VAQKZOYSCSWBJA-MOSHPQCFSA-N 424.909 5.890 30 40 HKEB Cc1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1I 408851375 YERVMEGDNMOUCU-MTJSOVHGSA-N 420.681 5.794 30 40 HKEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OC 408961107 ADFBBWYRTSMFRT-MHWRWJLKSA-N 423.321 5.292 30 40 HKEB CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)=O 409210281 JCAQSNAUZNKNSY-IOFNULOHSA-N 424.566 5.845 30 40 HKEB CC(C)(C)n1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385582 VXKLRWWCWFICOG-OGLMXYFKSA-N 420.516 5.655 30 40 HKEB CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](C)O3)cc1 4615366 KDHIJIWTVNWYFK-OWJWWREXSA-N 400.478 5.279 30 40 HKEB Cc1c(Cc2ccccc2Cl)c(NCC(C)C)n2c(nc3ccccc32)c1C#N 5248843 LBKGLEXUDLUATF-UHFFFAOYSA-N 402.929 5.980 30 40 HKEB COc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 6170068 YHIWOJZZNKBPBS-FBCYGCLPSA-N 405.075 5.152 30 40 HKEB CC(C)(C)C1CCC2(CC1)O[C@]2(C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1 9419206 NSOFHBYBHURKEI-GSGOXKDTSA-N 404.963 5.149 30 40 HKEB C(=C\c1ccccc1)\C=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 17355098 STBXUDANNKPDBL-UIUJYVNLSA-N 402.541 7.309 30 40 HKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC 20196235 SNEXVUQDOIWBGF-VULFUBBASA-N 411.933 5.197 30 40 HKEB O=C(C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O)c1ccccc1 32950906 YYNSYFQIQWURIN-UHFFFAOYSA-N 413.857 5.129 30 40 HKEB O=C(/C=C/Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 51318606 IDOXNGPGOKHVQZ-BQYQJAHWSA-N 404.613 5.930 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(Cl)c1 102148715 UGIWNWDCOIFEQC-MGXYOJEMSA-N 415.971 5.724 30 40 HKEB Cc1ccc(Cc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 223672798 LYNSAFFTKMAHAK-UHFFFAOYSA-N 415.349 5.429 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F 225955664 WIBFXZXZAMPPBG-UHFFFAOYSA-N 419.443 5.266 30 40 HKEB Clc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408723313 TVNCGMNLILVKHI-AFUMVMLFSA-N 409.341 7.535 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1Cl 409203038 VSUMOVJPFPNKDH-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c[nH]c2ccccc12 409285879 PBDIXJPOHCLNHY-UHFFFAOYSA-N 404.429 5.173 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OCC 409343455 HDXQWUFTDKYSFR-XSFVSMFZSA-N 411.548 5.364 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OC)C2=C1CC(C)(C)CC2=O 780237 HLUUVVFJVAYPEU-UHFFFAOYSA-N 407.554 5.401 30 40 HKEB COc1ccc([C@@H](C#N)c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 1389530 DTSHWHKHOGUNEM-CYBMUJFWSA-N 411.305 5.331 30 40 HKEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 2713716 PVCOVDZULUDBHH-LICLKQGHSA-N 405.306 5.641 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3Cl)nc2c1 3162592 HDFLXXADFQSYSN-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)(C)C 4425636 ADSXFPHNMCPJSW-STVNMGNLSA-N 415.618 6.052 30 40 HKEB Cc1ccc([C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c2cccs2)cc1 8704806 FOJHMIYKYWTYQQ-QFIPXVFZSA-N 421.591 5.246 30 40 HKEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 9195278 CFAMKAJDLQLNON-DHRITJCHSA-N 415.320 5.705 30 40 HKEB C=CCn1c(C)cc(-c2csc(NC(=O)Cc3sc(=S)[nH]c3C)n2)c1C 10256626 FBXMDTCHDABAQW-UHFFFAOYSA-N 404.586 5.023 30 40 HKEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 12956144 DOIDLGYSKWZPPY-UKWGHVSLSA-N 416.102 5.287 30 40 HKEB CCCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 13148421 XKNSSFDPXBKJRM-RUDMXATFSA-N 420.259 5.051 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1 13810329 VFCFGAJVMSPPKU-SFQUDFHCSA-N 412.923 5.976 30 40 HKEB C/C(=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(F)cc1 15011459 NEABTUADXUHUSO-OKCVXOCRSA-N 413.460 5.334 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)C[C@@H](C)C4)o3)o2)cc1C 33027132 MIUPWXZLPCAYPZ-IYBDPMFKSA-N 405.498 5.484 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(OC)cc2)NC1=O 83292149 WHZUKXBQGWSBSC-KGENOOAVSA-N 404.491 5.139 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1OC(C)C 100282673 PHXNKSRGAJLFMZ-UHFFFAOYSA-N 417.678 8.674 30 40 HKEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 100506272 QUWFOUHCMBMNPO-FSJBWODESA-N 407.451 5.426 30 40 HKEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1C 101650610 FSWMGGAWMMOQIC-XMVGPFMNSA-N 409.555 5.017 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409088502 FUCIGRQTZNPSFP-MTDXEUNCSA-N 402.582 6.457 30 40 HKEB CCOc1cccc(/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1 409184758 MWTIGGFFKAFWMO-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F 409384636 DQXXISRBUJWNID-ROTLSHHCSA-N 417.267 5.901 30 40 HKEB Cc1cc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)ccc1Br 636694 HWULPRRGXWWXTM-UHFFFAOYSA-N 420.306 5.628 30 40 HKEB O=c1c(/C=N/c2ccc(Cl)cc2)c(Nc2ccc(Cl)cc2)nc2ccccn12 1244192 JGGZKSRJSHJOJF-ZMOGYAJESA-N 409.276 5.496 30 40 HKEB O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)Sc2ccccc21 2068758 CXAOGIXDVASSPK-JAIQZWGSSA-N 420.402 5.625 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 2260108 AJDWCAPTDNGUFZ-VDFJPTLYSA-N 415.562 5.701 30 40 HKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 4081763 GRBHNQFQFHLCHO-FBJARBBYSA-N 424.713 8.233 30 40 HKEB biogenic Cc1ccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCCCCC3)c(C)c2)cc1 4457659 VPIICYYAXFUGRJ-UHFFFAOYSA-N 421.544 6.887 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 4611015 RIRWPVRZGCNHFA-SAPNQHFASA-N 403.437 5.537 30 40 HKEB CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)C(C#N)(C#N)C1(C#N)C#N 4722262 JHXZJCCNJJAREJ-NHCUHLMSSA-N 408.546 5.641 30 40 HKEB C[C@@H]1CCC[C@@H]1/C(=N/S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 4974957 NBQUCXZYAGHOST-IAADXIDXSA-N 403.375 5.003 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC/C=C/c1ccccc1 6548435 XUDPDQNCEKMOJC-XBXARRHUSA-N 402.466 6.506 30 40 HKEB NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16384967 RVKLOTBGSADEIT-AERZKKPOSA-N 423.152 5.046 30 40 HKEB Clc1ccccc1/C=N/C(/N=C/c1ccccc1Cl)c1ccccc1Cl 17820285 OMGKAWIKWIBLGX-BKHCZYBLSA-N 401.724 6.884 30 40 HKEB CN(C)[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1Cl 27991168 MICDALOUKFQJOL-GOSISDBHSA-N 401.297 5.235 30 40 HKEB COc1cc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)cc1O 35189673 YVJHSRLHGBJOOX-QDPJQKAKSA-N 416.680 5.075 30 40 HKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(OCc3ccccc3)cc2)cc1 44842969 RPRSQCPFENEPFK-ISLYRVAYSA-N 401.506 6.253 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1 100045651 JMUOXOJMXILBTE-UHFFFAOYSA-N 423.726 8.100 30 40 HKEB O=C(N[C@H](c1ccccc1)[C@H](/N=C\c1ccccc1)c1ccccc1)c1ccccc1 104154659 RYDILFMFMIUVNX-PSHFTHFFSA-N 404.513 6.018 30 40 HKEB O=C1N(c2ccccc2)C(=N/c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 104234482 ANNODTFQNIALEM-XQHINZDJSA-N 416.484 6.594 30 40 HKEB CC(=O)[C@H]1[C@@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118920568 KKCSMFAZRNSRNN-LVGZHWDBSA-N 400.632 5.276 30 40 HKEB CCCCCCCCCCCCc1cc(-c2cccs2)sc1-c1cccs1 136956817 ALAWLNQNICRFKP-UHFFFAOYSA-N 416.721 9.669 30 40 HKEB O=C(Oc1ccccc1/C=N/c1ccc(F)cc1)c1sc2ccccc2c1Cl 408733629 NCCQKOLWYKDKOY-DHRITJCHSA-N 409.869 6.664 30 40 HKEB CCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 408951194 ICHGSUSHJUWMMW-OUUDUQSLSA-N 417.534 5.500 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 409117583 PHVPJIFTAUNROA-UHFFFAOYSA-N 423.148 5.398 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 409133363 SRVXCDFWGSJYGV-UHFFFAOYSA-N 409.529 6.604 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2OC)cc1 409247072 BACULNGVHJCWKE-ZXVVBBHZSA-N 416.521 6.237 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccccc1C(F)(F)F 720609 IAZGPNHXSNGOFF-QFIPXVFZSA-N 422.450 6.454 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3C)nc2c1 3030270 JZZYDHVMCRSBAO-WYMPLXKRSA-N 405.841 6.424 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3ccccc23)C2=C(CC(C)(C)CC2=O)N1 4624824 UZVQHPPOXFEESS-HSZRJFAPSA-N 403.522 5.395 30 40 HKEB COc1ccc(/C=C/c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n23)cc1 5693815 UTZXUXCAZABXCH-SDNWHVSQSA-N 401.469 6.205 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cc(C=O)c4ccccc43)c2C#N)C1 6323273 UJBUOSIVQPHCPI-INIZCTEOSA-N 419.550 5.177 30 40 HKEB Cc1noc(C)c1COc1cccc(C(=O)N2CCCS/C2=N\c2ccccc2)c1 12529193 ISJUACUJEKYWAY-VHXPQNKSSA-N 421.522 5.137 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)cc2)cc1 13576723 HQBJGKQETUVJFM-YWROOUKNSA-N 400.503 5.818 30 40 HKEB CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 16735767 LPHIUZRNJOJTPB-XMMPIXPASA-N 411.501 5.336 30 40 HKEB CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 70687511 COVRGLNJQIFMIC-YJUNHESCSA-N 418.581 5.673 30 40 HKEB biogenic Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@H](C)CC(C)(C)N2C(C)C 223587483 YBFWWCTYECHILZ-YFHGFKKUSA-N 419.613 6.083 30 40 HKEB CCCCCCCCc1ccc(N=[N+]([O-])c2ccc(CCCCCCCC)cc2)cc1 299888561 OFYPIEJDOXRDDB-UHFFFAOYSA-N 422.657 9.418 30 40 HKEB CC(C)Oc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(O)c1 408588099 HVFAZRLGBJNGDT-STBIYBPSSA-N 422.484 6.729 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 408708379 YPYWWFAEWIDIHM-UHFFFAOYSA-N 411.384 5.425 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408861140 NWWZUDLHSRYJFA-BGVWXJRNSA-N 406.551 5.878 30 40 HKEB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1C#N 409116635 KXVXJZRMWHHOLN-HAHDFKILSA-N 424.500 5.443 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 409169300 WXHXAKNBTROKTR-RGVLZGJSSA-N 420.877 5.708 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C 409203233 WCDPSXJRAYNDGM-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409212376 QTXKQWQPAUSAEY-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@@H]12 1889146247 OCCYLBDLKHPVGI-LPERDOCSSA-N 413.001 6.306 30 40 HKEB N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1nc2ccccc2s1 2346497 WHZCZZWGDWDBOR-UHFFFAOYSA-N 408.533 5.022 30 40 HKEB N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCC2 2752908 VWKVLLIDQZWVEV-UHFFFAOYSA-N 423.365 5.993 30 40 HKEB Cc1ccc(-c2nc3c(C)cccc3o2)cc1/N=C/c1cc(Br)ccc1O 3043819 MHYLCVCNNTYBJX-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB Cc1cccc(N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1 4357940 RXDHAEBKYDBTMI-JVWAILMASA-N 414.892 6.467 30 40 HKEB Clc1ccccc1/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4579302 SHNPPTOXEYYDBE-IWIPYMOSSA-N 415.888 5.458 30 40 HKEB CC(C)n1cc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c2ccccc21 5516566 UJANEOQAVHISRO-KKMKTNMSSA-N 411.534 6.340 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(Br)c3)c12 12687307 BOGYDRVDCBJGOW-VAWYXSNFSA-N 420.310 5.442 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1 13681433 POAHUOCYHXRZFD-QIRWMKMZSA-N 414.457 5.412 30 40 HKEB O=C1/C(=C(\Br)I)c2ccccc2-c2ccccc21 16958689 LCNOYWWCZYMTFN-FYWRMAATSA-N 411.036 5.048 30 40 HKEB Cc1cc(C)cc(O[C@@H](/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 17378316 KLUSZYSLMARHPA-CIPMJJFUSA-N 400.435 5.011 30 40 HKEB CCCCCCCCCCCCCCCCNCc1ccc(OCCCC)cc1 100023507 VADYIMYGOUICRI-UHFFFAOYSA-N 403.695 8.436 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCC 408532868 PNVQZCLYEIRDPR-PDGQHHTCSA-N 416.930 5.337 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C 408561061 XMZRBBIQFJJCJR-UHFFFAOYSA-N 415.390 5.366 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O 408915651 ZEKNXYIABUFNCP-OQNHBUHUSA-N 416.546 6.035 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408960823 OJNTXBMABLKYDH-KOEQRZSOSA-N 417.534 6.405 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)SC1=S 409004309 ABEHNJZNJVWLLK-ZDLGFXPLSA-N 414.939 5.012 30 40 HKEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 409064132 BUJZOYIHSCXSJD-ZVHZXABRSA-N 420.421 5.021 30 40 HKEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1 409083278 VAPYZNPNGMVGGV-NLTKLDOMSA-N 423.626 6.376 30 40 HKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(C)cc1 409111811 CUWHODJPTSPBKR-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)o1 409154713 KJDYJXXPVHUQFU-SAPPFYIZSA-N 419.462 5.397 30 40 HKEB C=CCn1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409404976 RUQRAKDORXPBCB-UHFFFAOYSA-N 404.473 5.086 30 40 HKEB CCCCCCCSc1nsc(NC(=O)Nc2cccc3ccccc23)n1 3035281 HTIWFLCYHOGVLO-UHFFFAOYSA-N 400.573 6.398 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 4544184 VIMTWHUJXXKFTN-PXFLKNCJSA-N 422.550 5.395 30 40 HKEB Cc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1Br 8811525 RBWFKUVLAAZXOW-UFWORHAWSA-N 416.544 5.297 30 40 HKEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Br)cc2)c1O)CCCC3 9065066 RLUQSFRGGIVKNI-UFFVCSGVSA-N 415.243 5.439 30 40 HKEB CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C/c2ccc(OC)cc2)c1O)CCCC3 11866521 XTPSSCCUJOLMAM-SDNWHVSQSA-N 418.489 5.235 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 12650710 QMPRLLRFFNIRIX-LGJNPRDNSA-N 424.382 6.208 30 40 HKEB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1Cl)C1=C(N2)c2ccccc2C1=O 13123325 ZUWTUMOFLHZZRE-NRFANRHFSA-N 424.891 5.394 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(O)c(-c3nc4c(C)cccc4o3)c2)c1O 36011506 GLZDURZFJMTJNI-FOKLQQMPSA-N 403.394 5.182 30 40 HKEB Cc1ccc(/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 59461423 MSZWSLXCBXFNFN-DAFNUICNSA-N 423.285 5.564 30 40 HKEB C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408903223 VXMCRMWEUVTXTI-LFIBNONCSA-N 420.342 5.411 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1cc(C)ccc1C 408906457 BPPOAGDRXWOCCJ-HPGAWOKTSA-N 405.350 6.234 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2)C(=O)N1C1CCCCC1 408912014 LPGOBLIRFNNOCJ-OBUXZSPNSA-N 420.578 6.194 30 40 HKEB CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 408916187 VTNVUPAOMSUAOL-FWBDJVAPSA-N 405.350 6.316 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br 409111447 IUCTWYVNRXNQHI-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 409218345 ULRAPYGWSPKGLB-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409394222 XITKOXNSIFWWIL-UBXTYJAUSA-N 414.505 6.333 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875254 MVOHCSNWYOZXPK-BDLVCKJPSA-N 418.892 5.769 30 40 HKEB C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O 2048392610 YFZBONHCMBXFDD-JVRYRRRMSA-N 414.586 6.003 30 40 HKEB N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1S[C@@H](C(N)=O)c1ccccc1 1511530 HCDDIDYYVQCFTP-JOCHJYFZSA-N 411.486 5.199 30 40 HKEB S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 2783970 HBPAOONLPNFMJI-YDZHTSKRSA-N 416.333 6.106 30 40 HKEB C(=N\c1cccc(-c2nc3ccccc3o2)c1)\c1ccc(OCc2ccccc2)cc1 4357684 XGXXWDCSZXEJTQ-VEILYXNESA-N 404.469 6.824 30 40 HKEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 5125416 KMYSTACCJFWPNY-UCNVEGJOSA-N 415.985 5.046 30 40 HKEB O=C(O/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1ccc(Cl)c(Cl)c1 5483737 AICDYSDEWVONIU-CLCOLTQESA-N 411.244 5.233 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl 9633130 OSGRWSDHFDFJJH-UHFFFAOYSA-N 422.893 5.158 30 40 HKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 11614464 XSBZKRQJYYWIMO-ZYQGRCJCSA-N 411.457 6.172 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 66091555 QUIDJKZXUZUFEV-QHCPKHFHSA-N 400.522 5.238 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(C)cc1 100499530 RXKXABMJAOTFEL-ZCGWOIPMSA-N 407.564 5.545 30 40 HKEB CCCCSc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1 104427988 XJVLXISLUYUGFZ-LCUIJRPUSA-N 421.610 5.736 30 40 HKEB CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cs1 217228062 CONOXECQMYAHHA-INIZCTEOSA-N 421.522 5.394 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccncc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408722410 IJBIKCGWTBYBGF-AFUMVMLFSA-N 414.490 6.148 30 40 HKEB Cc1cc(/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1I 409075947 ZEZIYMANMYVCDE-MTJSOVHGSA-N 408.258 5.090 30 40 HKEB O=C1C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)c2ccccc21 409137326 VRCAYCIECGTJBZ-UHFFFAOYSA-N 415.851 5.945 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 409209061 FGPOBPWYEXEISQ-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409209825 JEYISWYYJAOPSP-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409215500 AAMIQBSTAJXZOU-BUVRLJJBSA-N 409.507 5.139 30 40 HKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)c(C)c1 409217047 NNDINGHEQGSNSP-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB COc1ccc(-n2cnc3cc(/N=C/c4ccc(Br)cc4)ccc32)cc1 972632 FVYKPHMTDBUFIO-YDZHTSKRSA-N 406.283 5.547 30 40 HKEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c1 2102469 JINUCJMZOMYIMI-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4184786 VPTOUUNURWGPOU-RUZDIDTESA-N 411.545 6.829 30 40 HKEB CCc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 15018365 WUCITPHOXOYTID-HXNPFYCNSA-N 412.558 6.674 30 40 HKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1cccc(Cl)c1 27015874 UOFYYEMAZWKPIK-GYHWCHFESA-N 411.958 5.945 30 40 HKEB O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3cccc(Oc4ccccc4)c3)n2)c1 33377354 PCAGGMXELFQTTF-OEAKJJBVSA-N 416.462 5.957 30 40 HKEB N#CC(/N=N/c1cc(Cl)cc(Cl)c1O)=N\Nc1cc(Cl)cc(Cl)c1O 96341894 JIVDOFLPGFPRRU-OXYYMIMUSA-N 419.055 5.744 30 40 HKEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 100439744 HMLRNEOBKUDQNQ-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB CCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530412 CYIMORLVMXKPBZ-VOTSOKGWSA-N 416.221 6.862 30 40 HKEB CCOc1cc(/C=N\O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 107849376 YOZSOAKUXAHWLX-MYYYXRDXSA-N 407.466 5.060 30 40 HKEB Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(I)cc1 408783110 KCODZEMIZXWKAR-MTJSOVHGSA-N 416.262 5.155 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1O 408848747 SJQUFMUHPDNEFF-OYKKKHCWSA-N 406.507 5.344 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O 408872310 CUXUXGGKDUWPPA-CWVPHJIKSA-N 422.550 5.584 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)c(OC)c2)C(=O)N1C 408912669 OKAKZTNWJNHESJ-QMSJJHEMSA-N 424.566 5.526 30 40 HKEB C#CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408912690 LOHQXFRNZKCJIY-ONUIUJJFSA-N 414.530 5.642 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 408961094 ACJUVPFFZQKFLF-CIAFOILYSA-N 421.497 5.133 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 409010767 LCFIBAGBJZFWTG-MOSHPQCFSA-N 423.925 5.339 30 40 HKEB COc1cccc(/C=N/c2cccc(Cl)c2C)c1OCc1ccc(C(=O)O)cc1 409186464 CINDDJWQGOXFJR-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409208533 GPGDYNHWKNVZQZ-AFUMVMLFSA-N 424.884 6.285 30 40 HKEB CC(C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383577 MGCGEAIVTXRXPL-CVKSISIWSA-N 417.896 5.386 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 3073530 FXXVTUCIGJNWGZ-UHFFFAOYSA-N 408.910 5.172 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 3096851 JTTDYQKCXBEYDL-FSJBWODESA-N 411.686 6.661 30 40 HKEB CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4048070 FHGYXJXNZVJCOO-LYZGTLIUSA-N 424.544 6.455 30 40 HKEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c(O)c1 5163434 QQGRDBOBYWEIGH-UHFFFAOYSA-N 415.287 5.600 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c1C 5376586 JJRLBXXBJQELIW-UDWIEESQSA-N 408.910 6.108 30 40 HKEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl 5500449 XTSJMQOVWDDCMA-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC(C)C)cc1 8570358 LMTKDUDELFCUND-UHFFFAOYSA-N 411.889 5.006 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(Cl)c(Cl)c1 8733531 ZSTKFCKCHRLEAV-UHFFFAOYSA-N 410.087 7.026 30 40 HKEB Cc1nc(Cc2ccc(F)cc2)sc1/C(O)=N/c1nnc(-c2ccccc2)s1 30561556 ZHVMDUFDJVIEIZ-UHFFFAOYSA-N 410.499 5.336 30 40 HKEB O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N/c2ccccc2)N1Cc1ccco1 30750544 BHLOZQXHTYDGEW-JUAGQRJUSA-N 410.882 5.443 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1 32984147 DFVMMRKUAUHLER-UHFFFAOYSA-N 417.530 5.768 30 40 HKEB O=C1/C(=C/c2cccnc2)S/C(=N/c2ccccc2)N1CCc1ccc(Cl)cc1 33400033 USJMPEKXIMQRPT-GNDHVBMESA-N 419.937 5.582 30 40 HKEB COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br 100194234 LFLXIGOHUWDVLZ-UFFVCSGVSA-N 405.317 5.029 30 40 HKEB C/C(=N/OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1ccccc1O 104207216 QRPSMPAGVRMXMT-YVNNLAQVSA-N 405.237 5.243 30 40 HKEB Oc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408739737 FCXPQUPMPMIYAE-MWAVMZGNSA-N 414.508 7.268 30 40 HKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1 408785629 ACPVIMLNOWVILR-KSEXSDGBSA-N 422.153 6.914 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 408907954 QNSVFKYDLLUDBU-LBHLTJTCSA-N 414.530 6.060 30 40 HKEB COc1cccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 408911641 AQJPTJHROLVCEE-CIAFOILYSA-N 402.313 6.261 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1 409114898 QZOGUYOWDXUZGW-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB CC1=C(C(=O)C2=CC=CCC2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 1069473 VJARJCMOXUYEGW-JOCHJYFZSA-N 401.897 5.824 30 40 HKEB Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 3083480 PGWXGJLWBYRKIU-YSURURNPSA-N 422.828 5.524 30 40 HKEB CC(C)(O[P@@](N)(=O)Oc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)F 3203038 SEAVDPLPIMWCHD-SANMLTNESA-N 415.217 5.098 30 40 HKEB CCOc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)ccc1O 4417994 VDLPPEDCIVSTJU-DEOSSOPVSA-N 401.487 5.657 30 40 HKEB Cc1ccc(C(=O)/C=C2\Nc3ccccc3N\C2=C/C(=O)c2ccc(C)cc2C)c(C)c1 4797795 QPBBBNWQTVZRMT-YXHOTNNGSA-N 422.528 6.291 30 40 HKEB CNC(=S)N1CCCS/C1=N\c1ccc(-c2nc3cc(C)ccc3s2)cc1 5936302 KMFMTXFKAQFAKM-XDOYNYLZSA-N 412.609 5.202 30 40 HKEB CCn1c2ccccc2c2cc(/C=N/c3ccc([N+](=O)[O-])cc3Br)ccc21 8442608 LTHHYGLXQLQMMU-YDZHTSKRSA-N 422.282 6.236 30 40 HKEB COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(NC(=O)c3ccccc3)c12 35326870 XGHNOXGBBNUYIP-UHFFFAOYSA-N 413.502 5.542 30 40 HKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@]3(C)CC[C@@H]21 36614412 HEISBLGPHCGBTI-NZNXFPTASA-N 406.953 6.467 30 40 HKEB CCCCCCCCCCCCNCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 102903854 SELYQBCNEJFMON-UHFFFAOYSA-N 420.947 6.808 30 40 HKEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752519 AGQIMBKZJVKLDC-UHFFFAOYSA-N 417.336 6.103 30 40 HKEB Cc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1C 408791432 YSLLGNNUBAJNEX-JWMLTMDESA-N 415.562 5.315 30 40 HKEB C=CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OCC 409109737 KDUKQCUHKVNDEM-UHFFFAOYSA-N 410.739 5.987 30 40 HKEB Clc1ccc(OCc2ccc(Br)cc2)c(/C=N/c2ccccc2)c1 409202000 PYORXBQTQRNDHJ-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 409229790 VBRWXYIVDMDNJJ-TXTWYTOOSA-N 410.539 5.496 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(C(C)(C)C)cc3)c3ccccc32)o1 409394123 VZEZGFREJGXYLX-DICXZTSXSA-N 414.505 6.117 30 40 HKEB CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)ON1C(=O)CCC1=O 1570003634 PGXVZDBDYJGWCM-AVHBIOJASA-N 401.547 5.739 30 40 HKEB COc1ccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)cc1 871576 VICADVKGJSYJSF-UHFFFAOYSA-N 419.506 5.058 30 40 HKEB CC(=O)Oc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br 969260 UTBSJZZNSAOTLH-DJKKODMXSA-N 411.093 5.196 30 40 HKEB Fc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(F)cc4)cc3)cc2)cc1 3154874 OFURDCYGODRMAS-YAGSLNJISA-N 412.439 7.258 30 40 HKEB Cc1c(Cc2ccc(Cl)cc2)c(NC2CCCC2)n2c(nc3ccccc32)c1C#N 5454627 QEXDSFAIVDSGLC-UHFFFAOYSA-N 414.940 6.266 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1 8429404 NHWXJSZDEYSXSO-UHFFFAOYSA-N 410.502 5.207 30 40 HKEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccc(C)cc1C 12603441 DVUQUBUYNQUFSP-YQGQAXFOSA-N 400.345 5.009 30 40 HKEB N#C[C@@H](C(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc(C(F)(F)F)cn1 40089632 VRPIQDVBHUUNFK-GFCCVEGCSA-N 413.380 5.460 30 40 HKEB Cc1ccc(/N=N\c2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1 104283874 KTQYMHQOZGQFBR-IZHYLOQSSA-N 410.319 6.115 30 40 HKEB CCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 408722459 UMIUNSOWRMRFNB-UHFFFAOYSA-N 421.537 6.175 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2Cc2ccccc2)cc1 408908060 DIWCRDHNCBFLTH-LBMUFILHSA-N 400.503 5.505 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408964684 DCFHJMSFXOGNSP-PKAZHMFMSA-N 402.538 6.319 30 40 HKEB C=CCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 2383022 KODQROOBJBVKCJ-IBGZPJMESA-N 420.629 5.361 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3O)oc2c1 3066468 FNRKSOLOUOBCHX-QWMUYQDTSA-N 423.299 7.231 30 40 HKEB CCc1cc(C)cc(OCCOc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 4550960 MFUKXXBKIOVQBF-KOEQRZSOSA-N 419.481 5.369 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1C(=C(O)c3ccccc31)[C@@H]2c1ccc(C(F)(F)F)cc1 5917862 FUYBZKHTRBRBOY-LJQANCHMSA-N 423.434 6.218 30 40 HKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1 6582189 MCPYSXRDVSAVER-WUXMJOGZSA-N 405.406 5.300 30 40 HKEB aggregator COc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(F)cc2)cs1 6582398 RVSIBFROOXSGFY-AWQFTUOYSA-N 406.280 5.166 30 40 HKEB Clc1cccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)c1 9196932 TVHPYSVLSWWRIR-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 10118942 WXGLPIBDIGHJRN-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB CCc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 32950901 UYSPCRAXOADIBH-UHFFFAOYSA-N 407.466 5.038 30 40 HKEB CC(C)(C)[C@@H]1CCC[C@H](/C(=N\Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O 33435773 OIFIHEIMRZQFOM-NNHKJVDYSA-N 423.504 6.172 30 40 HKEB COc1ccc(C)cc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21 101091872 BEOYDXFITNXYIR-UHFFFAOYSA-N 409.407 6.199 30 40 HKEB N#Cc1c(NC(=O)Cn2ccc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 107762570 GIGFDNNQPQYVBH-UHFFFAOYSA-N 417.468 6.079 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1Cl 408737550 DCUNMTAZZMINPQ-NVNXTCNLSA-N 407.720 5.303 30 40 HKEB Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)c([N+](=O)[O-])c1 408892495 BWZRRMGDPNRWPL-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccc(F)cc3F)cc2Br)cc1 408909210 FRLGQANTXXTPRW-LSHDLFTRSA-N 408.267 6.531 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1 409117817 OGGXTDYLAIZARL-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB CSc1cccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)c1 409156948 HJWJGISUBCJDBZ-PJCBNKFBSA-N 421.591 6.178 30 40 HKEB Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1Cl 409202057 OJBIFTAETNTBBO-UUYOSTAYSA-N 411.801 6.008 30 40 HKEB O=C(C1=C(c2ccccc2)S/C(=C\C(=S)c2ccccc2)S1)c1ccccc1 2179631 OYZZILZSKFMTOX-LTGZKZEYSA-N 416.592 6.978 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(Cl)c(Cl)c1 3043335 IUQWQMPAFAJSNT-XMMPIXPASA-N 422.355 7.456 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 4811564 FPVVAPXXMQELCK-BHGWPJFGSA-N 406.795 5.270 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 5884331 IGASNRIXGKPJNY-NRFANRHFSA-N 403.865 5.431 30 40 HKEB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C#Cc2cccs2)c1 13015656 DTHSLFZEYGUTOZ-DEOSSOPVSA-N 412.514 5.051 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4cc([N+](=O)[O-])cc(Cl)c4O)ccc3O)nc2c1 13476673 OHILUCKVGCQOHR-AUEPDCJTSA-N 423.812 5.527 30 40 HKEB CC/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(C)cc1C 16035401 XVBJBWNLZHNDTG-LDYSMASRSA-N 414.372 5.399 30 40 HKEB C=CCSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 95117545 VCBUCLNLGLIYFO-UHFFFAOYSA-N 400.547 6.158 30 40 HKEB O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 100276057 KEIBORGGPVJFFY-GCXIQGEKSA-N 413.502 5.608 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 100605450 JWUBBDSIWDLEOM-ZZAPQYFZSA-N 400.647 6.734 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2ccc(Br)cc2)c1 103007388 DQRLLIMDMNTOEB-QOCHGBHMSA-N 417.372 5.721 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 408587569 RZPQWSPMBSCVQG-UHFFFAOYSA-N 404.348 6.441 30 40 HKEB Cc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 408723256 SECSURBCJAUYAM-BZZOAKBMSA-N 402.450 5.324 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408940743 OPZIMJNVZBSMOX-VZQTZOBLSA-N 400.909 6.623 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409113429 IDPZFWKPYAVULV-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB CC(C)CN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409126749 FYHBPLJMMUULQM-JJFYIABZSA-N 415.518 5.254 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 409211140 MHDHUKKNQPQUAT-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409212426 PYIVVGDPVCXZQU-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]12 2040565457 KPMMIZLQECJQJE-LLYVEWCLSA-N 407.554 6.590 30 40 HKEB biogenic N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccccc1 1029495 SKOZJBACNXMXEJ-UHFFFAOYSA-N 419.453 5.431 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)ccc1O 4827810 KFEZRYVSISNNJT-ZMOGYAJESA-N 404.857 5.110 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(Br)cc3)cs1)C2 5426091 YALZLCZKTACCIE-CBJFBRNBSA-N 404.377 6.187 30 40 HKEB COc1ccc(-c2c3c(nc4c2/C(=N/O)CC(C)(C)C4)CC(C)(C)C/C3=N\O)cc1 16578233 WZPXFQLZVAITEO-BFNWXZRRSA-N 407.514 5.059 30 40 HKEB CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 19771508 VIOOPISOHRCVKI-OVVQPSECSA-N 407.602 5.139 30 40 HKEB OC(C#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1 20842324 FBUNMTKYPFYKAM-UHFFFAOYSA-N 417.552 5.628 30 40 HKEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 27061646 KSJQSHHFSVUHSY-JOCHJYFZSA-N 412.489 5.296 30 40 HKEB C=CCOc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 30940563 RNEYBWSZBRMJJO-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1C 32984222 AJHVIJSHEOKSSB-UHFFFAOYSA-N 423.921 5.607 30 40 HKEB O=C(/C=C\C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(Br)cc1 33374011 ONVJJRWGKQMIPO-YPKPFQOOSA-N 422.366 6.031 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 59463709 KRINMFYUABABSP-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccccc1 59483073 BZSRCZUISROXOZ-MOSHPQCFSA-N 419.864 5.272 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 83312013 YGXBZIOKAMOJHT-FMCGGJTJSA-N 416.264 5.927 30 40 HKEB Fc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(F)c4)cc3)cc2)c1 97960671 FKERFLIOYHGHTI-YAGSLNJISA-N 412.439 7.258 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 102137241 WHGDLJBZLIXNHH-OAQYLSRUSA-N 421.447 5.347 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1c(O)ccc2ccccc12 104373388 QSAZDOCZTSTXPY-LGUFXXKBSA-N 413.631 6.264 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1O 135987101 GYGUNMFGYXYZDR-MIIQOVFOSA-N 402.475 5.209 30 40 HKEB C=CCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)(c1ccccc1)c1ccccc1 225935593 QEZFVNQUTYYTQX-UHFFFAOYSA-N 411.423 6.086 30 40 HKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 408596401 YWWKYQQCAXKJLE-WPWMEQJKSA-N 400.526 5.363 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC 408860044 RFQFHZUUAVYZSD-MYYYXRDXSA-N 420.534 5.647 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC 408980095 UQRIVNGWTRWWGP-MFKUBSTISA-N 406.551 6.626 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC 409087864 IEOJQGQXYABTQA-VSRRSJTHSA-N 412.555 5.547 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1cccc(F)c1 409114817 LIXVSXKAACYLIR-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB COc1cccc(/C=N/c2cccc3ccccc23)c1OCc1ccc(C(=O)O)cc1 409186720 GZAURFXJNCXLRO-JVWAILMASA-N 411.457 5.876 30 40 HKEB C=CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC 409202177 PMPLMCZRFGKBIE-CIAFOILYSA-N 421.278 5.232 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409212225 OTFBJBLYHUJBAV-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB C=CCOc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384936 OLPXRQKPMRLDCQ-WGOQTCKBSA-N 415.880 5.164 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 1775633 XYEHXRSQDUNDTL-BOPFTXTBSA-N 421.465 5.676 30 40 HKEB CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 2084050 AVJGWMYCJIGANR-JNMQVBFRSA-N 420.622 6.720 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(NCc3ccccc3)nc12 2317273 QCFUMURKXXJRRN-MFKUBSTISA-N 402.885 5.019 30 40 HKEB COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O 3098648 HZRQNJIUCJHWOQ-FSJBWODESA-N 423.266 5.722 30 40 HKEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC 4930300 GAPMAVJKCWCVPD-QHCPKHFHSA-N 415.489 5.430 30 40 HKEB C=CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nc2ccccc21 7098344 WIJLZKSDEAKXIA-JOCHJYFZSA-N 419.575 5.282 30 40 HKEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2cccc(Cl)c2)cs1 7743326 XVUZFUVNEVRJKE-CSKARUKUSA-N 410.926 5.994 30 40 HKEB C=CCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1OC 8206041 SHMSOUAKUCTCGZ-UHFFFAOYSA-N 404.495 5.087 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 8450020 HIQUUIQJTKIKFE-QFIPXVFZSA-N 402.579 5.455 30 40 HKEB COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2c(C)cccc2C)n1 12972375 VLBBDPKPZJTQDV-ZRDIBKRKSA-N 420.534 5.658 30 40 HKEB CSc1nc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1 19820635 PPMCKWXNZPOMER-UHFFFAOYSA-N 401.322 6.096 30 40 HKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C1CCCCC1 33597693 FMRUKYLWJVTGPW-MTDXEUNCSA-N 424.548 5.869 30 40 HKEB CCc1ccc2nc(NCCCNC(=S)Nc3ccc(C)cc3C)c(C#N)cc2c1 35311734 ITNYSKMNOCEKJK-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(Cl)c(O)c1 85413348 DBPRBYHZBKIWBO-DEOSSOPVSA-N 403.909 6.508 30 40 HKEB CCCCCCCN(CCCCCCC)CCC[C@@H](O)c1cccc2ccccc12 100690412 VFZXZPQSETWINW-MUUNZHRXSA-N 411.674 7.896 30 40 HKEB CSCCCN1C(=O)/C(=C/c2cccc(C)c2)S/C1=N/c1ccc(C)c(C)c1 102923009 AOKXVNFAPDSJOB-BRBBDLJVSA-N 410.608 5.969 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408864658 YYXQJLFSJKWLCM-COIIWPEYSA-N 406.551 5.878 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCOCC4)cc3)c2C#N)C1 409059901 PCVHGQPKZPJACT-CVLFLDGLSA-N 407.583 5.358 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(Sc2ccccc2)o1 409080476 DPHHDAQRNVGFHY-JJFYIABZSA-N 407.373 5.804 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 409084387 CSROGWZSSDJHNR-FOKLQQMPSA-N 417.252 5.322 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C)cc2Br)o1 409234003 VKJPBANJXIHQDO-SSDVNMTOSA-N 404.691 6.430 30 40 HKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 815825 SJOZXNWNNQBJCH-IZHWHUGBSA-N 402.519 5.736 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O 864791 VGTYGBAEOCBFEM-FSJBWODESA-N 403.394 5.176 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 986099 UPAGINMZMLAUEL-UHFFFAOYSA-N 412.580 5.275 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 2328149 WCTSUQOMKZPMGE-JYAWBRCSSA-N 407.583 5.636 30 40 HKEB CN(C)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1 2843330 UTBDDGWFNRHYLB-BHGWPJFGSA-N 409.864 6.299 30 40 HKEB O=C(Cc1ccc(/N=C/c2ccccc2)cc1)c1ccc(/N=C/c2ccccc2)cc1 4266558 YKQROWQLOVJYHP-RZEGEWEPSA-N 402.497 6.613 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2F)sc2c1CC[C@H](C)C2 4554207 KCJONXCMOFHBSK-FYDYWCEBSA-N 420.553 6.632 30 40 HKEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1CCCC 4577270 RCHHJONTUZZRMS-VLZBMTSBSA-N 403.592 5.039 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1S[C@H](C(=O)O)c1ccccc1 5741147 SUBUTJGNSIVNDV-INIZCTEOSA-N 404.369 5.150 30 40 HKEB N#C[C@H](Cc1ccccc1)Sc1nnc(Cc2cccs2)n1C1CCCCC1 6947071 VIDVWUNZVMJWTD-FQEVSTJZSA-N 408.596 5.663 30 40 HKEB COc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 14163754 MSKIQDPZHLCDNX-SHACYNPGSA-N 417.484 5.274 30 40 HKEB O=C(Nc1sc(N/N=C/c2ccco2)nc1-c1ccccc1)c1ccc(Cl)cc1 16751728 MXJJGKSELIUNDF-YDZHTSKRSA-N 422.897 5.755 30 40 HKEB COc1ccc(-c2nc(N/N=C/c3ccc(Br)cc3)sc2C)cc1 26507881 VLAUAZCBJRZPSF-RGVLZGJSSA-N 402.317 5.336 30 40 HKEB Cc1nnc(Sc2ccc(/C=C3\Sc4ccccc4C3=O)cc2[N+](=O)[O-])s1 34771891 DWSINWALELALQK-SXGWCWSVSA-N 413.505 5.235 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c(C)c2s1 72228625 LUDDPJLHZJZWEG-UHFFFAOYSA-N 421.353 6.280 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 100083126 XTRPYSJRQXCPKZ-RXBBGTROSA-N 400.906 6.026 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Cl)cc1 100500561 DXAAPWWEPQQKIU-PNFLQUQDSA-N 413.955 5.500 30 40 HKEB N#Cc1c(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)sc2c1CCC2 102618650 VVTXHDSVDMJHLV-NHNLOJCESA-N 402.563 5.585 30 40 HKEB CC(C)(C)c1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408722295 GQXAJUFJYTZQPY-RWEWTDSWSA-N 416.477 5.696 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1 408751705 AHLFPWHXCYLGKO-XSFVSMFZSA-N 406.894 6.024 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 408805480 KNFMCOAFBHYDEU-MXAYSNPKSA-N 413.304 6.070 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909271 GWLLYNGKTSKQLV-HVGPDZOKSA-N 403.551 5.889 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408942361 QMCRBOUAITYHKE-IUYRTAIISA-N 422.572 7.361 30 40 HKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 409061266 YSXYUNIMOPDRDP-ZMOGYAJESA-N 423.538 5.423 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)c1 409209902 GUSCDTATDHHWCS-VULFUBBASA-N 406.913 6.033 30 40 HKEB CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccco2)cc1C(C)C 409305005 MMPYZOXAKZAXJI-UHFFFAOYSA-N 415.493 5.369 30 40 HKEB Oc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1 1083810951 BDMZMGNUELNFFI-UHFFFAOYSA-N 424.181 5.213 30 40 HKEB CC(C)(C)Sc1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3028679 WYCOXWPDRXYBCZ-UFFVCSGVSA-N 413.326 6.343 30 40 HKEB C#CCn1c(SCc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 3047376 PPJGMWVUQIBTSS-UHFFFAOYSA-N 414.961 6.796 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(Cl)cc1Cl 7449858 SZZYTDLBVUYRDS-HXUWFJFHSA-N 404.362 6.896 30 40 HKEB CCCCCCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 8435423 LCWNTUPJUVUOSD-KRWDZBQOSA-N 422.639 5.235 30 40 HKEB C=CCn1c(Cc2cccs2)nnc1SCc1csc(-c2ccccc2)n1 17088648 MTDYISVHZDZIHQ-UHFFFAOYSA-N 410.593 5.532 30 40 HKEB c1ccc2c(/N=C(\Nc3cccc4ccccc34)c3cccc4ccccc34)cccc2c1 17302623 YUIMICUJVAAINL-UHFFFAOYSA-N 422.531 8.337 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)ccc1O 20572597 LWFIYCGPQQWUES-LWMZTYRKSA-N 418.537 5.438 30 40 HKEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 28182643 RPCHOIJFIFWSDU-MXAYSNPKSA-N 411.457 5.382 30 40 HKEB Cc1ccc(Sc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 32124614 QLOWHVOLXJQKMQ-BKUYFWCQSA-N 408.439 5.409 30 40 HKEB CC(C)(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 35673428 DTXGCOPMQCWVPA-QFIPXVFZSA-N 415.541 5.155 30 40 HKEB COc1cc(/C=N/c2ccccc2C(C)C)ccc1OCc1cccc(C(=O)O)c1 59303411 BPLDOVIUKUVYAP-CVKSISIWSA-N 403.478 5.846 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)c1O 100222715 NNVXAMYZZKMNFL-UVHMKAGCSA-N 419.374 6.492 30 40 HKEB C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 105154898 BJWJSOYJPSJWKC-IXJIUKTGSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro CCOc1cc(C#N)cc(Br)c1OCc1ccc(Br)cc1 226329295 ZUURSDDEIIVHLI-UHFFFAOYSA-N 411.093 5.061 30 40 HKEB CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC 408758592 NISMWWYBVSEPPW-PDGQHHTCSA-N 416.930 5.201 30 40 HKEB N#CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408979487 RBMOYNHAARXIHG-WGOQTCKBSA-N 401.535 6.511 30 40 HKEB Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1 409012475 IFLLVJMABQXVGX-WPWMEQJKSA-N 416.590 7.027 30 40 HKEB O=S(=O)(Oc1ccc2ccccc2c1/C=N/c1ccccc1)c1ccc(Cl)cc1 409200920 KKAQBWVWZCWJJF-PCLIKHOPSA-N 421.905 6.012 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 409207879 BWEXRCNRKXVDTP-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Br)cs1 409299301 ZGWHCFROHLBXBB-UHFFFAOYSA-N 416.344 5.150 30 40 HKEB N#Cc1c(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1CCCC2 936092 NMQJNXAQWVQUJV-UHFFFAOYSA-N 416.424 6.030 30 40 HKEB CCCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1 4499448 RUQCKICAKDDHMB-DJKKODMXSA-N 413.109 5.326 30 40 HKEB CC(/C=C/c1ccccc1F)=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4551119 UXUZAERJYAMQDU-YESGMZSQSA-N 406.313 6.757 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)nc2c1 6555321 CTPLRAMBEOQGIC-CAUYNWHBSA-N 415.449 6.373 30 40 HKEB C=CCn1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 6649030 GKAMPCFFHSPKCJ-UHFFFAOYSA-N 412.515 5.084 30 40 HKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 6784059 UNSVDUCJZOPYSR-QFIPXVFZSA-N 417.436 5.007 30 40 HKEB Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 12462031 IMNDFBDCURASER-QFZWGZQFSA-N 419.589 5.445 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1)c1cccc(C)c1C 15189020 QAVWXNRYMKYVFA-ZRDIBKRKSA-N 404.535 5.957 30 40 HKEB C=CCSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40131230 NTMMTRKXZVIQPR-UHFFFAOYSA-N 423.559 5.191 30 40 HKEB CC(C)COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 83261129 OPPRDVAUHLSTDP-YVLHZVERSA-N 421.349 5.920 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc(OC)c4O)ccc3O)nc2c1 100929925 FPWMMTMMCDBFNV-BRJLIKDPSA-N 422.868 5.881 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 223496993 NVANMWWTLDPJSJ-PZFZXBCHSA-N 417.578 5.861 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc12 226362515 XZBRYOPYGGHAGH-JXMROGBWSA-N 407.256 6.433 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408527183 BFGHHOQXBVROHU-JCMHNJIXSA-N 402.519 5.829 30 40 HKEB CC1(C)CC(=O)C(Sc2ccc(Cl)cc2)=C(OC(=O)c2ccc(Cl)cc2)C1 3259892 BONPVTVKXHLFDS-UHFFFAOYSA-N 421.345 6.543 30 40 HKEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c2cc(CC)cc4[C@@H](C)CC3(C)C)cc1 4740268 PMXNLDSYQRCAGY-XRRNWMHTSA-N 404.510 5.179 30 40 HKEB CCc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 4856128 YWRMGLDLHQUMSH-CYYJNZCTSA-N 415.606 7.034 30 40 HKEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 5163304 NWYFFNIOINORBD-NDENLUEZSA-N 406.459 5.038 30 40 HKEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N=C(Nc1ccccc1)Nc1ccccc1 5337383 CFNSFPBRQFVIOF-QJOMJCCJSA-N 409.493 5.182 30 40 HKEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 8958800 SOZFCODNPVHMCM-UHFFFAOYSA-N 406.526 5.174 30 40 HKEB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 16268719 HGSKEFANMDRZEH-UHFFFAOYSA-N 419.843 6.028 30 40 HKEB Oc1ccc(/N=N/c2cccc(Cl)c2)cc1/C=N/c1ccc(N2CCOCC2)cc1 100507060 UAGOWLXKRNEDAM-OVFURWPXSA-N 420.900 6.048 30 40 HKEB Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3cccc(Cl)c3)c(=O)n2c1 100703696 OXHWKVAIRPBADJ-AFUMVMLFSA-N 402.885 5.019 30 40 HKEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 103775677 DMYSVXYUIXDPEL-TYGLDRHGSA-N 421.566 5.288 30 40 HKEB Fc1ccccc1NN=C(c1nc2ccccc2s1)c1nc2ccccc2s1 108186313 NASNBBKWMHTZRI-UHFFFAOYSA-N 404.495 5.910 30 40 HKEB C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 408861110 NFKWCUJJEFNADG-RXQVSFMMSA-N 410.970 6.523 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409105164 JKRGJHPCJWADQS-BHGWPJFGSA-N 400.316 5.191 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 1889122767 ISQVBKWANUTMNE-HATBNPMNSA-N 408.582 5.661 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1OC 2152928 OWRNYEXSJJPORV-FMCGGJTJSA-N 422.864 5.552 30 40 HKEB biogenic CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2254784 XQXGXUHVKZMORA-UHFFFAOYSA-N 418.672 6.905 30 40 HKEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc(Oc2ccccc2)cc1 2684257 MFOUKZYZUVEBED-UHFFFAOYSA-N 423.536 5.844 30 40 HKEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 2869978 MYBGJFMYSGCOOH-LFIBNONCSA-N 420.317 5.537 30 40 HKEB CCCN(CCC)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 4116443 VMANASJNJCMQIT-WOOPDLCSSA-N 404.554 5.020 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 5092183 VRKXLYZUKVIGKI-FAZMWWMKSA-N 403.910 5.113 30 40 HKEB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1(C#N)CCCCC1 5242911 LSBYEAOEOFBRCR-KRWDZBQOSA-N 416.550 5.120 30 40 HKEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C(C)C)cc1 6001896 OPDXHSONWSCNQI-SFHVURJKSA-N 423.582 5.206 30 40 HKEB CCCCCCCCCCCc1nnc(NC(=O)COc2ccc(F)cc2)s1 8417811 TUIGPRHNDFUCRH-UHFFFAOYSA-N 407.555 5.768 30 40 HKEB C=CCOc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 12407977 KNRXCKIVVJEEHT-UHFFFAOYSA-N 411.461 5.072 30 40 HKEB Cc1cc(C)nc(N/N=C/c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)n1 12559136 GHZIUMZFDOWZLE-KIBLKLHPSA-N 421.854 5.619 30 40 HKEB COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC 13548639 VWVQBQCIALUKJM-OVVQPSECSA-N 424.504 5.298 30 40 HKEB C=CCOc1c(Cl)cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1OCC 16688408 SHAAMHMMHYUQOI-ZNLRHDTNSA-N 420.765 5.445 30 40 HKEB C=CCOc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 30940734 KZJLNKZLKNVXNY-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 32984250 NUEQUFRBXSQUSI-UHFFFAOYSA-N 417.530 5.516 30 40 HKEB C/N=C1/S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1C 59104403 KFMZCEZWLZWOFR-BQDZKJHTSA-N 407.322 5.104 30 40 HKEB Sc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59303070 LYUBYFUANRJQPI-KEBDBYFISA-N 424.772 6.886 30 40 HKEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3o2)CC1 96346033 FFYTWMVGFRVTQF-OALUTQOASA-N 410.477 5.343 30 40 HKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2c[nH]c3ccccc23)C(=O)C1 100004666 KNRNFKZXBSEZBT-OAQYLSRUSA-N 407.510 5.027 30 40 HKEB Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccc(Cl)cc3)c(=O)n2c1 100703310 NXVJKCJTVQLMQF-AFUMVMLFSA-N 402.885 5.019 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CC(=O)O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2 100744443 ZKIHPMHVQZGSRY-GEPGZONOSA-N 420.658 5.052 30 40 HKEB CN1/C(=C/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)C(C)(C)c2ccccc21 103454533 LKEUHJYMQGAKJH-BQYSLQBPSA-N 411.553 5.685 30 40 HKEB CCN1c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C 260569613 RHBARAQNCHUNLU-SQUXRGDASA-N 419.594 6.033 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409200579 IIVHOTMAXGCKML-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 409212600 RHFVOPHZRRVSFL-DHRITJCHSA-N 413.304 6.070 30 40 HKEB O=C(Nc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl)c1ccccc1 3202168 FNQCLLAIJQVDHV-FSJBWODESA-N 414.248 5.905 30 40 HKEB CC[C@H](C)c1ccc(/N=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 3348518 UMEMTRQDOHMTSY-QOEKJLRASA-N 402.925 6.521 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1 4199709 NFKFWPZUFLIRQA-XHCCPWGMSA-N 424.500 5.703 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2)sc2c1CC[C@H](C)C2 4554201 IAGRSTSUEVPBRR-WBILBPDKSA-N 402.563 6.493 30 40 HKEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 4994065 XTKZJHFSALKYOC-SMIHKQSGSA-N 411.929 5.047 30 40 HKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5219274 RLXAGPCQKAUIHT-WQRHYEAKSA-N 406.265 5.450 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(Br)cc2)cc1 12465341 GWPMKJRFDFBKFC-MTJSOVHGSA-N 415.360 5.550 30 40 HKEB COc1cccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 19820341 FUFQUGXDKZXNDK-UHFFFAOYSA-N 404.539 5.787 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(Cl)c3)c(C)c2s1 72228602 QQJHOAJSWSNFIN-MSXFZWOLSA-N 400.935 6.017 30 40 HKEB Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 72305873 KKCVAIPYKPKWDC-IBGZPJMESA-N 416.529 5.182 30 40 HKEB CCCCCCCCCCCCS(=O)(=O)CCCCCCCCCCCC 100687272 IBWOCMGLVDJIPM-UHFFFAOYSA-N 402.729 8.243 30 40 HKEB C/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1ccc(C)cc1C 102960268 DVUQUBUYNQUFSP-GBMPFIQJSA-N 400.345 5.009 30 40 HKEB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497825 ISQVBKWANUTMNE-OMVRMBGESA-N 408.582 5.661 30 40 HKEB biogenic CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br 408529399 HEDWGHDLFLNCMS-BOPFTXTBSA-N 417.328 5.048 30 40 HKEB CCOc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408723427 UNCWNXBTGXNNOE-WGOQTCKBSA-N 418.949 7.280 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3O)c2C#N)C1 409082588 QGWTYGCFSUQFDC-HKNSOBRKSA-N 417.372 5.989 30 40 HKEB CCCCN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409137884 YMQNBPLTEVAKOK-XKZIYDEJSA-N 415.518 5.398 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 409216945 QAIVUZQAAGVVDL-DHRITJCHSA-N 416.304 6.340 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 409284197 UHMNZCJMXNIPDL-UHFFFAOYSA-N 400.309 5.633 30 40 HKEB COc1ccccc1/C=N/c1oc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1C#N 409356550 HKVBZSNRYZACAT-STBIYBPSSA-N 406.485 6.861 30 40 HKEB O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccccc1 788059 HFBBVQOLPBNNLW-UHFFFAOYSA-N 414.461 5.213 30 40 HKEB COc1ccc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 4919183 JLKYHPKTAQXZDI-FBCYGCLPSA-N 408.510 5.864 30 40 HKEB O[C@@]1(c2ccccc2)C/C(=N/c2ccc(SC(F)F)cc2)C=C1c1ccccc1 5523890 UWAVZKOVBNABGU-CCUBOOHYSA-N 407.485 6.449 30 40 HKEB Clc1ccccc1CN/N=C/c1cccc(OCc2cccc3ccccc23)c1 8811607 LBTWDXGABVGZGS-JVWAILMASA-N 400.909 6.196 30 40 HKEB CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl 9434868 VKHTXXFOKMHCOM-DNTJNYDQSA-N 416.102 5.561 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463687 NDMIUJDLNXMPQS-AFUMVMLFSA-N 417.465 6.583 30 40 HKEB O=C1c2ccccc2C(=O)C1/C(=N/c1ccc(Oc2ccccc2)cc1)c1ccccc1 100436107 YENYUAVSTSFOAM-PBBVDAKRSA-N 417.464 6.295 30 40 HKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102538471 WEPFVKBHBHWXPV-JBCNATCCSA-N 421.855 5.414 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(C)cc2)cc1 139594615 WUSBOOREAABEFI-LBMUFILHSA-N 400.503 5.818 30 40 HKEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614238 HLNLVXZIJLWLBW-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(Br)c1 226340823 QXZKABKBBCWAKL-CMDGGOBGSA-N 421.718 5.732 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908591 FWLFXUCGURPRNV-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 408939559 SVPVYBGMUTVUCY-ROLSTHPJSA-N 406.573 7.696 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCCCC1 709596 KBGNHURVEQISAM-UHFFFAOYSA-N 413.546 5.392 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 1437511 ROIILOHVTVRSFY-RBTNQOKQSA-N 408.545 6.591 30 40 HKEB C(=N/N=C1c2ccccc2-c2ccccc21)\c1ccc2ccc3cccc4ccc1c2c34 1710190 WAQJPXMFDURXBM-FDAWAROLSA-N 406.488 7.436 30 40 HKEB N#Cc1cc(Oc2ccc(C3CCCCC3)cc2)c(-n2nnc3ccccc32)cc1C#N 1863694 BDQKMYUBYGRPAT-UHFFFAOYSA-N 419.488 6.004 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3O)nc2c1 3082939 FHQXONZPNKXKNO-OPEKNORGSA-N 406.869 6.235 30 40 HKEB CC/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1CC 4694888 GWNJVLOOORZMIL-OTUPYVCLSA-N 409.001 5.865 30 40 HKEB C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1OC(F)F 4979198 KFUGICUIOLQEBU-MTDXEUNCSA-N 402.444 7.004 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684809 GRXTWHIJAVKODV-UHFFFAOYSA-N 420.896 5.087 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20648857 TXIHBTJXIZNFSJ-NDENLUEZSA-N 403.881 5.423 30 40 HKEB COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 33423910 FYSDRTSQVDPCRN-LFIBNONCSA-N 414.892 6.097 30 40 HKEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1O 36081889 ACXUKMHZPUOYPO-WMOWQXFYSA-N 422.550 5.728 30 40 HKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 100370789 WZQDFNLYQGAXDD-CRUFNBOHSA-N 410.882 5.443 30 40 HKEB CCCCCCCCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 102034120 COAHDZRNPNIUKC-UHFFFAOYSA-N 421.669 8.359 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)C2=O 253531413 LGWMHNQKTCVZTP-OTKFVZGRSA-N 421.537 5.481 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 408915144 PFAAWLSHARMCFI-PVTBXJRFSA-N 415.356 5.772 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1 408964035 FHDPGKRWWNBZDW-KGENOOAVSA-N 404.466 5.296 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1cccc(F)c1 409111371 CCWJDYHBGJSRGN-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409207992 ABJDAFBSOYNGAS-AFUMVMLFSA-N 424.884 6.285 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)cc1 3066520 VITFZHOVFVUZOO-AFUMVMLFSA-N 415.449 6.157 30 40 HKEB Cc1ccc(/C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)=N/O)cc1 4380982 BKRSKBCOLMSQMH-SOYKGTTHSA-N 413.473 5.258 30 40 HKEB C/C(=N\N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 4475618 NKDYBJGXIBHBFL-FUISUDAYSA-N 414.490 5.439 30 40 HKEB CCC(=O)Nc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 5950761 LOTJFSDFCLFGEN-ZVBGSRNCSA-N 409.711 5.524 30 40 HKEB CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OCC 8362922 GURJTVCYMWFMAX-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB CCCCCCCCCOC(=O)Nc1ccc(Br)cc1Br 8426880 ULCIARFLSVRLCP-UHFFFAOYSA-N 421.173 6.511 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 8715769 PSRRLRISYKWDRS-FQEVSTJZSA-N 407.828 5.262 30 40 HKEB CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 17106690 JQTJNQOWKSWYOR-AUWJEWJLSA-N 415.327 6.221 30 40 HKEB CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(/C(=N/O)c3ccccc3)cc1)=NO2 17241549 NVCYUNMMNBNLNT-GAPOMRBKSA-N 411.505 5.162 30 40 HKEB CC(C)(C)/C1=C/C/C=C(/C(C)(C)C)C#C/C(C(C)(C)C)=C\C/C=C(/C(C)(C)C)C#C1 68564964 AKOZLDAZLCZMKA-VDWXDDMSSA-N 404.682 8.677 30 40 HKEB C=C1CC[C@H](O)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 100605454 JWUBBDSIWDLEOM-DCHLRESJSA-N 400.647 6.734 30 40 HKEB in-vitro CCCCCCCCCCCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21 102919503 ZQPUPTQJIAVVAH-UHFFFAOYSA-N 412.726 9.344 30 40 HKEB CCCCCCCCCCOc1ccc(/C=N/C/C=C/c2ccc(CC)cc2)cc1 104149500 IZCWHUDBOZKIHM-JLPOHZJHSA-N 405.626 7.901 30 40 HKEB CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 135986983 GNRGSLWSMOKZNK-AIQBXGKYSA-N 400.503 5.894 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 253495524 HPFVBGJFAYZEBE-ANKXWIDRSA-N 412.614 6.401 30 40 HKEB COc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2)NC1=O 408749929 VCRJMFRTVOBNFM-OVCLIPMQSA-N 423.719 5.003 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 408772750 HQVTZSYLGPZIDJ-DBSKITMISA-N 420.921 6.157 30 40 HKEB COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1OC 408919129 TTXLHSSXYJZKKD-OGLMXYFKSA-N 408.457 6.253 30 40 HKEB C#CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O 408921228 BBYMBLRVCAJYCV-LEGXJBLQSA-N 416.546 5.635 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 408952161 KRDRPYBVRMETEU-CJLVFECKSA-N 400.503 5.644 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408953431 WJHCTSPLXPUPGN-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB C[C@@H]1CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C[C@@H](C)O1 704006 PYGNXTJURVVWHJ-HZPDHXFCSA-N 423.900 5.059 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1 1079562 XKYSPYWHAAYWOP-HNNXBMFYSA-N 404.268 5.660 30 40 HKEB O=S(=O)(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 1740611 FBNHPQDBHBWCPN-UHFFFAOYSA-N 406.290 5.151 30 40 HKEB Cn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 1950158 ANGDAGQGGPNWEC-STBIYBPSSA-N 401.469 6.728 30 40 HKEB CCc1c(C)sc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c1C#N 2083825 FRJIQCSLOLEVEV-UHFFFAOYSA-N 411.530 6.267 30 40 HKEB Oc1ccc(C(c2ccc(O)cc2)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 3167826 DRNXTCZPTYNGGX-UHFFFAOYSA-N 400.265 5.401 30 40 HKEB O=[N+]([O-])c1cccc(/C(O)=N\c2nc(-c3ccc(Br)cc3)cs2)c1 3213987 VEQWZRKAHDRMJL-UHFFFAOYSA-N 404.245 5.117 30 40 HKEB Cc1nc(SCC(=O)Nc2ccccc2C#N)c2c(-c3cccs3)csc2n1 3405610 JJJFRKCMZSMIFU-UHFFFAOYSA-N 422.560 5.331 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 4554184 YNEONYSUOBFIJW-AFUMVMLFSA-N 408.498 5.778 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 4562452 KNAKDKAHYTXVFA-UDWIEESQSA-N 406.894 5.013 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1C 4849112 DYZGPXDBYHFVBK-UHFFFAOYSA-N 415.440 5.473 30 40 HKEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 4994063 XTKZJHFSALKYOC-SGNDLWITSA-N 411.929 5.047 30 40 HKEB CCc1ccc(/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 5470914 INYHXXPPFWOBMJ-ROMGYVFFSA-N 409.316 6.223 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 8132717 PXYDBIAHSCTWFF-BZUAXINKSA-N 418.994 5.055 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C3CCCCC3)C2=O)cc1 13536820 MQCKFJOPOLHVCH-YFGQCYJXSA-N 422.550 5.641 30 40 HKEB CC(=O)O/N=C(/C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 17000171 DUZZOVJIFCTLFK-FLWNBWAVSA-N 417.508 6.550 30 40 HKEB CCCCCCCCCCCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 59199623 IWBHWAAZARLPJZ-JOCHJYFZSA-N 423.619 5.388 30 40 HKEB CCCCCCCSCCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 100977424 MDCPCHXNCBDLFH-UHFFFAOYSA-N 417.596 6.622 30 40 HKEB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)CO5 118915917 FMUVPGOCTWGNEY-QIMNUVNQSA-N 402.619 6.004 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 408603170 BELZPTPIVQZRIZ-UHFFFAOYSA-N 412.686 5.264 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1C(C)C 409210045 KOTPVBAEXAKKJB-DEUMPFNYSA-N 422.472 6.055 30 40 HKEB COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O 812870 OHQHSCVSHANTHS-DWXRJYCRSA-N 412.489 5.380 30 40 HKEB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1OC 1437788 DETDTXHLNFJEOC-VCQIIKIXSA-N 415.489 5.690 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 4116329 SZHDJIIWZSYFIW-HRCLSFSHSA-N 412.489 5.071 30 40 HKEB CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1 4572830 NPTIUJHQTGWUKR-AGHKFTSRSA-N 423.582 5.407 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(Cl)c1 5501370 KWSHENYBZQAYNY-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/Nc1ncc(Cl)cc1Cl 7140986 AAFADEZTRMGFRS-LIMNOBDPSA-N 412.683 5.180 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8820946 HFYALIHONCBVRS-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 10118893 MYBWBRHHJTXBDK-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1 12419362 RZIKULBVNUTTHV-MOSHPQCFSA-N 419.864 5.272 30 40 HKEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 14814168 QSWUVGMDXVCQKR-QHCPKHFHSA-N 407.876 5.011 30 40 HKEB Cc1cccc(/N=C2\C=C(NC3CCCCC3)c3noc4c3c2c(O)c2ccccc24)c1 17123391 ULPDMLYYMFBWEG-XHLNEMQHSA-N 423.516 6.393 30 40 HKEB C[C@@H]1[C@@H](c2ccc(F)c(Br)c2)N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N 20459350 QBTLLGDSMCGLPH-CAYVGHNUSA-N 408.274 5.340 30 40 HKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1OC 32115153 UCUBKKVXKXOMCT-CIAFOILYSA-N 405.292 5.043 30 40 HKEB COc1ccccc1C(=O)/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 34630561 XBBNZGWNCBWFDK-XMYFTLFESA-N 423.556 5.731 30 40 HKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@@H]12 36614410 HEISBLGPHCGBTI-LDDHGXPRSA-N 406.953 6.467 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O 59484335 IOIHCWKGFYQJNP-MFKUBSTISA-N 415.518 5.946 30 40 HKEB CCCCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 97944577 SKYIPKAAYSNJEV-UHFFFAOYSA-N 418.581 6.781 30 40 HKEB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 100006716 NKEDMNAJWSDOPS-UHFFFAOYSA-N 416.243 6.387 30 40 HKEB Cc1ccc(/N=C2/C=C(Nc3ccc(C)cc3)C(=O)C=C2Nc2ccc(C)cc2)cc1 102946716 ANNRSDHGEAAMAB-COOPMVRXSA-N 407.517 6.259 30 40 HKEB O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 104145787 MYWSNPIICNACRE-HOGKFDNTSA-N 417.892 5.004 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O 104350069 UQOUMLSYUBEUEW-QLYXXIJNSA-N 419.679 6.672 30 40 HKEB COc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O 408721883 AZNDYDGYYWEGDG-AFUMVMLFSA-N 420.921 6.595 30 40 HKEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 408863214 MBFCPCIAOLOTRJ-BKUYFWCQSA-N 422.456 5.435 30 40 HKEB Cc1ccnc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1 409073570 QGWVVICGAUKYDI-OPEKNORGSA-N 417.391 5.171 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc(Cl)cc(Cl)c3O)c2C#N)C1 409092045 SLRDSTKAGLDTPF-ZCUUTASWSA-N 407.366 6.534 30 40 HKEB CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409213117 SMBHWSYCQRFVQC-HYARGMPZSA-N 407.382 5.445 30 40 HKEB CCOc1ccc(/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 409215078 ZLXRYOANAKIPMV-VXLYETTFSA-N 413.109 5.370 30 40 HKEB CCOc1cc(Cl)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC 409218240 ZNYMOWCESRVDIL-HFYOLELGSA-N 410.967 5.227 30 40 HKEB Cc1cc(-c2ccc(/N=C/c3cccc(O)c3)c(C)c2)ccc1/N=C/c1cccc(O)c1 2181547 XZSNDZJWOSCDED-YAGSLNJISA-N 420.512 6.883 30 40 HKEB O=C(Oc1c2c3c(noc3c3ccccc13)C(Oc1ccccc1)=CC2=O)c1ccco1 2338006 IZKPCDLMMXUPQP-UHFFFAOYSA-N 423.380 5.409 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)cc1 3116415 SSUVNPUTWWLXFU-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3633681 NFLBDAHSOQBDLM-WRONEBCDSA-N 416.524 6.610 30 40 HKEB CCn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c(C)n1 4651558 GSVVJZATHITTBT-PHOATQHHSA-N 404.558 5.248 30 40 HKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 5551059 LSVSIEZLTACKFE-WQRHYEAKSA-N 405.350 6.228 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(C)c4O)c3)nc2c1 6555318 KCJXPGPSNSTMEJ-FYDYWCEBSA-N 418.924 7.426 30 40 HKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 13423811 FWBYBHVDDGVPDF-BHMAJAPKSA-N 422.697 8.009 30 40 HKEB biogenic,in-vitro O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 16035567 GBUSUZNTEOSAHC-UNXLUWIOSA-N 421.380 5.194 30 40 HKEB Cc1c(/N=C/c2c(O)ccc3ccccc23)cccc1-c1nc2cc(Cl)ccc2o1 16249935 RUUMMVOLKMUZTI-MZJWZYIUSA-N 412.876 7.066 30 40 HKEB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132717 CARBEWXCDALLEZ-HTMJNSLASA-N 411.552 5.159 30 40 HKEB CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)O 38143716 IVDXTHICTYHUOZ-QXMHVHEDSA-N 402.619 8.061 30 40 HKEB biogenic,in-vitro Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1cccc(F)c1 97165232 UZEIKEWYGCWSFG-NTEUORMPSA-N 401.868 6.899 30 40 HKEB CCCCCCCc1ccc(/C=C/c2nc(C3CCC(CCCC)CC3)no2)cc1 97961891 RURZUSHFOAYNIH-DYTRJAOYSA-N 408.630 8.217 30 40 HKEB O=C(/C=C/c1ccccc1)/C=C/c1c(C(=O)/C=C/c2ccccc2)ccc2ccccc12 100279320 UJFLTTRONBDPIB-VSRSMHKCSA-N 414.504 7.032 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 102561879 VMDBWCWANFSGKA-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB CCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCCCC)cc1 104171844 YRMWRMXFENKMNE-UHFFFAOYSA-N 406.592 5.597 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3ccccc3I)cc2)cc1 408552406 SXDSGJCJHLYMLQ-HYARGMPZSA-N 413.258 6.143 30 40 HKEB O=C(COc1ccccc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409225143 OWTNXBXCXIYKLD-YDZHTSKRSA-N 409.829 5.016 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)S/C1=N/c1ccc(OC)cc1 409234926 AUHWZAUQOMYSEL-IXTZJETLSA-N 406.429 5.338 30 40 HKEB CSc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 409384456 CFLWJOFTZUTSHM-ZMOGYAJESA-N 424.591 6.205 30 40 HKEB CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1O 712085 MJEPXLGVNQBDFZ-UHFFFAOYSA-N 410.510 5.191 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O 802260 RPPKISBBBQKOQL-FOKLQQMPSA-N 423.812 5.521 30 40 HKEB CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21 2278205 ABIGPTDIQKRVCS-UHFFFAOYSA-N 403.873 5.162 30 40 HKEB C(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc2ccc3cccc4ccc1c2c34 5031759 WAQJPXMFDURXBM-MNBJERMJSA-N 406.488 7.436 30 40 HKEB COc1ccc(/C(=N\OCc2ccccc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5526821 JVSYDQRQIKCCBM-PXDGOAOJSA-N 401.462 5.149 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 6622277 GTHBNSYEJROIME-NRFANRHFSA-N 403.865 5.431 30 40 HKEB C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 12194144 CGVPXPQHTVZFKS-ZCYQVOJMSA-N 416.908 6.147 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCCCCC1 13831732 UYFORPVKBPQEMO-UHFFFAOYSA-N 407.901 5.826 30 40 HKEB CN(C)c1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c2ccccc2n1 95942845 NGUDNUPMNUZNKR-OAHLLOKOSA-N 406.898 5.054 30 40 HKEB CCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl 98006134 HTKLTEPXKKXRME-UHFFFAOYSA-N 408.435 7.698 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N(C)CCOc1ccccc1 100285159 AMEFNLGVALEEFV-UHFFFAOYSA-N 417.678 7.785 30 40 HKEB CCCCCCCCCCCCCCCc1ccc(OCc2ccc(N)cc2)cc1 100889712 VMRSULRMJCPJQG-UHFFFAOYSA-N 409.658 8.482 30 40 HKEB CN(C)c1ccc(/N=C2/C/C(=N/c3ccc(N(C)C)cc3)c3ccccc3C2=O)cc1 104135250 PSDGZRPAKLWCRC-FRUUGIBISA-N 410.521 5.299 30 40 HKEB C/C(=N\c1ccc(C)cc1)c1c(-c2ccccc2)nn(-c2ccc([N+](=O)[O-])cc2)c1O 104140402 PPHZYYVLORFXLB-KOEQRZSOSA-N 412.449 5.602 30 40 HKEB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]23O[C@]24CC(=O)C2=CC(=O)CC[C@]2(C)[C@H]4CC[C@]13C 118912506 DJVSRKXHTYPLOV-KISZOFPXSA-N 424.625 6.073 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)SC1=Nc1ccccc1 260568305 ODKHKQTZLWVGGD-YQUMBKGUSA-N 419.594 6.033 30 40 HKEB COc1cc(C#N)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408537391 DKUXBBGWQZLBRP-UHFFFAOYSA-N 417.137 5.049 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)SC1=S 408815962 WDCWFUZYEZUFLO-QNGOZBTKSA-N 410.608 5.824 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1OC 408912972 OUOQQRJZYUIUQA-MYIPWOCFSA-N 424.566 5.805 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 408932685 YOYRXSKSFNCLSV-VFCFBJKWSA-N 415.581 6.024 30 40 HKEB O=C(O)COc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl 408947479 QDPCWFJJJRESER-DHRITJCHSA-N 405.837 5.967 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 409214368 UUCZYIPNNGPUKP-PCLIKHOPSA-N 420.465 5.722 30 40 HKEB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)S/C1=N/c1ccc(F)cc1 409244269 AKHPAFPUDIPJHK-XSGZQOPMSA-N 405.838 5.011 30 40 HKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4c(O)cc(C)c(Cl)c4C)c3)nc2c1 3033992 NHKJAMKHSOJEFT-RPPGKUMJSA-N 404.897 6.838 30 40 HKEB C=CCn1c(NC(=O)C2(c3ccccc3)CCCC2)c(C(=O)OCC)sc1=S 3267774 QURXHLSRXQUIAV-UHFFFAOYSA-N 416.568 5.092 30 40 HKEB Cc1cccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 4713911 RGWFWGONKQGGPU-LPYMAVHISA-N 414.290 5.758 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1 6313078 VUJXGBXQOUXBNP-UHFFFAOYSA-N 406.555 5.396 30 40 HKEB Brc1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1 8404230 WDKRZMLVROCPJY-KOEQRZSOSA-N 417.306 6.881 30 40 HKEB CCOCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 8722453 AJCFBLZSTKBFGP-INNVFMJMSA-N 421.349 5.634 30 40 HKEB C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(F)cc1)N1CCCCC1 9396362 CIGVFQFTQXLVOA-QGZVFWFLSA-N 421.545 5.117 30 40 HKEB Cc1ccc(CNc2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)cc1 33027016 UADYHNVGUYNXSF-UHFFFAOYSA-N 413.477 5.923 30 40 HKEB N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 44087421 VJVZDJSMIGBWBL-UHFFFAOYSA-N 404.720 5.571 30 40 HKEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102858722 ZQYQUVACOFFCCJ-MOBKVPTQSA-N 415.489 5.199 30 40 HKEB COc1ccc(N2C(=O)CSC2=NN=C/C=C(\Cl)c2ccc(Cl)cc2)cc1 255003858 CPQBHZMKLOKYLX-XZMJYYJOSA-N 420.321 5.050 30 40 HKEB Cc1cc(/C=N/Cc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)cc1 408784368 RYSSLWJDUNWNGL-YDZHTSKRSA-N 411.299 5.174 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 408868296 PJTJDGGMWCAUAW-HMAPJEAMSA-N 418.518 5.447 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OC 408907425 NLTXQAWEUHYJAN-NFEGURHZSA-N 410.539 5.335 30 40 HKEB C=CCOc1c(I)cc(CNc2cccc(C)c2C)cc1OC 409116086 KNFLMOITGPPUFI-UHFFFAOYSA-N 423.294 5.094 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 409216143 FQNOCPUQHISENM-CVKSISIWSA-N 409.913 6.385 30 40 HKEB CCCCCCCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 1752066 JESXGLPBPFZVAQ-UHFFFAOYSA-N 406.357 6.631 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1 2068563 CZAXYDXHRJWAMM-JCMHNJIXSA-N 416.502 5.166 30 40 HKEB CCN(CCC#N)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2294010 XNXYGFFRICQCBD-UHFFFAOYSA-N 419.472 5.460 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 5478560 SDRXWIKAJXZXKU-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3O)oc2cc1C 5541732 SYJQMDFRFMFLEG-FOKLQQMPSA-N 403.394 5.182 30 40 HKEB O=C(O)c1cc(N/N=C/c2sc(Nc3ccccc3)nc2Cl)ccc1Cl 7166992 BNSQDWXIACNFSH-AWQFTUOYSA-N 407.282 5.338 30 40 HKEB C[C@@H]1CCCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C1 33027145 YPDCWJGKLOJHNE-QGZVFWFLSA-N 413.477 5.775 30 40 HKEB CCCCCCCCCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 97952583 KFKXSGRXTMGKPU-UHFFFAOYSA-N 412.603 6.253 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)cc1 97969109 CJXJMWAMZGVMJJ-NKFKGCMQSA-N 422.594 6.626 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@@]21C 118913307 QGVQZRDQPDLHHV-PAMFVNDTSA-N 402.732 8.326 30 40 HKEB biogenic C=CCN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl 224932098 UGJRUTGQTZOENG-UHFFFAOYSA-N 421.143 5.137 30 40 HKEB COc1ccc(Cl)cc1/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544854 XXXSLCIKKHKRSD-BHGWPJFGSA-N 408.841 5.393 30 40 HKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)c1 408742132 VAIRTVLGZJGMFX-HMAPJEAMSA-N 407.583 6.119 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 408909946 IZQDNEVJYFYGJS-FTJNEJEMSA-N 402.519 5.862 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1c(C)cccc1C 408913340 SWYRABVYYNIJTN-QPVYCHHJSA-N 420.509 6.326 30 40 HKEB CSc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409078274 HFNKHPFJCZJLFB-RSXNERHXSA-N 416.999 6.322 30 40 HKEB COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)SC1=S 409349480 PPTVNFPHZDQXMB-UDWIEESQSA-N 418.499 5.233 30 40 HKEB Cc1ccc(C)c(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409378107 LWXWCTVLOLKZJF-ZMFRSBBQSA-N 410.876 5.864 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409385953 OVYBNPHVBJAODK-MMDHUZEPSA-N 407.466 5.830 30 40 HKEB C(=N/c1ccc(-c2nc3ccc(/N=C/c4ccccn4)cc3[nH]2)cc1)\c1ccccn1 842884 IMOCQSNVDFYADR-LPHFKDDMSA-N 402.461 5.521 30 40 HKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)c1 1439867 QKTHSKTZYVXHRA-QLXKLKPCSA-N 414.480 5.814 30 40 HKEB C=C(C)COc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2061384 SCHHZHVRMIFJNV-HMAPJEAMSA-N 413.473 5.538 30 40 HKEB CCCCCCCC(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 2570000 CKEGKXSZJKGMMN-UHFFFAOYSA-N 405.450 5.867 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1 2756769 QESHGPRFZGHKGL-MUPZHTGZSA-N 407.300 7.526 30 40 HKEB CC(C)Oc1ccc2c(c1)S/C(=C1/Sc3cc(OC(C)C)ccc3C1=O)C2=O 4090465 KJHXVMIYJBJWTA-QURGRASLSA-N 412.532 5.750 30 40 HKEB biogenic CCc1cc2c(cc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(C)(C)CCC2(C)C 4277223 MFXMPQHOPZLOMG-CSKARUKUSA-N 415.404 7.801 30 40 HKEB CC(C)c1ccc(/C=C(/C(=O)c2ccccc2Cl)c2nc3ccccc3o2)cc1 4808699 CNMSFWXLHAJAOC-HKWRFOASSA-N 401.893 7.028 30 40 HKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 4943691 SMLFBCWUWQWBSZ-UHFFFAOYSA-N 411.933 5.121 30 40 HKEB Cc1cc(C)cc(N/C(S)=C(\C(=O)c2ccc(Cl)s2)[n+]2cccc(C)c2)c1 6401312 JKURGCXLPXFNFT-UHFFFAOYSA-O 415.991 5.665 30 40 HKEB Cc1ccc(COc2ccc(/C=N/n3c(-c4ccccc4)n[nH]c3=S)cc2)cc1 6922854 HXNTYLHKDGFLMA-BUVRLJJBSA-N 400.507 5.377 30 40 HKEB Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(F)cc1 8811713 WLJSBTVSKQOIGB-RWPZCVJISA-N 405.904 5.914 30 40 HKEB Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9423059 PTOXLSIGILQCHH-LGJNPRDNSA-N 409.485 5.990 30 40 HKEB C=CCSC1=N[C@@H](c2ccccc2)N2C(SCC=C)=N[C@H](c3ccccc3)N12 13756944 XMUOHOCVMIOUES-BGYRXZFFSA-N 406.580 5.481 30 40 HKEB C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 15084775 JMLZQDODQCGOCS-MRXNPFEDSA-N 405.475 5.152 30 40 HKEB CC[C@@H]1CN/C(=N/c2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)S1 15453813 ZISAUCYRAURCLU-OAQYLSRUSA-N 409.558 6.671 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1)c1ccccc1 20242137 WNRNQBZZHQMORQ-TURZUDJPSA-N 423.537 6.949 30 40 HKEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 21722405 YOJVUJRGCGMGAD-DEOSSOPVSA-N 402.538 5.794 30 40 HKEB CCCCCCC[C@@H]1C(=O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 102068221 MQYJBRIBYJJYCI-DGWZTRNLSA-N 409.570 6.025 30 40 HKEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340844 VEHLRLKCKDWLEU-CMDGGOBGSA-N 419.702 5.180 30 40 HKEB CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@H](CC)CCCC 299803432 PUYRISKXBBQECH-DSITVLBTSA-N 410.683 7.995 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3O)S2)cc1Cl 408739545 XLYUIDGSBFYDCB-CHHVJCJISA-N 423.719 5.008 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408859333 SNANVMNOTSBQCL-SHESGCGWSA-N 411.483 5.371 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N\c2cccc(I)c2)cc1Cl 409011777 HPAMDRFRUXOFDW-WXYNYTDUSA-N 413.686 5.873 30 40 HKEB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 409040391 UAZAGJOFEFYXQA-UXBLZVDNSA-N 420.259 5.207 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409097572 OIKMZVSIDFUMPC-WYMPLXKRSA-N 405.845 5.092 30 40 HKEB C=CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OCC 409117039 MWZYMEYJHKXCSD-UHFFFAOYSA-N 410.739 5.987 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 409215375 ZXBNYSNFTBSLNR-JVWAILMASA-N 401.893 6.831 30 40 HKEB CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)c1 606422222 BAXFSYAOMFTUPA-UHFFFAOYSA-N 413.481 5.108 30 40 HKEB O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 1310727 ZYMCLTCVNSEGKS-PSLXWICFSA-N 419.412 5.306 30 40 HKEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OCCC)cc3)c(C)oc2c1 2107616 XHDFXRZVVZZVTP-UHFFFAOYSA-N 408.450 5.415 30 40 HKEB biogenic CCN(CC)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2233035 IXAFIIZMNHMTOD-UUYOSTAYSA-N 420.369 5.269 30 40 HKEB COc1ccc(/N=C/c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 3082714 WMDIDMARVQIDGI-VUTHCHCSSA-N 421.496 6.375 30 40 HKEB CCN(C(=O)CSc1nc2ccccc2n1CCC#N)c1cccc2ccccc12 5266654 CORJBOZDZTWHMA-UHFFFAOYSA-N 414.534 5.248 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C#N)C1 5901778 MVVHWXJHDOGKNN-CYBMUJFWSA-N 417.372 5.786 30 40 HKEB C=C(C)C/N=c1\scc(-c2ccccc2F)n1/N=C1\CCCCc2ccccc21 6313093 RUTGVLJIWVSKAY-WRKSHHQOSA-N 405.542 5.811 30 40 HKEB Clc1cc(/N=C/c2cccc(OCc3ccccc3)c2)ccc1N1CCOCC1 6756967 ZWGZBSYLKNFPBH-YZSQISJMSA-N 406.913 5.506 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCCCC1 9484833 XGFCVJGPZUSIRA-NDENLUEZSA-N 401.865 5.177 30 40 HKEB O=C(/C=C(/Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1ccccc1 17301286 FCRUHIZHWVXVGL-LHLOQNFPSA-N 403.481 6.415 30 40 HKEB Cc1cc(Cl)c(O)c(/C=N/c2c(Br)cc(O)cc2Br)c1 38162487 DYSBJUQCZADAAN-NGYBGAFCSA-N 419.500 5.335 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(OCC(=O)O)c(Cl)c3)cc2)cc1 59302427 JTGINRNQPOBOBH-ZMOGYAJESA-N 411.841 5.355 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C)cc1)c1ccc(Cl)cc1 59435509 OVBBQLYZYUNMBG-AYDYRGASSA-N 417.940 5.416 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3ccc(CC)cc3)c(C)c2s1 72228793 ZIFZFFKVRIDFEN-YSMPRRRNSA-N 424.570 5.691 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1C(C)(C)CO 104326615 AQHHRCQYBCLIPO-YPKPFQOOSA-N 406.699 7.288 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408655752 LNUKQTVPCCRAOV-FMIVXFBMSA-N 410.311 5.761 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 408722109 DVFDYSLHVLRQLT-WGOQTCKBSA-N 414.530 6.553 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408818679 OKAFRGZZEJVXRH-UHFFFAOYSA-N 415.836 5.481 30 40 HKEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(F)c1 408932795 ZHTOAKVUKQGGCN-WPWMEQJKSA-N 420.484 5.001 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cc4c(cc3Cl)OCO4)c2C#N)C1 409079684 KXZKWENODSDDDF-VRVUXBDFSA-N 400.931 5.903 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 409088585 GIKGDVGVOFZEQJ-CTOFZRSPSA-N 416.590 7.073 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1/C=N/c1ccccc1 409200008 GPYGGELZJBLUAX-BRJLIKDPSA-N 420.774 6.810 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 409216587 JPFBWQGRKGRONZ-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(Cl)c3C)c3ccccc32)o1 409391524 IJVVBYUDOYLVMT-BRJLIKDPSA-N 406.869 5.782 30 40 HKEB Oc1ccccc1NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083811735 JXDSWUIGNLYHTM-UHFFFAOYSA-N 423.197 5.246 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4cccs4)s3)c2C#N)C1 3117231 LXOBOGJXJLGNRK-FIKYGGOLSA-N 410.633 7.311 30 40 HKEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3cccc(Cl)c3)ccc21 5179601 JTOZUZASDFWSFW-NHDPSOOVSA-N 407.809 5.443 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 6851999 DPWYJGNCBFKBIH-GFCCVEGCSA-N 412.967 6.446 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/c1cccc2ncccc12 13125946 YYVFNCNQIMUTPA-AWQFTUOYSA-N 406.077 5.216 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 16745274 UFIKROPRKYADRC-JTUXUYRKSA-N 414.530 6.121 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C1 17091571 RMWVPEHPCBTJAL-KRWDZBQOSA-N 418.562 5.941 30 40 HKEB COc1ccccc1/C=C\C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682466 TZGWMQUPMCHRJQ-VIULKTAFSA-N 409.533 5.082 30 40 HKEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1 19820693 AUYZBUHJMHWOES-UHFFFAOYSA-N 414.578 5.505 30 40 HKEB C=CCn1c(Sc2nc(-c3cccnc3)nc3ccccc23)nnc1-c1ccccc1 32857508 AQYVFKKRUCFGEJ-UHFFFAOYSA-N 422.517 5.288 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 33011190 FHNAWMHBKWBTEW-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1OC 59224231 PTVZOZQDKGDCNA-ODLFYWEKSA-N 414.914 5.113 30 40 HKEB CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)O)cc2)cc1 59663915 QBXQAIYOSDJBKQ-SZXQPVLSSA-N 409.570 7.435 30 40 HKEB CCCCCCCCCCCC(=O)OCCc1ccc(OCc2ccccc2)cc1 100302659 ZHEDVLWCKWUFSY-UHFFFAOYSA-N 410.598 7.272 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 118916427 UMTNXSOYNXUORQ-DAEQJRTRSA-N 406.570 6.043 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765769 HGDAYWJRRUIRPN-UHFFFAOYSA-N 410.945 6.231 30 40 HKEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Br)cc3)nc1-2 408722561 KPJGFFBGZXWUNH-AWQFTUOYSA-N 401.285 5.224 30 40 HKEB Cc1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Br 409081039 FUGZLTSVDHICQR-VULFUBBASA-N 424.382 6.682 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)NCc2ccco2)C1 409090364 MOOXRQPIYAEXII-PZLUAEMBSA-N 421.566 5.568 30 40 HKEB Cc1cc(C)cc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 409200159 GUKPASUHYRLKRT-HTQRFZLASA-N 409.599 5.800 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 409201434 MSIOXRZLXNEKHA-HYARGMPZSA-N 404.304 5.562 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409208045 AKGWYWIATBMESM-BUVRLJJBSA-N 409.507 5.139 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 409242371 RJHOEJUWHDYIDD-LRXZINBSSA-N 405.498 5.590 30 40 HKEB C=CCN(C[C@H](O)c1ccc(OCc2ccccc2)cc1)[C@@H](C)CCc1ccccc1 1821564 KQFNCGWMLBAQJB-FIPFOOKPSA-N 415.577 5.808 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 3412632 ZUGSKODBSINUNH-UHFFFAOYSA-N 410.351 5.474 30 40 HKEB CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1 5828046 PQDGUFGMFCIZFM-CJLVFECKSA-N 416.473 5.104 30 40 HKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 6583519 HBGQDSRIOSZPBZ-GOSISDBHSA-N 408.958 5.941 30 40 HKEB Cc1s/c(=N\N=C\c2ccc(O)cc2)n(CCc2ccccc2)c1-c1ccccc1 8490694 QDSLQLMCODBQST-MHHNFKNZSA-N 413.546 5.408 30 40 HKEB C=CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl 14092052 BSPJPAQJDFEEPL-UHFFFAOYSA-N 424.784 6.307 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccc3cccnc23)cc1 16923195 GNISQFJOLLZECU-PCLIKHOPSA-N 401.491 5.095 30 40 HKEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 27018223 GIQVPKVSCFNYCJ-ZHZULCJRSA-N 417.559 5.235 30 40 HKEB Fc1ccc(-c2ccc(/C=N\Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 97962803 WGCBJKGGMQHWKL-FEDGQQDLSA-N 420.259 6.107 30 40 HKEB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 263612090 XURCMZMFZXXQDJ-KZPACXBASA-N 414.586 5.580 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)cc1 408692565 PKOUSYIQKDLHED-CCEZHUSRSA-N 401.506 5.864 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)cc2)N(C)C1=O 408960589 MZYUEDXHDVJXCJ-OMSSWJLUSA-N 411.958 5.482 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409209420 FKMPXCBLUUXPEQ-CVKSISIWSA-N 422.912 5.815 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 409213227 RTNMMOCFZQMRCZ-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)n1nc(-c3ccccc3)nc1N2 950972 ABBCYQSFXPYZRY-IBGZPJMESA-N 411.292 5.274 30 40 HKEB CC(C)Oc1ccc(Br)cc1/C=N/c1c(-c2ccco2)nc2ccccn12 1105979 HQRNIXDUOLEAEK-YDZHTSKRSA-N 424.298 5.895 30 40 HKEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 2624316 NCXCTJFTSCNEIR-UHFFFAOYSA-N 408.914 5.241 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1 4285983 VLGGCAWLKYPCKL-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1 4944876 WAENLYQJYFMAOP-IBGZPJMESA-N 423.484 5.007 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 4956391 VKDQYIVUOGMKMT-DZRHBTRISA-N 421.591 5.926 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Oc3ccccc3)cc2)NC(=S)N1 5787870 MRNYJSSPXZGHHV-JOCHJYFZSA-N 400.503 5.155 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 8398015 IQRDLCFNRIQEJR-UHFFFAOYSA-N 411.542 5.865 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 9015359 YSSMERIZMPHHKP-QHCPKHFHSA-N 420.553 5.220 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 9087508 WXRADKAACARODO-HXUWFJFHSA-N 407.853 5.020 30 40 HKEB CC(C)c1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1C1CC1 10201055 NZHZLXHHYXKNBM-NPRIEWAGSA-N 410.587 5.098 30 40 HKEB C=CCOc1ccc2c(-c3ccccc3)c(C(=O)c3[nH]c(C)c(C(C)=O)c3C)oc2c1 12759396 GAGMBJFCKKSVSQ-UHFFFAOYSA-N 413.473 6.043 30 40 HKEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)cc1 16741348 CHFNILJMRIFTAF-QHCPKHFHSA-N 417.505 5.139 30 40 HKEB Cc1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 16805401 IQWLOEBTILQKDQ-UHFFFAOYSA-N 418.871 6.893 30 40 HKEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1CC 35041751 CCZBLYBNBKHMMT-TZIVZOBOSA-N 400.931 5.231 30 40 HKEB FC(F)(F)c1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1 100913710 CFMYNFNCDPOYJG-BHGWPJFGSA-N 405.832 6.486 30 40 HKEB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#Cc1ccccc1 101674914 NRUFSPVVXJCGNK-HIGLYJDASA-N 409.573 5.907 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O 299888497 LWQQLNNNIPYSNX-HUXNOMKGSA-N 412.614 5.091 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 408761552 GPKCMRCRQMKWOM-JCMHNJIXSA-N 407.583 6.064 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945806 OBBAZPMFNAZPRY-VROXFSQNSA-N 421.711 6.503 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408959930 ARQGHZLODCLCOL-PBSOMRJOSA-N 421.349 6.062 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967680 RQVFRRQWNZMXOD-WGARJPEWSA-N 408.929 6.494 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408971511 HFRVLDNXTZGBCS-HKWRFOASSA-N 420.390 5.200 30 40 HKEB CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1O 409199137 BIDXXICOTKXENL-OEAKJJBVSA-N 412.283 6.096 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409202960 ULEVFUFLZMUXDO-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409208203 AGRNBTSFFNIGBK-YSMPRRRNSA-N 422.912 5.815 30 40 HKEB CC(=O)n1c2cc(C#N)c(C#N)cc2oc2nc3ccccc3nc2c2ccccc21 1078262 LDZSKBQHHJHCMH-UHFFFAOYSA-N 403.401 5.012 30 40 HKEB C=C(C)Cn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 2208093 ZBKRFANJUMTRQU-UHFFFAOYSA-N 416.999 5.859 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1/C=C/C(=O)O 4028897 PAZTXOBRMGJBBL-PVZLLNMYSA-N 400.515 5.262 30 40 HKEB biogenic C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O 4910538 ZRFVKKXZPIODTB-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1 5162686 PBXCONRXIALLRC-MTJSOVHGSA-N 408.812 5.623 30 40 HKEB O=C(/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)C(F)(F)F)c1ccccc1 5681095 FJPDIIQTLHAECW-SFQUDFHCSA-N 404.771 5.998 30 40 HKEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 5959314 OOAHZPGDPZTVEO-CLMGESTGSA-N 412.441 5.129 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc2ncccc12 13475649 KLQQWIOGZHFEBJ-YJOHERITSA-N 418.547 5.229 30 40 HKEB COC(=O)C(=O)[C@@H](S/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 16189587 YOVXXBXAXPEEFD-NRFANRHFSA-N 404.491 5.003 30 40 HKEB CCOC(=O)Nc1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2 18141973 ZRWIWBUMPIUMED-DHRITJCHSA-N 400.434 5.306 30 40 HKEB COc1ccc(C2=C(NN3CCC(Cc4ccccc4)CC3)c3ccccc3C2=O)cc1 20248185 XPMONDJRIKFYQQ-UHFFFAOYSA-N 424.544 5.219 30 40 HKEB CCc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3ccc(F)cc3S2(=O)=O)cc1 32950845 NWDBSBHXVQHDDW-UHFFFAOYSA-N 421.493 5.346 30 40 HKEB CCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 40486466 MQFHQMGCCZMWEJ-UHFFFAOYSA-N 407.926 5.946 30 40 HKEB CCCCC(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F 100228505 BXKITFZNQXPQEM-UHFFFAOYSA-N 410.280 5.245 30 40 HKEB CCn1nc(C)c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C 118916002 ZHLQDHFHQIQYGH-OIPHORCWSA-N 424.629 5.486 30 40 HKEB C=CCOc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)cc1OCC 208865648 JUSAEKKQSHUJPX-PDGQHHTCSA-N 417.324 5.742 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OCC 214157693 BGQBIVVHHWUHAV-RCCKNPSSSA-N 423.534 5.449 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 225768575 HGAMRQWTOMZKDH-GOSISDBHSA-N 406.526 5.585 30 40 HKEB COc1ccc(N2C(=O)CSC2=NN=C/C=C(/Cl)c2ccc(Cl)cc2)cc1 255003857 CPQBHZMKLOKYLX-ABQDHKQZSA-N 420.321 5.050 30 40 HKEB Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1I 408904019 CJWWSFOBGMKHCO-FYJGNVAPSA-N 405.279 5.795 30 40 HKEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C(=O)N1CC 408930249 UQTDVFVQGPBJEQ-UQRBVYKBSA-N 424.566 5.285 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408944732 UVXWPCWZPSDNBZ-ANMKHLNKSA-N 406.529 6.829 30 40 HKEB COc1cc(-c2nc3ccccn3c2/N=C/c2c(Cl)cccc2Cl)ccc1O 793501 FHPNUWGCXATXKF-WYMPLXKRSA-N 412.276 5.773 30 40 HKEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1 3188475 QHMFHJZRVHGPOU-WPWMEQJKSA-N 405.457 5.265 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3769422 URNFQNBHXPVDBZ-WQRHYEAKSA-N 420.317 5.795 30 40 HKEB CC(C)C(=N/Nc1nc2ccccc2s1)/N=N/c1ccc(Br)cc1 4832874 XYNSNQCAQWTEET-WFOXIITASA-N 402.321 6.224 30 40 HKEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 7006675 NIIHJULCAZFHFY-UHFFFAOYSA-N 414.465 5.038 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 10118944 VUAAYWVIKFHORH-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 15932693 XCNPPMMIWPMXFF-DZNDYGJHSA-N 406.510 6.648 30 40 HKEB CSc1nc(Nc2ccc(C)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820510 SRSFKMUDSPAALC-UHFFFAOYSA-N 401.322 6.096 30 40 HKEB COc1ccc(/C(C)=N\Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1 38196043 JGMJSHVKLYIUFA-DICXZTSXSA-N 402.885 5.795 30 40 HKEB CCCCCCCCCCCc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 100754348 WUSYQPUEBAXLML-UHFFFAOYSA-N 403.548 5.592 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/c1cccc2c1CCCC2 102224132 ZQLSZEZKZQGXEA-KEBDBYFISA-N 409.121 5.547 30 40 HKEB CC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103530210 MMHLHNRNPRYCSJ-ONEGZZNKSA-N 424.147 6.327 30 40 HKEB COc1ccc(C(=N/c2ccccc2)/C(=N/c2ccccc2)c2ccc(OC)cc2)cc1 104046574 CAZWIUFQHGHKHJ-JOKXDOCYSA-N 420.512 6.646 30 40 HKEB CCCCCCCCCCOc1ccc(/C=N\C/C=C/c2ccc(CC)cc2)cc1 104149497 IZCWHUDBOZKIHM-LICVYCILSA-N 405.626 7.901 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/n1c(-c2cc3ccccc3o2)cs/c1=N/C1CC1 105758327 VJDCOMNSZHOPIO-PKFAJZHOSA-N 412.518 5.698 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c1C 108974942 QSJPNKFTBWQZKS-UPKWEHEMSA-N 407.564 5.585 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224638580 VMSOUEPGJFSJKB-UHFFFAOYSA-N 409.507 5.177 30 40 HKEB CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC 408530758 NGQQXWSFJCDBPQ-AQTBWJFISA-N 416.930 5.419 30 40 HKEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3cc(Cl)cc(Cl)c3)o2)cc1 408780371 BIFSHGMOPWANBB-SSDVNMTOSA-N 423.321 5.124 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1 1434725 XRQFXOGDPUKNJS-BCHFMIIMSA-N 414.936 6.628 30 40 HKEB N#Cc1c(/N=C/c2c(O)ccc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 1951603 UEBUUOACCKWOGW-UXHLAJHPSA-N 414.464 7.095 30 40 HKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(Cl)c2)C12CCCC2 2262167 YXIHJFMXWCECNP-DAFNUICNSA-N 412.002 6.793 30 40 HKEB CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 4077681 JRIFTFAFJBMMON-SKCUWOTOSA-N 408.545 6.790 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@H]2c1ccc(C(C)(C)C)cc1 4117431 ZPWXFJIPDOYOKH-RUZDIDTESA-N 409.573 7.338 30 40 HKEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)c1 5445377 WOQCZGSZRORDJA-AWQFTUOYSA-N 402.170 5.212 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N\NC(=S)Nc2cccc(C)c2)c1O 5615765 KFENKUVOVKNVQH-JWLCOBFGSA-N 419.510 5.445 30 40 HKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 6239992 LCYKYGDHMKJNHS-NRFANRHFSA-N 419.864 5.132 30 40 HKEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)c1 6386117 UGOYKLMYYKWNCN-XMMPIXPASA-N 413.517 6.058 30 40 HKEB COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC#N 6789693 AIIYEXXRPNZFSQ-RIYZIHGNSA-N 400.434 5.042 30 40 HKEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 9370535 ONSPHDFJOAUURK-HXUWFJFHSA-N 424.283 5.776 30 40 HKEB C=CCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2ccccc21 10237946 BESFHFMGXKZCAL-UHFFFAOYSA-N 423.563 5.655 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 16751457 ONCOHIUCYHOSJD-WSDLNYQXSA-N 414.918 5.786 30 40 HKEB CC(C)(C)c1ccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19805300 IRMZDMGDIWTJKG-UHFFFAOYSA-N 404.564 5.725 30 40 HKEB N#Cc1cnc2cnc(CNc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1 95868340 VKILOIWJKHMHKG-UHFFFAOYSA-N 404.836 5.045 30 40 HKEB COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=S)Nc2ccc(C)cc2)c1O 104276401 XFQVVONBOACZMR-HRRUJZEASA-N 419.510 5.445 30 40 HKEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2F)c(C)c1 408722310 GXPGMNKRWUIGCF-LVWGJNHUSA-N 406.413 5.155 30 40 HKEB C=CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)S/C1=N\c1ccccc1 408730135 NSZQQPDDMYIUGZ-ZEHKLFRWSA-N 420.537 6.783 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cccc4ccccc34)NC2=O)c2ccccc21 408813143 FJKWVGRFPJDECY-JLPGSUDCSA-N 423.541 6.181 30 40 HKEB CCc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 408857719 PNMZJFJNXKDEGI-DZNDYGJHSA-N 412.558 6.620 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408914957 ZYAHGHLVVQVZGJ-FMCGGJTJSA-N 416.264 5.927 30 40 HKEB CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC 408916033 TYIRWWREVOBOMW-MIIQOVFOSA-N 410.539 5.280 30 40 HKEB CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)NC1=O 409006005 GXZAYDUHRJQVOL-CJLVFECKSA-N 402.519 5.910 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)c(C)c1 409015794 BHWXWJYQYUSZAV-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB Cc1ccc(COc2ccccc2/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1 409377543 IEMYTKSXPDZIGB-QFEZKATASA-N 408.885 5.217 30 40 HKEB COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(O)c([N+](=O)[O-])c1 409382756 QNLMEYQCWKBCCQ-FOKLQQMPSA-N 419.349 5.044 30 40 HKEB Cc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1 715879 ITWYEFXYIRTIAI-UHFFFAOYSA-N 403.507 5.131 30 40 HKEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc2ccccc12 4436023 XJIDGSAGJNKPMU-BVZFJXPGSA-N 406.489 5.155 30 40 HKEB C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2sc(C)c(C)c2c1=O 8944294 SHGFSTXSTDYOHF-AWEZNQCLSA-N 424.551 5.164 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3Cl)cc2)c(OC)c1 11867998 PITQCSVGVVXFOW-GXDHUFHOSA-N 422.864 5.473 30 40 HKEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20647839 VTTCOHYECGZDRL-CFFVULROSA-N 418.320 5.690 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=S)Nc3ccccc3)c2C)cc1 33347343 LUSNKOIYHHWIIP-UQQQWYQISA-N 404.583 5.757 30 40 HKEB CN(/C(=N/C(=S)NCc1ccccc1)SCc1ccccc1)c1ccccc1 104246517 HEXVXBIMCGORPH-BZZOAKBMSA-N 405.592 5.487 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916236 LFBOEUGQWILAMO-HNNXGNKWSA-N 406.566 5.581 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)O)cc1 210531117 YEILXFXYYDTYIO-ZUJMPGSOSA-N 421.305 5.316 30 40 HKEB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)CO5 253498532 FMUVPGOCTWGNEY-ONWPRPLRSA-N 402.619 6.004 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1 408648912 CVOOYJDBLVHWJJ-XNTDXEJSSA-N 417.505 5.564 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 408860844 GMXGZNZXUWSQPH-DHDCSXOGSA-N 407.720 5.303 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl 408968815 ZLQMUVLBCRHPQW-JFLMPSFJSA-N 422.956 6.582 30 40 HKEB CCCCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409004449 AAUGCRAGOXKZJZ-HMAPJEAMSA-N 408.414 5.281 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1 409061468 XPJLYGONYNPKSW-MIIQOVFOSA-N 424.522 5.188 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)c1 409202034 NVAXRQLBYLPQQA-VULFUBBASA-N 406.913 6.033 30 40 HKEB CC[C@@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 1078244 KGZBSZSTTNWULN-RDPSFJRHSA-N 403.522 5.495 30 40 HKEB CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1818537 ASHWHCJUBVGCLN-QFIPXVFZSA-N 423.563 5.136 30 40 HKEB CCCCCn1c(/N=C/c2c(O)ccc3oc4c(c23)CCCC4)nc2ccccc21 2157140 YHBWHZUJURZQSX-WGOQTCKBSA-N 401.510 6.308 30 40 HKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 2229663 HYJHCCAUGUMEKR-QFIPXVFZSA-N 412.580 5.178 30 40 HKEB COCc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC 2807156 ZOWFRVZDOZUWQA-UHFFFAOYSA-N 424.537 5.242 30 40 HKEB Cc1ccc(Sc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C#N)cc1 3104507 FNTGEUOTJDKKAA-UHFFFAOYSA-N 412.436 6.289 30 40 HKEB CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 3665980 YYRDUGSLGUBVMO-OBUXZSPNSA-N 413.546 5.557 30 40 HKEB CCOC(=O)[C@]1(C#N)C(/C=C/c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 4670942 DWJUYFSZVXMKOE-ZFEZHXFPSA-N 421.500 5.390 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 4869640 YQUPKFFMVYWKGH-AKFYTOGBSA-N 422.598 5.085 30 40 HKEB O=C(/C=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccccc1 5515456 SFFSJLHWUUOVLY-DHZHZOJOSA-N 403.787 6.442 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2ccccc2o1 6456608 ZYDJHAUGXAFCJC-UHFFFAOYSA-N 418.522 5.225 30 40 HKEB C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)c1 6669730 ZVGGSEMEWHTQSD-UHFFFAOYSA-N 400.272 5.740 30 40 HKEB biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc3ccccc23)cc1 7777876 DGPLTMGZTCCNLQ-VHEBQXMUSA-N 414.508 6.897 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21 9423715 QCAMHPUNGSPIBN-WYMPLXKRSA-N 415.876 6.027 30 40 HKEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)Nc1ccccc1S2 13524943 LZJJMPPSUXVRHI-RPPGKUMJSA-N 400.429 6.145 30 40 HKEB CC1=C(C)C[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)[C@@H](C(=O)O)C1 17088049 ZZRSVDNKCRYOFK-ROUUACIJSA-N 408.523 5.289 30 40 HKEB COc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1 27018888 LMTLMMGUVAQUHT-XMHGGMMESA-N 400.390 5.168 30 40 HKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 97953158 GXFNRYUZEMCXCH-QFIPXVFZSA-N 417.597 6.616 30 40 HKEB COc1cccc(C(=O)/C=C(\C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 107736840 MBWPUEGMRATOEL-IZZDOVSWSA-N 403.322 5.931 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216829783 YMZXYUMEOTYNPG-UHFFFAOYSA-N 415.700 5.967 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 409086286 GRZAIJGCAPWYEY-VULFUBBASA-N 416.412 5.307 30 40 HKEB O=[N+]([O-])c1cccnc1N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409103080 DECMRBQVGFEBHW-FOKLQQMPSA-N 417.252 5.322 30 40 HKEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(-c2ccc(F)cc2)o1 1531385573 OIIRPEPZPRRZRV-JVWAILMASA-N 409.420 5.345 30 40 HKEB O=P1(N/N=C/c2ccccc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1 3198739 PQGXVOUBXHHSCO-MFKUBSTISA-N 420.836 6.569 30 40 HKEB C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccco1 4538340 JDMYPLCCAXETIE-UHFFFAOYSA-N 416.506 5.269 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O 4910631 DMVPLLODPYNUCR-GOSISDBHSA-N 423.944 5.051 30 40 HKEB C[C@@H](/C=N/n1cnc2c([nH]c3ccc(F)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 5137501 RNZTWXQRUKLPNK-QJXMJWHHSA-N 404.489 5.027 30 40 HKEB C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3ccc(O)cc3O2)N1 6232537 TZYZVFHMXGIUPT-KKSFZXQISA-N 400.569 5.112 30 40 HKEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1Cl 8381484 WZHODFZFDOHUGF-JOCHJYFZSA-N 411.892 6.793 30 40 HKEB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3sccc3C#N)[C@@H]2c2cccs2)cc1 9245654 LLMUQFQNDADQHN-FXAWDEMLSA-N 421.547 5.113 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1cccc(C(=O)O)c1 16188907 YWFWPXRSJRHBIC-WRANEOQNSA-N 422.437 5.018 30 40 HKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\C2CCCCC2)cc1 33435813 VEGADIJHETUOQY-ZQULZTDNSA-N 407.602 5.488 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 39921295 WFNWNOFWWWTYDA-HXUWFJFHSA-N 414.914 6.150 30 40 HKEB CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCC)cn2)cc1 98044767 IWZAFMARMJZJDW-UHFFFAOYSA-N 410.646 8.176 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 102947567 FQWQKTAQQOEGNW-ZTZPXUSLSA-N 408.288 5.191 30 40 HKEB Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)sc2cccc(F)c12 103504870 JOHUABUYSVBPDE-CYBMUJFWSA-N 421.280 5.617 30 40 HKEB COc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1 104160223 YVSSQMPXTGEUPV-CFRMEGHHSA-N 400.261 5.972 30 40 HKEB Cc1cc(/N=C\c2cc(F)c(N3CCCC3)cc2C)ccc1I 110506498 GURVCGJOQPQBEF-UUYOSTAYSA-N 422.285 5.398 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3nnc(C(F)(F)F)s3)o2)c1 408720776 ZESFOLXICMYPSH-KPSZGOFPSA-N 402.741 5.129 30 40 HKEB C=CCn1c(C)c(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)c2ccccc21 408817266 VPHPMXOFAWJLHM-MFKUBSTISA-N 406.551 6.003 30 40 HKEB CCCCc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408851045 UZJLRGHMPLFIJR-WPWMEQJKSA-N 417.505 6.066 30 40 HKEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1ccc(C)cc1 408910343 KEDBTTMTEPTDJM-ZHUAHHRVSA-N 416.930 5.290 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 408913812 RONVBOOCIDWECP-LBMUFILHSA-N 424.566 5.805 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(OCC(C)C)c2)S/C1=N\c1cccc(C(=O)O)c1 409065327 GAPMRZMFQRIJSA-PEOCZFDFSA-N 424.522 5.044 30 40 HKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC 409076693 BUXVYYKIKBYFCC-AXNZHVIBSA-N 420.578 5.932 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409207898 CHGIBTAAVSOVAK-PCLIKHOPSA-N 423.534 5.529 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 409210417 JSTCCQPQIDBTSL-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(C)cc4)cc3)cc2)cc1 409242222 VSNGFUFQMFXDJB-TURZUDJPSA-N 409.554 7.998 30 40 HKEB C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccc(C)cc1 6155545 VWHGHESLQXUQIO-UHFFFAOYSA-N 409.555 5.351 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 8362892 UIOBDYPMMQLZRU-CUNGHOPLSA-N 401.329 5.381 30 40 HKEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 8559381 NVCYMBVCZRSATC-XMMPIXPASA-N 417.940 6.096 30 40 HKEB N#Cc1c(SCC(=O)Nc2cccc(F)c2)nc(-c2cccs2)c2c1CCCC2 8986549 FKZWEOIMAHCUBK-UHFFFAOYSA-N 423.538 5.430 30 40 HKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccccc3F)ccc21 9191948 ZPWGBPOUVDQNRF-NHDPSOOVSA-N 415.247 6.328 30 40 HKEB C=CCn1c(SCc2cccc(F)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 33267935 OVNXUHFHBBEYHM-UHFFFAOYSA-N 405.498 5.019 30 40 HKEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1F 57992780 VLTZYMNIFISJEE-LJQANCHMSA-N 420.315 5.216 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)c2C)cc1 83309748 JWDTVGVFGSENSY-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCCCCCCCCCCCCCCCCCN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 104155928 LQOYKQHSYJNBKA-ZJZGAYNASA-N 419.650 6.410 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC#N)c(OCC)c2)S/C1=N\c1ccccc1 211060291 FDRNWSBQAFHIHQ-DXWKDWEQSA-N 421.522 5.002 30 40 HKEB C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556922 KWXSJNYEWKGEBP-HXUWFJFHSA-N 424.349 5.736 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC 408624093 UIEZNKVGIIUQMN-UHFFFAOYSA-N 403.478 6.003 30 40 HKEB Cc1cccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)c1 408723567 WPRMOKLTFTXLHW-BZZOAKBMSA-N 402.450 5.324 30 40 HKEB C=CCn1c(C)c(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408785399 ZCDFJFVBMYORAE-DLBLZJNESA-N 403.551 5.298 30 40 HKEB Cc1cccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)c1 408931494 MHWAJUOORYSECC-MTDXEUNCSA-N 409.533 5.585 30 40 HKEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408946006 OPRYHFQGXJAULC-MYKKPKGFSA-N 410.857 5.203 30 40 HKEB O=C1c2ccccc2C(=O)N1c1ccccc1SC(F)(F)C(F)(F)C(F)(F)F 2088022 GSPFKEWQCCIBDZ-UHFFFAOYSA-N 423.309 5.370 30 40 HKEB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 4628589 TUPWXDDHBMZTCX-JXFKEZNVSA-N 410.583 5.957 30 40 HKEB N#Cc1cccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c1 4769771 LLCBQLAQJIZBCS-UHFFFAOYSA-N 415.543 5.100 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1cc(Cl)ccc1O 5482206 NIFRTLNJYXMLOL-XMMPIXPASA-N 403.909 6.508 30 40 HKEB CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1 5641972 KCPQJMVCEMXXJP-QFIPXVFZSA-N 417.534 5.441 30 40 HKEB Clc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Cl)c1 6149927 IYTWSELXJVPDJZ-YXSASFKJSA-N 417.148 6.870 30 40 HKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1 59250402 OEHZSTKEBPNDRM-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB CCc1nc([C@@H](C#N)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc1C 71820776 WFNATYSQLHBDPH-NSHDSACASA-N 409.458 5.441 30 40 HKEB CCOc1ccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)cc1 72228697 NXOASNORUKIYFD-QFEZKATASA-N 410.543 5.762 30 40 HKEB CCCCCCCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21 96021543 SNMTVGARAHPBRP-UHFFFAOYSA-N 402.586 6.561 30 40 HKEB CCCCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 107780561 HWSFKRVZKSVTHC-UHFFFAOYSA-N 423.553 5.307 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 252511747 KHWMMNOVUASODC-YAPMSVCJSA-N 419.609 5.639 30 40 HKEB COc1cc(C=Nn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 254305321 MNAVICLDNOSQGO-UHFFFAOYSA-N 416.506 5.077 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408934639 BLUGSHLHQDKZBJ-CGKZPPRLSA-N 404.513 6.276 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409209252 IIRPVDODWSPWRQ-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409218224 ZKKYCVQEUZEVAW-JVWAILMASA-N 416.521 5.779 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409218259 ZTDHAALQJNJACG-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(Cl)c1 409310741 CTRCZGXGKFNNLV-UHFFFAOYSA-N 418.722 5.037 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1 409323150 NYHZVWVECZNMMH-NTVYCZHJSA-N 414.303 5.032 30 40 HKEB CC(C)c1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cccnc3)CC(=O)O4)C2=O)cc1 1081803583 HFGQYYBQZSKXQS-CNSRZQHFSA-N 411.457 5.262 30 40 HKEB Cc1ccc(C(=O)C2=C(C(F)(F)F)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)s1 2732165 VMIUDFWTFHBFFL-AWEZNQCLSA-N 424.835 5.016 30 40 HKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 3208239 XIVXPKFDIAFEAQ-WYMPLXKRSA-N 420.808 5.478 30 40 HKEB C=CCn1c(C)cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1C 3292886 GNUOUDAKMIMETO-UHFFFAOYSA-N 419.575 5.938 30 40 HKEB COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)c1 4337413 IQIMBLAOLLAALP-NRFANRHFSA-N 409.526 5.517 30 40 HKEB CCCCCc1ccc(/C(C)=N/Nc2ccnc(SCc3ccccc3)n2)cc1 4595757 ZRYBDABARRFNMP-ZXVVBBHZSA-N 404.583 6.338 30 40 HKEB COc1ccc(/N=C/N(Sc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 5661427 AKBIXFVVJSRSCC-PXLXIMEGSA-N 409.467 5.486 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2C#N)C1 6764136 PVIBESXCVIVDPQ-CYBMUJFWSA-N 405.548 5.025 30 40 HKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N/c2ccccc2)N1Cc1ccco1 9323323 WZQDFNLYQGAXDD-JUAGQRJUSA-N 410.882 5.443 30 40 HKEB COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 9404272 SYXSQXFUFGEOHA-RAXLEYEMSA-N 424.572 5.495 30 40 HKEB C=CCc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2Cl)c(OC)c1 12871930 FDIZQUGDUOHDBC-UHFFFAOYSA-N 423.896 5.887 30 40 HKEB COc1ccc(-c2c(C)nn3c2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]3c2ccc(C)cc2)cc1 14163773 KXFFLJNLIOPALN-LMKMVOKYSA-N 413.521 5.444 30 40 HKEB N=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)[C@@H]1c1nccs1 34745453 ZEAQIPLMLYGEAH-KIMFWDJISA-N 410.495 5.279 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1O 35183096 QDWGQYVKABJZLW-FSJBWODESA-N 409.829 5.265 30 40 HKEB CCc1cccc(CC)c1NC(=O)C[C@](C#N)(C(C)=O)c1c(Cl)cccc1Cl 40155622 JBCAGASZSLUUCS-QFIPXVFZSA-N 417.336 5.497 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 102453895 MCYQVXXYNJKROK-UHFFFAOYSA-N 413.518 6.758 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408737620 FBAPHDRHUAUPSN-NVNXTCNLSA-N 423.719 5.008 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408756245 YIDSPJFKAJPNOF-HMAPJEAMSA-N 419.525 5.687 30 40 HKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1cccc2ccccc12 408918493 LDSSBFTXZMIMSV-MUFRIFMGSA-N 424.500 6.650 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2)c1 409215875 GACRZDSJWHAOSO-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB Cc1cccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1C 2158808 RQOCBLMMVJBBMG-UHFFFAOYSA-N 422.484 6.120 30 40 HKEB COc1ccc(CCNc2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)cc1OC 2405145 IXHDQEVXSVIHNK-UHFFFAOYSA-N 405.498 5.183 30 40 HKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 2751685 KKSAICFYOKWPJD-KRWDZBQOSA-N 410.583 6.202 30 40 HKEB C[C@H]1CC(C)(C)Cc2c1sc(NC(=O)c1ccccc1Br)c2C#N 3227432 OPDNNSLJIXUEQC-NSHDSACASA-N 403.345 5.710 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)C 4028771 LCUKMHPCBNPUCR-INWJIATQSA-N 401.591 5.662 30 40 HKEB biogenic COc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1OC 4828711 UBTUQLHAFXGUFF-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(/C)c4cccc(O)c4)c3c2C1 5065854 KETZZCMRQKCPNM-IMVGLAPISA-N 408.571 5.774 30 40 HKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 8570891 BVUFMIZVVBDVPS-DHRITJCHSA-N 400.305 6.640 30 40 HKEB CCOCCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 8684495 OTLQDNRRFUIIGY-SQFISAMPSA-N 424.616 6.359 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1 13029439 RZPOSNYGYZFGGC-UHFFFAOYSA-N 421.525 6.018 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\[C@@H](C)c1ccccc1 13286331 PQVQKEMBEVUXHP-WNDXJDGESA-N 423.607 5.890 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 13757024 UEYKFNARSKNHII-DHRITJCHSA-N 423.303 6.058 30 40 HKEB C=C(C)CN(CC)C(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 32178903 MKGPAJIBQZRVRJ-UHFFFAOYSA-N 415.331 5.048 30 40 HKEB C=CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40160245 ZKQMTHRDLPUSPG-MIWMXLOXSA-N 423.516 5.241 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 59714981 SBNSHXIGJMMISM-OEAKJJBVSA-N 411.845 5.095 30 40 HKEB CC(=O)N(c1nc(/C=C2/CCc3ccccc3C2=O)cs1)c1c(C)cccc1C 96924489 MOMKOEOJYVNTGE-UYRXBGFRSA-N 402.519 5.657 30 40 HKEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc2ccccc12 101470090 MKBCWUQQTRBHST-YYADALCUSA-N 411.490 5.154 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)c(OC)c1 104373393 PUPWVGAWSKUAEC-HKOYGPOVSA-N 407.624 5.423 30 40 HKEB CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@@H](C)CC1(C)C 198101530 QTVQGXVYYVGDLY-JCJHSNGYSA-N 412.577 7.650 30 40 HKEB O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 408790921 RZHHBSOBLURKOA-MZURAFEFSA-N 420.921 5.850 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 408937782 OTLVXDXFNIVNHY-MPLDYXJRSA-N 408.501 6.301 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)c1 3090264 IGVJKIGDCBTNFL-AFUMVMLFSA-N 409.401 6.012 30 40 HKEB CSc1cc(-c2ccccc2)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N 3105311 ZERZMTNUZMZWJV-UHFFFAOYSA-N 401.318 5.464 30 40 HKEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OCc1ccccc1 4919802 BDTGSAQBOLHBGW-ZMOGYAJESA-N 410.857 5.072 30 40 HKEB COc1cccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944867 QYECAEXOGZYHOL-GOSISDBHSA-N 423.484 5.007 30 40 HKEB O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)s1 6257927 GWCJWWAWABIIOS-DTQAZKPQSA-N 415.945 7.767 30 40 HKEB C=CCN(CC=C)C(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 9575286 OXLHNDZKVFIZOP-UHFFFAOYSA-N 423.896 5.001 30 40 HKEB COc1ccc(/C=C\C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 11617083 LYXAWHFQYXQSKX-WCIBSUBMSA-N 415.533 5.746 30 40 HKEB COc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 33417150 XFPBVSLAUKWNBE-PDGQHHTCSA-N 406.865 5.586 30 40 HKEB COc1cc(/C=N/c2ccc(C(C)C)cc2)ccc1OCc1cccc(C(=O)O)c1 59249255 FCCAWSKLVMSGAZ-CVKSISIWSA-N 403.478 5.846 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/CC23CCC4C[C@@H](C[C@H](C4)C2)C3)c1 100483611 YFQLMBQMQOSMSL-DJHRUZMRSA-N 407.308 5.088 30 40 HKEB C/C(=C/N1CCCC[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118922853 MQHJWPXWEQBQHC-DUSKIRFPSA-N 409.658 6.913 30 40 HKEB Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc2ncccc2c1 197857159 OAISDNKQAFGVAZ-NDZAJKAJSA-N 401.513 7.060 30 40 HKEB C=CCSc1nnc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)s1 225637120 NACUTAVBFNGJNW-NBVRZTHBSA-N 409.536 5.004 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 408961092 ACHZHAKIGNCTOW-HYARGMPZSA-N 418.493 5.605 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCCCC2 408964034 MDNCPQDUGCXVQU-YTDNVGSLSA-N 414.574 7.075 30 40 HKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409074592 VQIAPSQNLJFFIE-ZVHZXABRSA-N 420.925 5.348 30 40 HKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1 409349489 QLCGIGBFESDPPX-QNGOZBTKSA-N 403.528 5.810 30 40 HKEB N#Cc1ccc(Nc2cccc(C3CCN(Cc4ccc5ccccc5c4)CC3)n2)cn1 585293281 DTLUQLNWERAWDM-UHFFFAOYSA-N 419.532 5.625 30 40 HKEB Cc1c(C(=O)Nc2ccccc2F)sc(NC(=O)c2cccc(Cl)c2)c1C#N 871234 VTSQDSZXYUXVHO-UHFFFAOYSA-N 413.861 5.225 30 40 HKEB CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(Cl)cc2)C12CCCC2 2372157 BXBPLVJVQYUJCD-DAFNUICNSA-N 412.002 6.793 30 40 HKEB CC[C@H]1CCc2c(sc(/N=C(\O)C(c3ccccc3)c3ccccc3)c2C#N)C1 2739154 SUAOCIGMUPDMLJ-KRWDZBQOSA-N 400.547 6.555 30 40 HKEB FC(F)(F)c1cnc(/C=N/OCc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 3106009 NMWSJSGJWQVXIM-VVAXDPKNSA-N 418.124 5.372 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccccn3)sc3c2CCCCC3)cc1 4545790 IOKJRAABTGNBHS-MFKUBSTISA-N 405.523 5.424 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1O 5345422 BVKVUDBPPOHFTG-JOCHJYFZSA-N 405.885 5.240 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2C#N)C1 6824568 PVIBESXCVIVDPQ-ZDUSSCGKSA-N 405.548 5.025 30 40 HKEB O=[N+]([O-])c1cccc(-c2cs/c(=N\N=C\c3ccc(F)cc3)n2-c2ccccc2)c1 8766443 WBVBLQGLAFWIFD-WXOGBGICSA-N 418.453 5.188 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c(C)c1 8780995 PIZVGVHULWZVHV-UDWIEESQSA-N 418.474 5.153 30 40 HKEB Cc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 9196081 FOMCMSULNZBHQU-UVHMKAGCSA-N 422.359 6.429 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 9259322 GTDICEVUMMTYJP-VXLYETTFSA-N 418.818 5.347 30 40 HKEB C=CCn1c(Sc2ncnc3scc(-c4ccc(C)cc4)c23)nc2ccccc21 12636219 CARKKUZVPXYZNY-UHFFFAOYSA-N 414.559 6.354 30 40 HKEB Cc1cccc2cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c(O)nc12 13807152 DIDGJCLOZYPLRR-KBKYJPHKSA-N 411.490 5.367 30 40 HKEB O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 15013312 MQPOZVHOZMNSBU-NVTWWLNUSA-N 406.894 5.854 30 40 HKEB C=CCOC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C 27748528 ZWOIPWUNLNLGEM-UHFFFAOYSA-N 410.879 5.054 30 40 HKEB CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 33567464 ZRTBQIULPYUWAF-KSXCTLEASA-N 422.598 5.796 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102803155 GWLDMHGQQNVKIE-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C(C)C 223618500 MFQMQQWRJZAICM-NFXIUMSZSA-N 413.403 7.009 30 40 HKEB FC(F)(F)/N=C1C(=N\C(F)(F)F)/SC(=Nc2ccccc2)N/1c1ccccc1 255980111 IZFZCMFMJKDHJZ-ZZFYYJJNSA-N 416.350 5.764 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408859459 XSBGZOJZWPECPU-GRSHGNNSSA-N 416.930 5.275 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409226301 URBTZNSFOQSZNO-ZMOGYAJESA-N 423.856 5.325 30 40 HKEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 609460614 XMLBEQJTXANZHH-CPUCHLNUSA-N 413.226 5.497 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 2284494 OIQLNJXEZXXLOL-QGZVFWFLSA-N 418.628 5.729 30 40 HKEB CCOc1cc2c(cc1OCC)-c1c(C#N)c(/N=N/c3ccccc3)c(C)n1CC2 4670945 UISQCTOTVRTOGC-CYYJNZCTSA-N 400.482 6.104 30 40 HKEB CCN(CC)S(=O)(=O)c1ccc(NN=C2CCCCCCCCCCC2)nc1 7160098 SHWLEGXZXWFRML-UHFFFAOYSA-N 408.612 5.185 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1C 8821058 KJXDXYGTYBNZKF-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1ccc(Cl)s1)[n+]1ccccc1 9403362 BCDRZNPOBRAABB-UHFFFAOYSA-O 422.382 5.702 30 40 HKEB aggregator C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 12654087 RYZOQJGBGALJTK-LAEUHMPSSA-N 403.680 6.501 30 40 HKEB COc1ccc(C2=NN([C@H](C#N)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 13880395 HBUVNOADDUOJFD-DNQXCXABSA-N 412.449 5.019 30 40 HKEB Cn1ccnc1[C@H](/N=C(\O)Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 16261739 QHSJRVCWMLUTQU-XMMPIXPASA-N 415.924 6.029 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 32840942 OKMWKBLSFKFYGZ-DEOSSOPVSA-N 414.671 6.705 30 40 HKEB endogenous,in-man Fc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCCCC2)c(Cl)c1 100384190 FWGSCWVQRUIDMH-OGLMXYFKSA-N 422.931 6.799 30 40 HKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102634465 CSHXGXPVOICVJD-PTRHGPIFSA-N 411.542 5.268 30 40 HKEB CCCCO[C@@H](C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103539281 FALRNNRIEOOHTH-SSDOTTSWSA-N 400.228 5.269 30 40 HKEB Cc1ccc(C(C)C)cc1COc1nn(Cc2cccc3ccccc23)c(N)c1C#N 225849166 UBMGRYMZGUPGJT-UHFFFAOYSA-N 410.521 5.549 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1F 408592549 MLWPWFOGDVLGEU-JFLMPSFJSA-N 404.441 5.226 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@H](C)CC 409101672 XDAGEBMJIBWERG-LPUHGPTISA-N 415.843 5.776 30 40 HKEB CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 409215638 CSXOKUTYHKHUTI-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCC 409217072 NSIXCIGGOZXQPZ-CIAFOILYSA-N 423.294 5.456 30 40 HKEB COC(=O)c1ccc(C)c(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 409249516 UNJXAHOHHICMEY-FSJBWODESA-N 412.283 5.863 30 40 HKEB C=CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S 409328341 SMBJRTNZZMTZCS-KGENOOAVSA-N 404.560 5.385 30 40 HKEB CC(C)C[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1OC(F)F)C3=O 524733270 CIDQASFPNDOKCJ-KPYNCUPYSA-N 414.404 5.343 30 40 HKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 3167695 NEMUNBOLRQNSQK-OEAKJJBVSA-N 410.267 5.428 30 40 HKEB Cc1ccc(OCCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1C 3671542 CZIONTZVPCQNMQ-UHFFFAOYSA-N 402.519 5.135 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(/C)c4ccc(C)cc4)c3c2C1 5054644 ZLRKEESVQBLHOE-ZQZJVFIWSA-N 406.599 6.377 30 40 HKEB CC(/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O)=C\c1ccccc1 8396033 KEUVMSDVXCFRSC-CUWUDDDHSA-N 424.569 7.058 30 40 HKEB Cc1ccccc1Cn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 8812023 OOYZEEPEYNXOLS-LQKURTRISA-N 401.941 6.084 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 10118973 DZEPJEXVGXDXIB-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 12569009 UNGXLTGBEHENHL-UHFFFAOYSA-N 424.485 5.186 30 40 HKEB N#Cc1ccc(/C=C\c2ccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 13403130 OMBKGCHLHBHHMG-VTBWALSUSA-N 422.400 5.587 30 40 HKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 59483067 KXGWXFRAZPZXME-FYJGNVAPSA-N 424.283 5.917 30 40 HKEB Fc1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 97972312 WGCBJKGGMQHWKL-OAHLVZFQSA-N 420.259 6.107 30 40 HKEB CC(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1 98086898 LCIPFHSWPGLDSR-DHRITJCHSA-N 419.868 6.930 30 40 HKEB CC(C)/N=C(\c1ccccc1)n1c(=S)nc(-c2ccccc2)n(C(C)C)c1=S 100862434 WKWCIMLYBZZBKD-FCDQGJHFSA-N 408.596 6.095 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)c(Cl)c3)NC2=O)cc1OC 107865366 VIGZCPDTQGYIQV-ODLFYWEKSA-N 414.914 5.113 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 408906107 AOADMOQNXPFHHX-LBMUFILHSA-N 402.519 5.781 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl 409016415 CKOFUQNWONFURS-YQNUULROSA-N 400.931 5.717 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)NCc2ccco2)C1 409091300 SOMNESUAZDBRSG-MWQSPYHUSA-N 421.566 5.568 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 409203003 UCFZYDPFHNUHSI-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)c1 409216775 OJSRMTALPRVLKU-VULFUBBASA-N 406.913 6.033 30 40 HKEB O=C1/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)Cc2ccccc21 409368169 ODHZPCSIUSXJPG-XDHOZWIPSA-N 405.291 5.851 30 40 HKEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 677285 ORHCQWJDDKRNLS-XMMPIXPASA-N 423.553 5.318 30 40 HKEB Cc1ccc(S(=O)(=O)OCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 3158281 BJXVUAVDVJACLW-UHFFFAOYSA-N 418.599 5.634 30 40 HKEB O=C1/C(=C\c2ccc(Br)cc2)CC/C1=C\c1ccccc1OC(F)F 3209998 XNSQNQUDMAXKHA-UKVBVZPVSA-N 405.238 5.880 30 40 HKEB CN(C)c1ccc(/C=N/c2ccc(OCCCCCCCCCCC(=O)O)cc2)cc1 5390247 PHDJERWUKXIOQC-SZXQPVLSSA-N 424.585 6.478 30 40 HKEB O=C(Nc1cccc2ccccc12)O/N=C(/Cc1ccccc1)c1ccc(O)cc1O 5602516 IUCQQPPSXQTSDN-VYIQYICTSA-N 412.445 5.447 30 40 HKEB COC(=O)Nc1sc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccccc1 5839784 JCRLKHFEVRVVMW-OEAKJJBVSA-N 408.527 5.732 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1[N+](=O)[O-] 6474361 UISWBORONPHGGI-UHFFFAOYSA-N 423.497 6.488 30 40 HKEB N#Cc1cccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1 9461548 NTCGNTZADBLPLD-UHFFFAOYSA-N 424.485 5.186 30 40 HKEB CCC(=O)c1ccc(OCC(=O)Nc2cc(-c3ccc(C#N)s3)ccc2C)cc1 48355525 MUKCYUDYDSSLMG-UHFFFAOYSA-N 404.491 5.205 30 40 HKEB CCCCCCCCCCCCCC[C@@H](CCCCCCC(=O)OC)C(=O)OC 101673548 UUFMVVDMEZDMBI-QHCPKHFHSA-N 412.655 7.380 30 40 HKEB CCCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 105294302 KLJNWYXHCKEMHP-RLWLMLJZSA-N 420.597 6.657 30 40 HKEB CC(C)(C)c1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(C(C)(C)C)c1O 408762526 OTAFIEHVHFTDQN-RGEXLXHISA-N 408.567 5.879 30 40 HKEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)c1 408763300 RZDOCJNYSUHYSH-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3C#N)cc2)c1-c1ccccc1 408978289 HTGKSWBFKOLORX-UHFFFAOYSA-N 416.484 5.629 30 40 HKEB Cc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4C(=O)O)c3C)cc2)cc1 409215175 XXBSXMFRFMHNNN-OGLMXYFKSA-N 424.500 6.644 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(F)cc2)N(CC)C1=O 409239848 QXKIPINBTWZSLK-TXFBGOCOSA-N 404.894 5.502 30 40 HKEB COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1O 3032285 MINBZYGPJGBNIO-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 7087898 QTWWQHGOASBHAE-SANMLTNESA-N 420.516 5.364 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 8362995 LOLRDLCJZWKZQC-SMSCYPBYSA-N 401.875 5.181 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 8811912 YHQXCZBWMINBBP-JFLMPSFJSA-N 419.912 5.313 30 40 HKEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2cc(OCc3ccccc3)ccc21 9048634 SQPJQJMKPXJXSI-YVNNLAQVSA-N 420.848 5.402 30 40 HKEB Cc1ccc(/C=N/n2c(-c3cc(C)c(C)cc3C)cs/c2=N\C[C@H]2CCCO2)o1 12542991 IKYMTHJEYFNKAY-CFLYZDFZSA-N 409.555 5.005 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 59417073 KOXPKYILESWXQJ-AFUMVMLFSA-N 420.900 5.640 30 40 HKEB Cc1ccc2c(-c3ccccc3)nc(N/N=C/c3cccc(Br)c3)nc2c1 79068570 RPILIPSOLDZGRM-ZVHZXABRSA-N 417.310 5.814 30 40 HKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2[N+](=O)[O-])=C(O)C1 87724199 DUGRMDBVAGUQJS-UHFFFAOYSA-N 413.470 5.081 30 40 HKEB N#C[C@@]1(c2nc3ccccc3s2)C(=O)N(Cc2ccccc2Cl)c2ccccc21 96191564 CPSNRNMXEMIGEK-HSZRJFAPSA-N 415.905 5.306 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O 104885278 GMRQFYUYWCNGIN-FAUDWNASSA-N 416.646 5.705 30 40 HKEB O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 408725348 HLLPAELVHFVYKS-SHSCQTOKSA-N 418.949 6.013 30 40 HKEB CC(C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408784009 RJZMFZILWOYOBY-YBEGLDIGSA-N 407.322 5.672 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 408861109 NFKWCUJJEFNADG-MNUWZKAXSA-N 410.970 6.523 30 40 HKEB CCn1cccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O 408939729 UDAREZDXRFHLND-WMOWQXFYSA-N 401.535 5.181 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409212355 QHRYQNKRCDWVAN-PCLIKHOPSA-N 423.534 5.529 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409323258 NASKNHQUXNYIDU-UHFFFAOYSA-N 424.751 5.099 30 40 HKEB C[N+](C)(CCC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1Cl 1759508 JGGNAHLBDMVAPS-UHFFFAOYSA-N 402.945 5.226 30 40 HKEB O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccc(Cl)cc3Cl)ccc21 2404173 QMHWAQIMIPFYTA-HEYHWPDRSA-N 423.295 6.745 30 40 HKEB COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c(OC)c1 4417991 RDQURZAQBLJOIL-XMMPIXPASA-N 401.487 5.570 30 40 HKEB CN(/N=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cc(-c2ccccc2)n1 4595674 BNGCQMBJDCEOQR-KOEQRZSOSA-N 409.449 5.189 30 40 HKEB N#Cc1ccccc1CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4677228 ISSYEVZYBPXSSS-UHFFFAOYSA-N 410.506 5.523 30 40 HKEB O=C(CC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1 4776397 HKLLGIQHTHHZOS-UHFFFAOYSA-N 402.450 5.397 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccc(C)o2)cc1 5021078 XCFSKRXWZRJBEB-QHCPKHFHSA-N 401.510 5.591 30 40 HKEB CCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCC)cc3)c([N+](=O)[O-])c2)cc1 5336352 GEVWUVYNVBFVFO-ZZZAPRPPSA-N 417.465 5.893 30 40 HKEB CCN(CC)CCOc1ccc(/C=N/c2ccc3c4ccccc4n(CC)c3c2)cc1 5389986 XRDAWQNISPXEJX-VFCFBJKWSA-N 413.565 6.286 30 40 HKEB C=CCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10119114 CVXFJKJACWDZDH-YDZHTSKRSA-N 423.738 5.190 30 40 HKEB Cc1c(Cl)ccc2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc12 10254359 VEMXGUJMWBRIAZ-UHFFFAOYSA-N 418.909 5.372 30 40 HKEB N#Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(F)c1 33380583 JGXODYINIUTKTI-UHFFFAOYSA-N 418.811 5.376 30 40 HKEB Fc1ccc(-c2nc(CO/N=C/c3cccc(OCc4ccncc4)c3)co2)cc1 58032436 LNRBQAFABMWODZ-LGJNPRDNSA-N 403.413 5.005 30 40 HKEB Fc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 59475146 LTDVLSDEBGSZSV-AFUMVMLFSA-N 407.901 6.716 30 40 HKEB CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95810790 UXOMJEKWJPXIKA-UHFFFAOYSA-N 404.210 6.696 30 40 HKEB CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 100073809 ITHHAMXFKSCSDS-CVKSISIWSA-N 401.462 5.683 30 40 HKEB CCOC(=O)c1c(/N=C/c2ccc(N(CC)CC)cc2O)sc2c1CCCC2 100854037 ZEAQLWGVRUHOCY-OEAKJJBVSA-N 400.544 5.106 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccccc1 104268344 WLKLVBQJQJTOHQ-SANMLTNESA-N 417.678 7.361 30 40 HKEB Cc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(Br)c1 408848967 XLNNGCGUDJOIDG-GRSHGNNSSA-N 412.125 5.464 30 40 HKEB COc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1O[C@@H](C)C(=O)O 409020217 MSEMNZNBQWEZGD-WBILBPDKSA-N 415.445 5.711 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 409087404 UBOGPGKDWXDNFC-QPGSGLTOSA-N 414.914 5.329 30 40 HKEB COc1cccc(/C=N/c2ccc(C(C)C)cc2)c1OCc1ccc(C(=O)O)cc1 409188281 YGJPYUZIJLFAQL-CVKSISIWSA-N 403.478 5.846 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C 409215518 AISAZQIRSDQCPH-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB O=C(O)c1ccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1 409248945 MDWBBKBFXRUZPJ-WGOQTCKBSA-N 416.864 6.372 30 40 HKEB N#Cc1cc2c(nc1SCC(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCCC2 2151009 CRUCNFUJQMQLLT-UHFFFAOYSA-N 410.542 5.768 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 2210682 YLSOOXYUYNXLHY-UHFFFAOYSA-N 403.898 5.147 30 40 HKEB O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 3206803 FKFPFOUCILIKNJ-BRJLIKDPSA-N 410.256 6.223 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1 5490617 RYSWMVHRWVFVHI-HSZRJFAPSA-N 415.489 5.490 30 40 HKEB FC(F)(F)c1ccccc1N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 5781244 KUMFZEJHSOBYCO-DHRITJCHSA-N 412.440 6.066 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C(=O)OC)cc2)C3=O)cc1 12859150 YFUNXLQUOQKTNK-OYKKKHCWSA-N 412.441 5.311 30 40 HKEB biogenic O=C(O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 17089873 GVEIWKXPTYLZIL-LPCFMYKTSA-N 414.486 5.189 30 40 HKEB CCn1c2ccccc2c2cc(NC(=O)CCc3c(C)nn(CCC#N)c3C)ccc21 32908819 HDIIOEMWZWYAHI-UHFFFAOYSA-N 413.525 5.113 30 40 HKEB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 33957379 PZMASCFNOYVBCT-INCSKIAMSA-N 406.957 6.377 30 40 HKEB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O 48056601 KJKIIUAXZGLUND-HZYUFNTJSA-N 412.658 6.756 30 40 HKEB CCCCCCCCCCCC[C@@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)OCC 97957595 USQBFMHVASTQGU-XMMPIXPASA-N 420.634 7.311 30 40 HKEB CCOc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 100242802 FDAGICPLBXHEHQ-VPBNWZFVSA-N 402.494 5.092 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(-c4ccccc4)cc3)cs1)C2 101579462 ZZCMYMJPBRHXIB-FRRVSZSTSA-N 401.579 7.091 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)cc1 104360296 GCBONNQPBAPEFU-QLYXXIJNSA-N 419.679 6.672 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916215 ISQVBKWANUTMNE-OQQPWJMPSA-N 408.582 5.661 30 40 HKEB biogenic O/N=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226339576 FWCFPHLXRXNFON-WSVATBPTSA-N 419.500 5.252 30 40 HKEB CCCCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408708668 KIDGZIMWXHTTSI-UHFFFAOYSA-N 406.876 5.554 30 40 HKEB N#Cc1c(/N=C\c2cccc(Oc3nc(Cl)ncc3F)c2)sc2c1CCCC2 409075727 ZQTIMTVQXLFKHY-VROXFSQNSA-N 412.877 5.624 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3cccc(Br)c3)o2)nc1 409097741 HCOWUYKBLDYTDZ-AUEPDCJTSA-N 410.193 5.569 30 40 HKEB CCCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC 409209064 FNOFKMHPBRUVGQ-YZSQISJMSA-N 409.913 7.070 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O 409236086 QVLNEGHKPKUVCV-FYJGNVAPSA-N 422.937 6.092 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 409331772 PAUJZAFUTWUJPE-UHFFFAOYSA-N 424.913 5.262 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\c1ccc(OC)cc1 2088074 NKDSTJGSFIDPOP-XDOYNYLZSA-N 415.356 5.715 30 40 HKEB CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCC2 3664969 KHSKZPANLFHTBL-OAHLLOKOSA-N 413.593 5.618 30 40 HKEB Cc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)c1 7496091 PERMNJFEANQOML-FNZWTVRRSA-N 405.501 5.760 30 40 HKEB CCCCCCCC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 8456268 UREFRCQOIVLSEI-ZMOGYAJESA-N 424.492 5.574 30 40 HKEB C/C(=N\n1cc(-c2ccccc2)nc1/N=C/c1cc(Cl)ccc1O)c1ccccc1 8643202 GVLMZELKBXLXBH-UJXSPMJHSA-N 414.896 5.932 30 40 HKEB CC(C)CCC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 9481933 PTGNCSDXWHVMII-AWEZNQCLSA-N 403.979 5.190 30 40 HKEB FC(F)Oc1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(OC(F)F)c1 12572900 ZSSCCGIPDGNCTO-YCPBAFNGSA-N 413.758 5.537 30 40 HKEB N#C[C@H](C(=O)CSc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1 12898227 MWVKFBLDVYEKFB-CYBMUJFWSA-N 419.358 6.085 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(C)cc1 20763197 ZXKZLSBWZOUYPW-WGOQTCKBSA-N 404.510 5.105 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)cc1)c1ccccc1 100034334 DKQFTLDLEBKKMC-VMLSEYSDSA-N 405.457 7.072 30 40 HKEB C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408555681 HDGSXDCTXSHZPX-LJQANCHMSA-N 410.322 5.345 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3F)S2)cc(C)c1Br 408760186 UBPDTMKAXHWBJV-DHDCSXOGSA-N 405.292 5.097 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 408815751 RZNNJKWMAPIIOJ-HAHDFKILSA-N 415.514 5.813 30 40 HKEB C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408855736 CVYMTQJQAYMLGD-FOOFIWMSSA-N 410.970 6.523 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)nc1 409065308 HNCOOBBNJHXTHB-AUEPDCJTSA-N 403.389 5.167 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 409090260 LUFDWPPPYIVSOO-PDIQUHFFSA-N 421.349 5.959 30 40 HKEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 409104688 DYVXBMMTJQNXMM-KKMKTNMSSA-N 415.415 5.442 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409216179 FXTDVQXQXXJQJL-MFKUBSTISA-N 408.885 5.507 30 40 HKEB CCc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 5551613 UUSJFFWPRJUYSK-SXGWCWSVSA-N 410.848 5.813 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 6446075 WFIMRMKSSXICDO-UBFVSLLYSA-N 419.459 5.110 30 40 HKEB CCOc1ccc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c(O)c1 6554291 MOSJTJSAMQOILX-AFUMVMLFSA-N 406.869 5.927 30 40 HKEB C=CCOc1c(Br)cc(CNC23CC4CC(CC(C4)C2)C3)cc1OC 8470067 RAJCCNDFFQLTFI-UHFFFAOYSA-N 406.364 5.081 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 10035273 HFYMINZIHCTHIH-OXQOHEQNSA-N 424.426 5.021 30 40 HKEB COc1ccccc1/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccncc1 15913449 RYYGCUHFWHSNMS-UCRJKCCMSA-N 414.534 5.352 30 40 HKEB O=C(NC1CCCCC1)c1c(/N=C/c2cccc3ccccc23)sc2c1CCCC2 16526177 NLGRIBCHQMYIMP-WPWMEQJKSA-N 416.590 6.593 30 40 HKEB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)nc(C(F)(F)F)c1 59530784 BBDYPPRKVDRVIK-UHFFFAOYSA-N 402.216 5.390 30 40 HKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 135987264 YGCORFPKOBBHQN-FTJNEJEMSA-N 416.502 5.512 30 40 HKEB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752636 PAEPMOXSHGUPGV-UHFFFAOYSA-N 403.309 5.714 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 408757279 XWIKLYZDQZFBPV-QNGOZBTKSA-N 402.475 5.379 30 40 HKEB CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1 408959560 AZHOVUCCHYYPNB-HNYZTYFESA-N 421.566 5.228 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)cc1 409187131 MMZDNVYFQHYPJD-OYKKKHCWSA-N 411.343 6.314 30 40 HKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 1924029 ULBYHEBLBKSAOQ-OPEKNORGSA-N 422.739 7.661 30 40 HKEB N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)c(Cl)c2)c1=O 3128326 DCZUCIBIURXILC-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)C1(Nc1ccccc1)c1ccccc1 3147043 XWOIJXYPUWADLO-UHFFFAOYSA-N 415.492 5.757 30 40 HKEB COc1ccccc1/N=C1\SCCCN1C(=O)c1ccccc1Cc1ccccc1 3437526 MUJUINPHVYYYHP-QPLCGJKRSA-N 416.546 5.553 30 40 HKEB Cc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O 4713970 LGLHSUNZFZUZIB-FSJBWODESA-N 407.267 6.022 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O 5047356 AAKQYVRHEUQOJK-UHFFFAOYSA-N 411.379 5.860 30 40 HKEB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 7072896 BXDAWKRHSKVBEA-AEFFLSMTSA-N 424.610 6.302 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 8165805 HLBMPAZGFPSSSW-HYARGMPZSA-N 417.534 5.303 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 20572612 PZMASCFNOYVBCT-VJGSLMQASA-N 406.957 6.377 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1 113833971 ZQTOPBHCVLKWNG-HYARGMPZSA-N 411.486 5.029 30 40 HKEB Clc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1 408858526 STNZVFLTHGZGGI-NDENLUEZSA-N 406.654 5.486 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 408907338 MDYWOESEKUMDIN-PHDVVCPESA-N 418.949 6.705 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408973479 SRNZLFIVAZEHOV-YZSQISJMSA-N 418.562 6.419 30 40 HKEB Sc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl 409056760 IEGFZIRZGXRDCX-ZVHZXABRSA-N 420.925 5.348 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2C)cc1 409221998 ASCKCEFYDKXZFT-ZXVVBBHZSA-N 400.522 6.537 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc(O)c1 409294250 ASHCNQUXMQNPKR-UHFFFAOYSA-N 415.836 5.051 30 40 HKEB FC(F)(F)CNc1cccc(OCCCC(F)(F)C(F)(F)C(F)(F)F)c1 1565673285 AIENVOIKTJMQHJ-UHFFFAOYSA-N 401.244 5.653 30 40 HKEB Oc1ccc(/N=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1 1952409 HRTBLDDGDRYBPA-WSDLNYQXSA-N 409.308 6.182 30 40 HKEB COc1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)cc1Cl 3082917 LFHKJUYKLKRFOJ-JFLMPSFJSA-N 412.876 7.061 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C/c4c5ccccc5cc5ccccc45)c3)nc12 3114289 VSCCIZIUGWFQCY-UXHLAJHPSA-N 412.492 7.860 30 40 HKEB CCC1C/C(=C\c2ccc(NC(C)=O)cc2)C(=O)/C(=C/c2ccc(NC(C)=O)cc2)C1 4482264 RVXPMLMYDJUHRK-QAOSGDJLSA-N 416.521 5.460 30 40 HKEB COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 5879836 MNAVICLDNOSQGO-IWIPYMOSSA-N 416.506 5.077 30 40 HKEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 9380618 OHKKZBWEDDIXQW-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB Brc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)cc1 9763699 AVAAFPXUXFMFJI-YDZHTSKRSA-N 421.298 5.350 30 40 HKEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)c(Cl)c2)cc1 12599991 XFSQPXVGHSTGBW-YYADALCUSA-N 406.272 5.472 30 40 HKEB C=CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15107133 UTALNSPICDNKLG-QGZVFWFLSA-N 405.475 5.152 30 40 HKEB CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820705 SLBANVMYYSFFOL-UHFFFAOYSA-N 401.539 5.389 30 40 HKEB C/C(=N/N1CCN(Cc2cccc3ccccc23)CC1)c1cccc(Br)c1 20065303 OHXBEBSLPFJJAM-BWAHOGKJSA-N 422.370 5.144 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc1Cl 36612593 MDHKJVXFXCDIDI-GIVPXCGWSA-N 416.945 5.480 30 40 HKEB CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 51366893 PMFKVTALUGFERM-IZNZCJHFSA-N 405.498 5.223 30 40 HKEB CCCCCCCc1ccc([C@H](O)CC(=O)c2cnc(-c3cccnc3)s2)cc1 100925235 GZXVFINLOBTKIO-OAQYLSRUSA-N 408.567 6.024 30 40 HKEB Clc1ccc(/N=C\c2cc(Br)c(I)o2)cc1 408850529 BKSVVCSEULKFKH-UUASQNMZSA-N 410.436 5.051 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3cccc(Cl)c3)cc2Br)cc1 408913059 KFQSTBMMIUWYNH-SRZZPIQSSA-N 406.732 6.906 30 40 HKEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(Cl)c2)C2=C1CCCC2=O 409032647 CTOYGLXTWRIPCX-UHFFFAOYSA-N 420.336 5.522 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 409120228 VXYYSSMDDXTUFD-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(O)c(Cl)c1 409281912 NKWWVGLTDHZZMM-UHFFFAOYSA-N 415.836 5.051 30 40 HKEB COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)O)o1 409384989 HAWQALXEWRODPH-QFEZKATASA-N 407.466 5.614 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 1440238 SZHDJIIWZSYFIW-PKAUSPCKSA-N 412.489 5.071 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2110192 MNGYOFNIAOWXIT-DNRBGDKYSA-N 424.537 5.512 30 40 HKEB biogenic,in-vitro COC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)CCCCC1 4216868 AGGYYWICUTUTCC-NMTVEPIMSA-N 400.603 6.066 30 40 HKEB biogenic,in-man CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1OC 5335976 CTAKFBQHIPNSCR-VXLYETTFSA-N 413.109 5.370 30 40 HKEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C1CCCC1 6418802 ABHAJLBKUJLYKN-WPWMEQJKSA-N 410.521 5.479 30 40 HKEB CCCCCCCCCCCCCCCC(=O)Nc1nc2c(C)cccc2s1 8453317 CZSDUJFIZYOGST-UHFFFAOYSA-N 402.648 8.025 30 40 HKEB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1Cl 9363772 AWNVJFQYJKAURB-SDNWHVSQSA-N 418.323 7.413 30 40 HKEB COc1ccc(Br)cc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O 13779152 ZSQONFGFINAUHV-JAIQZWGSSA-N 415.283 5.419 30 40 HKEB CCN(CC)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 59104609 MSIFOELFBJZFOC-PCLIKHOPSA-N 424.386 6.453 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 59459249 AKCRBTXEFBTQKM-RPPGKUMJSA-N 405.803 6.394 30 40 HKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 59484221 WEAWXEDQXPYQTH-AFUMVMLFSA-N 407.901 6.716 30 40 HKEB Clc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(Cl)c4)cccc23)c1 100003582 WAIOBBWNKLXGRZ-DPCVLPDWSA-N 403.312 7.648 30 40 HKEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1 101650622 TWLDGXKDIHSAKI-TWMRLEJJSA-N 409.555 5.017 30 40 HKEB C/C(=N/CC/N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1 104207970 FKIWUOQSVDWWAC-JZTLMNBPSA-N 422.164 5.530 30 40 HKEB C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 107908952 VRALUPCRTOYPKY-UHFFFAOYSA-N 424.526 5.367 30 40 HKEB Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223596673 RYDCDMDCNLXYMG-SDPDQUOZSA-N 408.615 5.816 30 40 HKEB C=CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O 408903528 ZDLQERNXSQPSMO-RCCKNPSSSA-N 403.528 5.810 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 864785 MHEXTEFLVANKRO-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB N#Cc1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1-c1cccs1)CCCC2 1026200 CUNXDDGFBBGEBA-UHFFFAOYSA-N 423.538 5.430 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(=O)oc4ccccc34)c2C#N)C1 2325705 FFOZKYJDXVCYSW-AWEZNQCLSA-N 420.534 5.520 30 40 HKEB C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2350286 HDWRBDCVHASDIS-UHFFFAOYSA-N 424.635 6.472 30 40 HKEB C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714535 CYQAPVJYGCYSPU-UHFFFAOYSA-N 405.299 5.448 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C#N)C1 2766880 JNQSIZGRAFFOAE-OAHLLOKOSA-N 420.534 5.520 30 40 HKEB C#CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 4092104 UCSGSHCYVJXBLB-FYJGNVAPSA-N 420.921 5.321 30 40 HKEB C=CCSC1=N[C@@]2(C[C@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)CC(C)(C)N1 4160196 OYESSJDMWWZZCH-HOYKHHGWSA-N 424.566 5.064 30 40 HKEB COc1ccc2cc(/C(C)=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c1 5864730 NUAOEYGGAVXILY-WYMPLXKRSA-N 403.360 5.612 30 40 HKEB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1 7141091 XKPMJSJCPZPYHJ-UHFFFAOYSA-N 401.487 5.366 30 40 HKEB CNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O 8397995 QWIZQLJVJHRAKI-XVNBXDOJSA-N 413.098 5.054 30 40 HKEB CCCCCCCCCCCCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8452339 LOXXGABOQAJBEP-UHFFFAOYSA-N 413.606 6.124 30 40 HKEB Cc1c(OC(=O)c2cccs2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422608 SDWLPCXNPJQKKD-UDWIEESQSA-N 415.470 5.384 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1Cl 17088138 NJVFXPGEWYCVFB-CSKARUKUSA-N 408.910 5.982 30 40 HKEB COc1ccc(CN/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 20195867 PIXJKBYDSCMVNL-WYMPLXKRSA-N 405.281 5.394 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NCc1cccnc1 33324457 MEEMABZWEFBXJU-UHFFFAOYSA-N 406.829 5.046 30 40 HKEB CO[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932600 YLJFYUPNPBFGPI-DPBVIQQRSA-N 414.674 7.222 30 40 HKEB Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 215723004 NKQNLGBYMQUMCC-OXVLKEGXSA-N 423.969 6.222 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757708 GVNUUKXMHZAGTE-UHFFFAOYSA-N 421.497 5.486 30 40 HKEB CCCCCCCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 408587588 SFINCMZNVGCSGO-UHFFFAOYSA-N 404.348 6.441 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c2ccccc12 408909056 BUQTZPMWKQHQBA-OQNHBUHUSA-N 416.546 6.035 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1 409370894 VGZJSBYIPLPREO-QRQIAZFYSA-N 424.500 5.716 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4sc(C)nc4c3)nc2c1 917503 DNKNIAMGKSTHMB-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB COc1ccc(-c2nc(SCC(=O)c3cccs3)c(C#N)c3c2CCCC3)cc1 1070308 GPLCFYCZCQEJNI-UHFFFAOYSA-N 420.559 5.544 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3)n2)cc1 2072522 JMWDMTMILOUZEC-UHFFFAOYSA-N 408.526 6.588 30 40 HKEB C=CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 3432892 SEODXEOBWGTUMI-UHFFFAOYSA-N 412.580 5.327 30 40 HKEB C=CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(NC(C)=O)cc1 9354829 VLKKJRYAGFBBEU-UHFFFAOYSA-O 419.357 5.897 30 40 HKEB Oc1oc(-c2ccco2)nc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 16492699 UIFKBCXNBIQAFR-MFKUBSTISA-N 423.432 5.210 30 40 HKEB O=C(N[C@H](/N=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16952563 AKQQYZOQDLATEW-SPEMGEGKSA-N 417.723 6.195 30 40 HKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H](Sc1ccccc1)c1ccccc1 32905217 JQSVKPQPUYPSMR-SANMLTNESA-N 420.537 5.954 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc(OC)cc2)cc1 59464303 GUWRHALVHRUEBI-CVKSISIWSA-N 418.493 6.384 30 40 HKEB CCCCCCCCCCCC(=O)OC(CN1CCCCC1)CN1CCCCC1 97951049 MCWGCPKVHBAGSK-UHFFFAOYSA-N 408.671 5.791 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 100870600 PZMASCFNOYVBCT-YGUNLJQTSA-N 406.957 6.377 30 40 HKEB COc1ccc(F)cc1C1=CSC(=C2C=CC(=NC(=O)c3cccs3)C=C2)N1 101050844 YRPYRDRYVDJQOZ-UHFFFAOYSA-N 410.495 5.150 30 40 HKEB CN1/C(=C/C=N/c2ccc(I)cc2)C(C)(C)c2ccccc21 103444855 GRYFTEDLRJINBW-XLECEWEHSA-N 402.279 5.305 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCCCCSC(=N)N 104377349 ZBIZDQHTOGDGEL-UHFFFAOYSA-N 412.772 9.215 30 40 HKEB C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118931035 VZIGRTXYYCCTRR-UDUNJJFBSA-N 400.691 7.635 30 40 HKEB Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2)cc1 408532240 SXFPYNUUWGHDIK-JCMHNJIXSA-N 400.503 5.466 30 40 HKEB N#Cc1ccccc1Cn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 408594091 SCSXKSHFWZKTIZ-VULFUBBASA-N 410.433 5.020 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 408763893 PQLBXVSTRLOTGU-HAHDFKILSA-N 415.562 5.857 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 408910010 VPYITMYMEOSOHS-ADIFGEIESA-N 402.494 6.191 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OCC 408913856 RVQRYLSZQFLEBV-FTJNEJEMSA-N 424.566 5.670 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408939624 NDIXPJAWPROJAV-IUYRTAIISA-N 418.540 6.584 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl 409063950 OCWCOVGEYPWTJG-SRZZPIQSSA-N 413.821 5.010 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(O)c(Br)c1 409202827 STDGJYWXWKHODW-CNHKJKLMSA-N 403.501 5.630 30 40 HKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1 1248593 UDXFRLMNOGELRN-NFQMXDRXSA-N 410.517 5.983 30 40 HKEB COCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N\c1ccccc1 4648579 CIURMPBTCGJDHB-WOQKIPMBSA-N 407.322 5.244 30 40 HKEB CC[C@@](C)(C#CCN1CCCCC1)OCCOC(c1ccccc1)c1ccccc1 4667614 CIUJTBNFLNUMLJ-MHZLTWQESA-N 405.582 5.467 30 40 HKEB C=CCN(CC=C)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C)oc12 5182790 RGCPHYDNEBXZFZ-UHFFFAOYSA-N 405.494 5.390 30 40 HKEB CN1/C(=C/c2ccc(C#N)c3sc(-c4ccccc4)c(O)[n+]23)Sc2ccccc21 12249836 BUIJDKQQMYNYLI-UHFFFAOYSA-O 414.535 5.272 30 40 HKEB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)S/C(=N/c2ccccc2)N1c1ccccc1 15774296 AKWQBVINTNKAKX-XATRHVNRSA-N 417.446 5.109 30 40 HKEB CSc1nc(N[C@@H](C)c2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820478 ZKTLIWJLWFNPLD-INIZCTEOSA-N 402.567 6.208 30 40 HKEB CSc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984116 MDLRCXWCYHMDCV-UHFFFAOYSA-N 407.516 5.058 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCc1ccc2c(c1)OCO2 98044616 BMNFLJHHFCAYFY-UHFFFAOYSA-N 417.634 7.293 30 40 HKEB biogenic CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 101510724 BCURXPBCRVGFAN-HDYLNDSGSA-N 416.646 7.824 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1 102927313 YDIXPKOBVHMNDE-JBCNATCCSA-N 418.518 5.201 30 40 HKEB COc1c(Cl)cccc1/N=C\c1ccc(/C=N/c2cccc(Cl)c2OC)cc1 104192148 MCJVDSHAUWRUKO-KGRJIBJCSA-N 413.304 6.512 30 40 HKEB COC1(O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)CCCCC1 118926386 AGGYYWICUTUTCC-IQPSTHDDSA-N 400.603 6.066 30 40 HKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl 408558231 QMXKCBXKLCHCRT-UHFFFAOYSA-N 419.533 6.033 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)SC1=S 408820129 UDBRHLNTWAUYCP-YBEGLDIGSA-N 423.390 5.788 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408874575 CARUVMPXQKJAAM-OQDSOZAYSA-N 418.606 6.993 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 408910056 IXMYGHQFKMTZCN-YZSQISJMSA-N 410.477 6.115 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 409200834 JZXBJHGMDVZBBK-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Oc1ccc2ccccc2c1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1Cl 2304557 FIFCMKLROGAORN-YVNNLAQVSA-N 415.305 5.282 30 40 HKEB C=CCN(C(=O)c1ccccc1Cc1ccccc1)c1nc(-c2ccccc2)cs1 3422785 KSPNEDPXVZCGLZ-UHFFFAOYSA-N 410.542 6.234 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 4357279 MDKDUUFNHRDKGT-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 15018913 NXDWTEGJYPIBNC-UHFFFAOYSA-N 424.913 5.262 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C#N)C1 17090389 LASOLPADWAXNIM-ZDUSSCGKSA-N 415.559 5.037 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC(F)F)cc3)c12 23956840 NFXGLGMNJSMXQJ-JLHYYAGUSA-N 407.420 5.281 30 40 HKEB Cc1ccc(-c2ccc(-c3c(C#N)c(=O)n4c(sc5ccccc54)c3C#N)o2)cc1 96306134 UUGDXMPBGRZGKL-UHFFFAOYSA-N 407.454 5.493 30 40 HKEB CCc1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1 98086895 MANRYGXACCZYQD-ZVHZXABRSA-N 405.295 6.570 30 40 HKEB CCCCCCCCCCCCn1cc[n+](CCCCCCCCCCCC)c1C 100070395 YWZLPNTUINRPGX-UHFFFAOYSA-N 419.762 8.926 30 40 HKEB CCCCCCCCOc1ccc(/C=N/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1 100855547 YNVONKQEARSDBH-QCCZVWFUSA-N 421.581 6.900 30 40 HKEB C=CCn1/c(=N/C(=O)c2cccc(OCCCCC)c2)sc2cc(Cl)ccc21 100874292 VZWFTHJVGQGSNT-GYHWCHFESA-N 414.958 5.852 30 40 HKEB CCCCCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 102878772 VSQRIUSJOXNQLX-UHFFFAOYSA-N 406.526 5.547 30 40 HKEB CCCCCCCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 112189589 FTKVFBDYSOIVMX-UHFFFAOYSA-N 400.799 6.066 30 40 HKEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408867312 LMBNERUAFIZZOZ-WQRHYEAKSA-N 418.301 5.242 30 40 HKEB Cc1ccc2[nH]c(C)c(/C=N\Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)c2c1 409050385 VFFIEGFYWADWCG-RROVHIOVSA-N 403.301 5.806 30 40 HKEB CCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 409176082 GUDQQAYUTLPMKB-UHFFFAOYSA-N 411.542 6.245 30 40 HKEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2OC)cc1 409227850 RZJNOKOWYHUUQL-NLRVBDNBSA-N 418.493 5.083 30 40 HKEB C/C=C1/C[N@+]2(Cc3ccc(C#N)cc3)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 524729445 UJSVESXDXMVSOV-IFEAEETHSA-O 408.525 5.093 30 40 HKEB biogenic COc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242725 GHIDUTHFYBCITD-UHFFFAOYSA-N 404.228 5.499 30 40 HKEB C=C(C)[C@H]1C[C@H](c2ccc(C)c(C)c2)[C@H](C)O[C@@H]1c1cccc(F)c1OCC(=O)O 2037875311 OKCKLSOCZACWOF-IYZVWZADSA-N 412.501 5.732 30 40 HKEB CCN(CC)c1ccc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c(O)c1 1807107 YXSOZFBGUFBEND-WGOQTCKBSA-N 421.928 5.895 30 40 HKEB C=CCn1c(SCC(=O)c2c[nH]c3c(CC)cccc23)nnc1-c1occc1C 2617780 WGBQXHVMFNNZJF-UHFFFAOYSA-N 406.511 5.051 30 40 HKEB CC[C@@H](C)/N=C1/Sc2nc3cc(C)ccc3cc2CN1Cc1ccc2c(c1)OCO2 4858987 VNCBEEIQQWUFQU-DPQBTTMVSA-N 419.550 5.534 30 40 HKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2cccc(Cl)c2Cl)NC1=O 5376520 AAEVFNUDGUTZSI-WJDWOHSUSA-N 405.306 5.450 30 40 HKEB N#C/N=C(/S/C=C/C(=O)c1cccc(Br)c1)SCc1ccccc1 8648639 QGCHYZCKOINYFZ-XRGXWCBOSA-N 417.353 5.649 30 40 HKEB N#C[C@H](c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8665032 QPWWAOMXYPIDOY-GFCCVEGCSA-N 415.724 5.976 30 40 HKEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)c(Cl)c1 8790693 HDLQJIFKISCWCX-ZVBGSRNCSA-N 423.325 5.026 30 40 HKEB O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Br)cc1 16401309 WQBCPUZWVPHWFA-SDNWHVSQSA-N 423.266 5.480 30 40 HKEB CC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1 18036580 UPENVYVGYCEWNG-XTCLZLMSSA-N 403.869 5.542 30 40 HKEB COc1ccccc1CN/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 20763454 AEMDDDKPNRSRSK-STBIYBPSSA-N 414.480 5.690 30 40 HKEB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(C#N)cc1 31433719 URKBFDGWRZBGLL-IBGZPJMESA-N 421.500 5.690 30 40 HKEB CCOC(=O)C1=C(/C=C\c2cccc(Cl)c2)O/C(=C\c2cccc(Cl)c2)C1=O 31771732 FZNYZWGMQWRQNO-ZGKGUONDSA-N 415.272 5.464 30 40 HKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 89453856 WHFWVQIFQJYEQK-VZUCSPMQSA-N 420.377 5.200 30 40 HKEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1ccc(F)cc1 223679950 LDRQCXRIUYLPAF-UHFFFAOYSA-N 400.482 5.106 30 40 HKEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224942497 HCQNUEHKYCOBDS-UHFFFAOYSA-N 418.345 6.042 30 40 HKEB CC(C)(C)[C@@H]1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 245283690 OFJFTPGESUQDSD-MZZMTWHPSA-N 420.465 5.995 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 408591240 JCXRKIKRBBOIMA-RGVLZGJSSA-N 404.900 6.012 30 40 HKEB COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccccc2)cc1 408723333 TZVKFOGNSHBCOQ-MFKUBSTISA-N 404.922 6.890 30 40 HKEB Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408774715 QENPEWGDFKAXRL-FOKLQQMPSA-N 422.153 6.914 30 40 HKEB CCOc1cc(/C=N/c2cc(C)nn2-c2ccccc2)c#cc1OCc1cccc(C)c1 409025945 BFAQLAJFKJLYPH-MTDXEUNCSA-N 423.516 5.818 30 40 HKEB CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 729499 HJGXXOOEOVECKM-AFMDSPMNSA-N 414.574 6.851 30 40 HKEB CC(C)c1ccc(S(=O)(=O)ON=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 2066718 KCNLIPMOPSONRT-UHFFFAOYSA-N 417.571 5.399 30 40 HKEB COc1cc(OC)c(OC)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 3240716 BBIDQFXBNWGGMB-VULFUBBASA-N 422.447 5.472 30 40 HKEB C=CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 5200323 DOFJEHVXUDMMPE-AZGAKELHSA-N 412.489 5.502 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(F)cc1 5376997 ZGTDCERTYWXVPS-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCC 8221071 CPGCVOVWHCWVTP-LJAQVGFWSA-N 424.798 10.530 30 40 HKEB endogenous,in-man Cn1cc(/C=C2/Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 9423868 OJANZNVABBGMPQ-WYMPLXKRSA-N 415.876 6.027 30 40 HKEB C[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(F)cc1)N1CCCCC1 11416315 DLRIWRZCBPAKLP-KRWDZBQOSA-N 421.545 5.117 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2C1=O 13758302 JTQQBVQRXRYDDH-STZFKDTASA-N 418.514 6.189 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(CN2CCCC2)cs1 14158143 OJOSOTKRJWYANW-UHFFFAOYSA-N 420.563 5.014 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C/c1cc3ccccc3o1)C2=O 20646517 DDALFVGDOGDAGQ-LFVJCYFKSA-N 419.521 6.157 30 40 HKEB C=CCN(C(=O)c1cccnc1OC)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 24843098 MIRQHTYZSPNVGA-UHFFFAOYSA-N 420.321 5.353 30 40 HKEB CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 58826874 PBYLLTJINDCVCB-QRQIAZFYSA-N 416.590 6.431 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1c(C(F)(F)F)nc2ccccc21 97940052 GXJBDFOYKQKJLZ-UHFFFAOYSA-N 402.191 5.620 30 40 HKEB CCn1c2ccccc2c2cc(C=NN(Cc3ccccc3)c3ccccc3)ccc21 256599662 RPHJRJPXKZMFFQ-UHFFFAOYSA-N 403.529 6.855 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 408721850 ANGQGFUHCPBRJJ-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB Cc1ccc2c(c1)c(/C=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c(C)n2C 409031720 KMNQSGXELFRLDU-FEDGQQDLSA-N 417.328 5.816 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(Br)c1 409082641 SEMZOZXLUFKOBC-AFUMVMLFSA-N 410.355 6.373 30 40 HKEB C=CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409112317 FVSWMPYEHFEQFB-UHFFFAOYSA-N 415.533 6.783 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 409203270 WVFJKDJMCCKGBU-MFKUBSTISA-N 424.338 6.486 30 40 HKEB COc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC)c3OC)cc2)c1OC 1445234 ZWQPVJRPYOLSNF-RYQLWAFASA-N 404.466 5.222 30 40 HKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 1457502 VVKGJJQYQJVWQD-NSYGIPOTSA-N 416.908 6.025 30 40 HKEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1 2155753 OUKLOJJJVJVEJQ-OYKKKHCWSA-N 414.457 5.654 30 40 HKEB biogenic CC(C)Oc1ccccc1[C@@H]1NC(=O)NC(c2ccccc2)=C1C(=O)c1ccccc1 2752635 TTWWOIFMELTSQP-DEOSSOPVSA-N 412.489 5.122 30 40 HKEB Fc1ccccc1-c1nc(N/N=C/c2ccc(Cl)cc2Cl)c2ccccc2n1 5024597 LIPJHOCMIFMYDN-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(OC(F)F)cc1OC(F)F 6047925 ZQTJFBBKVVAQRC-QHHAFSJGSA-N 409.162 6.092 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1c(Cl)cccc1Cl)Nc1cc3ccccc3cc12 8400141 PSDIDSSAUYEDDN-DEOSSOPVSA-N 422.355 7.456 30 40 HKEB CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O)c1ccccc1 9209928 AUMSBCAQVNPNQV-QFXXMJIKSA-N 420.486 5.356 30 40 HKEB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 10119011 XPHYONLJUAPZKE-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB N#Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c(Cl)c1 12808294 FONUJOJVZNCDKE-UHFFFAOYSA-N 404.882 5.559 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O 13539684 OEZWBUIZTOXEDM-UOKWBDCBSA-N 414.432 5.728 30 40 HKEB O=[N+]([O-])c1ccc(/C=C(Cl)/C=C2\SC(O)=N\C2=N/c2ccc(O)cc2)cc1 36633751 BMTWNNCFWYVLPP-MNXDUIDKSA-N 401.831 5.155 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C 59194500 RLEWMGZJWRGYRL-ZVHZXABRSA-N 417.490 5.279 30 40 HKEB CCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCCCC)OCCCC 100301963 MLZFYRJHSLXFLK-NRFANRHFSA-N 420.571 7.275 30 40 HKEB Clc1ccc(/N=C\c2ccc(/C=N/c3ccc(Cl)c(Cl)c3)cc2)cc1Cl 101437539 LDOOKAXZJXPUPG-UIXGLJBASA-N 422.142 7.801 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 408869876 SHHVGNYIKKPRRS-WQRHYEAKSA-N 400.931 5.538 30 40 HKEB CC/N=C1/S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1CC 408929497 KFBGKFNQUBIFTB-FYCBZXFJSA-N 423.969 5.655 30 40 HKEB C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl 409047029 MCALQEBIVAFBAX-UHFFFAOYSA-N 419.304 5.686 30 40 HKEB CCCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccc(Cl)cc1 409076260 ACYDYLXKSPMHEX-VLYZUMCXSA-N 406.938 6.507 30 40 HKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)c1 409212802 QPFDPKUSPRUINY-STBIYBPSSA-N 422.528 6.533 30 40 HKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 409213235 RUVOJMQWGZQLKO-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1 1077083 PFEPNBKIRPUXAR-QYBDOPJKSA-N 414.936 6.628 30 40 HKEB C=CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1ccc(Cl)cc1 1878929 DKCXHKYNXTWKKG-UHFFFAOYSA-O 406.756 6.048 30 40 HKEB CCCCOc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 2751247 JSQCQQKTNDBOPH-UHFFFAOYSA-N 409.449 5.135 30 40 HKEB CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2772414 CHQNTAMVGGXQIR-QFIPXVFZSA-N 420.553 5.341 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1 3114267 NDJYGBLPWSVHLW-SSDVNMTOSA-N 404.850 5.278 30 40 HKEB CCCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9197490 OQIPCCBANGOXSA-FOKLQQMPSA-N 415.748 5.958 30 40 HKEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 9481873 KNLRFWTXBXOGPU-CRICUBBOSA-N 418.899 6.459 30 40 HKEB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)NC1(C#N)CCCCC1 9491382 AVTOUMHKYGJORI-OAHLLOKOSA-N 422.579 5.182 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)c2cccs2)S/C1=N\c1cccc2ccccc12 16758331 WVZAXRVHZJYWSM-UXDFZSADSA-N 406.532 5.292 30 40 HKEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 18197319 ZWFIJMCBLKBUTP-ZMZPIMSZSA-N 417.321 5.062 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\C=C\c1ccccc1OC)C2=O 20625316 BUZNTOQKTMSDAY-WAJIAWJWSA-N 407.510 5.195 30 40 HKEB CC1[C@@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@H]12 33928955 SOTMWCFQLUSXKP-UCCJWERRSA-N 415.503 6.062 30 40 HKEB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](c2ccc(F)cc2)C1(C#N)C#N 34367319 OQDJRLNLVPDQLH-VABKMULXSA-N 413.496 5.151 30 40 HKEB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(Oc2ncccc2C#N)cc1 49547468 XAKIOQSHGHDFRD-LJQANCHMSA-N 419.510 5.121 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)(C)O 71789732 KJKIIUAXZGLUND-HIGRIZEMSA-N 412.658 6.756 30 40 HKEB CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103525190 MFDMEVLMRWENCY-UHFFFAOYSA-N 412.136 6.161 30 40 HKEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1 225751762 TYKWKZZRWSLAGS-MRXNPFEDSA-N 400.544 5.096 30 40 HKEB C=CCOc1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225868546 LFRJZKAEBQIEIK-UHFFFAOYSA-N 420.500 6.026 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cc(Cl)ccc3C)c3ccccc32)c1 408543198 NJVXSKBYGOXJCD-MZJWZYIUSA-N 416.908 6.189 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 408708418 ZNOJPUGUFBCQRK-UHFFFAOYSA-N 401.378 5.969 30 40 HKEB COc1cc(/C=N/Nc2ccc3ccccc3n2)ccc1OCc1ccc(F)cc1 408743180 VCCJPJLWOCUUDN-CVKSISIWSA-N 401.441 5.408 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(OCC)c1O 408905787 DWEWTQLZAJILAL-LPCFMYKTSA-N 422.550 5.532 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C(=O)O)cc1 409075272 YGBBJRGFZBFZKF-LEKPOWKWSA-N 421.305 5.316 30 40 HKEB Cc1ccccc1OCCCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 409147640 VPNOZZZRPJAICY-UHFFFAOYSA-N 421.496 5.881 30 40 HKEB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 409231795 KSVBFHWFEUUNLH-YKXMXDARSA-N 416.550 5.503 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c[nH]c2ccccc12 409310389 ULWQBZAYZJPPOK-ZDUSSCGKSA-N 423.314 5.036 30 40 HKEB N#Cc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1 2895158 YXCRGEWNYCQQRK-YMQWWVFYSA-N 424.507 6.522 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)N=C2O)c1OC 6848490 WNYBLRRPXXIZRB-ZROIWOOFSA-N 409.294 5.743 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 9264516 OEWZBPALHCAHJV-UDWIEESQSA-N 419.893 5.239 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 9379949 LTZUAHOVGZYDKS-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB CC(/C=C1\SC(=S)N(/N=C/C(C)=C/c2ccccc2)C1=O)=C\c1ccccc1 12032595 PHRKHKJYERALAP-DBVSYKBRSA-N 404.560 5.923 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O 38179858 QIQKQPDYZOCWMO-FSJBWODESA-N 409.829 5.265 30 40 HKEB Cc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Br 59302641 LDBOFZXONCWREI-VXLYETTFSA-N 412.125 5.464 30 40 HKEB Brc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 59461344 QVDRFBOPVVEHGC-XKOORFEASA-N 401.285 5.639 30 40 HKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 100437048 FLHVPPZLQKSDTD-MKIITAJQSA-N 401.535 6.105 30 40 HKEB CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(OC)cc1 101007960 ROFQZXOTPNHKQU-ZBJSNUHESA-N 402.619 7.733 30 40 HKEB N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)oc(-c2ccco2)c1-c1ccco1 111916115 DIEDFCWEGZJSFW-FOKLQQMPSA-N 407.769 5.983 30 40 HKEB C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccc(C)cc1 408913816 NYOPGAINXGDNAD-UHFFFAOYSA-N 424.496 5.774 30 40 HKEB Cc1cccc(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)c1 408981276 VOMCRJYAMRNQNB-UHFFFAOYSA-N 405.501 6.065 30 40 HKEB N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409093978 CBUDSBCHHWKNEB-JAIQZWGSSA-N 420.390 5.649 30 40 HKEB CSc1ccccc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409382697 PNALZPVNAPOINE-MFKUBSTISA-N 404.535 5.793 30 40 HKEB Fc1c(F)c(F)c(SCSc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 1615199071 FKPZITJMCZVMAK-UHFFFAOYSA-N 412.273 5.920 30 40 HKEB Cc1cccc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)c(C#N)c2C)c1C 871272 ZYRUCONABZZOEL-UHFFFAOYSA-N 407.470 5.189 30 40 HKEB Cc1ccc2oc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3O)nc2c1 3084370 RYAIBJVNQUAOQU-FSJBWODESA-N 407.267 6.022 30 40 HKEB CCOc1nc2c(c(-c3ccco3)c1C#N)CCc1nc3ccc4ccccc4c3cc1-2 4708795 IOTHOIVTFBZZFP-UHFFFAOYSA-N 417.468 6.079 30 40 HKEB CCOc1cc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1O 5475137 RFRVLQACYJMNDI-PCLIKHOPSA-N 415.518 6.027 30 40 HKEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(F)cc4)o3)o2)cc1 8654649 JCIBHPGVPZOZEH-UHFFFAOYSA-N 419.412 5.145 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 26963361 BSIICXHGXSNQIU-UKWGHVSLSA-N 421.196 5.516 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c([N+](=O)[O-])c1 59302800 LMKLJFIGZFISLB-FOKLQQMPSA-N 411.845 5.413 30 40 HKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 59459521 NFBSVBREXPZABQ-WOJGMQOQSA-N 402.277 5.179 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 97940028 ZWWFJNXPQZXJPO-IBGZPJMESA-N 410.558 5.429 30 40 HKEB CCCCCCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1 102755265 QUNLWPZFVAWEDT-XMMPIXPASA-N 407.554 6.577 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CCC[C@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 103971781 ROGGJWDJRVWFJL-ZNNBMHGMSA-N 416.690 6.990 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 408742207 NZEHDPGQADMXMO-FYJGNVAPSA-N 413.860 5.772 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)cc1 408769228 POGPGJWRTMPSAS-CVKSISIWSA-N 418.493 5.116 30 40 HKEB Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(O)cc1 408910855 LNNYCHUDDBFWCK-UXHLAJHPSA-N 424.588 7.018 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 408937784 OTLVXDXFNIVNHY-RLIDRAASSA-N 408.501 6.301 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409211124 KWOXLWKVJVGDKT-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CCc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 715862 JINIDDDOAQNURJ-UHFFFAOYSA-N 417.534 5.385 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1Br 865551 MMRXPADXJOMOBJ-FSJBWODESA-N 423.266 5.722 30 40 HKEB CN(C)c1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 2049082 JRZODULEQIWSLY-NTCAYCPXSA-N 423.603 5.690 30 40 HKEB CCOCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N\c1ccccc1 4543603 BDYFSJMEIVIFDE-AIQBXGKYSA-N 418.518 5.587 30 40 HKEB Cc1c(/N=C/c2c(-c3ccccc3)cc3ccccn23)c(=O)n(-c2ccccc2)n1C 5360483 ZAKNEBBPVQEOPX-OVVQPSECSA-N 406.489 5.155 30 40 HKEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3c2)n(Cc2ccco2)c1C 9583396 QWEXRIDQAAKHSX-UHFFFAOYSA-N 415.518 5.502 30 40 HKEB O=C(/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 12569723 HXJNRDDKDWHQRN-NHFJDJAPSA-N 414.814 5.966 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c1OC 12860476 HCQNSGOFTMCVIQ-QRVIBDJDSA-N 402.446 5.207 30 40 HKEB biogenic O=C1/C(=C/c2c(O)ccc3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 59503515 WNICFJXQORVBCG-HXNPFYCNSA-N 422.509 6.354 30 40 HKEB Cc1cc(Br)ccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 100116492 SMSNZWBQBCODHW-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB CCCCCCCCCCCCCCCCCCNc1cc(C)nc2ccc(C)cc12 104178930 PMAXDLKCKATPSM-UHFFFAOYSA-N 424.717 9.525 30 40 HKEB O=C1N(c2ccccc2)C(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 104234485 ANNODTFQNIALEM-RZEXXKRKSA-N 416.484 6.594 30 40 HKEB C=CCOc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)cc1OC 208867595 WSHYFAXUIOMRJH-BOPFTXTBSA-N 403.297 5.352 30 40 HKEB CCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 408722328 HGMSRLAYYJGXDX-YZSQISJMSA-N 414.530 6.635 30 40 HKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O 409034408 HAYMSPDFMPWAJK-UHFFFAOYSA-N 407.554 5.488 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2C)cc1 409103429 WNQIOQDHDQOXIZ-OVVQPSECSA-N 416.521 6.155 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 409214512 VOGCTHXFYOYFRN-ZMOGYAJESA-N 424.294 5.785 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCC 409340088 QGFRPMQNCXJAIW-UYRXBGFRSA-N 415.511 5.195 30 40 HKEB CC/C(=N/N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1 8614504 HESJEUSORFTBEI-SVJWQLCWSA-N 422.164 6.225 30 40 HKEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1C(F)(F)F)CCCC2 8990619 YILFJLSTCZKZJY-UHFFFAOYSA-N 417.283 6.450 30 40 HKEB COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccccc2F)cc1OC 9359488 KOZIJMUPIIUHLB-JXMROGBWSA-N 424.399 5.097 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(Cl)cc2Cl)cc1 12463280 YQXKGUJOMJIAFQ-JJFYIABZSA-N 405.354 6.094 30 40 HKEB Cc1ccc(/N=C/c2c(Oc3ccc(C(F)(F)F)cc3)n(C)c3ccccc23)cc1C 100265820 POSWRWXEVPGFGD-WKULSOCRSA-N 422.450 7.357 30 40 HKEB CC[C@@H]1CS/C(=N\CCc2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl 102887174 FBZCYYWMUUGVCJ-GOTYSUTNSA-N 423.409 5.928 30 40 HKEB CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408912675 LKCUTCFOOJRBOI-QQXSKIMKSA-N 418.562 6.417 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccccc2C)cc1Br 409113904 GGEYHNSAZKPCBY-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 1077344 GQODKKWWEBSTNK-CJAUYULYSA-N 400.547 6.290 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)[C@H]3CC[C@@]21C 4061013 OZJGJSHDHAGQJH-UUQQXYDHSA-N 400.647 6.568 30 40 HKEB biogenic CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4084185 XWPFMVUGKIJWQK-SINGNXGNSA-N 414.630 6.647 30 40 HKEB biogenic Cc1ccc2[nH]c3nc(N/N=C/c4ccc(-c5ccccc5Cl)o4)nnc3c2c1 4592687 KAALODAQCOISRY-FOKLQQMPSA-N 402.845 5.174 30 40 HKEB N#Cc1c(Cl)nc(N/N=C/c2ccc(Br)cc2)c(Cl)c1Cl 4705096 UZPOPDRNJBNUPP-KPSZGOFPSA-N 404.482 5.122 30 40 HKEB COc1ccccc1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 5052389 CTIKJEGHAWYEMW-ZEYPLWLESA-N 416.583 5.708 30 40 HKEB Cc1ccc(-c2nnc(S)n2/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 5417057 LSEREKLYMMZFRB-AFUMVMLFSA-N 422.598 5.725 30 40 HKEB CCCCOc1ccc(N/C(S)=N/c2ccc(OCCN(CC)CC)cc2)cc1 5838133 JMBLXEDAGHZWKU-UHFFFAOYSA-N 415.603 5.616 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1Cl 6449762 OUNASTKFWOUWGI-GMFGMJKXSA-N 406.338 5.756 30 40 HKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc(C)cc1 8317358 GQLCKWJTIADCAT-UHFFFAOYSA-N 407.583 6.076 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2ccccc21 9423514 MYFXDUDJICWIAZ-ZVHZXABRSA-N 415.489 5.763 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1)c1ccc(F)cc1F 12926089 NKBQQOUTDRYTKJ-VQHVLOKHSA-N 402.397 5.141 30 40 HKEB N#Cc1c(N)nc2sc(C(=O)c3ccc4ccccc4c3)c(N)c2c1-c1ccccc1 13029422 LOLFKJLJIGEHQN-UHFFFAOYSA-N 420.497 5.384 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)c1cc3c(cc1N2)OCO3 18196888 JOTFTQDBERAHQO-VWLOTQADSA-N 411.457 5.772 30 40 HKEB COc1ccccc1-c1nnc(S)n1/N=C/c1cc(C)n(C2CCCCC2)c1C 19634142 JROGIFTZNANCBW-OEAKJJBVSA-N 409.559 5.048 30 40 HKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3cccc(C)c3)c(Cl)c2s1 72229008 HEYSBNTXZLXGQV-UHFFFAOYSA-N 407.326 5.972 30 40 HKEB CCn1nc(C)c(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c1C 118916003 ZHLQDHFHQIQYGH-MXVJYTDESA-N 424.629 5.486 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 223500712 GAEQZUCZEBMYNY-MTDXEUNCSA-N 417.597 5.993 30 40 HKEB COC(=O)c1cc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1Cl 408962277 XYESHCYRZZIUAQ-DHRITJCHSA-N 423.852 5.154 30 40 HKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)o1 408963285 YUCYQXWKVYZNKK-LQKURTRISA-N 421.452 7.117 30 40 HKEB C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409047454 OVNYJGFSLCOACG-UHFFFAOYSA-N 419.304 5.686 30 40 HKEB COc1ccccc1/C=N/c1nc2c(s1)Cc1c(Br)ccc(OC)c1-2 409047492 MTPFUZWPKQJQRH-UFFVCSGVSA-N 415.312 5.245 30 40 HKEB CC(C)N1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409147878 ZXPVKRXSPFFBRF-UWKWSCNSSA-N 405.567 5.647 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 409210034 DEFDYJQTZFPUGZ-VULFUBBASA-N 413.876 6.216 30 40 HKEB CC[C@H](C)n1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 409227116 OXDHJBVVSMHXKO-UBGZSOPHSA-N 421.541 6.375 30 40 HKEB Cc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc3c2CCCC3)o1 841851 JZWRKVKXHAGLFJ-UHFFFAOYSA-N 422.937 6.029 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 4713910 FIBGGUVJPJNSOO-CIAFOILYSA-N 413.275 5.211 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 5498923 NBAPRSAJCXDXQU-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB O=c1oc2ccccc2c(NCc2ccccc2)c1/N=C(\O)c1ccccc1Cl 20522757 LHGBANMAHADPEM-UHFFFAOYSA-N 404.853 5.695 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)c1 22028014 CIGMEMIYIUIATC-KEBDBYFISA-N 420.650 5.717 30 40 HKEB CC/C(C)=N\Nc1nc2c(C(F)(F)F)cc(I)cc2s1 57327436 WYPVKSBHYFXBOW-FXBPXSCXSA-N 413.206 5.118 30 40 HKEB Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 71195243 GFGTYUSAMWINPX-RQZHXJHFSA-N 424.573 6.084 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 100212137 XICZLXIVOPZNFL-VUTHCHCSSA-N 422.528 6.688 30 40 HKEB CCCCCCCCCCCC(=O)c1c(O)c2ccccc2c2oc(=O)sc12 100987630 GVANTWOIPNVDCO-UHFFFAOYSA-N 400.540 6.817 30 40 HKEB Clc1cnc(/N=C\c2ccc(/C=N\c3ncc(Cl)cc3Cl)cc2)c(Cl)c1 104192243 CWAYPYGFKGVCCB-YLSUZJBISA-N 424.118 6.591 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1cc([N+](=O)[O-])ccc1O 104380386 YQJXDIHETZLGBB-JWGURIENSA-N 408.568 5.019 30 40 HKEB N#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 408814560 PRAATCCQQRPYBO-QQXSKIMKSA-N 421.566 5.342 30 40 HKEB Clc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)cc1Cl 408931285 JMLVZWYCIFARSJ-OYKKKHCWSA-N 401.293 5.841 30 40 HKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Br)c2)o1 409189457 GVIBTNCHFVUJGG-SSDVNMTOSA-N 418.674 5.900 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 409208047 ALPOCMINYGSQLU-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)S/C1=N/c1ccc(F)cc1 409237791 JMOPZQDWSJRJNJ-SXZIKPQKSA-N 406.482 5.611 30 40 HKEB C=CCSc1nnc([C@@H](C)c2ncc(C(F)(F)F)cc2Cl)n1-c1ccccc1 3134792 FAUYJGBHTQVZNC-LBPRGKRZSA-N 424.879 5.764 30 40 HKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Br)ccc2O)cc1 3140478 VOXYELDVSIPRQC-ZMOGYAJESA-N 420.262 5.679 30 40 HKEB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#Cc1ccccc1 4478260 NRUFSPVVXJCGNK-CTWGYRKFSA-N 409.573 5.907 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N4CCCC4)cc3)nc2c1C 4849129 PXVAAVHZXNEVGG-UHFFFAOYSA-N 416.550 5.054 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCc2cccnc2)cc1 5248917 XIDCAMJPZQBQDJ-UHFFFAOYSA-N 417.516 5.574 30 40 HKEB CCOC(=O)N1C/C(=C\c2ccc(C)cc2C)C(=O)/C(=C/c2ccc(C)cc2C)C1 5709637 LKJVKDVDQFEMKW-RNIAWFEPSA-N 403.522 5.428 30 40 HKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 10119061 PISZFKLCSBSIFT-VULFUBBASA-N 415.320 5.705 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 20633215 YUADVZLFBZBFHX-IBGZPJMESA-N 414.292 5.361 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 28217530 PODBCWCGOJFVFC-FSJBWODESA-N 417.365 5.721 30 40 HKEB CC(C)(C)OC(=O)N1C/C(=C/c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 95931441 MCSPIRBNMDODQP-BKHHGCLFSA-N 411.448 5.252 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1 97995856 NDMVYXYYSWPGJD-UHFFFAOYSA-N 416.646 7.968 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC 409092349 UWNNEYNRPDPGHL-NKFKGCMQSA-N 424.500 5.485 30 40 HKEB C#CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br 409116579 PSTUFMPBHPVNCH-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1C 409210631 LTIHDQLAUIJBJC-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)c(Cl)c3)c3ccccc32)o1 409393286 PQCQPPNWKNUUBT-OPEKNORGSA-N 410.832 5.612 30 40 HKEB FC(F)(F)c1cnc(C(=NCc2cccs2)NCc2cccs2)c(Cl)c1 1391392 FLFUPLHMXBLERI-UHFFFAOYSA-N 415.893 5.613 30 40 HKEB N#Cc1c(Nc2ccc(Cl)cc2)sc(C(=O)c2ccc(Cl)cc2Cl)c1N 2381130 SDEYXJZKWLKTOJ-UHFFFAOYSA-N 422.724 6.137 30 40 HKEB Clc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Br 2826097 NTUHMYZLXAWDOO-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB CC(C)Cc1c(C#N)c(SCC(=O)c2ccc3ccccc3c2)nc2c1CCCC2 3248771 JUYVRGFUYFSKPO-UHFFFAOYSA-N 414.574 6.159 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2c(-c3ccccc3)nc3sc4c(n23)CCCC4)cc1 5072041 CDVLDPZDLYWBSO-OEAKJJBVSA-N 417.494 5.296 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1Cl 5894247 ICCXJMPTVLADAG-FOKLQQMPSA-N 415.349 6.457 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1C 13475598 ZFDQMSGCKYFESF-BEIQUOEZSA-N 423.563 5.164 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O 26522252 KJKIIUAXZGLUND-AFEICDPWSA-N 412.658 6.756 30 40 HKEB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)C1 33324469 HSVFGQFKQOXFHE-GASCZTMLSA-N 411.889 5.521 30 40 HKEB CCCCCCCN1CCc2c(C)nc3c(-c4ccc(OC)c(OC)c4)cnn3c21 95686747 LFORMMVSWCSJJS-UHFFFAOYSA-N 408.546 5.055 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198082635 MJMVKVNPNBLGGR-MOROIOLQSA-N 411.977 5.649 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O)C[C@H]1O 249691611 LWQQLNNNIPYSNX-IXPKYNAKSA-N 412.614 5.091 30 40 HKEB Cc1cc(/C=N/c2cccc(I)c2)c(C)n1C1CCCCC1 408739292 AZKCOPVWVAIDQA-FYJGNVAPSA-N 406.311 5.965 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)c1 408966664 NLXQRLBISQLBDI-CVKSISIWSA-N 418.493 5.116 30 40 HKEB CC(C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409071214 PYYKDGTURXRWSY-GZIVZEMBSA-N 402.214 5.096 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)cc1 409128690 GKDGWYPUVRHQJV-YZSQISJMSA-N 406.457 5.214 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187505 RHXIEKGJCWFOBU-NLTKLDOMSA-N 417.505 6.237 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409214338 XMVQRLUTOKCGDL-CVKSISIWSA-N 402.494 5.389 30 40 HKEB COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccs2)cc1C(C)C 409299952 WHGDPEQVVVRFDT-UHFFFAOYSA-N 417.534 5.448 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1 3666408 LMUSQXHUEFHWAW-FTJNEJEMSA-N 400.503 5.499 30 40 HKEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 7026634 KCOZLJQVDFYVOB-NQXRBKBDSA-N 407.561 6.894 30 40 HKEB N#Cc1c(SCc2ccccc2Cl)nc2c(c1C(F)(F)F)CCc1occc1-2 9595531 HNMRQQSGAXVDDM-UHFFFAOYSA-N 420.843 6.276 30 40 HKEB CC/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1 14922564 OJXNREUDDAUYDT-XQNSMLJCSA-N 410.757 6.997 30 40 HKEB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O 33436808 DRRRFDMGOBVLBB-YVLHZVERSA-N 417.939 5.189 30 40 HKEB CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)C(C)(C)C)N=[N+]=[N-] 72399397 HBQMTKUQTNSGBI-BWMVHVDHSA-N 409.615 6.873 30 40 HKEB in-vitro O/N=C1/CCCCCCCCCC[C@H]1N1CCC(O)(c2ccc(Cl)cc2)CC1 100964963 HNHRLOUSSCBLKF-CKVBZJJFSA-N 406.998 5.737 30 40 HKEB CCC/C(=N\OCC)C1/C(=N/OCC)CC(C[C@@H](C)SCC)C/C1=N\OCC 101209271 KYGAIMIQMXQORH-GIXYXIIXSA-N 413.628 5.522 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102511475 SGAPYMLXELPUIH-YDJIHCHBSA-N 424.283 5.620 30 40 HKEB COc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 408721943 BOUCRQUUFGIKKX-BZZOAKBMSA-N 418.449 5.024 30 40 HKEB CCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 408867242 KOKVWJZYTNSLFF-WQRHYEAKSA-N 402.903 5.029 30 40 HKEB CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)S/C1=N\c1ccccc1 408906044 GVXYGNLPNZEYJN-AJGXWLHTSA-N 422.553 7.007 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 408907561 BJQSOAQJSWCGPH-KDNQEJAHSA-N 406.551 5.962 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1 408914023 XBCSFYZHLSHRDA-MTJSOVHGSA-N 413.275 5.211 30 40 HKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408937150 IJLMOGTUOCXLKB-FLUDHKCKSA-N 414.936 6.926 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409214348 SQNRCUUICMLYGE-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409379146 UUJBWCDSHDAAMM-XTFCHBONSA-N 414.549 6.585 30 40 HKEB COc1ccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 409384416 CLSUSBZEIJQDTC-CFRMEGHHSA-N 408.523 5.492 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccnc3)CC(=O)O4)C2=O)cc1 524731680 HFGQYYBQZSKXQS-YOYPMJMESA-N 411.457 5.262 30 40 HKEB biogenic CC(C)OC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 658615 YOTHDYOGOMVYRQ-UHFFFAOYSA-N 400.550 5.454 30 40 HKEB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)c1 2235146 STNIUFZATNBYLB-MONKAWABSA-N 415.518 5.160 30 40 HKEB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 4628591 TUPWXDDHBMZTCX-OXJNMPFZSA-N 410.583 5.957 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@@]21C 4666763 PPBLYMALQBCVFW-IVSNMVJQSA-N 402.619 6.518 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)cc1 4827976 KFXQVFSZPHUEGI-MZJWZYIUSA-N 407.304 6.440 30 40 HKEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1 6387617 JTNQMLBVCHZVEQ-UHFFFAOYSA-N 414.452 6.330 30 40 HKEB COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N=C2O)cc(OC)c1OC 6641361 ULBVQDPEZFNSSG-YBEGLDIGSA-N 404.875 5.098 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N2C)cc1 8362849 DYNDBHRADXNWPJ-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB C[C@@H](/N=C(\S)Nc1ccc(Cl)cc1Cl)[C@@H](c1cccs1)N1CCCC1 8692017 XMHYKWUTXHOZPS-PXAZEXFGSA-N 414.427 5.978 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\CC)N(CC)C3=O)c2C)cc1 13881084 BKDGCRDCQZTYJL-WMOWQXFYSA-N 409.599 5.749 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O 16269527 ALQMOFQUQPZYEH-FOKLQQMPSA-N 406.829 5.556 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200054 BJWGQPGUUJVREB-IQMFZBJNSA-N 418.518 5.119 30 40 HKEB C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccccc1 100505579 ZXSXDHRIDAWCHV-BEIQUOEZSA-N 423.563 5.245 30 40 HKEB C=C1CCc2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc21 102054406 JYBKRENUNWLGBC-UHFFFAOYSA-N 411.674 8.846 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=N)c1cccc([N+](=O)[O-])c1 102586055 SFBHATPLYLLVDN-UHFFFAOYSA-N 417.638 7.771 30 40 HKEB Cn1nc([C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1C(F)(F)F 118922997 REYWXXITVRVMTG-VYAQIDIUSA-N 420.519 6.054 30 40 HKEB O=C1CCCC2=C1C(c1cn(Cc3ccccc3)c3ccccc13)C1=C(CCCC1=O)O2 408898701 RNSOZWSIBIGJNP-UHFFFAOYSA-N 423.512 5.818 30 40 HKEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC)S/C1=N\c1ccc(C)cc1 408909937 HVNAUWXMQCJTSY-MIIQOVFOSA-N 410.539 5.416 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408940748 OPZIMJNVZBSMOX-YTEYGYDXSA-N 400.909 6.623 30 40 HKEB CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 409042356 MNFZGPQHYSSLOG-UHFFFAOYSA-N 420.336 5.435 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccccc1Cl 409114393 JKHKQZUKARFJPE-UHFFFAOYSA-N 421.968 6.831 30 40 HKEB N#Cc1c(Sc2ccccc2)nc(-c2cccnc2)nc1-c1ccc(Cl)cc1 3041122 XQYUFHOODGQKMV-UHFFFAOYSA-N 400.894 5.882 30 40 HKEB Clc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)cc1 3202501 NVCTYDTWXZSAFW-YSURURNPSA-N 411.244 6.281 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(-c2ccccc2)cc1 4047981 OGGFWWNLQHJYIG-CVKSISIWSA-N 411.465 5.510 30 40 HKEB CCOC(=O)[C@@]1(C#N)C(/C=C/c2ccccc2)=NN(c2ccccc2)[C@@H]1c1ccccc1 4670941 DWJUYFSZVXMKOE-IYYDKBOXSA-N 421.500 5.390 30 40 HKEB CCc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 4856119 OJSGVMPKENIKRV-BYYHNAKLSA-N 423.585 6.901 30 40 HKEB N#CCCN(C(=O)CSc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 6928471 NKXSGKHLAPAPRU-UHFFFAOYSA-N 405.907 5.128 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccc(F)cc1 8844511 VALDEJSWZGWDMP-UHFFFAOYSA-N 423.831 5.790 30 40 HKEB C=CCOc1ccc(CN(C)C(=O)Cc2csc(-c3ccc(C)cc3C)n2)cc1 23527249 GZBGMULARPTTQS-UHFFFAOYSA-N 406.551 5.193 30 40 HKEB O=C(O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 33319738 SAKYBTFUWBZKRG-MIIQOVFOSA-N 400.459 5.193 30 40 HKEB CN(Cc1csc(Br)c1)C(=O)c1ccccc1-c1ccccc1C#N 83862042 CWUGTPOPXAGSPU-UHFFFAOYSA-N 411.324 5.321 30 40 HKEB CCCCCCCCCCCCCCCCOCCOCCOCCOCCO 100310215 CACXEVGZNASLOU-UHFFFAOYSA-N 418.659 5.526 30 40 HKEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 107584059 QAZXKCYURVIQCB-ZBKNUEDVSA-N 419.102 5.542 30 40 HKEB CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1OC 408728558 OOXFZDUWEFBZFB-RDRPBHBLSA-N 422.484 6.643 30 40 HKEB C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 408802379 ZPOQAUGXVWSMOG-ONUIUJJFSA-N 420.578 5.452 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408860449 VYGJLWJQHZRJOZ-HMAPJEAMSA-N 418.518 5.447 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 408872005 IYJSRHQBHNDNNA-YMVUCSLUSA-N 420.534 5.568 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408913643 QYVUXDGPVPUDNB-OQNHBUHUSA-N 422.594 6.434 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)S2)cc1 408967161 STPKUGJZQFAVCB-UDWIEESQSA-N 418.474 5.153 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408967429 QOSGDDYGSMGVHG-JFLMPSFJSA-N 422.956 6.582 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1C(C)C 409203141 VJXZYLAFELLUOP-LBMUFILHSA-N 407.583 5.529 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1Cl 409213057 ODOUFFFFDIGJRG-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 409215547 AXBFOOGNHJLSKX-DHRITJCHSA-N 412.302 6.535 30 40 HKEB O=C1C=C[C@H](Nc2ccc(Cl)c(Cl)c2)[C@@H]1Nc1ccc(Cl)c(Cl)c1 1588909 IBHDFXRFDFEFAS-RDJZCZTQSA-N 402.108 5.700 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1c(Cl)cccc1Cl 2053041 YLYILLHISBAFNT-DEOSSOPVSA-N 422.355 7.456 30 40 HKEB CCOc1ccc(/N=C(\CSc2ncccn2)Nc2ccc(OCC)cc2)cc1 3311346 PTRALMRUKYCCDV-UHFFFAOYSA-N 408.527 5.208 30 40 HKEB Oc1c(Br)cc(/C=N/Nc2ccc(Cl)cc2)cc1Br 4921054 YYIRIIDIBLVCAD-REZTVBANSA-N 404.489 5.017 30 40 HKEB COc1ccc(/C(=N\OCc2ccccc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5526824 JVSYDQRQIKCCBM-LMBAVIPZSA-N 401.462 5.149 30 40 HKEB CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC(C)C 8214704 XXUPXHKCPIKWLR-IZYGNDRDSA-N 424.622 5.122 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc(OCC)c1O 12466755 OUXSMOJRJWRHPX-TWGQILOBSA-N 408.523 5.062 30 40 HKEB CC(C)(C#N)C(=O)Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl 79015566 VHVCBCOOASDGHO-UHFFFAOYSA-N 417.694 5.134 30 40 HKEB CCCCCCCCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 100544107 IKKOEFAXERCDOM-ZCOIRKDISA-N 401.550 5.413 30 40 HKEB FC(F)(F)c1cccc(/N=C\c2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c1 104192138 GIJIOLGRUWWULN-PGQPTCQNSA-N 420.356 7.225 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1CC 408560232 GCTWLLLOEHDRKL-UHFFFAOYSA-N 402.608 5.467 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 408759099 XTZAPYYCTBMUIL-JWGURIENSA-N 400.503 5.933 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408905630 BTIHPYOBDADJJD-UXTWZOPHSA-N 416.930 5.295 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O 408937085 MJMOPGUMJRJWAW-ZVGNPZKJSA-N 411.461 5.878 30 40 HKEB CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408941710 PMSNEGZKFDHDQV-NMVMYQKISA-N 408.545 7.053 30 40 HKEB O/N=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 409046067 IMIXXGFPKLMEAP-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 409216366 HQNISVILRJWKTF-RWPZCVJISA-N 403.884 7.270 30 40 HKEB N#Cc1c(OCC(=O)c2ccccc2)nc2c(c1-c1ccco1)CCc1ccccc1-2 642543 USQFYYJXTYCJKI-UHFFFAOYSA-N 406.441 5.241 30 40 HKEB aggregator CCOC(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 2064001 SJBMYJLIPBQGPK-KRWDZBQOSA-N 402.519 5.639 30 40 HKEB CCCCCCCCCSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 2312261 VNAFEBNIXDHFTL-UHFFFAOYSA-N 424.566 6.266 30 40 HKEB N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccccc1)CCCC2 2479564 MGKDFLMWCLHIRM-UHFFFAOYSA-N 414.530 5.335 30 40 HKEB COc1ccc(-n2c(C)ns/c2=N\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 4734376 WMEGIPBQFLUAQC-YPAXQUSRSA-N 414.534 5.238 30 40 HKEB CC[C@H](C)Nc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n12 5454104 GJTVCUXTIWPSCR-HNNXBMFYSA-N 402.929 6.122 30 40 HKEB CC(C)c1ns/c(=N\C(=N\c2ccccc2)c2ccccc2)n1Cc1ccccc1 5727548 QEFMHEDYWBJYDB-BTHHAUNMSA-N 412.562 5.796 30 40 HKEB CCCCOc1cc([C@H]2[C@@H](C)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)ccc1OC 5792879 RDCAJBSGEZOONE-ZYKLXPEUSA-N 413.521 5.500 30 40 HKEB Fc1cc(F)c(F)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1F 6078812 FQAVKGOGWBBPCR-KKMKTNMSSA-N 410.374 5.542 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 8570826 NHLFZLNZZUIRTG-DHRITJCHSA-N 400.305 6.640 30 40 HKEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OC/C=C/c3ccccc3)ccc21 9547288 VLENUEZRBPUGFF-PXVUUWQASA-N 423.295 6.702 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(F)cc3)ccc21 11869304 HJIJWFDMAJWCCT-NKVSQWTQSA-N 415.247 6.328 30 40 HKEB O=S(=O)(Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1)c1ccc(Cl)cc1 16450754 KIRPBMNEJXKYST-ZBJSNUHESA-N 421.305 5.021 30 40 HKEB C=CCOC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635395 DMGORDHHGSAQGU-UHFFFAOYSA-N 408.704 5.722 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Cl)cc1Cl 95482962 FLNHXIZNFPNIRI-PZJWPPBQSA-N 424.327 6.036 30 40 HKEB CCCCCCCCCc1csc(-c2nc(CCCCCCCCC)cs2)n1 97972202 FNAZWICXOXNWDC-UHFFFAOYSA-N 420.732 8.853 30 40 HKEB C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 100062406 BJWJSOYJPSJWKC-LUOBRMRYSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 100166417 ZDNQUQWVDUNSBW-YBEGLDIGSA-N 422.521 6.358 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccc(OC)cc1 100282518 MSYIDQFKYSGYDW-DEOSSOPVSA-N 417.678 8.134 30 40 HKEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(Br)cc1 100306886 KZQNNFKNZUFTJA-VZCXRCSSSA-N 401.329 5.406 30 40 HKEB Cc1cc(C)c2oc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)nc2c1 100502823 JTSUTPTWUAVHHB-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc(Br)cc1 103550828 HPJCEFIINVJLND-UHFFFAOYSA-N 419.081 5.686 30 40 HKEB O=C(CO/N=C\c1ccccc1OCc1cccc(F)c1)Nc1ccc(Cl)cc1 107824813 RPKXAILXCPNQIA-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226318534 PPTQPLFXGFDTFE-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408591316 JRBTURRNUAGKCT-MFKUBSTISA-N 420.465 5.432 30 40 HKEB Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)c(C)c1 408960402 LKVBKHXUJPQQEE-JUQJSGDGSA-N 419.594 5.836 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 409203194 VRTKSCXKYKCGLQ-JFLMPSFJSA-N 407.941 6.994 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 409209341 GDCCQBLDOVXSER-CIAFOILYSA-N 423.148 6.089 30 40 HKEB CC(=O)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409387826 RFUWSXXEOCMJLQ-CVKSISIWSA-N 400.478 5.274 30 40 HKEB N#C[C@H](C(=O)O)[C@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1632948 APSSOUIYMBILKM-AHKZPQOWSA-N 401.465 6.502 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 1885578 YUWCHHJJFHLLBT-DFJXIDDLSA-N 413.433 6.087 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)c2ccccc21 2076290 JKCKHWUASQSBBG-BKUYFWCQSA-N 421.953 6.180 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1 2756785 XFKRAOUOIBZOBD-ZJDMXDFCSA-N 407.300 7.526 30 40 HKEB C[C@@H](C#N)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 3365064 JBLUQZPWJFTSBI-UJFYRASASA-N 420.296 5.521 30 40 HKEB C[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 4254226 FJVNKHNGQYZQEA-LLVKDONJSA-N 408.836 5.611 30 40 HKEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c1 4944851 PLDYKOBQKRHBQG-FQEVSTJZSA-N 419.521 5.176 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4nnc5n4CCCCC5)cc3)c2C)cc1 5657718 VXXJSVNNSDSZTN-MTDXEUNCSA-N 423.564 6.138 30 40 HKEB CCOc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1 5872854 ZXRSCJJYQFHSKC-HKWRFOASSA-N 403.865 6.303 30 40 HKEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(OC(F)F)cc1OC(F)F 6598754 SUJSXXCGOIMCKY-QPJJXVBHSA-N 409.162 6.092 30 40 HKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1Cl 6656659 HQGKCHSJFZWCRB-UHFFFAOYSA-N 418.876 5.780 30 40 HKEB O=C(Nc1sc(N/N=C/c2ccco2)nc1-c1ccc(F)cc1)c1ccccc1 16751615 JKDRCGQSMKTZGM-YDZHTSKRSA-N 406.442 5.241 30 40 HKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1cc(F)cc(F)c1 16972074 DIWNSEKJRXMSCD-LFVRLGFBSA-N 410.464 5.374 30 40 HKEB C(=N/c1ccc(CSc2ccccc2)cc1)\c1c2ccccc2cc2ccccc12 20242184 YTIPYSRJDVDSHS-VUTHCHCSSA-N 403.550 8.036 30 40 HKEB O=[N+]([O-])c1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Cl 59679142 LPVPUMXSIVHHNT-RGVLZGJSSA-N 404.651 5.552 30 40 HKEB N#C[C@@H](C(=O)Cc1ccc2c(c1)CCC2)c1nc2cc(C(F)(F)F)ccc2s1 70016589 DKTVFSFUJLHALW-INIZCTEOSA-N 400.425 5.223 30 40 HKEB C=CCn1c(SCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nnc1C1CCCCC1 101355103 XXCLPRPFVCNMBO-JPYJTQIMSA-N 416.635 5.031 30 40 HKEB CCN(CC)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 138037915 KNQMLHSLLIWKTG-YZSQISJMSA-N 402.494 5.561 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N\c1ccccc1 208194691 ODKHKQTZLWVGGD-REFLOSCSSA-N 419.594 6.033 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccccc1OCC#N 408816510 LOGICBDXKMPXBG-SANMLTNESA-N 408.501 6.052 30 40 HKEB Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408818016 YZWISIBPHHPLKE-VROXFSQNSA-N 421.711 6.503 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)N1CC 408909147 GEHNDTMVOVKUNA-LBMUFILHSA-N 408.567 5.908 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccccc3C(=O)O)o2)sc2c1C1CCN2CC1 409200013 GSGLWMZRXHVCEA-WYMPLXKRSA-N 403.463 5.026 30 40 HKEB COc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br 409202291 QVFIXCDTGHUSNF-UFWORHAWSA-N 417.528 5.933 30 40 HKEB O=C1/C(=C/C2=Cc3ccccc3OC2)Oc2cc(OCc3ccccc3F)ccc21 2362441 IDKPINSJRMXJME-MSXFZWOLSA-N 400.405 5.340 30 40 HKEB CSc1cc(-c2ccc(Cl)cc2)n(Cc2cccc(Cl)c2)c(=O)c1C#N 3105323 VLOPDVDUXUKWLW-UHFFFAOYSA-N 401.318 5.464 30 40 HKEB C=CCc1cc(/C=N/Cc2ccccc2)ccc1OCc1ccc(Br)cc1 3660977 GGWWMQLLSXDMPJ-YZSQISJMSA-N 420.350 6.376 30 40 HKEB COc1ccc(/C=N\Nc2cc(C)nc3ccc(C4CCCCC4)cc23)c2ccccc12 5487810 XKTXBIDXFXLOND-MIXAMLLLSA-N 423.560 7.199 30 40 HKEB COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4OC2)C3=O)c1 5960643 KOBRNOOUUSRDNA-MXAYSNPKSA-N 412.441 5.209 30 40 HKEB biogenic Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 6504248 LEZWTISEGZSTBO-HNNXBMFYSA-N 411.596 5.206 30 40 HKEB CCc1cc(SCc2nc3ccccc3s2)n2c(nc3ccccc32)c1C#N 6650162 IRMIHRADKCGYNT-UHFFFAOYSA-N 400.532 5.824 30 40 HKEB Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 6896661 SCZROWYBEZQTKQ-OGLMXYFKSA-N 405.457 5.937 30 40 HKEB O=C(O)c1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 9262187 WFFSOWXQEFJMPN-KEBDBYFISA-N 415.199 5.066 30 40 HKEB C[C@]12CC[C@@H](O[C@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 13423844 CZNBRGKOCBBHEM-URTRFJDQSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro Cc1cccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 21722488 ULYXVPJNUHSZQJ-RUZDIDTESA-N 400.547 6.237 30 40 HKEB CCCCCCCCSCCCCCCCCCCC(=O)NC1CCCCC1 68604199 VZJRMOLANPGNOR-UHFFFAOYSA-N 411.740 8.040 30 40 HKEB biogenic CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1 73386453 PZRMUCPIIOVAHQ-UHFFFAOYSA-N 418.754 7.560 30 40 HKEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409761 ZHDRTMLJWBXZSE-KRWDZBQOSA-N 424.547 5.285 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2Cl)cc1 95101289 YTLXPZNDBUFFCR-NRFANRHFSA-N 419.864 5.137 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1 408592581 MSMLHRZMWLBTFZ-DHRITJCHSA-N 419.868 5.802 30 40 HKEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1Cl 408801844 VVNOENMEUXYGGS-YUMHPJSZSA-N 406.913 5.137 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 408881260 KMPLLFMMOOGANK-MTJSOVHGSA-N 410.539 5.336 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc1 408911277 JUCSCVWLFUZWEW-FFYWSVFTSA-N 410.542 6.355 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 409074069 XQIIVYAITHBANR-BUVRLJJBSA-N 424.525 6.065 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409200729 ITCOREQTDMTRMS-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1 409212352 QFRZAWCTEXHAJC-JLPGSUDCSA-N 400.438 5.075 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccccc1 409215987 CTJQCKDNAYEVNC-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CCc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 409216457 IMYQZSVVYGVRCF-WPWMEQJKSA-N 410.473 6.640 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 409250261 MUXVCMASWAVWQH-HMAPJEAMSA-N 421.566 5.194 30 40 HKEB CC(C)(C)COc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409286815 ZYQISCXIYBDZGJ-UHFFFAOYSA-N 417.553 5.751 30 40 HKEB N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccco2)c1-c1ccco1 409383283 VSSCMFODCRYDNS-AUEPDCJTSA-N 417.333 5.059 30 40 HKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O 883191 VISZTGLDVPKYOK-DWXRJYCRSA-N 412.489 5.380 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 1080551 GCOXAXKYNNXZKH-SANMLTNESA-N 415.496 6.361 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C#N)C1 1830705 CUHIFBOQPLWKEX-LBPRGKRZSA-N 417.625 5.349 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3ccccc3c1)Nc1ccccc1N2 4082202 YCDJBFBVNFNALN-BTYSJIOQSA-N 416.524 6.819 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCCC3)cc1 4545633 WSOVCUWVKRGJSY-ZVHZXABRSA-N 408.523 5.930 30 40 HKEB N#Cc1c(SCc2ccccc2)nc2c(c1-c1cccs1)-c1ccccc1C2=O 4648837 VHYFWMQNHWTNMM-UHFFFAOYSA-N 410.523 6.185 30 40 HKEB C=CCn1c(SCc2ccccc2Br)nnc1-c1ccccc1OC 6077252 MAOBJBMJOTWXPP-UHFFFAOYSA-N 416.344 5.195 30 40 HKEB Clc1ccccc1COc1ccccc1/C=N/Nc1nc(-c2ccccc2)cs1 9925839 FPKZGSYWABKZDL-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12554777 NHEIDGFLMBKUPU-QGZVFWFLSA-N 422.598 5.318 30 40 HKEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccccc1Cl)C2=O)CC(C)C 13654091 QBECAIXPMOKKLY-JJFYIABZSA-N 413.945 5.776 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 14017478 HKIJCEWOLKSIMO-QFIPXVFZSA-N 401.485 5.520 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 17919670 NBNBRZYWRRWMFA-TYGLDRHGSA-N 421.566 5.265 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1 18322721 UKDJUSMNANOMFN-WXTAPIANSA-N 412.489 5.590 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F 33764284 OCKCFEWCIZMIAH-UHFFFAOYSA-N 410.518 5.124 30 40 HKEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 59194516 GBTOPZDPJUWADO-MFKUBSTISA-N 417.534 6.028 30 40 HKEB N#CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 100458671 FBJSSDVJDCQIIG-LDTOLXSISA-N 409.885 5.391 30 40 HKEB FC(F)(F)/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 206810161 SXSREXZPYXYIST-UPHRSURJSA-N 414.083 5.844 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 219810241 QZMHQBSLAPQLCG-UHFFFAOYSA-N 403.591 6.685 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408728228 XIWRJKHUWZKKNH-PDGQHHTCSA-N 401.871 5.154 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N1CC 408929606 LNPPAYNQORDZBE-XTJABLFPSA-N 401.963 5.368 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408936986 LUINYGCTXACLFD-MSWQHCTLSA-N 408.501 6.050 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 408937940 JZUKMPAEQXFGOQ-WVCVUWQZSA-N 406.529 6.829 30 40 HKEB Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1Cl 409209008 DXFAMRNUHOAENM-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccccc2F)S/C1=N/c1ccc(OC)cc1 409234358 VVVSSJFYXDHYDK-DIRPYQRSSA-N 421.497 5.249 30 40 HKEB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1csc(-c2ccccc2)n1 2350708 DQYKHTWUDQXBAQ-BJKOFHAPSA-N 413.498 5.712 30 40 HKEB C[C@H](C#N)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F 3365071 JBLUQZPWJFTSBI-LKBVRNOZSA-N 420.296 5.521 30 40 HKEB O=C1/C(=N\Nc2ccccc2)C(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 8430748 OZFFVCRPSIYPSC-QYQHSDTDSA-N 423.501 5.029 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Br 16226571 KZJMGNJOWFSSLD-CNHKJKLMSA-N 419.500 5.330 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)N=C(Nc2nc3ccccc3o2)N1 19920790 AEGWNFCSWFHYIA-JOCHJYFZSA-N 408.461 5.097 30 40 HKEB CCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 50860497 RAAQHTWCMDNAML-IBGZPJMESA-N 405.542 5.536 30 40 HKEB CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NCCCCCCCC 85605926 CSRGRGSMEUKQSD-NVAWQQLLSA-N 411.715 6.916 30 40 HKEB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C(=O)[C@H]21 101506412 IRZSCNFOEAMGDU-PNKFLCTNSA-N 422.594 5.253 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 223491095 JYPLQQJYMVNDHD-VUTHCHCSSA-N 410.561 7.640 30 40 HKEB COc1cc(/C=N/O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 253560731 BEGUUGVQGFAUHU-FBCYGCLPSA-N 405.075 5.152 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 409202657 SPGIPNBRADYWFD-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OCC)c1 409376702 ACXBKMSCWIXBCG-CVKSISIWSA-N 416.433 6.219 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(C(F)(F)F)cc3)C2=C(O)C1 703403 UZERMYMUKNELDO-LJQANCHMSA-N 417.471 6.519 30 40 HKEB O=c1c(/C=N/c2ccccc2Cl)c(Nc2ccccc2Cl)nc2ccccn12 1464428 CSHPRZQPWUSALT-ZMOGYAJESA-N 409.276 5.496 30 40 HKEB Brc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 2756739 MBBCYQAWZZFWON-LPFIIVPBSA-N 419.347 7.142 30 40 HKEB Cc1ccc(C(c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)c2ccc(C)o2)o1 4280959 RDPFWIZNVGEDQV-STBIYBPSSA-N 421.496 7.279 30 40 HKEB Cc1ccc(OCCOc2ccccc2)c(/C=N/NC(=S)Nc2ccccc2C)c1 4548740 RQIDETOGWKFZHE-KOEQRZSOSA-N 419.550 5.082 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1ccccc1 9516920 NTXRYPDWENUSQE-XMMPIXPASA-N 422.488 5.050 30 40 HKEB N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@H]1CC=CCC1)C[C@H]1CCCO1 34869143 YCMWNXIKOMYOIV-QWHCGFSZSA-N 400.737 5.255 30 40 HKEB CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1 100095318 YEAYHNRJRKXWNV-UHFFFAOYSA-O 403.675 6.470 30 40 HKEB in-vitro CCCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 102817331 GBKYQPSEGWLNBH-UHFFFAOYSA-N 412.559 5.121 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F 225955131 MZOGVKMQFQEPMD-UHFFFAOYSA-N 403.444 6.111 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408847381 UOSOSHDLYYRKNG-VCHYOVAHSA-N 400.114 5.401 30 40 HKEB CCOCCN1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)S/C1=N/c1ccccc1 408928486 AGNWYUPSMXSXME-YFGQCYJXSA-N 424.566 5.362 30 40 HKEB COCCCN1C(=O)/C(=C/c2cccn2-c2ccccc2)S/C1=N\c1ccccc1 408932821 ZMRWNNXAVHNMJU-VAIDFFMQSA-N 417.534 5.118 30 40 HKEB O/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 409045541 ZCFKVQVHYGQFOP-CNHKJKLMSA-N 419.500 5.252 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br 409113064 GJIJAICGZMLDHL-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409213727 SSTOUIAOXYBWGX-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 409217238 OHFXTCZOCDQWBW-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB CC(C)(C)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2592108 CRZDVQWNOMNISE-JJFYIABZSA-N 405.354 5.720 30 40 HKEB Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)oc2cc1C 3169501 KKPXFDLMTIJSAN-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CC[C@@H](C)Nc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n12 5454100 GJTVCUXTIWPSCR-OAHLLOKOSA-N 402.929 6.122 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1O 6259227 BJXDFTCPRSNBLH-BUVRLJJBSA-N 401.491 5.637 30 40 HKEB C=CCc1ccc(OCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)c(OC)c1 7737643 DMPSOYJUHICBSZ-ACCUITESSA-N 400.478 5.007 30 40 HKEB O=C1/C(=C2\C(=O)c3ccc(Cl)c4c(Cl)ccc2c34)Sc2cc(Cl)ccc21 8870401 CRTKFJVHNASART-CAPFRKAQSA-N 417.700 6.696 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1ccccc1Cl 9108685 MBMNAAZTSJKXFK-HXUWFJFHSA-N 420.900 5.237 30 40 HKEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[n+]1ccccc1 9329417 SYUGLBZIXVZTRT-BMJBQGFASA-N 422.589 5.500 30 40 HKEB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 10119009 SYSZBVJQCKDNPW-MZJWZYIUSA-N 410.304 5.568 30 40 HKEB Cc1ccc(C)c(OCCCOc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)c1 13943306 MVFJOBPPXZOJPC-KOEQRZSOSA-N 419.481 5.506 30 40 HKEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1Cl 32931751 JNSWKBSOENIPBG-SIKLNZKXSA-N 404.922 5.651 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59249286 LLIUYNORXWXVCX-SRZZPIQSSA-N 403.663 5.342 30 40 HKEB O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100437252 ITBYQUQTOWKIQV-AHHHDHMGSA-N 423.541 5.841 30 40 HKEB Cc1ccc(COc2ccc(/C=N\OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 108076877 GNYSWTWWIBIKDB-QFEZKATASA-N 408.885 5.217 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H]1O[C@H]31 123234767 RSCRZLUNFHPKSW-BYOHLECUSA-N 402.663 6.456 30 40 HKEB C[C@@H]1C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 245237793 XANKMJCZKDANLU-RQDKYUEZSA-N 424.384 7.190 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408723524 WLLDBHPIMPIILI-AFUMVMLFSA-N 414.490 6.148 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)c1 408753596 JRTSJNKNPSFSKY-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 408945050 VSQCNJFYHFWKGF-LSSBKUKYSA-N 414.936 6.931 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl 409214345 SQCZODZEBZVTHM-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)c1 409216792 LNODTYJCDLTKAS-STBIYBPSSA-N 422.528 6.533 30 40 HKEB C=CCN1C(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC1=S 409343127 DNARZDXZOCHNSV-JCMHNJIXSA-N 417.555 5.806 30 40 HKEB N#Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409375143 GFMMWUSWQZFLCS-LGJNPRDNSA-N 407.832 5.119 30 40 HKEB C=CCOc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404184 OLPXRQKPMRLDCQ-UHFFFAOYSA-N 415.880 5.164 30 40 HKEB Cc1ccc2cc(/N=C/c3cc(Cl)cc(I)c3O)ccc2n1 1021430 NANMHSMXYDSPMV-AWQFTUOYSA-N 422.653 5.257 30 40 HKEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ccccc2c1 3013613 ZJZNDNNKQUZURJ-BEIQUOEZSA-N 403.532 5.444 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccc(F)cc2F)c(C)n1-c1ccc(Cl)cc1 3342566 GTTVIJZXLRQWSX-BHGWPJFGSA-N 418.900 5.346 30 40 HKEB COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C(C)C 4591121 MVGXPGUBTUFPGI-BTRCZGFISA-N 408.567 6.139 30 40 HKEB CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](C)O3)cc1 4615364 KDHIJIWTVNWYFK-IZHWHUGBSA-N 400.478 5.279 30 40 HKEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/C1=Cc2ccccc2OC1 5461943 AOHXWXVHRMPBRL-MZJWZYIUSA-N 407.477 5.104 30 40 HKEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 6896216 QGUUBUYNGHJJSY-WEVVVXLNSA-N 415.833 5.043 30 40 HKEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(-c3ccc(Cl)cc3)c(C)nn21 8559386 UMXFQRMMULMRDY-QHCPKHFHSA-N 403.913 5.842 30 40 HKEB Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1[N+](=O)[O-] 9195666 KHIXULJATDPZMI-LSHDLFTRSA-N 404.253 5.594 30 40 HKEB O=C(/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1)c1ccccc1 11614205 QNIMXEAXDRZZCI-NBVRZTHBSA-N 404.263 6.014 30 40 HKEB COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 13476693 BMEPAQVKZPHNTN-FOKLQQMPSA-N 423.812 5.521 30 40 HKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 13769784 XHIANRMHRDMXAM-MOSHPQCFSA-N 404.487 5.881 30 40 HKEB Cc1ccc([C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)c(C)c1 16037464 QTHZGJIAEIEINR-ZONZVBGPSA-N 419.503 6.342 30 40 HKEB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F 17087499 FIDCRYAYZKWSGL-UHFFFAOYSA-N 406.710 5.235 30 40 HKEB C=CCn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 19900948 RFKDFFAILWMHDO-UHFFFAOYSA-N 419.569 5.292 30 40 HKEB CC(C)(C)/N=C1\[C@@H](N2CCCC2)C2(CCCCC2)C(=O)N1c1ccc(Cl)cc1 33435820 VORSLXAWSKRTLZ-ZBCDYPQOSA-N 401.982 5.299 30 40 HKEB Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3Cl)nc2c1C 35291940 YDFZHVVGXCOALG-UHFFFAOYSA-N 407.905 5.000 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3O)nc2-c2ccccc2)cc1 59463678 MHWPOHZCECVLKD-OEAKJJBVSA-N 401.447 5.842 30 40 HKEB CCCCCCCN1C(C)=CS/C1=C/c1scc(C)[n+]1CCCCCCC 95870470 WDUDHDNQGNWNCF-UHFFFAOYSA-N 407.713 7.493 30 40 HKEB CCCCCCCCCCCCCCCCCCOc1ccc(/C=C\C(=O)O)cc1 115121445 ZQZOVFQJZLBPET-ATJXCDBQSA-N 416.646 8.425 30 40 HKEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957129 MHNRIDSHVSOHFO-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1O 1413071 XUIZNACXPXQZGW-DKZNWEEVSA-N 402.947 5.889 30 40 HKEB COc1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1OCCCN(C)C 1729966 MPFZVOWPLIMYMW-NLRVBDNBSA-N 401.510 5.016 30 40 HKEB O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C\c2ccccc2Cl)N1c1ccccc1 1799760 UXOQOFUGRCTRLU-PZWSBBPWSA-N 419.937 5.421 30 40 HKEB C=CCn1c(SCCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1828007 NURDZNMRHYNZCW-UHFFFAOYSA-N 408.611 6.137 30 40 HKEB biogenic N#Cc1c(S[C@H](C(=O)O)c2ccccc2)nc2c(c1-c1cccs1)CCCC2 2319085 JPYKGCKNTOGHKX-FQEVSTJZSA-N 406.532 5.479 30 40 HKEB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4038409 FPWGOQQIWJWEEO-ZHQLMMCASA-N 410.686 8.009 30 40 HKEB biogenic C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1COC(C)=O 4063906 TZJIRGRAEOHQEY-SJROBZAFSA-N 402.531 5.227 30 40 HKEB biogenic C=CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 4857647 TVOZQNAPBHNPSP-RSXGOPAZSA-N 412.489 5.502 30 40 HKEB C=C(C)[C@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O 5222883 BGZLDYWPLZVXDX-VEGGFIAOSA-N 408.494 5.496 30 40 HKEB CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 5408181 MPBJVWIDBIOSSR-QFIPXVFZSA-N 419.452 5.321 30 40 HKEB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N[C@](C)(C#N)C(C)C)nc2c1 6587718 JIFQGLNTZLBJRQ-XMMPIXPASA-N 419.550 5.057 30 40 HKEB COc1cc(OC)c2c(-c3ccccc3)cc(SCc3ccc(C#N)cc3)nc2c1 15544413 SKQPZSUMHINQPS-UHFFFAOYSA-N 412.514 6.083 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1 59464302 PRHAHHFZPAWAIE-CVKSISIWSA-N 418.493 6.384 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)c(Cl)c1 104380300 NZTNZYRDWDOHIZ-JLPGSUDCSA-N 416.462 6.712 30 40 HKEB Cc1ccc2c(-c3ccccc3)c(C(=O)/C=C/c3ccc(N(C)C)cc3)c(=O)[nH]c2c1 226775699 CNGYNXPJRNPPKR-FOWTUZBSSA-N 408.501 5.466 30 40 HKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc2cccnc12 226776274 LNONIQWFIQIRTO-WUKNDPDISA-N 400.481 6.655 30 40 HKEB COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408783894 SBFGLUVEUHOYBP-FSJBWODESA-N 411.845 5.193 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408861142 NWWZUDLHSRYJFA-UWKLGMFTSA-N 406.551 5.878 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1c(C)cccc1C 408907694 OVBZTKBDQOBIFE-SLHJDRLVSA-N 415.902 5.489 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCC(C)C 408991942 RPUUIYZKOFCARS-NDENLUEZSA-N 414.502 5.151 30 40 HKEB CCc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc23)cc1 409200802 JDQYHPHISODFSJ-RDRPBHBLSA-N 422.528 6.479 30 40 HKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cccc1-c1ccccc1 575243071 PBSABHXEOURGBP-UHFFFAOYSA-N 414.267 6.313 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 2740360 WOPVJHMGHXVLBN-MZTACXPWSA-N 423.538 5.721 30 40 HKEB C=CCn1c(SCC(=O)N[C@H](C)c2cc3ccccc3o2)nnc1C1CCCCC1 8853005 NHRVHVNMUVXWLH-MRXNPFEDSA-N 424.570 5.228 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1Cl 9329516 GCQYWXBPDCIERQ-OAQYLSRUSA-N 421.855 5.570 30 40 HKEB S=C(N/N=C\c1c2ccccc2cc2ccccc12)NC12CC3CC(CC(C3)C1)C2 16922656 KGLQMMNYGOVDRI-YUMHPJSZSA-N 413.590 5.760 30 40 HKEB C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38512397 NQBVGGWSAXBLBE-BYJKJZODSA-N 416.646 5.683 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1C 59223850 FKKRJFRLKYUEMK-UDWIEESQSA-N 418.474 5.153 30 40 HKEB CCCCCCCCOC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC 72400227 FIBARIGPBPUBHC-DQEYMECFSA-N 410.683 8.139 30 40 HKEB in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 95933189 UQPYXHJTHPHOMM-MILJZTRFSA-N 416.646 5.539 30 40 HKEB CCCCCCCCCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 97944571 DRAIQRUFWMHZDE-UHFFFAOYSA-N 416.609 7.471 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1 102787040 SYQHXVITBCTHFH-KEBDBYFISA-N 405.635 6.021 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408527247 BNYOQOQOFFOMPJ-BOPFTXTBSA-N 419.333 5.758 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC1=S 408724623 GGXQRNLAJWMGJH-NAXWDIBWSA-N 415.927 5.848 30 40 HKEB Cc1ccccc1/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O 408764367 MLTPFFAEZSAGMH-YBEGLDIGSA-N 401.329 5.266 30 40 HKEB CCc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408854375 DLIVNXQBHHIODT-WSDLNYQXSA-N 420.759 7.160 30 40 HKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1cccc(Cl)c1 409056471 DZKNHQRJZMSMNJ-SSDVNMTOSA-N 415.902 5.169 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 409200325 HXSIXBPKXNDJSJ-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC1=S 409349237 UZCWUPFIAGGSLS-PXLXIMEGSA-N 417.555 5.806 30 40 HKEB CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1O 409382186 PSWMIJZSODPXAG-BRJLIKDPSA-N 422.824 6.180 30 40 HKEB O=C(c1ccc(F)c(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243022 UCZLFIHELYMPRJ-UHFFFAOYSA-N 410.129 5.495 30 40 HKEB Cc1nc(CSc2nc3c(c(-c4ccccc4)c2C#N)C(=O)CC(C)(C)C3)cs1 2889143 CBDLDXWNLCIDKH-UHFFFAOYSA-N 419.575 5.833 30 40 HKEB O=C(c1cccc(Oc2ccccc2)c1)N1CCCS/C1=N\Cc1ccccc1 3285333 IASNOAJOTAMWAE-IZHYLOQSSA-N 402.519 5.614 30 40 HKEB N#Cc1c(Cl)nc(SCc2c(Cl)cccc2Cl)nc1-c1ccccc1 4013273 ANZPFMKHOIGHPF-UHFFFAOYSA-N 406.725 6.268 30 40 HKEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccccc2Cl)cc1 4118275 PGRDUFQJKBSYGQ-VZUCSPMQSA-N 406.821 5.184 30 40 HKEB O=c1c2c3c(sc2nc(N/N=C/c2ccccc2)n1C1CCCCC1)CCCC3 4419847 ZMPKNFYVIMLVMH-BUVRLJJBSA-N 406.555 5.288 30 40 HKEB O=[N+]([O-])c1ccc(/N=C(/Nc2ccc([N+](=O)[O-])cc2)c2cccc3ccccc23)cc1 5595566 MMWZFKRGJICICI-UHFFFAOYSA-N 412.405 5.847 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S[C@H](C(=O)O)c1ccccc1 6473916 ABUKUMWSIDVZJQ-INIZCTEOSA-N 420.437 5.619 30 40 HKEB CC(C)(C)[C@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC#N)c2C1 6615444 XOKYDKORXGJSCJ-WAIALKQBSA-N 416.546 6.126 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 6782994 ASXHMLNWRVRLIG-OAQYLSRUSA-N 422.481 5.062 30 40 HKEB CSc1nc(Sc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccc(C)cc2)n1 12955186 UTGWXCNWSNZUTM-UHFFFAOYSA-N 417.481 6.216 30 40 HKEB CC(C)(C)[C@@]1(c2ccccc2)NC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1 13301840 POISUUDKLNMBFV-RITGCEONSA-N 415.562 6.536 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)[C@]2(CCOC(C)(C)C2)N1c1ccccc1 13766232 DUBATHXYPAWDAJ-VHBBHFJJSA-N 407.583 5.900 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 14081354 JCBFWUSTLHWYJU-UHFFFAOYSA-N 420.763 5.839 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1C 16362602 OFQKHOLWVADFGP-HXUWFJFHSA-N 409.316 6.518 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc1 16449856 MEAFGJZTMOQANZ-ORBVJSQLSA-N 417.337 5.279 30 40 HKEB CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984335 BBAHIBKPPFTSNA-UHFFFAOYSA-N 421.493 5.346 30 40 HKEB CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O 38179988 RGHUGRSNQRHHSF-KSXCTLEASA-N 422.912 6.809 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 100282489 HEUWPRFJPQGNQC-UHFFFAOYSA-N 402.966 7.504 30 40 HKEB Clc1ccc(/C=N\c2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 100498288 JBHMQYZEBPHEEO-UIXGLJBASA-N 422.142 7.801 30 40 HKEB C=C(C)C1(Br)[C@@H]2CC[C@@H]1c1c(Cl)c(Cl)c(Cl)c(Cl)c12 101049633 HWHJKAOEJPWZLV-RNFRBKRXSA-N 400.958 6.985 30 40 HKEB CCCCCCCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373985 OPESDBSJPSZDIT-OZCRVQINSA-N 414.630 6.004 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C/c2cccc(F)c2)C(=O)N1Cc1cccs1 105789382 LYPHRBBEEWGZIJ-POHNCSCLSA-N 408.523 6.000 30 40 HKEB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 215723938 NNGNNDIAJDKNDK-HSOLMKNUSA-N 423.969 6.222 30 40 HKEB COc1ccc(C(=O)/C=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408648897 CTPGTQDUYNDWNJ-OBGWFSINSA-N 417.508 6.748 30 40 HKEB CSc1nncn1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408821780 KEYHPQYFKPHLRP-WYMPLXKRSA-N 408.914 5.268 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(C)C)cc1 408930664 AJFRUUYSWYNDDB-OVVQPSECSA-N 401.554 5.805 30 40 HKEB CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 408934686 BOHDZTULUFKLGE-FXQOIFSASA-N 408.545 6.971 30 40 HKEB COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OC(C)C 408959939 AVFHNOMHGLZQGB-WOJGMQOQSA-N 416.930 5.336 30 40 HKEB CC(C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409038050 ULXSRWUKKSIOQH-MWYAZZEHSA-N 412.374 6.054 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3cccc(Br)c3)cc2)cc1 409074604 UCKRVESTSLOIFQ-LPYMAVHISA-N 402.744 7.004 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1 409220038 XQKBQGSJYMCIEC-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB O=C1C(=Cc2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)C(=O)c2ccccc21 409390210 CACFSLFRLSDGTC-UHFFFAOYSA-N 424.206 5.080 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc4ccccc4c3)c3ccccc32)o1 409394201 XBXVIYYIDFZKJG-DICXZTSXSA-N 408.457 5.973 30 40 HKEB Cc1ccc(S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 3123808 ZZXPUJBAUVDSRS-LSDHQDQOSA-N 401.940 5.576 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 3150532 DGXXLLAHFJNUAY-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB FC(F)Oc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c(OC(F)F)c1 3319207 QTPRXSBHDNSXMX-MZJWZYIUSA-N 416.374 5.761 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 4981380 JNXIBJOJCPIUDY-ZVHZXABRSA-N 406.555 5.820 30 40 HKEB Clc1ccc(Cn2cccc2/C=N/Nc2nc3ccccc3s2)cc1Cl 5094120 IDJJJJSDNUEZHC-SSDVNMTOSA-N 401.322 5.899 30 40 HKEB Cc1noc(/C=C/c2sccc2/C=C/C(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 5212100 KVBGAGAJADBEQB-NUXDXBQRSA-N 400.843 5.673 30 40 HKEB CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(C(C)C)cc2)S1 5546178 JQVRCJWPZWKISA-NJRDNMGOSA-N 423.582 5.153 30 40 HKEB Cc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 6167787 DNVBIJFPARYDBE-SJJYNHATSA-N 410.469 5.898 30 40 HKEB biogenic C=CCn1c(CSc2ccccc2)nn(CC(=O)c2ccc(Cl)cc2)c1=S 6856361 MCCMAUVZNMOYDS-UHFFFAOYSA-N 415.971 5.429 30 40 HKEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OC1CCCC1 6922766 UNFMPDCZAJIPLK-KGENOOAVSA-N 408.523 5.217 30 40 HKEB C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3cccs3)c2c1=O 7735745 KPPIANIYCHARSA-UHFFFAOYSA-N 415.565 5.270 30 40 HKEB CCCCCCCCCCCCCCCNc1nc(C)c([N+](=O)[O-])c(C)c1C#N 8396971 DMRIMKPGIZSCGX-UHFFFAOYSA-N 402.583 6.981 30 40 HKEB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4cccc(C#N)c4)C3)c2C)cc1Cl 8636118 RTMFQFCOQKWHMZ-FGZHOGPDSA-N 416.956 5.525 30 40 HKEB biogenic,in-vitro Clc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1Cl 8811749 VLKNXYNDIUUCNK-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10434022 NKFUSCIZVVDSSS-UHFFFAOYSA-N 402.519 5.147 30 40 HKEB FC(F)(F)c1cccc(N/N=C2\C(SCc3ccccc3)=Nc3ccccc32)c1 13397362 JSCKRKPFJSWJDN-RRAHZORUSA-N 411.452 6.499 30 40 HKEB O=C1N(c2ccccc2)C(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 18033788 ANNODTFQNIALEM-HIXBMYMESA-N 416.484 6.594 30 40 HKEB C=CC[C@@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC 34760474 HVPBKNGELBSKCN-INIZCTEOSA-N 409.341 5.014 30 40 HKEB CCC1([C@@](O)(C#CCN(Cc2ccccc2)C(C)(C)C)c2ccccc2)CCCC1 67194104 VWMPSXHEPCTYSO-MUUNZHRXSA-N 403.610 6.149 30 40 HKEB C(=C\c1ccccc1)\C=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 104058480 STBXUDANNKPDBL-NSDXQKPXSA-N 402.541 7.309 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCC[N+]1(C)CCCCC1 104122582 ZDGZLKSNRRLPHM-KHPPLWFESA-O 407.707 6.771 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408907730 CJJIVBCUNZEOPH-KUZWZGCNSA-N 409.511 5.614 30 40 HKEB N#CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 408916103 UTRXFWOHSKRDPG-QQXSKIMKSA-N 415.518 5.532 30 40 HKEB CC[C@@H](C)n1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409099273 KSGGIDORSAIXJG-DDFZXGMKSA-N 404.392 5.985 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409146354 KQTSKGNOGYGZTB-JWGURIENSA-N 418.518 5.333 30 40 HKEB Cc1ccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2)cc1 409208673 DQZLHXLDKYRABV-QMSJJHEMSA-N 408.567 5.663 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 409208834 DPRDCGWGKHYZDQ-HKNSOBRKSA-N 401.919 6.083 30 40 HKEB CCOc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409209056 FLULWFDAQWVZKU-HYARGMPZSA-N 407.382 5.445 30 40 HKEB C=CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccccc1Cl 409333661 VCNOONAVENRJPX-UHFFFAOYSA-N 415.946 5.306 30 40 HKEB N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ccccc4c3)n2)s1 585293595 JJRBSEOJIZLMGZ-QFIPXVFZSA-N 411.534 5.644 30 40 HKEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccccc1NCC(F)(F)F 1565673291 BVSVXRAAMAUPFH-UHFFFAOYSA-N 405.207 5.211 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1817054 MYDUJHBUWFUCOI-VWLOTQADSA-N 402.563 5.792 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 2213972 LYRMPJBJHIZTAG-UHFFFAOYSA-N 406.555 5.096 30 40 HKEB C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C(C)(C)Cc1ccccc1-2 2229702 HVZXWIPKWVHFRH-UHFFFAOYSA-N 402.563 5.612 30 40 HKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc(C)c(C)c2c1=O 2264101 IFJVDGORZHGSIT-UHFFFAOYSA-N 420.559 5.389 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 2684056 MLIMOXXPULAJID-UHFFFAOYSA-N 417.601 5.322 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 4936144 WCTSUQOMKZPMGE-FTTRISJGSA-N 407.583 5.636 30 40 HKEB CCCCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N 4950059 BWCRJMMYCRSWEN-UHFFFAOYSA-N 413.373 7.486 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)c1 4980100 MKZPWKQZFGFWFR-LSHDLFTRSA-N 411.870 5.025 30 40 HKEB N#C[C@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl 12956082 ULYGLIMYXDSDBA-LLVKDONJSA-N 408.260 5.868 30 40 HKEB O[C@](CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C1CCCC1 20058009 ZWSGNLCSUUIPOH-SSEXGKCCSA-N 423.600 6.160 30 40 HKEB Cc1cc(C)c2nc(NCCCNC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 35312785 DJBNOPGPJRCKDP-UHFFFAOYSA-N 407.905 5.000 30 40 HKEB S=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@@H](N2CCCCC2)C12CCCCC2 71405902 CBDLBSOSUGQUBV-ZQULZTDNSA-N 423.670 6.370 30 40 HKEB Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/c3ccc(Cl)cc3)c(=O)n2c1 100703488 PKJCEFXWDHYIHI-BRJLIKDPSA-N 423.303 5.804 30 40 HKEB CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 102068229 MQYJBRIBYJJYCI-RMTZWNOUSA-N 409.570 6.025 30 40 HKEB Cc1cc2c(cc1/C=C1\S/C(=N/c3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 208233787 UGSVNXDLUDWLDK-WDRZTXSGSA-N 419.594 5.951 30 40 HKEB C[C@H]1C/C(=C/c2ccc(OC(F)F)cc2)C(=O)/C(=C/c2ccc(OC(F)F)cc2)C1 245237043 DBLHUZVQJNKWLR-KZMPDLLWSA-N 420.402 6.355 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253501283 KHWMMNOVUASODC-CKBKDOCISA-N 419.609 5.639 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3cccc(C(=O)O)c3)cc2Br)cc1 408914316 XPAGCSNNNAXAKS-SRZZPIQSSA-N 416.296 5.951 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(C2CCCCC2)c1 408971934 MHNMTHRORQBCGQ-WGOQTCKBSA-N 409.986 7.347 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 409115698 NOIWTRAMPSLGMI-UHFFFAOYSA-N 411.137 5.697 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409189084 CNEAUMKDNVVIBE-YBFXNURJSA-N 406.850 5.713 30 40 HKEB COc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 409209365 GISMAGZGRUEDQT-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(Br)c1 409229110 JXKIGIATUMPQFY-UFFVCSGVSA-N 419.662 6.330 30 40 HKEB C=C(C)[C@@H]1C[C@@H]2c3ccccc3CCC[C@@H]2O[C@@H]1c1cccc(F)c1OCC(=O)O 2037879036 HGOSDPFFFSLCFT-JXKFMYIUSA-N 410.485 5.432 30 40 HKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 1434749 LTSKAIJWRUYIQE-WTYVLRPYSA-N 424.544 6.373 30 40 HKEB CCCCCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CCCCC)cc3)cc2)cc1 2049273 GPRHCWAVIORMGD-QBRCKEFASA-N 424.632 8.653 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(=O)oc4ccccc34)c2C#N)C1 2325708 FFOZKYJDXVCYSW-CQSZACIVSA-N 420.534 5.520 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3O)nc2c1 3032241 GPIRUTDJJODIQP-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1c(F)cccc1F 3051168 OILVRGNFMDTHRL-UHFFFAOYSA-N 405.187 5.424 30 40 HKEB O=C(C1=C(N2CCCCC2)/C(=C/c2ccc(Br)cc2)CC1)C(F)(F)F 3210973 SRVVCZFXEMLBOV-WYMLVPIESA-N 414.265 5.498 30 40 HKEB O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)c1cccc(Cl)c1 3211413 IWPUOIPSOAWHGR-UHFFFAOYSA-N 407.843 5.210 30 40 HKEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 8559380 XUWCCDGVUORDSB-QHCPKHFHSA-N 419.912 5.543 30 40 HKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 9264208 WZYWPCGPUMXVGC-RUZDIDTESA-N 400.478 5.469 30 40 HKEB COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)c2C#N)cc1 20120567 UYJLJYFRFJBHCQ-UHFFFAOYSA-N 418.396 5.311 30 40 HKEB C=CCn1c(SCc2ccc(F)c3cccnc23)nc2sc(C)c(C)c2c1=O 32324138 NABZOEDXVTUVGJ-UHFFFAOYSA-N 411.527 5.240 30 40 HKEB COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccc(N(C)C)cc3)c2C#N)cc1 59433139 ZTBCLLOOPUSZNK-RDRPBHBLSA-N 421.500 6.310 30 40 HKEB Cc1ccc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1C 100102448 AIYJOEXHOKFXNC-OUKQBFOZSA-N 409.888 6.483 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-] 104046605 QIRZEPOZHXLPGK-UHFFFAOYSA-N 416.559 6.061 30 40 HKEB C=CCOc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225535113 NVDVIISFBLPCHD-UHFFFAOYSA-N 422.525 5.456 30 40 HKEB Clc1cc(/N=C/c2ccccc2I)ccc1Br 408551709 PEABFDSNQXBLKS-CAOOACKPSA-N 420.475 5.458 30 40 HKEB O=C(O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 408910448 KITJSQRNOKTYSU-ZVBGSRNCSA-N 405.193 5.610 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)cs1)c1ccc(OC(=O)c2ccccc2)cc1 409052258 GWUJHDKWWGJDQN-YZSQISJMSA-N 413.502 5.865 30 40 HKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 409099518 TYCCIVHYLIHCNJ-YSURURNPSA-N 423.778 6.281 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)nc1 409103499 WUMPUEPNHLZCAK-OPVMPGTRSA-N 400.187 6.113 30 40 HKEB COc1cccc(/C=N/c2ccc3ncccc3c2)c1OCc1ccc(C(=O)O)cc1 409187486 RBQMSSKKGTXXDA-JFLMPSFJSA-N 412.445 5.271 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409200233 HDUGADHUICFYCD-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1ccc(/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 409212901 SBPBHSWMMQELHP-ZCTHSVRISA-N 415.536 7.939 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3OC)S2)cc1 409237464 URMGGUKDIZVBFN-JCMHNJIXSA-N 421.566 5.140 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C#N)C1 2092799 ZVHBZHMWRAHOJO-CQSZACIVSA-N 411.527 5.630 30 40 HKEB N#Cc1c(OCc2ccc(F)cc2)nc2c(c1-c1ccc(F)cc1)CCc1ccccc1-2 2180951 XMRXORWTIVBCLD-UHFFFAOYSA-N 424.450 6.243 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(CC)C2=O)cc(OC)c1O 4664370 YBLCECFXJVXHAO-MDIFQPDJSA-N 422.550 5.370 30 40 HKEB Cc1cc2nc(-c3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2cc1C 4670586 KJSYVOQYFBNDMN-UMKNWRDPSA-N 413.433 6.141 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944869 VXUMUCZBNBAGGV-LJQANCHMSA-N 423.484 5.007 30 40 HKEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)c(Cl)c2)NC1=O 5376522 SNRQRIORBMCCNW-YVLHZVERSA-N 405.306 5.450 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 5504607 MITXQQZILNFWJH-JOCHJYFZSA-N 418.880 5.643 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1C 8821057 IQVSJQLGDOVCPB-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1 13739599 RBGOHSGSKKZHDG-ZVHZXABRSA-N 421.978 7.061 30 40 HKEB Cc1ccc(CN2CCN(/N=C/c3c4ccccc4cc4ccccc34)CC2)c(C)c1 19850391 ZKNBWFMWALNMPJ-VUTHCHCSSA-N 407.561 5.762 30 40 HKEB 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30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1F 409215775 FDQVPRKGDNEYOK-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB O=C(c1cccc(F)c1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242731 FOLSWCTUFAYOOZ-UHFFFAOYSA-N 410.129 5.495 30 40 HKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 4577646 GPSJHRHIRKAHJK-KEBDBYFISA-N 400.778 5.171 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(CC)cc3)N(C)C2=O)cc1OCC 4664391 TYCAACJBNKJCTD-NVZLDUMVSA-N 410.539 5.280 30 40 HKEB C=CCn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 5296061 IHCQJYWIXVFLQB-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB CCc1ccc2[nH]c3nc(N/N=C/[C@@H]4CC=C(CCC=C(C)C)C[C@@H]4C)nnc3c2c1 5471564 GVWCFPPDEZEYPF-QGJUGNDFSA-N 416.573 6.185 30 40 HKEB Cc1ccc(N/C(S)=N/C=C(/c2ccccc2)[S@@](=O)Cc2ccccc2)c(C)c1 5553036 CJSDAIJCUJJYKE-QBNATXNWSA-N 420.603 5.949 30 40 HKEB Oc1ccccc1/C=N/Nc1cc(-c2ccccc2)c2cc(Br)ccc2n1 6474400 CKWLQGCAQDKVQH-ZVHZXABRSA-N 418.294 5.816 30 40 HKEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(Oc2ccccc2)cc1 6962305 OTEWDRABLHVKCX-AZPGRJICSA-N 405.457 5.364 30 40 HKEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OCc3ccc(F)cc3)ccc21 9215709 QOUOZPMWQSQGIX-NHDPSOOVSA-N 415.247 6.328 30 40 HKEB Cc1ccc(COc2ccc(/C=N/Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 11992147 FSDYRGXVQNQUNN-CVKSISIWSA-N 413.546 6.452 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2C[C@@H](C)C[C@@H](C)C2)cc1 12689766 MHLXZWONLQEEJG-BGYRXZFFSA-N 422.576 6.049 30 40 HKEB COc1ccccc1N1C(SC)=N/C(=N\c2c(C)cccc2C)C12CCCCC2 13764693 FBBDIRGSZNYNTM-LVWGJNHUSA-N 407.583 6.284 30 40 HKEB O=C1CN(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 18193926 ZGCFSXXULFMMKO-XHEHIBSSSA-N 424.331 5.371 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 20633230 PDSMEWMQNOQFAV-LJQANCHMSA-N 414.292 5.361 30 40 HKEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 21299910 KAATUXNTWXVJKI-NSHGMRRFSA-N 416.304 6.178 30 40 HKEB in-vitro CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(-c3ccccc3F)s2)cs1 24825297 KVGANTDPFDGUEI-CMDGGOBGSA-N 400.500 5.280 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C(/C=C/c2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 26442382 OZYRDGYEILGBRH-HFYBAYOISA-N 412.402 5.233 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC 59463825 OOWPYPMARQBDQO-WGOQTCKBSA-N 414.530 6.553 30 40 HKEB O=C1c2ccccc2-c2cc(Br)c(/N=C\c3ccc([N+](=O)[O-])cc3)cc21 100182696 QOGIWCJMXRDQHD-JJFYIABZSA-N 407.223 5.319 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)sc1C 102521185 LLPQAJWWARFNQC-SELCWUDQSA-N 424.909 5.040 30 40 HKEB C/N=c1/scc(-c2cccc(Br)c2)n1/N=C/c1c(F)cccc1Cl 102960248 NBZZRIRGCOOQAN-VFXHURPISA-N 424.726 5.184 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc2ccccc2c1 408560603 LRBCUNXEWCOPAC-UHFFFAOYSA-N 422.598 5.861 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 408560708 NYIWPRCBRULLTQ-UHFFFAOYSA-N 414.619 5.831 30 40 HKEB CCN(CC)c1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408748579 FMRCXZLPKDRJQB-WOJGMQOQSA-N 420.365 5.731 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910551 IOVSWSSGVCSXIR-AFNGUCGGSA-N 408.567 6.185 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408953545 WPUXRHGCCAAGBX-IXORVSQSSA-N 408.929 6.710 30 40 HKEB Cc1cccc(C)c1N=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1C 409016279 QRUVOCSSQOBGCG-KWKLDLJFSA-N 403.507 5.034 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(F)cc1 409109288 AZVULHKNPSAPQS-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccccc1 409113616 DVJIKRSJJRRTIO-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br 409201013 LGEKXHSZTSPATO-RGVLZGJSSA-N 409.121 5.835 30 40 HKEB Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2Br)cc1 409208166 BNGCCNJRNXWKCK-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2c1ccc(F)cc1F 1079593 HKMPRASIUWEBRI-ZDUSSCGKSA-N 422.258 5.799 30 40 HKEB C=CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 2308379 IYOBNWIQYWQLGT-CQSZACIVSA-N 422.579 5.121 30 40 HKEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 4836840 NWCVUKWTUDWXIN-FQEVSTJZSA-N 421.589 5.092 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 6622273 GTHBNSYEJROIME-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB Cc1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1 6943762 HSAOFJAADVRYEO-UHFFFAOYSA-N 416.502 5.122 30 40 HKEB N#CC1(c2ccccc2)CCC(NCCCCCc2nc(-c3cccs3)no2)CC1 8039065 JGNLKBXPMBNQQA-UHFFFAOYSA-N 420.582 5.505 30 40 HKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2)c2nc3ccccc3o2)cc1 11614475 NVWBAWNWWHKMJX-KMPCDDRWSA-N 411.457 6.172 30 40 HKEB O=C1/C(=C/c2cccs2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 13655569 UXDWYOZJCGHEFZ-GRSHGNNSSA-N 403.286 6.250 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3Cl)c2C#N)C1 14070721 NXAJLMINDUSPCU-VXGBXAGGSA-N 422.381 5.341 30 40 HKEB N#C/N=C(/S/C=C/C(=O)c1ccc(Br)cc1)SCc1ccccc1 16480830 DCNPAPAEZDSSEA-SDMMKSMRSA-N 417.353 5.649 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c2ccccc21 28182773 RVUQFKZGAIBBJW-OYKKKHCWSA-N 416.521 5.215 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408859331 SNANVMNOTSBQCL-NYBICQRHSA-N 411.483 5.371 30 40 HKEB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409047845 NKUHUBBWTLMPHT-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1F 409112252 FNKWUSBJFUTATL-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(CC)CC)cc3)C2=O)cc1 1896176 DFTYVAUNFPSJDJ-PGMHBOJBSA-N 424.591 5.503 30 40 HKEB CCCc1oc(C#N)cc1CSc1nnc(-c2cccs2)n1-c1ccccc1 4624031 PNEITFCXBKAUSL-UHFFFAOYSA-N 406.536 5.705 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)ccc1O 4832161 XZBIOPVNVJMAPM-ZMOGYAJESA-N 404.857 5.110 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c(C)c1 5376571 VHMDYMQEXCFXEN-UDWIEESQSA-N 408.910 6.108 30 40 HKEB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)cc1 5875326 WBTZSVMEBLOJEW-ZMYBRWDISA-N 424.566 5.938 30 40 HKEB CC(C)Cc1ccc(/C=N/NC(=N)SCc2ccc(OC(F)(F)F)cc2)cc1 6358205 XNFIHNGMJKJPKW-BRJLIKDPSA-N 409.477 5.575 30 40 HKEB N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(F)cc1 7778761 UGQZNKNPTSHFJX-QHCPKHFHSA-N 409.468 5.861 30 40 HKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)c(Cl)c1 14122581 UNHIUBFQAOMISS-UHFFFAOYSA-N 420.365 5.951 30 40 HKEB CCOc1cc(/C=C/C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC 32800877 MRTDMRBGWSSYOA-ONOODXEBSA-N 412.917 5.242 30 40 HKEB CCOc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)c1O 100502842 ZNFOMXRAJLRNIF-AFUMVMLFSA-N 402.450 5.618 30 40 HKEB CCc1ccc(/C=N/c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 102957939 JEHWDTLLPOKDCY-XQNSMLJCSA-N 404.963 5.218 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1Cl 104373413 ABQHBYONRNPVIR-JLPGSUDCSA-N 416.462 6.712 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916221 CNJPGFFQFAETRQ-GBGPYYFHSA-N 410.985 6.226 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)SC1=S 223518613 LGOVBWCPMIIASU-NDENLUEZSA-N 412.624 5.793 30 40 HKEB N#CCc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225341017 ZWLUYOASWKLGIP-UHFFFAOYSA-N 410.395 5.279 30 40 HKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 225844952 QIBCKMKDIQCXSQ-UHFFFAOYSA-N 402.579 5.789 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408691789 QCVJASMYXYMMEJ-RIYZIHGNSA-N 406.909 6.522 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c(C)c1 408990343 KSMFQCSRHSXAIB-ATVHPVEESA-N 407.520 5.334 30 40 HKEB COc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 409025146 MNZLHBUZVOSRQQ-SSDVNMTOSA-N 415.902 5.087 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br 409201489 NRBCXDYXNZKRLX-LFVJCYFKSA-N 406.279 6.004 30 40 HKEB C=CCSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 2395115 WMCZINYJLCMVPP-UHFFFAOYSA-N 405.342 5.589 30 40 HKEB Cc1cc2c(cc1C)N[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2 4048148 LLZZVEUQCQJPFU-QFIPXVFZSA-N 414.471 6.544 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1c2ccccc2cc2ccccc12 5904505 JVMRZQLFQQKKKW-QFEZKATASA-N 414.921 6.076 30 40 HKEB N#C[C@@H](c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8670527 MEUVBYOWCXHDLY-LBPRGKRZSA-N 415.724 5.976 30 40 HKEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Br)cc1 8738804 OWFYSPZOEPOULH-UHFFFAOYSA-N 417.310 5.902 30 40 HKEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc(Cl)c(Cl)c1 27526013 NZLVAXFMQXKPLT-UHFFFAOYSA-N 400.329 5.359 30 40 HKEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CCCCC4)o3)cccc2c1=O 36358682 ZMOXHMKHTDHGDR-UHFFFAOYSA-N 411.461 5.285 30 40 HKEB CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H](CC)CCCC 95866653 PUYRISKXBBQECH-CCDWMCETSA-N 410.683 7.995 30 40 HKEB CCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCCCC)OCCCC 100301965 MLZFYRJHSLXFLK-OAQYLSRUSA-N 420.571 7.275 30 40 HKEB CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 408816414 YNUCZXVEDQUZCY-QQXSKIMKSA-N 424.610 6.227 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)c(Cl)c1 409089259 ZHRPKTXUVPLEAN-ZMFRSBBQSA-N 400.349 6.917 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)cc2)cc1 409240543 ULWUMJYXFFKGBV-JCMHNJIXSA-N 416.571 6.346 30 40 HKEB C=CCCCOc1cc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)ccc1OC 4114029 BCIFETNKNZAADL-UHFFFAOYSA-N 413.473 5.798 30 40 HKEB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 4778407 XUJOANVPIQVRRB-UHFFFAOYSA-N 401.397 5.075 30 40 HKEB COc1ccc(OC)c(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 4862909 WWVIRFKVCHWIEV-AFUMVMLFSA-N 418.884 5.413 30 40 HKEB CCc1ccc(-c2csc(N/N=C(\C)c3ccc(Br)cc3)n2)cc1 4957149 IDRUFABSQDBGPT-LPYMAVHISA-N 400.345 5.971 30 40 HKEB CCCC/C(=N\N=C(/CCCC)c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O 5950971 JDBQMSSPMXUZFM-LMCGJEQXSA-N 408.586 6.905 30 40 HKEB C/N=C1\S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C(=O)N1C 9323312 PJEZHUQDSJPTLA-QMSJJHEMSA-N 402.519 5.259 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1 12862872 SZMNSBLIYLNLAV-ROTLSHHCSA-N 416.473 5.516 30 40 HKEB biogenic COc1ccc(/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 13564556 ILYUAJGLBOKWPM-DAFNUICNSA-N 411.288 5.670 30 40 HKEB CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 21475716 UAXKSORQDOVOGD-UHFFFAOYSA-N 412.518 5.173 30 40 HKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc12 35314358 HSBLYBSAPYQPPH-UHFFFAOYSA-N 409.514 5.813 30 40 HKEB O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 104109156 WDGVQJZFZQWFGB-HOGKFDNTSA-N 417.892 5.004 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C 223533490 NZSAVZIZVVSGIX-CPEHUTGBSA-N 419.594 5.999 30 40 HKEB CCCCCCCCCCCC(=O)N1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 408678633 FWFVRJATXGFADH-QIELNMHASA-N 405.582 6.742 30 40 HKEB C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 409082504 SSIFPDGUMYYWDV-NLTKLDOMSA-N 422.594 6.485 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409213313 SHJRAMOXFPAWFI-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB CCc1ccc(C=Nn2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 409305614 WFBVDCDCXABLCT-CQSZACIVSA-N 412.331 5.117 30 40 HKEB COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)cc1 2105137 WSNKTDKGKVKUNW-UUYOSTAYSA-N 420.848 5.322 30 40 HKEB biogenic Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1cccnc1 4663233 DPWVFUHGMNREHF-FUSDPXDGSA-N 416.594 6.324 30 40 HKEB O=C(/C=C/c1cccs1)c1ccc(NC(=O)c2cccc(Br)c2)cc1 4852254 SHKQTJMOSSWAIC-ZHACJKMWSA-N 412.308 5.659 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 5447099 QMGMBUOMGVPKSK-DNVJHFABSA-N 407.498 5.032 30 40 HKEB CCN(CC)CCOc1ccc(/N=C(\S)Nc2ccc(OCC(C)C)cc2)cc1 5839858 HSQYVRJHKHVEKA-UHFFFAOYSA-N 415.603 5.471 30 40 HKEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 6669402 YEZAVBRQBIHIHI-UHFFFAOYSA-N 423.516 5.392 30 40 HKEB C/C(=C/C(=O)c1cc(Br)c(C)s1)c1cc(Br)c(C)s1 8431178 GKFHMMFFTZUJDT-DAXSKMNVSA-N 420.191 6.238 30 40 HKEB Clc1ccc(Cl)c(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 9195514 VSTQFXIFEQCBEV-NUGSKGIGSA-N 414.119 6.684 30 40 HKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1cccc(C)c1 9232235 IHNXRODKRNIDRN-UHFFFAOYSA-N 413.429 5.077 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 9713911 SAXBRWHZZPRYAQ-GFCCVEGCSA-N 419.884 5.426 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1 10118966 FUHKZBHNNMWPRZ-RWPZCVJISA-N 405.904 5.914 30 40 HKEB S=C(NCc1ccccc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 13940361 GQPFSITWAISRMD-LPYMAVHISA-N 401.944 5.082 30 40 HKEB Cc1ccc(Sc2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[N+](=O)[O-])cc1 32124727 OVNCJCBAFHOMQM-HMAPJEAMSA-N 422.535 5.375 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 33011186 QLIYGHFLDIRFJD-UHFFFAOYSA-N 409.898 5.013 30 40 HKEB Cc1cccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 59500715 LCCWGQMOVNGNHT-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB [N-]=[N+]=N[C@@]1(c2ccccc2)C(=O)C(Cl)=C(c2ccccc2)N(c2ccccc2)C1=O 73311275 LJCSWOKTCLISLU-QHCPKHFHSA-N 414.852 5.416 30 40 HKEB CCCCCCCCCCCC[C@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)OCC 97957594 USQBFMHVASTQGU-DEOSSOPVSA-N 420.634 7.311 30 40 HKEB COc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)cc1Cl 100250207 HRGOSLYHWDMWSR-GXHLCREISA-N 405.075 5.152 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 102561903 HOGOLBPHNBCPFG-UHFFFAOYSA-N 421.984 6.907 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497837 MNCABEXSEDNYIM-XXIYKPGLSA-N 421.625 5.719 30 40 HKEB biogenic Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3C)NC1=O)[C@H](C)CC(C)(C)N2C 260563042 FHMWHQHZGCZFEB-VYZAVGSRSA-N 419.594 5.917 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2Cl)NC1=O 408819358 QHKSBTILOBXKIG-STZFKDTASA-N 418.905 5.397 30 40 HKEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 408914315 NUJFZAZAGTXRPG-KDNQEJAHSA-N 404.535 5.410 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCOCC4)cc3)c2C#N)C1 409059903 PCVHGQPKZPJACT-PMFZIYJTSA-N 407.583 5.358 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409202816 SOZWLACHLQVRIC-DHRITJCHSA-N 413.304 6.070 30 40 HKEB COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 1248596 UDXFRLMNOGELRN-DCFHFQCYSA-N 410.517 5.983 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 3092261 UYYJXKYSIKBLIX-UFFVCSGVSA-N 411.211 5.713 30 40 HKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccc(O)c(OC)c1)C(C)(C)CCC2(C)C 4547513 ALGRRZOEYZOETR-ODBZBXGJSA-N 406.570 6.155 30 40 HKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5020907 FQZLCXQAPMZMJU-ZVBGSRNCSA-N 406.294 5.350 30 40 HKEB COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1OC 6886709 ZNCFPQYFSIHZJD-SDXDJHTJSA-N 401.487 5.737 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O 8820729 CAZGFTWHNQWHKD-NVNXTCNLSA-N 412.820 5.259 30 40 HKEB CC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 13511096 PWAYPTRNRFBQDS-VHXPQNKSSA-N 405.523 5.064 30 40 HKEB Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)c1O 16269566 KNMNOEVHIBNXLP-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB CCCCCCC1N([C@@H](C#N)c2ccccc2)CCCN1[C@@H](C#N)c1ccccc1 19325946 CZTOZKXKHPKASE-DQEYMECFSA-N 400.570 5.820 30 40 HKEB CC(C)(C)c1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 23243406 WALINODYQKXGEG-JLHYYAGUSA-N 400.522 5.265 30 40 HKEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3F)s2)c(C(F)(F)F)c1 40110790 KIXVTIWCNRINAQ-UHFFFAOYSA-N 405.376 5.016 30 40 HKEB O/C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)=N\c1cccc(Cl)c1Cl 82107524 ZQRYKPOWHHHHJI-KRWDZBQOSA-N 421.324 5.580 30 40 HKEB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=N/c1ccc(N(C)C)cc1 100998845 LVDUSHUVZHWEOM-CJLVFECKSA-N 409.704 5.208 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC 408623329 SJZHZPJOHFOFEL-UHFFFAOYSA-N 403.478 6.003 30 40 HKEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(Cl)cc2Cl)C1=O 408724925 HLPSIGOKROQNOK-VCHYOVAHSA-N 402.277 5.179 30 40 HKEB CCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1cccc(C(=O)O)c1 409052366 CYUFPVCGNPMFHB-PGBYLALNSA-N 424.522 5.044 30 40 HKEB N#Cc1c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)sc2c1CCCC2 409086710 ARZHHMXGKBRWPI-RWPZCVJISA-N 416.590 6.423 30 40 HKEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409209441 FLQHYQYEWXVMBT-MTDXEUNCSA-N 423.468 6.507 30 40 HKEB Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1C 409210542 KUJMDHDODPEPEC-OGLMXYFKSA-N 408.501 6.225 30 40 HKEB CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 710753 FZRAUYYWPSUJTA-HRFSGMKKSA-N 424.500 5.591 30 40 HKEB O=C1c2ccccc2[C@@](O)(C#Cc2ccccc2)c2c1oc1ccc3ccccc3c21 1564322 FTCADZKIPHNLSY-NDEPHWFRSA-N 400.433 5.418 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 8416130 LFYYGLASDVTNSP-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB COc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1 16742202 ZNWFGQOONWVYAY-WSDLNYQXSA-N 420.848 5.492 30 40 HKEB C=CCc1ccccc1OCCCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 21787253 HGKOBRYDRASGSZ-QHCPKHFHSA-N 417.553 5.307 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Br)cc1 26508314 ZUDMKMPOYPTDLW-UZYVYHOESA-N 405.748 6.051 30 40 HKEB CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1OC 32115093 FWRAFZSWBVWVTI-WSDLNYQXSA-N 419.319 5.351 30 40 HKEB Clc1cnc(/N=C\c2ccc(/C=N/c3ncc(Cl)cc3Cl)cc2)c(Cl)c1 104192246 CWAYPYGFKGVCCB-GNIJEABVSA-N 424.118 6.591 30 40 HKEB Nc1c(-c2c(F)cccc2Cl)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225180079 CVCBBEBTSPYOBW-UHFFFAOYSA-N 423.719 5.952 30 40 HKEB CCCCOC(=O)c1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 408593540 BASDUFWPMBYBBI-WGOQTCKBSA-N 402.450 5.326 30 40 HKEB Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1C 408959782 FUWFQSWBBNDKCO-IBORXNHRSA-N 405.567 5.446 30 40 HKEB Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408961232 BPBNRLACVJOMHN-HYARGMPZSA-N 418.493 5.605 30 40 HKEB Cc1ccc(-c2nc(NN=C3CCCCC3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408975556 MZQGUYZFOATQFW-UHFFFAOYSA-N 420.538 6.734 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(Cl)c1 409116805 MQZIJMXTIGWPDJ-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB N#Cc1c(NC(=O)CSc2ncccn2)oc(-c2ccccc2)c1-c1ccccc1 983536 SJTLKRBXKWHKAG-UHFFFAOYSA-N 412.474 5.006 30 40 HKEB NC1=C(c2nc3ccccc3s2)C(=O)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 3281622 JTEWQNUZFGQSQY-FQEVSTJZSA-N 417.921 5.408 30 40 HKEB CC(C)(C)[C@H]1CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 5521606 FCYJQKNNOIQDPN-GZQSYTQKSA-N 424.501 5.976 30 40 HKEB O=C1/C(=C\Nc2ccc(N/C=C3/CCc4ccccc4C3=O)cc2)CCc2ccccc21 5785726 IQOHJINGKJUXNT-SVJWQLCWSA-N 420.512 5.936 30 40 HKEB Cc1cc(-c2ccc(/N=C/c3ccc(F)cc3)c(C)c2)ccc1/N=C/c1ccc(F)cc1 8398501 NDFJPMJGNWNFSK-LTTYKRRRSA-N 424.494 7.750 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 9095797 MDKCJLMZEIAMFH-UHFFFAOYSA-N 419.506 5.169 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)c2ccccc21 16666712 OGRRQBBMASQBNN-CAOOACKPSA-N 402.306 5.377 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1c[nH]c3ccccc13)n1c(nc3ccccc31)N2 17092185 RDKBEMHZEHAXFE-SGANQWHYSA-N 420.472 5.526 30 40 HKEB N#Cc1nc(-c2ccc(F)cc2)c(-c2ccc(C(=O)c3ccc(F)cc3)cc2)nc1C#N 18194165 FPPFDBRBBNGEEZ-UHFFFAOYSA-N 422.394 5.063 30 40 HKEB N#Cc1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)sc2c1CCCC2 19929048 AQXRRJUTAIGTRM-UHFFFAOYSA-N 417.899 5.527 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1OC 35644893 YMXROLUJIHRZTN-RQZCQDPDSA-N 423.321 5.292 30 40 HKEB CCCCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 98048361 WPHVRGSSGULZCL-UHFFFAOYSA-N 420.553 6.197 30 40 HKEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@H]12 105263855 HEISBLGPHCGBTI-JHJLEOOKSA-N 406.953 6.467 30 40 HKEB C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccccc1 107673275 UJJUNCHQUGWZJT-UHFFFAOYSA-N 421.566 5.450 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916216 ISQVBKWANUTMNE-YFEALPGJSA-N 408.582 5.661 30 40 HKEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 408707924 SVLFFUIGVRGSMO-UHFFFAOYSA-N 401.378 5.969 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1O 408819379 RQHXPXDLXAJFBN-WJDWOHSUSA-N 416.296 5.124 30 40 HKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O[C@@H](C)CC 408930977 FQAIKXUMXNFAHB-XUANBZSPSA-N 416.949 5.503 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2c1ccc(N2CCCC2)cc1 408977227 WBHSVALDDJWATG-MUUNZHRXSA-N 422.572 6.750 30 40 HKEB N#Cc1ccccc1CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 409015865 PDZIGWFPNVOUNL-UHFFFAOYSA-N 420.321 5.552 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409209802 JCQFMAFLLZGTHS-OVVQPSECSA-N 424.456 6.717 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 409210976 MIDDORJMIZLFTO-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB CCCc1ccc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)o1 585295403 YHTZTFKRYHSPSB-UHFFFAOYSA-N 407.543 5.078 30 40 HKEB COc1cc(Cl)cc(/C=N/c2cc(-c3nc4c(C)cccc4o3)ccc2C)c1O 802227 DXKMXQYTCJXFIL-BRJLIKDPSA-N 406.869 6.230 30 40 HKEB C=C(C)C(=O)Nc1ccc(Oc2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 2311203 WUSHEZAUVKYBSZ-UHFFFAOYSA-N 407.473 6.118 30 40 HKEB O=C(Oc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 4118561 GORHUDZJWOVFDI-VGOFMYFVSA-N 407.809 5.364 30 40 HKEB Clc1ccc(/C=N/N=c2\sc3ccccc3n2Cc2ccccc2)c(Cl)c1 4534884 LWUUZJSJZFNJKR-FZYNJZOTSA-N 412.345 5.993 30 40 HKEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OC=O 4707997 WJKFCRCNXXVIIT-DEOSSOPVSA-N 413.473 5.338 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 4869674 ONYKRRVUHYDZCK-JIPXPUAJSA-N 423.516 5.311 30 40 HKEB CC(=O)Nc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 5260774 KIZGVTZTLGKENK-UHFFFAOYSA-N 406.526 5.142 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1OC 8820747 YMXROLUJIHRZTN-MFOYZWKCSA-N 423.321 5.292 30 40 HKEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\c2c(O)ccc3ccccc23)cc1 12381753 SUBSPGYBIRDWDZ-OYKKKHCWSA-N 402.523 5.272 30 40 HKEB O=C(O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1 16431006 NHOFZXZKLLXECQ-KPSZGOFPSA-N 413.307 5.236 30 40 HKEB CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820580 SMCYGVFLJGFXIK-UHFFFAOYSA-N 421.957 5.734 30 40 HKEB COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 33650560 JESSIPLYLOPMCW-CFRMEGHHSA-N 423.925 5.983 30 40 HKEB CCCCCCCCCCCCCCCC[n+]1cccc2ccc3cccnc3c21 100501146 HHZDIKNEYCBGBF-UHFFFAOYSA-N 405.650 8.157 30 40 HKEB C=CCSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 224439483 SUHSKYUCLQDABV-UHFFFAOYSA-N 417.943 5.301 30 40 HKEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2cccc3ccccc23)c1N 225849277 MTAZUXRJRAOHJN-UHFFFAOYSA-N 404.473 5.271 30 40 HKEB CCCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408530598 MQYOZJFMZLFQLR-ATVHPVEESA-N 417.328 5.130 30 40 HKEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3Cl)c3ccccc32)o1 408545283 XJQSEPZNHLUGIJ-VROXFSQNSA-N 413.260 6.038 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408723632 YLUJBYCYBPBXNH-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB C=CCOc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1OC 409108345 WHFPXXQMSACINL-BOPFTXTBSA-N 418.312 5.108 30 40 HKEB COc1cccc(-n2c(C)cc(/C=C3\S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 409217335 PFPRGRKJQLOFTN-CPFLNSBHSA-N 411.571 5.192 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Br)cs2)S/C1=N/c1ccc(OC)cc1 409221469 QTNBXSQSMLEUNN-NGCQHBKASA-N 423.357 5.143 30 40 HKEB CC(C)C[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccccc1OC(F)F)C3=O 524733268 CIDQASFPNDOKCJ-FNHQQPGVSA-N 414.404 5.343 30 40 HKEB COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1O 785143 OWJYKYUEOLKMSQ-XMMPIXPASA-N 400.478 5.259 30 40 HKEB CSC(=Nc1ccc(Cc2ccc(N=C(SC)SC)cc2)cc1)SC 2179608 IZAQWKUHAFGNPG-UHFFFAOYSA-N 406.667 6.704 30 40 HKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccc(C)c1 3456564 RVMCKMZSCNPRRA-UHFFFAOYSA-N 404.564 5.855 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 4042520 JISHOKNCLQUPRG-NXCFDTQHSA-N 415.496 5.279 30 40 HKEB O=c1c2c3c(sc2nc(N/N=C/c2ccc(F)cc2)n1C1CCCCC1)CCCC3 4600506 QDEOAKUVQZRABY-AFUMVMLFSA-N 424.545 5.427 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O 4737632 XKZBOZVOIORVRD-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1c2ccccc2cc2ccccc12 5004901 QVKIYPSAGUFRAQ-HYARGMPZSA-N 414.917 6.538 30 40 HKEB CC/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(OC(F)F)cc1 6378033 UMZJXMSYFRDOLO-STRHTSDCSA-N 413.449 5.367 30 40 HKEB CC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 6614906 QVJDFGUMTMOTRG-ZVHZXABRSA-N 408.295 5.699 30 40 HKEB Cc1ccc(/N=C2\C=C(NC3CCCCC3)c3noc4c3c2c(O)c2ccccc24)cc1 6813102 VZGXXRKFRPYXNU-SGWCAAJKSA-N 423.516 6.393 30 40 HKEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)c1 8844543 QGNFKPOUSAFDJH-UHFFFAOYSA-N 411.461 5.256 30 40 HKEB Clc1cccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c1Cl 13108248 UGAXFBRRNXWQOZ-OYKKKHCWSA-N 401.293 5.841 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(O)\C=C\c3ccccc3)[C@@H]2c2ccccc2F)c1 13816458 DGYXIHPEHVTVJI-DEANLKEKSA-N 413.448 5.317 30 40 HKEB Ic1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1 16921074 HANQTVRPUGXKFU-XKZIYDEJSA-N 408.242 5.143 30 40 HKEB CCCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N 22553962 KSFYJPJRTWYJFZ-UHFFFAOYSA-N 400.507 5.155 30 40 HKEB CCCOc1ccc(C(=O)/C(=C\c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 27019113 OXEYEXKFNKBLKI-OQKWZONESA-N 413.473 6.049 30 40 HKEB CCc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3c(C)cccc3C)n2)cc1 40005006 RWONPIUTVOCCMA-BUHFOSPRSA-N 404.535 5.903 30 40 HKEB C/N=C1/S/C(=C\c2c(OCc3cccc(C)c3)ccc3ccccc23)C(=O)N1C 59104080 IGESYUIATSDPOQ-FRODBLILSA-N 402.519 5.259 30 40 HKEB COC(=O)c1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59475153 SMLIORKCIQWNNY-PCLIKHOPSA-N 413.502 5.710 30 40 HKEB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Sc2ccccc21 59503505 QJYHACGKJDLNOL-NHDPSOOVSA-N 413.325 6.902 30 40 HKEB CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 68568973 WXSMFGPMXVJXLJ-CYYJNZCTSA-N 400.994 8.837 30 40 HKEB CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC 85810520 BPYWNJQNVNYQSQ-UHFFFAOYSA-N 400.600 5.715 30 40 HKEB CCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 100384294 BISJQSUETUHALV-WGOQTCKBSA-N 406.913 6.408 30 40 HKEB CC(=O)c1cccc(NC(=O)CSc2ccccc2/N=C/c2cccnc2Cl)c1 215720113 NLFWNFALXMMQLD-DHRITJCHSA-N 423.925 5.419 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1c(O)ccc2ccccc12 408776670 PWSHMSLUZZJTND-LICLKQGHSA-N 415.301 5.744 30 40 HKEB COc1cc(/C=N\c2ccc(Cl)cc2O)ccc1OCc1cccc(C(=O)O)c1 408821278 FNVRZRLNGPZEIG-MSXFZWOLSA-N 411.841 5.082 30 40 HKEB COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 408937152 IJLMOGTUOCXLKB-UWVSWQBNSA-N 414.936 6.926 30 40 HKEB CC/N=C1\S/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)N1CC 408998467 UNPMLWUBVOAMLG-BTRCZGFISA-N 403.551 5.310 30 40 HKEB C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409048879 UKOFOMGWHVJMKY-UHFFFAOYSA-N 418.320 5.259 30 40 HKEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C 409212785 REFJSVMCENBMBS-SRZZPIQSSA-N 421.132 5.591 30 40 HKEB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1C 409351271 SWXMVFUPZTYDEM-CIAFOILYSA-N 416.527 5.841 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(Br)c1 409391244 IHGMDXOLEBGGND-UHFFFAOYSA-N 406.279 5.319 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S[C@@H](C(=O)O)c1ccccc1 3078183 FURJYPMGAFGROE-XMMPIXPASA-N 422.509 6.205 30 40 HKEB COc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2cc3ccccc3o2)c1 3111530 AYYGMWCLPFVXNW-DQEYMECFSA-N 400.430 5.343 30 40 HKEB biogenic Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1 4107807 VNEOKJTWJWVQGW-HSHHTGOPSA-N 401.944 5.252 30 40 HKEB CCn1nc(C)c(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C 6490012 MLKUQGRBKYSZFA-VFNIESBHSA-N 418.585 5.557 30 40 HKEB C=CCSc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1 6651666 WJQWDJJOAPBHBQ-UHFFFAOYSA-N 411.430 5.347 30 40 HKEB N#Cc1ccc(Oc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)cc1 7736717 DBXKYYUYNORPKS-UHFFFAOYSA-N 406.470 6.084 30 40 HKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC(C)C 10119066 BJICAJOBDBRNSY-SSDVNMTOSA-N 411.727 5.022 30 40 HKEB COC(=O)c1ccc(CSc2nc(-c3cccs3)c3c(c2C#N)CCCC3)cc1 12138983 PJRNEQRXEFLBQB-UHFFFAOYSA-N 420.559 5.639 30 40 HKEB N#Cc1c(N)nc2c(sc3nc4c(cc32)CCC4)c1-c1ccc(Br)cc1 19798020 RVQZSVLRIFUBCA-UHFFFAOYSA-N 421.323 5.217 30 40 HKEB N#Cc1cccc(/C=C2/CN(C3CCCCC3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 58202024 PGAHWBBCRMUAMG-WJVNUPORSA-N 407.517 5.114 30 40 HKEB CCCCCCCCCCCCCCCCCc1nc(Cl)nc(Cl)c1Cl 73333438 RPACGXAKBLMJFX-UHFFFAOYSA-N 421.884 8.851 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 100104915 JOVXUTFDBDXDTC-WGARJPEWSA-N 417.534 5.690 30 40 HKEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)sc1C 102521194 LLPQAJWWARFNQC-GHNGSUTGSA-N 424.909 5.040 30 40 HKEB C=CCc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc(OCC)c1O 408847595 NRUQKTSCGBQYEM-WQRHYEAKSA-N 414.914 5.064 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 409215783 AUAWLTHRMVULDN-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C)cc2c1 887544 VTGBSPDYONDFTQ-UHFFFAOYSA-N 407.564 5.394 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c(OC)c1 2099238 KPHJBKZSBCMEBP-KSEXSDGBSA-N 422.864 5.552 30 40 HKEB biogenic C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3197204 LLYQEDGOPCITNH-UHFFFAOYSA-N 411.574 5.862 30 40 HKEB Cc1c(C#N)c(C23CC4CC(CC(C4)C2)C3)nc(C23CC4CC(CC(C4)C2)C3)c1C#N 4661757 JQJGEIFTLSVAHZ-UHFFFAOYSA-N 411.593 6.069 30 40 HKEB CCCCSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 5244626 MIMUTJSJPQDXND-UHFFFAOYSA-N 407.543 5.088 30 40 HKEB N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H]1CCCO1 6322931 KDSLPPZKGCOFQA-GOSISDBHSA-N 409.873 5.037 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1Br 8811679 JEBLFGRPOPZESK-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2cccs2)cc1 9009607 BKWVWYXLCFFOBU-XDHUDOTRSA-N 411.530 5.822 30 40 HKEB CC(=O)Nc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 16405626 OXSDDPZXDPLBKP-BILXGNRESA-N 402.494 5.069 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2 21722465 RMPYEOQXMGWZNB-XMMPIXPASA-N 404.510 6.068 30 40 HKEB CC(C)(C)[C@H]1CCC[C@H](/C(=N\Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O 33435774 OIFIHEIMRZQFOM-MBQYMCAJSA-N 423.504 6.172 30 40 HKEB Clc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 96193249 IMFNTNWMNWUHNE-BKHCZYBLSA-N 409.272 6.966 30 40 HKEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2cccc3ccccc23)C(=O)C1 100004745 WNMFUGGGXYQVAC-HSZRJFAPSA-N 418.533 5.699 30 40 HKEB CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 100392083 QWMVFYDGAIRDBM-UHFFFAOYSA-N 420.509 6.133 30 40 HKEB O=C1C=CC2=N[C@@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 102805395 SNOJHUGTPWMMOU-VMODYCNZSA-N 408.501 5.196 30 40 HKEB Cc1ccc(/N=C\C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)cc1 104225214 QOOPOBPUSJSGBW-WVGJAKOGSA-N 401.509 7.333 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(OCC)cc1 105756840 XJPJDVYJOHPBKU-LSDHQDQOSA-N 415.356 5.796 30 40 HKEB Cc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc(N2CCCC2)c1C 107811459 YECFSMRJWJEPQQ-MTDXEUNCSA-N 422.532 5.163 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1C 408911140 JAGHHRHOVBPLSF-OQNHBUHUSA-N 420.578 6.249 30 40 HKEB C=CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1Br 408977480 DQMBCNXMDYDPHF-UHFFFAOYSA-N 420.310 5.505 30 40 HKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409201375 MHQNGJPLHUDAFJ-AUEHGNIOSA-N 412.511 5.042 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc(Cl)cc1Cl 2053144 XFFMJSMEDIYHSR-OPEKNORGSA-N 415.707 7.514 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 2183210 AOMVEUTYLSRYMZ-OAHLLOKOSA-N 410.608 5.876 30 40 HKEB Cc1cccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)c3)nc12 3115268 IVFXFCRLMNOXAN-SSDVNMTOSA-N 418.365 5.076 30 40 HKEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1c(-c2ccccc2)n(C)c2ccccc21 3878741 XKNDOQYVKIKTTR-ZCVJKFOLSA-N 405.562 5.137 30 40 HKEB CCc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 4776162 LIUSTHULTOWTKO-UHFFFAOYSA-N 401.487 5.312 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O 4910549 KYIVCBSZTHGAHI-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccccc2)[C@H]2C[C@H]2c2ccc(OC)cc2)cc1 5527068 JCTNEVXAUVWPEL-KOYYFNRMSA-N 401.462 5.069 30 40 HKEB C=CCOc1ccc(CN(C)Cn2nc(-c3cccs3)n(C3CC3)c2=S)cc1 14186544 YEHAONAKQARUGX-UHFFFAOYSA-N 412.584 5.132 30 40 HKEB Cc1ccc2c(c1Br)/C(=N/c1ccc(Oc3ccccc3)cc1)C(=O)N2 18178130 QBFHBYIGCSODGK-UHFFFAOYSA-N 407.267 5.623 30 40 HKEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCCCC)c1 20672451 IXSSONSNHOTHQE-QHCPKHFHSA-N 417.509 5.233 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1OC 20737345 OKBHKNZQMBASTC-QVKFZJNVSA-N 422.506 5.020 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)cc(OCC)c1O 59249092 GTTIZTOCWRTZBM-MOSHPQCFSA-N 408.523 5.028 30 40 HKEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 100439784 ZXBSQTUOBKHKQB-YDJIHCHBSA-N 424.283 5.620 30 40 HKEB CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 102128961 MQYJBRIBYJJYCI-USZFVNFHSA-N 409.570 6.025 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO 103662010 WZUNUACWCJJERC-UHFFFAOYSA-N 400.644 6.172 30 40 HKEB CCCCCC(=O)/C=C/C[C@@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] 104144916 AEBLDRQVETTYBH-VUGUFIJQSA-N 410.555 5.217 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)C2=O 118916313 OCCYLBDLKHPVGI-DQAIDGSPSA-N 413.001 6.306 30 40 HKEB biogenic Clc1ccccc1COc1ccc(/C=N/Nc2ccccc2)cc1Br 408565814 ATERAOJUKPVOGA-YDZHTSKRSA-N 415.718 6.128 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408844251 BQGMIFGBBDDIRU-NXYZXBHKSA-N 408.929 6.710 30 40 HKEB C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br 409121067 XQFYYBPEFXPVQD-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1C 409248862 RUERBZCIMRAXPL-FYJGNVAPSA-N 421.953 5.948 30 40 HKEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(C)s3)cc12 409285337 NJGMFLIZUGNYQR-UHFFFAOYSA-N 415.474 5.070 30 40 HKEB N#Cc1ccc(-c2ccc(C=Nn3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 409404428 LHQMNOCRJQMHIH-UHFFFAOYSA-N 416.440 5.077 30 40 HKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 856592 QBSJFKJZZFWLNK-QMHKHESXSA-N 406.938 6.381 30 40 HKEB CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O 2219291 XIHYHVVFWMMUCK-JYAWBRCSSA-N 417.534 5.093 30 40 HKEB C=CCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 2344500 WQHWQEWBWUVPHC-UHFFFAOYSA-N 409.584 5.243 30 40 HKEB Clc1ccc(/C=N/Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 4813783 XOJOPEGZFWUWDA-ZVHZXABRSA-N 405.910 6.702 30 40 HKEB CC(C)(C)Oc1ccc(/C=C2/COC/C(=C\c3ccc(OC(C)(C)C)cc3)C2=O)cc1 12364996 LTXSTOFXPOZDAW-KBNZVFGVSA-N 420.549 6.108 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O 13549308 JCYPAOWAGIFTAP-FOKLQQMPSA-N 423.812 5.521 30 40 HKEB C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14760147 RLJJIYPLHFCLRD-INIZCTEOSA-N 422.477 5.374 30 40 HKEB biogenic,in-vitro COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1OC 19820520 MSDXBHYWEALJHX-UHFFFAOYSA-N 412.902 5.151 30 40 HKEB CCCCSc1nnc(/N=C(\O)c2sc3cc(F)ccc3c2Cl)s1 27748536 OXPLXPZCRPRRMO-UHFFFAOYSA-N 401.941 6.074 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1 35151619 JPRSNVKKGORQPW-QRQIAZFYSA-N 424.500 5.716 30 40 HKEB Cc1cc(-c2ccc(/N=C/c3ccccc3O)c(C)c2)ccc1/N=C\c1ccccc1O 96486885 BEDLGXJEYNEBOO-QCOHSWCKSA-N 420.512 6.883 30 40 HKEB CCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1 98001406 SYFFKDASVXWWGK-UHFFFAOYSA-N 416.650 7.246 30 40 HKEB biogenic Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2Cl)c1 102618843 QUUOEWIDBZYERS-JBCNATCCSA-N 403.865 5.275 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccccc1Br 103550817 KXINOPNBHPTVSF-UHFFFAOYSA-N 419.081 5.686 30 40 HKEB O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 408600558 DGRNQACCBBIKRK-ZDLGFXPLSA-N 416.836 5.770 30 40 HKEB Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(Br)c1 408846627 QWFGXODBYHNZKE-MTJSOVHGSA-N 418.132 6.061 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1C 408862212 GGLJDLOGGRDQFK-VUWMNBKMSA-N 420.578 6.186 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 408939505 STCYRRRJCWRQAG-DETXVDATSA-N 403.529 7.053 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1Cl 409117727 MJOWBEWMFJKLSZ-UHFFFAOYSA-N 423.940 6.277 30 40 HKEB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 409193367 JLLDAXRBDIWMMZ-BRJLIKDPSA-N 424.909 5.949 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 409203464 YDCAQEQATYHHGV-RWPZCVJISA-N 403.884 7.270 30 40 HKEB Clc1cccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 409203545 XTUBXQSRKGHOLS-VEILYXNESA-N 413.904 7.462 30 40 HKEB Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 409203587 YVGMTFNRRVGIRC-WGARJPEWSA-N 406.913 6.033 30 40 HKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1O 820468 JQLHWTABDNMADY-WYMPLXKRSA-N 412.276 5.773 30 40 HKEB O=C(/C=C/Sc1ccc(Cl)cc1)c1ccc(I)cc1 1041217 OHXNYLZMAGCSIL-MDZDMXLPSA-N 400.668 5.433 30 40 HKEB COc1cccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1 2016057 VMVKIDPOEOLUFS-AREMUKBSSA-N 424.585 5.084 30 40 HKEB biogenic,in-man Cc1sc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(C#N)c1C 2449069 KQNZLEZUVMYWCI-UHFFFAOYSA-N 400.459 5.262 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(C)cc1 2453888 MPKPEBGDMFTNDU-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB N#CC(Cc1cccc(Cl)c1)(Cc1cccc(Cl)c1)c1nc2ccccc2s1 3300861 ZTVLMUSWYPXXGV-UHFFFAOYSA-N 423.368 6.850 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCC3)c(OC)c1 4554193 ATBJPAMZOPYAKG-ZVHZXABRSA-N 406.507 5.257 30 40 HKEB Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)cc1 5682437 QOOPOBPUSJSGBW-LUJVFJMUSA-N 401.509 7.333 30 40 HKEB Cc1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)c(C)n1-c1ccc(Cl)cc1 5931844 VWIOIWMOVJETLW-ZMOGYAJESA-N 406.942 6.156 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(C)c1 8780996 HDTKCDXDKGMMLN-UDWIEESQSA-N 419.462 5.363 30 40 HKEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9579061 KXMGVFVJPNYJQG-AWEZNQCLSA-N 424.957 5.028 30 40 HKEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 16684002 ZKHYENNXSYTASY-SSDVNMTOSA-N 401.919 5.529 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C#N)C1 17090390 NGRLILXZILMQSO-CYBMUJFWSA-N 415.559 5.037 30 40 HKEB Cc1sc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C#N)c1C 17090977 QVSPAYIPYBVUHR-GQCTYLIASA-N 417.317 6.455 30 40 HKEB Clc1ccccc1CN1CCN(/N=C\c2ccc(OCc3ccccc3)cc2)CC1 19790545 HEKBRBDMBAWBPV-IMRQLAEWSA-N 419.956 5.071 30 40 HKEB CC1[C@@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@H]12 20792761 SOTMWCFQLUSXKP-HRLHRBDXSA-N 415.503 6.062 30 40 HKEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc2c(s1)CCCCC2 48263931 MQYXSCXNDWHBJZ-UHFFFAOYSA-N 403.507 5.637 30 40 HKEB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C 70664870 XKCSBVSQDYCBQX-QHGKGOKPSA-N 402.732 8.614 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 98001627 RUCRANXFIYJBTG-DQEYMECFSA-N 407.727 8.579 30 40 HKEB CCCCCCCCCCCCOC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 100037642 KVBTUIKKMVJZEF-QGZVFWFLSA-N 411.970 5.932 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/N[C@@H](C)c1ccccc1)C(=O)c1ccccc1-2 100289897 YZAYQFMDZYOZEE-CPOQMQJTSA-N 401.462 5.320 30 40 HKEB CC(=O)/C(=N/Nc1ccc(Br)cc1)Sc1cccc2cccnc12 100869620 CEYLDTRPOARDMD-PYCFMQQDSA-N 400.301 5.104 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 408780398 BYZNFIGEMDBNCE-FSJBWODESA-N 411.845 5.193 30 40 HKEB Cc1sc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C 408806927 BOVDXHOHPYZLAH-RPPGKUMJSA-N 403.938 6.644 30 40 HKEB O=C(O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408877426 RNNSFNKXXCUYCB-WBUAKJRLSA-N 424.497 5.461 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cc(C(=O)O)ccc3C)c2C)c1 408964603 CWWULBSERAWITO-QFEZKATASA-N 404.466 5.028 30 40 HKEB N#Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 1009915 NVWMSYVVTWBVIJ-UHFFFAOYSA-N 411.486 5.611 30 40 HKEB CC(C)(C)OC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 1757397 JSKYOFPBZDSNBL-UHFFFAOYSA-N 408.548 5.783 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C\c2ccc(C)o2)sc2c1CC[C@H](C)C2 4545646 NCZUAVTYTIFJAP-ARCFYCQJSA-N 408.523 5.786 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc23)C1=O 5092539 AJDWCAPTDNGUFZ-BUMUASTJSA-N 415.562 5.701 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5501526 CHHOATJWGHEUKL-UHFFFAOYSA-N 424.545 5.299 30 40 HKEB O=C(Nc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccco1 5569138 MQMAYMVGOOJSGQ-OEAKJJBVSA-N 401.378 5.451 30 40 HKEB O=C(Nc1cc(Cl)ccc1Cl)/C(=N\Nc1ccccc1)C(=O)c1ccccc1 13601781 KYFHFSDDSSLPNX-XHPQRKPJSA-N 412.276 5.283 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 18194736 IWKMBCQLLPUKNW-MOHJPFBDSA-N 410.473 5.095 30 40 HKEB CCCCCOc1ccccc1CN1C(=O)/C(=N\O)c2cc(Cl)cc(Cl)c21 46084886 LIPRQRFIHUKZRS-NKFKGCMQSA-N 407.297 5.288 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(C)cc1 59459528 YJBVBEUIGWQGSK-AYDYRGASSA-N 417.940 5.416 30 40 HKEB COCc1cc(C)nc(N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N 101349982 APGHDAMMUJQFAQ-ZMFRSBBQSA-N 408.546 5.155 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 102624557 GUDVMAICOPLWKQ-MRJHHRETSA-N 421.855 5.414 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1O 103583453 ITATUBKNXPCFOX-OYKKKHCWSA-N 406.507 5.344 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)NCc2ccco2)C1 409085047 WKULBANPOGUZQN-AKDVYYJXSA-N 420.578 6.173 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 409199340 BQHYQHWWZUOTTM-CVKSISIWSA-N 409.913 6.385 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 409215302 XCBCELBONQICRX-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409218946 YTFXHJVMVBRVML-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1cc(C)c(C=Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C(C)C 1530148632 CEGXWPWHARUFNA-SFHVURJKSA-N 408.611 6.962 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12 1440479 PBYQJWUIZBBSHV-QUGAMOGWSA-N 408.526 6.363 30 40 HKEB C[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2 2072914 BLTGNXYRKADYAR-SFHVURJKSA-N 410.583 6.245 30 40 HKEB O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1/N=C/c1ccc(Cl)cc1 3080000 ZJEAYDYMPMQWLW-NUGSKGIGSA-N 403.652 5.430 30 40 HKEB Cc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 3310574 ARAJNGIYSVZBQA-UZYVYHOESA-N 403.891 5.212 30 40 HKEB COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccccn1 4144520 DNEVVYMMTCAJNJ-SOFGYWHQSA-N 403.522 5.468 30 40 HKEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 4311510 DETGNODDQDDADK-UHFFFAOYSA-N 416.571 5.702 30 40 HKEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2c(C)noc2C)c1 7980483 VIZCNBHNEQGIED-UHFFFAOYSA-N 416.930 5.414 30 40 HKEB N#Cc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 9196959 VYFUSQKCMMSOLM-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC(C)C 9197497 QEVFZCTXBAEVDV-AUEPDCJTSA-N 415.748 5.956 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 9448713 YLMUENLGIWNELR-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 16196198 QAZIPEQYJZIOMQ-WQRHYEAKSA-N 417.939 5.319 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 16249735 KRLLQKBQADHBDF-CVKSISIWSA-N 419.594 6.230 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/N=C2\CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)cc1 17299526 CRBUWAZQXGYSMH-YDGLNERASA-N 414.509 6.283 30 40 HKEB CCN(CC)[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346422 HIQPKOZLCYDEFP-QHCPKHFHSA-N 416.569 6.006 30 40 HKEB CCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 100579764 JKBNCNUUVSDTMY-UHFFFAOYSA-N 400.632 7.758 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327158 ZSKNOALQPAXFMP-UHFFFAOYSA-N 404.076 5.669 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC 408936610 GYGBIYQDTOJHIR-UHTNZBAESA-N 410.517 6.281 30 40 HKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl 408944995 VQSHSSNFAJLHFF-SKKTVYBZSA-N 400.909 6.623 30 40 HKEB Clc1cccc(Cl)c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408979143 PAESJZHXFBYVKO-DHRITJCHSA-N 415.389 7.915 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc(C)cc1 409110999 ADUBXZGQCZQKRC-UHFFFAOYSA-N 401.550 6.540 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)OCC(=O)NC(C)(C)CO 2061000519 PSWQHNVCCHYZGI-UHFFFAOYSA-N 413.643 5.678 30 40 HKEB Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2cccc3ccccc23)c(C)c1 2199307 GIXWLNKBJJGFOB-GAWNTTMRSA-N 401.535 5.311 30 40 HKEB CCCCCCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2285136 JJXUYQHHOCPHSU-UHFFFAOYSA-N 415.541 5.246 30 40 HKEB COc1cccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 3766391 WUHHLYCHPAHQAW-WGOQTCKBSA-N 404.535 5.316 30 40 HKEB O=C(c1ccccc1)N(C/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 4235302 PGLQRKPDIJFEAM-UHFFFAOYSA-N 405.501 6.176 30 40 HKEB biogenic CN(C)c1ccc(/C=N/c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)cc1 5319347 LWZIHSFJDJCOMQ-UXHLAJHPSA-N 400.525 6.490 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(C)cc1 5500853 SNWCENFVRMOSDF-UHFFFAOYSA-N 420.582 5.468 30 40 HKEB COc1ccc(/C=C(/C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1O 5696225 OCEJCIROQIBDKQ-ATVHPVEESA-N 404.853 5.354 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 6187055 FUHRJVVISSICTD-NRFANRHFSA-N 422.481 5.062 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C2\C=C(c3ccccc3)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 6575739 PAZRWZCIHGKQQI-DABWLCNRSA-N 414.421 5.542 30 40 HKEB Cc1c(Cl)cccc1/N=C1\S[C@@H](COc2cccc3ccccc23)CN1C(C)C 7699106 ZBRIEHBDDULGFY-WJHCFOETSA-N 424.997 6.694 30 40 HKEB C[C@@H](Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N)c1ccccc1 8654623 RFGNFOXFNRWPIH-OAHLLOKOSA-N 419.868 6.212 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)O2 18197137 RIIRGVOOOZCJGA-JOCHJYFZSA-N 404.897 5.425 30 40 HKEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2cccs2)[C@@H]1c1cccs1 19817758 ICTVRHKXLLEAPK-VWPQPMDRSA-N 413.527 5.219 30 40 HKEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)ccc1OCCC(C)C 20797170 DOMWUDZDRMCXKM-DEOSSOPVSA-N 419.525 5.348 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 102612744 MNHGMOPQHDUKSV-ZHHPLPSFSA-N 420.553 5.063 30 40 HKEB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617616 YRJDKDJYIUMOKX-MSCRTZCLSA-N 420.593 5.354 30 40 HKEB CCc1ccc2oc(-c3cc(N=Cc4cc(Cl)cc(OC)c4O)ccc3O)nc2c1 254289491 FPWMMTMMCDBFNV-UHFFFAOYSA-N 422.868 5.881 30 40 HKEB COc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1Cl 409063471 LKFVXSPWSQDQSP-FSJBWODESA-N 410.930 5.812 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1C 1055709 MYJKXJCZJWCBNU-BHGWPJFGSA-N 415.405 5.499 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 3112634 KGXVLMMUDSDCIB-ZVHZXABRSA-N 408.295 6.036 30 40 HKEB Cc1cccn2c(=O)c(/C=N/[C@@H](C)c3ccccc3)c(N[C@@H](C)c3ccccc3)nc12 3652361 SXHRDXKEEZZFIP-UIOKYTMNSA-N 410.521 5.356 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1C#N 5128107 IAKJOOVQSRBKQU-YSURURNPSA-N 415.280 5.421 30 40 HKEB O=C(/C=C/c1cccc(O)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 5323903 ZJJFHHVSGGRMDH-FMIVXFBMSA-N 401.849 5.450 30 40 HKEB O=[N+]([O-])c1ccc(C[P+](c2ccccc2)(N2CCCCC2)N2CCCCC2)cc1 5947903 CZXBXYSVNGLSSW-UHFFFAOYSA-N 412.494 5.240 30 40 HKEB C[C@@H](NC(=O)CO/N=C/c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 6048466 PKHHXXVDFNXIHW-BHAQKJFASA-N 409.357 5.065 30 40 HKEB COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1C1CCCCC1 6608313 NLPYHLGGFAOIHE-HXUWFJFHSA-N 418.566 5.686 30 40 HKEB COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(OCC#N)cc23)cc1 6759414 BKSLMRBMUUNPDM-SLEBQGDGSA-N 412.445 5.252 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(C(F)(F)F)c3)c12 8026420 MQCXWHLDZPQXTF-VAWYXSNFSA-N 409.411 5.698 30 40 HKEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(C)cc1 9232248 URDBQMNNNDMZOX-UHFFFAOYSA-N 413.429 5.077 30 40 HKEB C[C@@](Cc1nc2ccccc2s1)(C(=O)OCc1ccc(C#N)cc1)c1ccccc1 13150382 RGMNTPXBIOOJMY-VWLOTQADSA-N 412.514 5.412 30 40 HKEB O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N\c1ccc(Br)cc1 13302352 DTGFUEZJGQAXDJ-RELWKKBWSA-N 420.738 6.241 30 40 HKEB C[C@H]1CN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)C[C@@H](C)O1 16778830 PYGNXTJURVVWHJ-IYBDPMFKSA-N 423.900 5.059 30 40 HKEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1 19682478 MMJFUDYLDXSUCS-IMRQLAEWSA-N 401.941 5.452 30 40 HKEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 20672576 FXIIWRSSNQNNOW-VWLOTQADSA-N 409.489 5.493 30 40 HKEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 27391801 FFNJKBUGSWUBIW-UHFFFAOYSA-N 402.519 5.147 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2s1 72228586 SZFPCTVEOYTLGX-UHFFFAOYSA-N 408.571 6.271 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1cc(C)ccc1C 100505587 DVZZBEGQNABMEQ-ZCGWOIPMSA-N 409.580 5.688 30 40 HKEB CC1[C@@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@H]12 102668740 SOTMWCFQLUSXKP-DHDFEYNSSA-N 415.503 6.062 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OCC)cc1 224585236 FUBSYMPANLZVRF-UHFFFAOYSA-N 409.507 5.259 30 40 HKEB C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccs1 225135115 WUNWEGSJBVTAIL-UHFFFAOYSA-N 413.608 5.597 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764595 NGWHJQCYIGWUMS-KRWDZBQOSA-N 410.945 6.230 30 40 HKEB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497820 GQZPOAUVKZAMQR-NFRXGOHGSA-N 406.610 7.081 30 40 HKEB C=C1CC[C@H]2[C@H](OC)c3cc(Br)ccc3O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C 257329612 XKSNPSKVOXSZRW-CPHWIANGSA-N 419.403 6.696 30 40 HKEB C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 263592866 APTGJECXMIKIET-JOOMPNRTSA-N 410.598 6.014 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S1 408781190 AKTVHUYQLNDMTI-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408858692 KTDMJQQQQZMYKI-NDENLUEZSA-N 408.910 5.702 30 40 HKEB Cc1ccc(C(=O)Oc2cccc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2)cc1 408881201 KCLPCCFPTDBJMJ-QNGOZBTKSA-N 414.486 5.106 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 408912248 QCMCEFGRWHCWLL-FOKLQQMPSA-N 411.845 5.413 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408955086 VYYBYHOJXATJJQ-UYRXBGFRSA-N 409.898 5.031 30 40 HKEB O=C1C(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)c2ccccc21 408996242 GZHMPFHJJPJLKR-UHFFFAOYSA-N 411.276 5.656 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1F 409111615 DMNSGWGALMFYOD-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB Cc1ccc(COc2c(Cl)cc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 409208160 BMPBSPLBYBTOCE-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB C=CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br 409212624 RAVVEKLDDCCLSR-CIAFOILYSA-N 423.148 6.089 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 2356839 OXKNAMRICBQTMP-MRXNPFEDSA-N 404.601 5.339 30 40 HKEB CCc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2 4554188 HHBAPGXGXVYSJP-CVKSISIWSA-N 406.526 6.331 30 40 HKEB Fc1ccccc1Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 4712067 OWRNOUCFDDWVBX-OGLMXYFKSA-N 413.496 5.416 30 40 HKEB Cc1cc(/C=C2\Sc3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1 5330553 FKBZDOMSFYILAX-NDENLUEZSA-N 410.336 6.186 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O 6439484 IPZZULVEXFHXIH-LGJNPRDNSA-N 420.896 6.620 30 40 HKEB Cc1ccc2[nH]c(CSc3nc(-c4ccco4)cc(C(F)(F)F)c3C#N)nc2c1 8442100 CDEFFERWONZFLH-UHFFFAOYSA-N 414.412 5.709 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3F)c(C#N)c(C(F)(F)F)c2C1 8991970 SBOOABJEUAJZLT-CQSZACIVSA-N 422.491 6.554 30 40 HKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9419175 BEAFWONGRDFYCU-NVMNQCDNSA-N 406.265 5.450 30 40 HKEB Clc1ccc(CN/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 10118871 UOHIJDBLWKNBII-MZJWZYIUSA-N 408.332 6.120 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1cccs1 15826333 WUVFWRRKSPEQQK-VWLOTQADSA-N 414.574 6.565 30 40 HKEB C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)NCc3ccco3)c2c1 22699064 YZZPDKVTOXIWBY-UHFFFAOYSA-N 417.461 5.586 30 40 HKEB biogenic Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c(C)c1 33301479 PIZVGVHULWZVHV-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC(=O)NCCOP(=O)(O)O 38153251 BCSUWOZFWWBYSX-KTKRTIGZSA-N 405.516 5.249 30 40 HKEB in-vitro COc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@@](C)(c2ccccc2)CC3(C)C)cc1 100117609 HBVAGNDQLFFJLE-TZAZENOZSA-N 410.517 5.651 30 40 HKEB Cc1cc(C)c(-c2cs/c(=N/C(C)C)n2/N=C/c2ccc3c(c2)OCCO3)cc1C 105762503 FXOXOSZUFSWNKM-WLTQAQMASA-N 421.566 5.104 30 40 HKEB COc1ccc(/C=C2\CCc3c2c(C#N)c(N)c(C#N)c3-c2ccc(OC)cc2)cc1 226758135 WQOGXFLNVONJFD-QGOAFFKASA-N 407.473 5.183 30 40 HKEB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\Nc2ccccc2)c1Cl 408813996 GLTKEEPCTSMGHE-FMCGGJTJSA-N 418.280 5.953 30 40 HKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@H](C)CC)C1=O 408910634 IUHYIYKSBYEPAN-KDNQEJAHSA-N 408.567 6.186 30 40 HKEB CCN(CC)c1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 408914806 ZAPWSHVSRANMAU-JLPGSUDCSA-N 405.502 5.295 30 40 HKEB COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O 408916950 JJBDCLVHCVDNFP-AQWOHROKSA-N 424.909 5.746 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1Cc1ccccc1 409108646 XWJBNAYWIPQCHI-BRJLIKDPSA-N 416.403 5.526 30 40 HKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)c2ccccc21 409201191 OEQCUOKVSLBXAS-UDWIEESQSA-N 401.535 5.551 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409203417 XAHAKRRIWKOVFH-WSDLNYQXSA-N 411.801 6.008 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(O)c(Br)c1 409214926 ZREGOLQRZZSMHI-CNHKJKLMSA-N 403.501 5.630 30 40 HKEB Clc1ccccc1COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 409215707 ADAFMVXBAVBTKJ-VEILYXNESA-N 413.904 7.462 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1Cl 409216894 POXAIUMDUBDRKN-DHRITJCHSA-N 413.304 6.070 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2441035 DQAWLLARHNGFGB-UHFFFAOYSA-N 402.910 5.752 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Cl 3298088 DIWVEQOVHSNTRS-OYFYCZIRSA-N 415.902 5.223 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(OC)c1 5418392 QTLHOZNVOHASAB-GXDHUFHOSA-N 401.462 5.161 30 40 HKEB O=C(/C(Br)=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 5948019 ZXILUZQXSIDEMU-ZHZULCJRSA-N 408.251 5.881 30 40 HKEB CCOc1ccc(-c2nc(-c3cn(CCC#N)c4ccccc34)cs2)cc1OC 7777469 UTENNXWAUIWQAB-UHFFFAOYSA-N 403.507 5.753 30 40 HKEB O=C(O/N=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 8673015 MLQFPSXUTRRBMB-UUYOSTAYSA-N 422.268 5.083 30 40 HKEB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1(C#N)CCCCC1 12523336 KAJIAPBFQYXVBA-QGZVFWFLSA-N 418.566 5.030 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1OC 20727457 OQJYOYVSSOOVDU-RCDICMHDSA-N 422.506 5.020 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623200 PBMCASAKSGJYMG-UHFFFAOYSA-N 415.424 5.360 30 40 HKEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)NC1CCCCC1 100055547 SQASBVSZMYPQGA-UCQKPKSFSA-N 415.331 5.027 30 40 HKEB CCCCCCCCC/C=C/C[C@@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)O 100944201 YIKXAXNDRMHXGG-GNNUASRNSA-N 401.591 6.926 30 40 HKEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)c(C)n1 118916008 ZXGJYVCSCCHJLY-SSWWDOPFSA-N 410.602 5.177 30 40 HKEB CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N\c1ccccc1 208449329 HFYZNHSQJURUOB-SHSCQTOKSA-N 417.578 5.942 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc(Br)cc3)o2)c1 408596509 ZUXODYBLJVUCIF-JAIQZWGSSA-N 401.216 5.168 30 40 HKEB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc23)S/C1=N\c1ccccc1 408912438 QKGHUIJQBMIRGU-OBUXZSPNSA-N 416.546 6.253 30 40 HKEB CC/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)N1CC 408929950 QBAPBENAVXMLEY-VBJFXANNSA-N 421.541 5.449 30 40 HKEB Clc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 408931777 QDNBALGFQMWYCM-YZSQISJMSA-N 406.913 5.506 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 408949972 CVBQNVIMEZELMU-MOSHPQCFSA-N 423.925 5.339 30 40 HKEB Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1C 409199496 DUFJFBGQLUYRBX-ZMFRSBBQSA-N 414.383 6.773 30 40 HKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 676804 NEYVEJUKPTULDV-HFJWLAOPSA-N 414.480 5.814 30 40 HKEB C=C(C)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 1246703 JJXJLKXCUAJBCO-UHFFFAOYSA-N 423.611 5.633 30 40 HKEB CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCC3 2285061 IIYUHYLWLPLDQW-UHFFFAOYSA-N 412.624 6.307 30 40 HKEB C=CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655453 YFLJHJIJGOFQKL-UHFFFAOYSA-N 411.457 5.789 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)NC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 4029989 HDKCEXUWUBHFTM-CWMWJYQDSA-N 414.634 5.579 30 40 HKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 4081757 GRBHNQFQFHLCHO-MUZFUWECSA-N 424.713 8.233 30 40 HKEB biogenic Cc1cc2c(cc1/C=C1\S/C(=N/c3ccccc3)N(C3CCCCC3)C1=O)OCO2 4649287 PSOXVNDYIWEJIW-FRODBLILSA-N 420.534 5.660 30 40 HKEB COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(/N=C/c4ccc(OC)cc4)cc1)(C3)C2 6170363 OHPGPIVECXMRPO-BWEXQUHYSA-N 403.522 5.457 30 40 HKEB N#C[C@H](c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8670526 MEUVBYOWCXHDLY-GFCCVEGCSA-N 415.724 5.976 30 40 HKEB Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1Cl 14134278 FTNLRPZJRBHNRI-VULFUBBASA-N 413.912 5.974 30 40 HKEB CCCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 16637176 NBQBFYWGWWDGIP-LSHDLFTRSA-N 423.738 5.914 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCCCC3)n2)cc1 96346419 ZMNRIDFPVPUMKY-UHFFFAOYSA-N 421.488 5.226 30 40 HKEB CCCCCCCc1ccc(-c2nnc(C3CCC(CCCCCC)CC3)o2)cc1 98045629 ZMGNFGKRFOQEIF-UHFFFAOYSA-N 410.646 8.494 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)ccc1Br 197801616 SWYAZOQCPYYNRB-VULFUBBASA-N 418.338 6.464 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@@H](C)CC1(C)C 223534389 WYRGMSFLWURJGU-MNAFEPAFSA-N 423.557 5.829 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 408673810 VPCKPTFSRPGULV-QFIPXVFZSA-N 402.579 5.455 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 408931499 MJRBPMBMPMDPTD-MWLSYYOVSA-N 420.434 6.884 30 40 HKEB N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccc(F)cc2)c2ccccc12 408978766 JXZYDLVMUIKXMS-UHFFFAOYSA-N 418.475 6.012 30 40 HKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(Cl)cc1 409089226 YXNBVIUXTFMNIO-NDENLUEZSA-N 411.885 5.362 30 40 HKEB C=CCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OC 409120451 ZOOVKTCEIVWFCB-UHFFFAOYSA-N 423.294 5.094 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409212206 QBLIEYQYENRQMT-ZVHZXABRSA-N 423.310 5.526 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccccc1 409216370 KLENTIVXWGMZAP-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC1CCCC1 679313 PDXGRPRDSCTVIE-UHFFFAOYSA-N 408.494 5.145 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 1194207 FYTJXKFXHQJBOO-PDGQHHTCSA-N 401.940 5.306 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1sc(Cl)cc1Cl 1434540 SBBDGIPSNGVLON-MRXNPFEDSA-N 414.354 5.222 30 40 HKEB C=CCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1832626 KJGUKDTWCKMISE-UHFFFAOYSA-N 409.536 5.629 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(Br)cc1 3128239 UTQPLZRTHYAMPX-UHFFFAOYSA-N 401.716 6.187 30 40 HKEB C(=N/c1cc2c(cc1CCc1ccccc1)C[C@@H](c1ccccc1)N2)\c1ccccc1 4235259 QBYUHOMJKCZKQO-PYRNPVBESA-N 402.541 6.932 30 40 HKEB O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 16493352 VUWOZSCMUUWPCQ-KHPPLWFESA-N 402.338 6.061 30 40 HKEB Cc1cc(Cl)ccc1OCc1cc(-c2c(C#N)c(N)nc3c2CCCC3)sc1C 19841759 WHWCCEPOZXXTDR-UHFFFAOYSA-N 423.969 5.992 30 40 HKEB CC1(C)CCC[C@](C)(C#CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)O1 19938809 AUSVTMCFJKIUCU-MUUNZHRXSA-N 416.609 5.135 30 40 HKEB N#C[C@]1(C(=O)c2ccc(Cl)cc2)Cc2cc3ccccc3nc2N2CCCC[C@H]21 34889422 BCCSYYNPYNJQAW-XUZZJYLKSA-N 401.897 5.196 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 97954427 RYYXDGLYWFTLLQ-FQEVSTJZSA-N 419.569 5.926 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 208449761 NVANMWWTLDPJSJ-TWDJDDHFSA-N 417.578 5.861 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1cc(C)ccc1C 408910862 LVYPCYZSXFUKFP-HUOZHCEOSA-N 416.546 6.089 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 409017143 KOPCCNIGWMGZJK-JAIQZWGSSA-N 420.877 5.708 30 40 HKEB C=CCOc1c(CC=C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 409068462 RNSCXLLPTXIBIZ-CJLVFECKSA-N 402.494 5.185 30 40 HKEB Cc1ccc2sc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)nc2c1 671550 BTHWULUBNSAVAO-FOKLQQMPSA-N 417.446 5.659 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 3115258 DCFWWOWINVXFKM-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB CC(C)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 4086996 PIOTXRMKBLUYEG-UHFFFAOYSA-N 415.562 5.157 30 40 HKEB CC[C@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=S)NCCc1ccccc1 6083267 YZHJVGMUUYGAEQ-FGLUDEAJSA-N 404.004 5.272 30 40 HKEB COc1cccc(C(=O)/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 6841805 TZYSDJJQYRYSJF-XYOKQWHBSA-N 405.475 5.959 30 40 HKEB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 7781701 FDNGZAIOYKCAJI-GOSISDBHSA-N 416.546 5.659 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c(Cl)c1 9195683 CXCVOHNVKJKFAY-LSFURLLWSA-N 424.671 5.939 30 40 HKEB N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 12563906 DSIBWYVCGJEDHG-UHFFFAOYSA-N 410.502 5.346 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)o1 13778605 VJTWMCLDELDVIJ-HMAPJEAMSA-N 402.446 5.721 30 40 HKEB CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1 16735764 LPHIUZRNJOJTPB-DEOSSOPVSA-N 411.501 5.336 30 40 HKEB CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)[C@@H](C(=O)O)C1 17088048 ZZRSVDNKCRYOFK-MSOLQXFVSA-N 408.523 5.289 30 40 HKEB Cc1cccc(NC(=O)c2sc3c(c2C)[C@H](c2ccc(C#N)cc2)CC(O)=N3)c1 32104115 WRULWOUIKJZYPE-SFHVURJKSA-N 401.491 5.613 30 40 HKEB CCCCCCC[C@H]1[C@@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@H]1O 98009110 IUVNAZXEDLWMKH-VEYUFSJPSA-N 411.586 5.817 30 40 HKEB O=C(Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1cc2ccccc2o1 98086858 NKSDTAYNTBGVKV-JVWAILMASA-N 406.441 6.295 30 40 HKEB CCCCCCCCC(=O)OC[C@@H](C)OC[C@H](C)OC(=O)CCCCCCCC 100050303 FJSNTQXNQNSZJS-YADHBBJMSA-N 414.627 6.368 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214455548 KTNDYXUTVKDLLT-VCHYOVAHSA-N 420.317 5.795 30 40 HKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 225920362 BHBOXZAOFAGLOF-UHFFFAOYSA-N 421.468 5.234 30 40 HKEB COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 254485196 JFVNGLBPVMODMQ-NZBFAAGASA-N 415.474 5.061 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c(OC)c1 408802820 HURWUQIVZOOVJJ-QFEZKATASA-N 424.884 5.125 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)s2)cc1 409023345 KRZLHXAXWIYZLU-PCLIKHOPSA-N 420.990 8.047 30 40 HKEB Cc1ccc2c(c1)/C(=C1/S/C(=N/c3ccccc3)N(C3CCCCC3)C1=O)C(=O)N2 409114620 HSVGDXBQQOYOPI-ODAPSEPPSA-N 417.534 5.254 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccccc1F 409115683 SUWIELXJSMTGGO-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB C=C(C)COc1c(Cl)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC 997544 UKLLXFMSJYALAS-ZDLGFXPLSA-N 415.848 5.177 30 40 HKEB Cc1sc(/N=C/c2cc(Br)cc(Br)c2O)c(C#N)c1C 1052226 DYBZZECENNCFTJ-NGYBGAFCSA-N 414.122 5.218 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccc(F)cc2)cc1 1461566 PVQMZRZNJPODHU-AFMDSPMNSA-N 423.491 5.900 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 1849451 NKYLDHDEMZHXRN-YSURURNPSA-N 403.231 6.069 30 40 HKEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2ccccc2Br)c1 3281503 VORSNEDLPSDDEK-QOCHGBHMSA-N 417.372 5.721 30 40 HKEB CC(C)(C)c1cc(/C=N/Nc2nncc(-c3ccccc3)n2)cc(C(C)(C)C)c1O 4476773 NUYSZUPQBIXCFG-AFUMVMLFSA-N 403.530 5.285 30 40 HKEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1 9177576 JSPCXERLNQUOND-NRFANRHFSA-N 419.864 5.132 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1F 9185579 SYCRADZJNYWEPB-JAIQZWGSSA-N 412.775 5.454 30 40 HKEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 9296707 PVLOUOKJZHXPQW-WOJGMQOQSA-N 424.865 5.190 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)cc2C)cs1)c1ccc(F)cc1F 12977228 GWJLZDOFHUWDFW-RMKNXTFCSA-N 412.461 5.619 30 40 HKEB CC(C)(C)c1ccnc(/N=C2\N/C(=N\c3cc(C(C)(C)C)ccn3)c3ccccc32)c1 17108114 JZRXHWFKTAXBHI-UHFFFAOYSA-N 411.553 5.831 30 40 HKEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 224996163 IIPCITPMCAKKEZ-UHFFFAOYSA-N 403.569 5.111 30 40 HKEB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497824 ISQVBKWANUTMNE-NTMJCCISSA-N 408.582 5.661 30 40 HKEB biogenic C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C)c1C 408560984 SSFVUUSPKNLAEI-UHFFFAOYSA-N 400.592 5.325 30 40 HKEB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C#N)cc3)C2=O)cc1 408765255 OQCRFMSVAZBCSK-ZHZULCJRSA-N 412.876 5.692 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1O 408863224 MEQFZKCNBZXUEO-PXNMLYILSA-N 423.321 5.298 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408964609 CXGLBKGUXMTKIP-MXAYSNPKSA-N 424.884 5.373 30 40 HKEB CCn1c(C)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 409380222 KVQDGOXMRCBBHT-JFLMPSFJSA-N 409.445 6.705 30 40 HKEB O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1cccc(C(F)(F)F)c1 1384874 HLNUYBFOLXFRKG-WYMPLXKRSA-N 415.396 5.273 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 2161818 FAFUPNYEVOXTSV-WQRHYEAKSA-N 403.862 5.280 30 40 HKEB C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C(CC)(CC)Cc1ccccc1-2 2183417 ZONFCYGVXMEYNC-UHFFFAOYSA-N 416.590 5.851 30 40 HKEB Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)cc1 2447007 OBENSEPJBWZJMO-UHFFFAOYSA-N 416.937 6.060 30 40 HKEB C/C(=C\c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C)C(=O)C[C@H]1c1ccccc1 4771304 KTKAAPOLGAVYOZ-UVOCBHHSSA-N 408.541 6.452 30 40 HKEB O=C1C[C@@H](/C=C/c2ccccc2)CC2=C1[C@H](c1ccccc1)n1c(nc3ccccc31)N2 7496060 YJXKXDKFSJBKOM-IQAHQBQRSA-N 417.512 5.998 30 40 HKEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)C(c1ccccc1)c1ccccc1 14359740 NMHCDHDKYOHGLG-RFBIWTDZSA-N 414.574 5.729 30 40 HKEB CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 33567463 ZRTBQIULPYUWAF-WBILBPDKSA-N 422.598 5.796 30 40 HKEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CSc5ccccc5)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 38632911 ZTHICPNHMULZDY-AYEIPMSGSA-N 424.650 6.432 30 40 HKEB in-vitro Oc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59248301 KRRWUWIYPMVBSB-KEBDBYFISA-N 408.704 6.303 30 40 HKEB CCCOc1cccc(C(=O)Nc2c(C)cc3nc(N/N=C(/C)CC)sc3c2C)c1 72228694 YZQAEGFIRMJOGC-YSMPRRRNSA-N 424.570 6.152 30 40 HKEB C/C(=N\c1cccc2cccc(N)c12)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370395 YCXCWUSFDCPDAS-STBIYBPSSA-N 419.484 5.572 30 40 HKEB CCCCCCCCCCN[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 100933156 MUKWWTKMWZZTOR-DEOSSOPVSA-N 415.618 6.491 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C#N)c1C 107922390 QIQKNPSCDRZDCY-UHFFFAOYSA-N 408.479 5.234 30 40 HKEB CO[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 118928716 NNHCLKKAJULNME-WXAGPPMTSA-N 414.674 7.222 30 40 HKEB C=CCOc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408576456 UZUPMVJQKAIXGB-HAVVHWLPSA-N 400.434 5.339 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 408669985 HTAVVVLCKZXURK-UHFFFAOYSA-N 420.553 6.347 30 40 HKEB Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 408721494 RSBPPVCZYKRWMZ-UFFVCSGVSA-N 400.663 5.761 30 40 HKEB O=C(/C=C/c1ccccc1[N+](=O)[O-])C(C(=O)c1ccccc1)=C1SCCCS1 701931 PDQGXAVCVIMOPH-VAWYXSNFSA-N 411.504 5.142 30 40 HKEB C(=N/c1c(-c2ccco2)nc2ccccn12)\c1cn(Cc2ccccc2)c2ccccc12 714767 JUBBTURZTXMENH-OGLMXYFKSA-N 416.484 6.348 30 40 HKEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O 883197 VISZTGLDVPKYOK-QYBDOPJKSA-N 412.489 5.380 30 40 HKEB N#Cc1nc(COc2ccccc2Cl)oc1N1CCC(Cc2ccccc2)CC1 934557 ZMYZZDQXCWSHOB-UHFFFAOYSA-N 407.901 5.238 30 40 HKEB Cc1cc(C)c2oc(-c3ccc(C)c(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc2c1 1884445 GSFZEDWCVUNQOY-WYMPLXKRSA-N 401.422 5.784 30 40 HKEB COc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 2452395 HPCMTNUERKPNRM-NVNXTCNLSA-N 412.820 5.259 30 40 HKEB N#CCSc1sc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1-c1ccccc1 4014216 PFCBJSADTDTJNR-UHFFFAOYSA-N 409.923 5.808 30 40 HKEB aggregator Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 6504653 OKBNCNMPNHWOPW-AWEZNQCLSA-N 411.596 5.206 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccoc1C 6600751 WXJOUCHNZOPVFK-UHFFFAOYSA-N 415.518 5.675 30 40 HKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 8812000 QTVIJEUIWATMCS-VULFUBBASA-N 418.884 5.375 30 40 HKEB Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)c1C 12601319 AMCFOVDHYZUZLY-QKKHUYDQSA-N 419.500 6.226 30 40 HKEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 13018042 MHTKVFSKYBQJCQ-UHFFFAOYSA-N 422.916 5.431 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 13119726 JSKDZTNSHHRELF-WQRHYEAKSA-N 424.909 5.365 30 40 HKEB CCOP(=O)(N/C(=N\[C@@H](C)c1ccccc1)N[C@H](C)c1ccccc1)OCC 13136373 RWGSNFKLDMHYDQ-HDICACEKSA-N 403.463 5.225 30 40 HKEB O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N/OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 29764074 VVKZNKQTINUECC-AEWZPABSSA-N 421.812 5.526 30 40 HKEB N#Cc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 32616762 NGTDJVCZLYKGJB-UHFFFAOYSA-N 419.709 6.856 30 40 HKEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59679051 MRTXIIAEITVJIZ-WYMPLXKRSA-N 409.873 5.155 30 40 HKEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)c1 83309905 HFISDUSVFDTMSJ-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB CCCCCCCCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 100863964 UTWNBSMAOHVOMY-DEOSSOPVSA-N 418.669 8.527 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@H]1CCCO1 104260110 MQOCPPQDMPIRFU-LOSJGSFVSA-N 410.683 8.139 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2CC(C)C)cc1 408909488 DEKFFGLNQNKLET-UBFHDEFQSA-N 419.377 6.562 30 40 HKEB CCc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 408913453 UUIFHFOVFYIUSS-LPYMAVHISA-N 400.341 6.815 30 40 HKEB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)cc1 408997867 OPEUATCDJQGDOW-SSDVNMTOSA-N 423.321 5.124 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 409083639 TYTROGDVJKCGEL-RSXNERHXSA-N 400.931 5.609 30 40 HKEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1C 409095968 IXOJIUHSDZMMMD-NSKAYECMSA-N 406.839 5.916 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 409201932 PFERQMVDZZGDFS-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB Cc1c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cccc1C(F)(F)F 575242951 ODFRVTZNIOHXLJ-UHFFFAOYSA-N 406.166 5.665 30 40 HKEB CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N 3105309 KHEFFNRAPMSKHX-UHFFFAOYSA-N 401.318 5.464 30 40 HKEB Clc1ccc(-c2ccc(/C=N/Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1 4587310 PMWKJCOFVTXZEM-FOKLQQMPSA-N 410.264 5.551 30 40 HKEB CC(=O)O[C@@]1(C(C)=O)[C@H](C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5672970 QOMMDSDNBQTOBX-MGCQRVLYSA-N 400.559 5.045 30 40 HKEB CC(=O)O[C@@]1(C(C)=O)[C@@H](C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5676373 QOMMDSDNBQTOBX-VUMUMLGMSA-N 400.559 5.045 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(OCC)c1O 8363004 KDQDSKSSAGTICC-LPCFMYKTSA-N 422.550 5.452 30 40 HKEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cc(C)ccc1C 12603361 XQROLLPMFWAQNX-YQGQAXFOSA-N 400.345 5.009 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2/C=C\c1ccccc1[N+](=O)[O-] 18196660 WCHMGBSHIVUKNC-QYQIINSRSA-N 424.500 6.398 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)n1ncnc1N2 18197323 ZWFIJMCBLKBUTP-VOJFVSQTSA-N 417.321 5.062 30 40 HKEB CC(=O)Nc1sc(N/N=C\c2ccc(Cl)cc2Cl)nc1-c1ccccc1 26533070 RPRKKRXTXMCCKB-FBHDLOMBSA-N 405.310 5.521 30 40 HKEB O=C(CO/N=C\c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1 34794686 VURRKAVKWUHPPG-MXAYSNPKSA-N 412.848 5.047 30 40 HKEB CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl 59105862 KMXSBAIESHCABC-OQLLNIDSSA-N 411.285 5.423 30 40 HKEB CCCCc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 59500987 JGKQSZOQVYWGGQ-HSZRJFAPSA-N 413.473 5.256 30 40 HKEB CCCCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 101333208 VZJRFNPTRKJTAC-GOSISDBHSA-N 407.813 6.360 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 102568168 ZYTFPGWCGWNGSW-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102634473 UFFPJNLAWXTYOJ-PTRHGPIFSA-N 411.542 5.268 30 40 HKEB CO/N=C1\CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118928889 CHNBWGCZJBZRBU-MQDASKKDSA-N 415.706 8.110 30 40 HKEB O=C(Oc1ccccc1/C=N/c1ccccc1F)c1sc2ccccc2c1Cl 408734286 WHQJILNYUAKCQR-DHRITJCHSA-N 409.869 6.664 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Sc4ncccn4)o3)c2C#N)C1 409101214 WJFUDZFQHIEVBT-JUCPORTRSA-N 422.579 6.056 30 40 HKEB Cc1cc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)ccc1Br 409203755 XUKKIYQULLEBSW-YDZHTSKRSA-N 410.315 5.310 30 40 HKEB CC/N=C1\S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1CC 409228797 FJVBTZHOFJJAPN-LISDSOCTSA-N 407.514 5.141 30 40 HKEB COc1cccc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1O[C@H](C)C(=O)O 409242046 PXNGWDZEDLFAFC-SCELWYEFSA-N 405.450 5.398 30 40 HKEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1C 409292881 IOEQCCIBTMADKS-UHFFFAOYSA-N 409.445 5.009 30 40 HKEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2[N+](=O)[O-])cc1 1424889 IDABCGWWJUEHRP-YDZHTSKRSA-N 410.813 5.227 30 40 HKEB C=CCc1c(C)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c1C 2204696 MJNJPQOUCHXIHT-UHFFFAOYSA-N 401.329 5.217 30 40 HKEB O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 2291621 KJJCWLJHZFVLDN-FYJGNVAPSA-N 407.828 5.403 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(C)cc1 2453255 SDQYPCIKXGJGRU-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CCOC(=O)c1cc(C#N)c(Oc2cccc(Cl)c2Cl)nc1-c1ccccc1 3104591 BNANCJYCEWFLQT-UHFFFAOYSA-N 413.260 5.896 30 40 HKEB Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2cccc3ccccc23)c(C)c1 4889182 GIXWLNKBJJGFOB-PDFGPKNISA-N 401.535 5.311 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 5175426 RUFDUCHUWXGWDI-DEOSSOPVSA-N 404.510 5.248 30 40 HKEB Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1cc2ccccc2o1 5960456 CZOBYTBWMMMSOT-ZMOGYAJESA-N 415.405 5.358 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)nc2c1 6554902 WJHVLMQRLWIBMA-NXYZXBHKSA-N 404.897 7.118 30 40 HKEB C=CCOc1c(Br)cc(CN[C@H](C)c2cccc(F)c2)cc1OCC 8395699 HWZNJQIGJPBCLQ-CQSZACIVSA-N 408.311 5.403 30 40 HKEB CNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O 8397976 MFZMNRDZDHTFGX-VMPITWQZSA-N 413.098 5.054 30 40 HKEB C/C(=C\C(C)=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 13407669 KUZSGNNJPFTMBN-JNUFNPOGSA-N 404.535 5.420 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 15223375 RMKGGHOFLCBAIN-UKWGHVSLSA-N 421.638 5.112 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17093475 UYBMCKFDDZONEQ-STQMWFEESA-N 423.321 5.423 30 40 HKEB C=C(Br)Cn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 27792770 GRQWTIBSISTXSF-KRWDZBQOSA-N 424.342 5.028 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)cc1 32984145 LJQQYGFZCXVSST-UHFFFAOYSA-N 403.503 5.262 30 40 HKEB CCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 97946885 LZLLOGHXJMSYDX-XMHGGMMESA-N 403.544 6.257 30 40 HKEB C/C(=N\c1cc(Cl)ccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370449 MWDOODWUCZOWEJ-AFUMVMLFSA-N 404.853 5.196 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc(Cl)c1O 213160288 FBURTFGCBCCYHM-HPJGCCTDSA-N 416.930 5.241 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 408868737 BAPKPYICNJAOQQ-UWKLGMFTSA-N 406.551 5.878 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)c1 408968107 UGGIQOVKPNGRJA-OVKKOYPGSA-N 402.538 6.535 30 40 HKEB C=CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 409082022 RJTUFUOKCLYAAH-LVCNHQDNSA-N 412.514 6.060 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409101962 ZRVIQDWBTLHQIA-OLLYESQCSA-N 401.816 5.386 30 40 HKEB Cc1c(/C=N/Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1 409103254 GCPKIAHCBJPNOP-CCVNUDIWSA-N 408.427 5.858 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 409200157 HFTMJLQAQVEIDF-CVKSISIWSA-N 422.912 5.815 30 40 HKEB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1 855919 NPFSSFGNXNPELV-JLEISICNSA-N 423.369 5.716 30 40 HKEB Cc1ccc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1 4270047 ZNAQYJBDACSGPV-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@]3(C)C=CC(=O)CC3)CC[C@]12C 4666756 YLFAUVCVKUBIFC-UJMXQAFQSA-N 402.619 6.518 30 40 HKEB O=C(O)c1ccc(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 4871820 DQVNIEQMPIZMEY-ZXVVBBHZSA-N 407.473 6.301 30 40 HKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc4ncccc4c3)c(-c3ccccc3)c2c1 5337720 OIALVCAVMSJOOE-SDNWHVSQSA-N 416.480 5.948 30 40 HKEB CN(C)c1ccc(/C=C\C(=O)c2ccc(C(=O)/C=C\c3ccc(N(C)C)cc3)cc2)cc1 5389581 SEIJJKISAJYNJX-QJUDHZBZSA-N 424.544 5.611 30 40 HKEB C/C(=C\c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H](O)[C@H](C)[C@H]1c1ccccc1 5395652 VFUSIMKKWNMEOO-ZECDYOHESA-N 410.557 6.244 30 40 HKEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3c2)n(C[C@H]2CCCO2)c1C 8531751 BPYUVIBMCDNEPR-HXUWFJFHSA-N 419.550 5.040 30 40 HKEB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(F)c(F)c1 12999959 MANJNSVAEZQBEK-VQHVLOKHSA-N 407.247 5.721 30 40 HKEB CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 32984143 FLCBJOUCJKVSTC-UHFFFAOYSA-N 403.503 5.207 30 40 HKEB CCCCCCCCOc1ccc(C2=NCCN2)c(OCCCCCCCC)c1 100932680 LYMOQFUYVLKHQX-UHFFFAOYSA-N 402.623 6.515 30 40 HKEB O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 197575159 GFIJPWVMLHJVRL-WSDLNYQXSA-N 421.800 5.222 30 40 HKEB CCN(CC)c1ccc(C=Nn2c(-c3ccc(Cl)cc3Cl)n[nH]c2=S)cc1 254290123 IXAFIIZMNHMTOD-UHFFFAOYSA-N 420.369 5.643 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccccc1OCc1cccc(F)c1 408532242 SXLZDYOWUPLOJA-STZFKDTASA-N 404.466 5.296 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2ccccc2)o1 408753713 HIXHQARDXKAHIF-ATVHPVEESA-N 412.923 5.976 30 40 HKEB Cc1ccc(-n2nc(C)c(/C=N\Nc3c(Cl)cc(Cl)cc3Cl)c2C)cc1 408995112 JCAVWTQJLPOJFG-RMORIDSASA-N 407.732 6.204 30 40 HKEB C#CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409113077 NJSLEFCDTKNVBI-UHFFFAOYSA-N 413.517 6.230 30 40 HKEB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)S/C1=N/c1ccc(OC)cc1 409239418 MOMKFAOOHGHJIX-HLTANSAUSA-N 418.518 5.481 30 40 HKEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 815779 LXHWCUJKZSFGBD-NRFANRHFSA-N 412.917 5.666 30 40 HKEB CCCCOC(=O)c1ccc(Nc2csc(/N=C/c3ccc(OCC)cc3)n2)cc1 1870568 KOVUWEGNGQCNHJ-BUVRLJJBSA-N 423.538 5.993 30 40 HKEB O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 3067644 GKNXSIGDIVFHIT-JRXOJCEHSA-N 403.825 6.472 30 40 HKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(I)cc1 3151613 GHPDCAOPBKXXPS-RGVLZGJSSA-N 421.669 5.189 30 40 HKEB CCC(NC(=O)Nc1cc(C(F)(F)F)ccc1OC)(C(F)(F)F)C(F)(F)F 3188747 IAOFIDDOYJAOIX-UHFFFAOYSA-N 412.252 5.109 30 40 HKEB biogenic CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 4548750 FMOQIPJYTNGFFY-KRWDZBQOSA-N 402.563 6.566 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C#N)C1 4690903 GPPVPKQYNGHUDT-ZDUSSCGKSA-N 419.015 6.155 30 40 HKEB Brc1ccc(/C=N/c2nc3ccccc3n2CCN2CCCCC2)cc1 4738212 UQDDYGMBGGFMMJ-XQNSMLJCSA-N 411.347 5.035 30 40 HKEB O=C(/C=C/c1cccs1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1 6049448 SLUUCCWITIUPOH-PHEQNACWSA-N 400.455 6.009 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 8416114 UMPZFEPZKWPFNG-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Cl)cc1Cl 8821150 OIPROQODTWEASX-RZNTYIFUSA-N 418.132 6.192 30 40 HKEB Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc4nccnc4c3)c(-c3ccccc3)c2c1 58161094 GMFFRJVFKXVAEF-FMIVXFBMSA-N 417.468 5.343 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 59104544 HPWSCGQOZIPESQ-HTEZIOAISA-N 412.942 5.179 30 40 HKEB FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526379 DSVQJZHRLHCFEE-UHFFFAOYSA-N 416.099 6.068 30 40 HKEB Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 408691881 VVKCRXDLGKVVDT-JXMROGBWSA-N 412.239 5.822 30 40 HKEB C#CCOc1c(Cl)cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OCC 408810449 IZHWWFRQUDODOZ-UHFFFAOYSA-N 417.896 5.242 30 40 HKEB CC(=O)Oc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408847920 WWPKUHUHHDNQJK-MYYYXRDXSA-N 418.518 5.555 30 40 HKEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1F 408913207 UDEVIVARGJBMKZ-QFEZKATASA-N 402.429 5.491 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1 856576 PCJIDTNRXASGRI-WGDIFIGCSA-N 414.480 5.814 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C#N)C1 997110 ZQEGXIQUPJBFEO-AWEZNQCLSA-N 400.503 5.621 30 40 HKEB CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 3094500 DGYLDDMJNRXZOU-ZMOGYAJESA-N 420.856 5.873 30 40 HKEB FC(F)(F)c1cnc(-n2cccc2/C=N/OCc2ccc(Cl)cc2)c(Cl)c1 3133273 XKYUFQRENYYGLT-KIBLKLHPSA-N 414.214 5.749 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1 5988415 XQDQYUNJSATFKB-QFIPXVFZSA-N 413.429 5.113 30 40 HKEB C=CCn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1ccncc1 6907588 JFYGPZCTBLKNCR-UHFFFAOYSA-N 400.507 5.611 30 40 HKEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1OC 12691643 VVVVIBSZWQYNQU-UHFFFAOYSA-N 420.563 5.556 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O 29345962 GMRQFYUYWCNGIN-GVKVLCCPSA-N 416.646 5.705 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/[C@H](C)c1ccccc1 101379242 LYTJHUIMVBMYJT-QQDQLJTRSA-N 409.580 5.500 30 40 HKEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)/C=C/c3ccccc3)CC[C@@H]12 118931417 JNNJOMNLPDCYKP-GSEPXZTGSA-N 406.610 6.289 30 40 HKEB Oc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408732401 QSIGAUZKZLNURU-MWAVMZGNSA-N 414.508 7.268 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408754016 PDHKBPLRBSTFKL-QNGOZBTKSA-N 408.523 5.104 30 40 HKEB Cc1cc(I)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 408850605 PEBAHFAEHZDTBS-MTJSOVHGSA-N 420.681 5.794 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408854598 ABOGGSQBWYDLPY-NVNXTCNLSA-N 423.719 5.008 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1O 408933817 BMQIGNRASVDKHV-PUASABTGSA-N 410.517 6.368 30 40 HKEB Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1C 409210167 ILZCNTZFQDYSGN-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C 409216337 HKIRNVXEEIHHHE-RGVLZGJSSA-N 409.121 5.835 30 40 HKEB CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 1413003 QQUBFAWTJTXZQP-AFMDSPMNSA-N 414.574 6.532 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCCN(CCCC)CCCC)[C@H]3C[C@@H]12 4073555 CURRYBTXBNEGJH-HROMDODWSA-N 418.666 5.183 30 40 HKEB biogenic CCCCCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 4547843 IDCNRSMEXDCVSD-SGWCAAJKSA-N 409.533 6.859 30 40 HKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@@H]1CCCO1)N(C1CCC(C)CC1)C3 4969526 BIQUWPVYQHIKBB-WWADIEQSSA-N 423.626 5.873 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 5067399 OHQGDXAHKWHIQG-ZVBGSRNCSA-N 408.310 5.580 30 40 HKEB COC(=O)c1cc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)ccc1Cl 8811451 PZXFBYZNEJYBSE-WYMPLXKRSA-N 403.265 5.164 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl 9108651 TUKMQBWGPIGDIL-NRFANRHFSA-N 421.855 5.570 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1 15016912 ZFOZYIWLKZSTHC-JTUXUYRKSA-N 414.530 6.121 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 59435511 HSOINELGRIJKSJ-PSQINSSGSA-N 403.913 5.107 30 40 HKEB CCCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782834 FBMXLHMQUBYVTL-MEJQTSFHSA-N 418.581 5.718 30 40 HKEB CCCCCCCCCCCCCCCCCCN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 104155925 LQOYKQHSYJNBKA-NEWJYFPISA-N 419.650 6.410 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 104194563 UYDPILZJQZLNCG-AYWGPLOBSA-N 412.489 5.140 30 40 HKEB CCCCC1=C(C)C/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1CCCC 104253782 WNRAOAAOTUQJHI-LXYRBDFESA-N 416.522 6.624 30 40 HKEB CCn1c(N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nc2ccccc21 408692242 IESKKAGXQNWION-PCLIKHOPSA-N 400.482 5.090 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 408762019 JLFVFGBXFGCOGV-NDENLUEZSA-N 419.462 5.363 30 40 HKEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 409072131 IMRXVMQRJUUGTR-AUEPDCJTSA-N 419.315 5.018 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409209942 JVJRICWBIWTRMQ-MHFSVLKQSA-N 424.610 6.707 30 40 HKEB Cc1ccc2cc3c(N)c(C(=O)Nc4sc5c(c4C#N)CCCC5)sc3nc2c1 812948 BUYCQOOGYMKHPR-UHFFFAOYSA-N 418.547 5.404 30 40 HKEB CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)=O)cc1)C2=O 2346416 WDSSDCFTSFWEBL-UHFFFAOYSA-N 421.493 5.207 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccc(Cl)cc1 3393827 IVXPTGNNUYVEKO-UHFFFAOYSA-N 424.957 5.004 30 40 HKEB O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1 4471078 OWAWWQLGUCVEGB-FOWTUZBSSA-N 404.771 5.998 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4952207 VRFQWUJFWUXMCH-PTHMFHIQSA-N 409.555 5.028 30 40 HKEB O=C(/C=C/c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 5589503 UQNBLTBLPQKNME-MSQOKPTJSA-N 411.932 7.063 30 40 HKEB CC/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1ccc(C(C)(C)C)cc1 6378132 OMXLFAAGWSYMQE-QQGUOSOASA-N 404.004 6.032 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(F)c1)Nc1ccccc1N2 6475042 KVRURICHFJRLLN-PSLXWICFSA-N 424.928 6.520 30 40 HKEB Cc1cc(C)c(C#C/C=C/c2cc3c(-c4ccccc4)cccc3c3ccccc23)c(C)c1 8384074 ZOEHGWNJFKXSAH-VGOFMYFVSA-N 422.571 8.650 30 40 HKEB CCOC(=O)c1c(/N=C2/NC3(CCCCC3)Cc3ccccc32)sc2c1CCCC2 12413824 HHFNPFUJXQKQTD-UHFFFAOYSA-N 422.594 5.731 30 40 HKEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccccc1Cl 17209126 FPMIYKHWAPFXMZ-UHFFFAOYSA-N 406.720 5.232 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 28182622 MUFLBOONQJVDOY-UOCLXJOFSA-N 421.496 6.370 30 40 HKEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66088820 XRVAAIDJWRYPPZ-QFIPXVFZSA-N 420.940 5.583 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2s1 72228622 OWLAEOXSSLMPSO-UHFFFAOYSA-N 421.353 6.280 30 40 HKEB CCCCCCCCN(CCCN(CCCCCCCC)CCOC)CCOC 100923876 QCZPZUOWUSBASI-UHFFFAOYSA-N 414.719 5.994 30 40 HKEB O=C(c1ccccc1OC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101475721 YYSVJUZHYIRTEX-UHFFFAOYSA-N 408.138 5.236 30 40 HKEB FC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526419 HWEADHKTCRQDJU-UHFFFAOYSA-N 416.099 6.068 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 118936297 FEKAJWKTTGKVJA-ROLYVHSOSA-N 415.662 6.925 30 40 HKEB C[C@@H]1CCc2c(-c3ccccc3)nc(OCC(=O)c3ccc(Cl)cc3)c(C#N)c2C1 170622705 DUSLUTJJCMFUKO-MRXNPFEDSA-N 416.908 5.660 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cccc1CC 408560580 LDOJUPBODVTTED-UHFFFAOYSA-N 414.619 5.579 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 408774726 CTJKFRGHQKEHQV-MXAYSNPKSA-N 415.320 6.328 30 40 HKEB C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 408819274 PRNIDQRSPURIKI-PGMHBOJBSA-N 421.518 5.620 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C 409209502 FYWBOULAEGSAEW-VULFUBBASA-N 406.913 6.033 30 40 HKEB Cc1ccc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1 715942 HHXYWJDABFOWCZ-UHFFFAOYSA-N 417.534 5.440 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1F 1076737 PONAAEXASXUWMG-CYBMUJFWSA-N 420.303 5.177 30 40 HKEB CCCCCCn1c(/N=C/c2cc(Br)ccc2O)nc2ccccc21 2270047 DVIUBBOOIWHVBH-HYARGMPZSA-N 400.320 5.835 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1C 5335966 DXPCKEBUYVVIJV-DJKKODMXSA-N 413.109 5.375 30 40 HKEB O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1)c1cccs1 8867509 GQIPCUUNRASBJJ-LPYMAVHISA-N 420.519 5.276 30 40 HKEB COc1ccccc1/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C(\C)c1ccco1 14357977 OKLUTVNJIQVHJA-CSSIMDRXSA-N 417.534 5.940 30 40 HKEB O=c1c(/C=N/Cc2ccccc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 16672037 LDBOQPARRRXKEB-PCLIKHOPSA-N 410.502 5.061 30 40 HKEB C/C(=N/N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc2ccccc2c1 28627934 NLQUWGUKYQNUHM-WYKZTKDVSA-N 423.541 6.336 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)Cc3ccc(Cl)cc3)c(C)c2s1 72228567 BKDJBPZDQHLTTI-UHFFFAOYSA-N 400.935 5.555 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 98001530 TXTWJMBXMNMSBO-UHFFFAOYSA-N 400.950 6.672 30 40 HKEB biogenic Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 100103337 GXMOBDSRECTWGH-WOARFCOISA-N 409.514 6.285 30 40 HKEB CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)CC(C)(C)CC1=O 100140347 OSIDHVOSYVXHEZ-UHFFFAOYSA-N 410.558 5.020 30 40 HKEB O=C(O)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 100233619 GVEIWKXPTYLZIL-KWZOLKRCSA-N 414.486 5.189 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O 107674873 IGMXSAJRDPKTCI-UNOMPAQXSA-N 415.921 5.279 30 40 HKEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 108288488 YZTSFFKEOIEJRI-LSFURLLWSA-N 416.761 5.044 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 253607955 BCURXPBCRVGFAN-ZSQFBXSQSA-N 416.646 7.824 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 408737190 AFBDFIKFYZXQEL-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB C=CCn1c(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 408812938 CDEFFRNWMKFCHO-GDLZYMKVSA-N 418.540 6.962 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1C 408852966 XUAQAOLYQPPQPR-MYYYXRDXSA-N 404.535 5.947 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 408853809 SLGQSBZPWHHKFD-MTDXEUNCSA-N 413.517 6.762 30 40 HKEB CCc1ccc(C=Nn2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 409305612 WFBVDCDCXABLCT-AWEZNQCLSA-N 412.331 5.117 30 40 HKEB COc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(OC)cc2)cc1 839197 UTEGITLOZFTZDB-UHFFFAOYSA-N 411.523 5.270 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)Nc1ccccc1N2 1076952 UZEZRWTXYALUAT-XRHLQHRESA-N 422.553 6.881 30 40 HKEB COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)c1 1439865 QKTHSKTZYVXHRA-MRDQGFSESA-N 414.480 5.814 30 40 HKEB CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3c(O)ccc4ccccc34)c2)cc1 1955306 BQADPJSZQRAKDT-RDRPBHBLSA-N 422.528 6.846 30 40 HKEB COc1cc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)ccc1OC(C)C 2319579 ISJUVFKMAPHCFP-UFFVCSGVSA-N 412.342 5.110 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O 2425621 OQFPDSLJJNHBKC-GRSHGNNSSA-N 417.313 6.559 30 40 HKEB COc1ccc(OC)c(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 5526715 CASXYTKTLRFQFL-PCLIKHOPSA-N 415.518 5.940 30 40 HKEB COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2OC)cc1 6045417 DXJCENKUNULODQ-RIYZIHGNSA-N 416.473 5.265 30 40 HKEB CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1 7078601 BYHJTFLBXHTBJF-JZCUADNKSA-N 404.466 5.861 30 40 HKEB Cc1cccc(/N=c2\scc(-c3cc4ccccc4o3)n2/N=C/c2cccnc2)c1 7781159 VQKYWUFOZURZQC-UCRJKCCMSA-N 410.502 5.781 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1C 8821110 RBWAEUQBAXTBAF-UDWIEESQSA-N 419.462 5.363 30 40 HKEB C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9112012 XRUAARWZLMGXQR-SFHVURJKSA-N 418.349 5.860 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cc2ccccc2o1 10675405 TWLQYOWKTBRXTQ-UHFFFAOYSA-N 422.485 5.056 30 40 HKEB Clc1ccc(COc2cccc(/C=N/Nc3nc(-c4ccccc4)cs3)c2)cc1 16676016 LOMAXJVSKSKZMW-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB Fc1cccc(Cl)c1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1 16755040 MOXVVMQXKIZUME-YXSASFKJSA-N 400.693 6.355 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cccc(OCc2ccccc2Cl)c1 33347958 SCEIGZQADZCQNZ-STZFKDTASA-N 420.921 5.811 30 40 HKEB CCn1c2ccccc2c2cc(/C=N/CCc3ccc(OC(F)(F)F)cc3)ccc21 66091311 VBALGLZEBQLAPV-LQKURTRISA-N 410.439 6.375 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339919 WPQWWRUKBGAHLC-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 245236189 QQLGOIZFZABLDX-NAYUSKCVSA-N 422.674 5.298 30 40 HKEB biogenic CCCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(C)cc1 408908517 FMHJUWNDCSDEKV-MIIQOVFOSA-N 408.523 5.186 30 40 HKEB COc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 408913068 KMDKEZZMIGQBBP-CIAFOILYSA-N 402.313 6.261 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)c(O)c(OC)c2)C(=O)N1CC 408914058 SGTDVZLXLSYVTP-HPJGCCTDSA-N 416.930 5.241 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 408932681 DNOCSVAUVSZRBW-FOKLQQMPSA-N 409.205 6.174 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)cc3)c2C#N)C1 409080642 IWJZPYLSXGYFMM-CHOFVFFHSA-N 401.373 6.284 30 40 HKEB CC(C)/N=C1\S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1C(C)C 409201427 MZPUGCLYLJWWJR-ZVERUENYSA-N 416.631 6.076 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c3ccccc32)o1 409392391 LYVIYJISCUTJEI-MSXFZWOLSA-N 417.421 5.036 30 40 HKEB O=C(c1ccc(Br)s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243244 YVORDPPIPOIIOU-UHFFFAOYSA-N 409.067 5.162 30 40 HKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccc(Br)cc3)cs2)c1 832789 NVFSFHWYEXLAPZ-KEBDBYFISA-N 403.301 5.340 30 40 HKEB COc1ccc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1 1262488 DXEDTCZNUOQJAS-XMMPIXPASA-N 406.526 5.543 30 40 HKEB N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1cccs1)CCCC2 2197009 BHKUVXLBGSCTQL-UHFFFAOYSA-N 414.958 6.645 30 40 HKEB C=CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2396052 TUHDGVPOSZHIMI-UHFFFAOYSA-N 402.523 5.356 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C(C)(C)C)cc1 3364147 SSOJPTCAZRZZHJ-UHFFFAOYSA-N 420.582 5.468 30 40 HKEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC 4944860 XDSPHNNPKCQHOI-INIZCTEOSA-N 423.484 5.007 30 40 HKEB CCc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Cl)cc2)C12CCCCC2 5794872 CQJWIQBQKRYHOA-UHFFFAOYSA-N 412.002 6.338 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4cc(C)cc(C)c4)NC3=O)c2C)cc1 5797397 QBASJMPBROYZJY-OEAKJJBVSA-N 415.562 5.911 30 40 HKEB CCCCCCCCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 97954104 IAGAARGNRCQNFX-UHFFFAOYSA-N 413.587 5.526 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 100233593 DPNXZWNATNDIKH-BYULABSTSA-N 423.541 6.533 30 40 HKEB CO/N=C/C(=C\Nc1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 100911770 OWWJDZHHDYCGDV-HZMXDJAJSA-N 424.637 6.146 30 40 HKEB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 111087701 NKPCGAOAWVPOES-HBVTUDECSA-N 417.509 5.632 30 40 HKEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 219781343 ZNPXCVCOHHNOKI-LJQANCHMSA-N 414.505 5.385 30 40 HKEB CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 408803446 OZZYYOSLUTZRMI-QQXSKIMKSA-N 424.610 6.227 30 40 HKEB Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 409079321 JITONEKHGVXKMK-STZFKDTASA-N 403.865 5.572 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Br)cc2C)cc1OC 409380791 AORODQJWJCKGDX-MYSNOUKZSA-N 410.739 6.347 30 40 HKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 1923996 QZFIWUBICHWZBP-ODCIPOBUSA-N 417.130 6.215 30 40 HKEB CC(C)Cc1ccc(/C=N/NC(=N)SCc2ccc(Br)cc2)cc1 2571158 CDDHLABWNDQVKP-WSDLNYQXSA-N 404.377 5.439 30 40 HKEB N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCCCC2 2745585 KSYLZDWLEXBYQD-UHFFFAOYSA-N 414.530 6.155 30 40 HKEB O=C(Nc1cc(/N=C/c2ccccc2)c(Cl)cc1Cl)c1ccc(Cl)cc1 3068173 LVOMAKHFHRRPIL-WYMPLXKRSA-N 403.696 6.650 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)c2cccc(C(F)(F)F)c2)cc1Cl 3295374 JLNOGMLJXPCVSQ-MOHJPFBDSA-N 412.864 5.934 30 40 HKEB C=CCN1C(=O)/C(=C(\C=C2/Sc3ccc(OC)cc3N2CC)CC)SC1=S 4048098 UAYYRLFOAABIJR-YIMYCEAYSA-N 418.609 5.179 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl 4321393 VRONNFDKKNYJHA-UHFFFAOYSA-N 412.945 7.233 30 40 HKEB Cc1ccc([C@@H](Nc2ccccc2)[C@H](C#N)N=C(c2ccccc2)c2ccccc2)cc1 5614239 KUYZSVXYXUNGMC-LMSSTIIKSA-N 415.540 6.578 30 40 HKEB FC(F)(F)c1cnc(N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 5863760 IDSAFBHHCDVPKK-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 8449943 CSHXGXPVOICVJD-SGNKAXLRSA-N 411.542 5.268 30 40 HKEB C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccc(C)cc1 13689607 OTAXUTZLCGDBLT-DEOSSOPVSA-N 420.578 6.503 30 40 HKEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C1\CCCCc2ccccc21 15980505 XFOOCSJTLCEEGS-FLBYPPGWSA-N 413.493 5.327 30 40 HKEB CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 16321517 APCKNDBZZFVZER-ZVHZXABRSA-N 423.310 5.455 30 40 HKEB COc1ccccc1CN/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 20763481 FDVJWFVIBXZOLX-RDRPBHBLSA-N 410.517 5.860 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c2ccccc21 28182832 YTEIWYKHMFUXPU-PDESAOGPSA-N 416.521 5.357 30 40 HKEB COc1ccc(/C(C)=N/Nc2nc(C)nc3sc(-c4ccccc4)cc23)cc1OC 33045718 ZKLYXSFIBMTLOA-VULFUBBASA-N 418.522 5.520 30 40 HKEB Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 36397673 XRXZAYBOKCWRMO-UHFFFAOYSA-N 421.469 5.256 30 40 HKEB FC(F)[C@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F 100048622 OKPPOETXRULRPA-UWTATZPHSA-N 420.062 5.831 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 219804181 HCAPMQMAQBSJJM-UHFFFAOYSA-N 416.546 5.190 30 40 HKEB Cc1ccc(/N=C\c2ccccc2I)c(Br)c1 408550813 KBXRPCMSKIIEKL-MFOYZWKCSA-N 400.057 5.113 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)S2)c(C)c1 408723743 HWCCORWGUQCLSG-BUVRLJJBSA-N 408.526 6.501 30 40 HKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)c1 408961972 WFECMHVDZQLIDA-HNYZTYFESA-N 405.567 5.528 30 40 HKEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1 409018796 ZHCLDNVRNKHYKG-NSUZWAMQSA-N 421.747 5.645 30 40 HKEB C=CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409041238 ZUCLUHNXDRHKEJ-MRUKODCESA-N 410.358 5.832 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccncc3)CC(=O)O4)C2=O)cc1 524730708 TWUDUGCYMFSPLM-ZWAQGKOVSA-N 411.457 5.262 30 40 HKEB biogenic CCCc1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)o1 585293508 IJBOOPYBSNWXTK-UHFFFAOYSA-N 401.514 5.017 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3nc(-c4ccc(Cl)cc4)oc3c1)OCO2 1424960 MCRCUDJEWSEMAV-AUEPDCJTSA-N 421.796 5.536 30 40 HKEB N#Cc1c(S[C@@H](C(=O)O)c2ccccc2)nc2c(c1-c1cccs1)CCCC2 2319086 JPYKGCKNTOGHKX-HXUWFJFHSA-N 406.532 5.479 30 40 HKEB Cc1c(Sc2ccc([N+](=O)[O-])cc2)c2ccccn2c1/C=C/C(=O)C(F)(F)F 3193974 XUJGCAHQDLFMQP-MDZDMXLPSA-N 406.385 5.452 30 40 HKEB Cc1cccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1C 4269935 MOBCKSNQNGZCFJ-UHFFFAOYSA-N 400.507 5.015 30 40 HKEB C=CCOc1ccc(/C=C(\C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1 4747030 GBHQYDYILDYVFR-OQKWZONESA-N 411.457 5.825 30 40 HKEB C=CCN/C(S)=C(\C(=O)c1ccc([C@@H](C)CC)cc1)[n+]1ccc(C(C)(C)C)cc1 8198030 SSBRZAZYOIAHNJ-SFHVURJKSA-O 409.619 5.500 30 40 HKEB Cc1cc(O)c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20648052 VOWIXBRNOIXGEC-GLFIFPSUSA-N 403.478 5.437 30 40 HKEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCOc2ccccc2)cc1 40146406 UFIMBNFUNFSIFM-UHFFFAOYSA-N 402.469 5.085 30 40 HKEB CCCOC(=O)Nc1ccccc1/N=C1/CCC/C1=C\c1ccc(Cl)cc1Cl 51329724 YTUZPQJBKBGGLO-AJYPUEJJSA-N 417.336 7.292 30 40 HKEB CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409803 GPHILZMMUVVYSM-QGZVFWFLSA-N 410.520 5.111 30 40 HKEB Cc1ccc(-c2c(C(=O)/C=C/c3ccc4nccnc4c3)c(=O)[nH]c3ccccc23)cc1 95116842 NJXRRSOAKNQWSV-UKTHLTGXSA-N 417.468 5.343 30 40 HKEB CC(C)c1ccc(-c2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3o2)cc1 98086893 RMCRWFVVLJLWDF-LQKURTRISA-N 406.485 7.228 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5Cl)o4)cc3)nc2c1 100517786 FQKXMZVMYYAZDH-JFLMPSFJSA-N 412.876 7.467 30 40 HKEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1Cl)c1ccccc1 101571187 IBHIMCIDQYGNIT-NRFANRHFSA-N 404.922 5.153 30 40 HKEB CCCCCCCCCCN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 104342385 GEMLALBJYTZAJC-UHFFFAOYSA-N 407.646 6.797 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 253617140 KOBCGCROWPFVMN-NNCNDFJQSA-N 402.575 5.260 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1Cl 408739543 XLXUGQCHJLBYEN-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408784593 VMQZWJNITCRFJU-ATVHPVEESA-N 420.365 5.731 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)ccc1OC 408905677 CGPQABRVDJMJTR-ZSICUCBDSA-N 410.539 5.335 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(C#N)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928667 DBQSLIXMHLWIII-SGXAETBLSA-N 416.550 5.172 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 408963108 ABKRXCIAZIXWPG-UDWIEESQSA-N 419.462 5.363 30 40 HKEB Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409058985 QBKZONLKCYYPPB-FQNOVECQSA-N 405.611 6.430 30 40 HKEB CCCN1C(=O)/C(=C/c2cc(C)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 409082063 RLCSZWKGULKQBW-HTEZIOAISA-N 414.958 5.979 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)NCc2ccco2)C1 409091302 SOMNESUAZDBRSG-PZLUAEMBSA-N 421.566 5.568 30 40 HKEB COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409214542 VVGDHWYRXYFCRI-BRJLIKDPSA-N 420.723 6.985 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 409216310 GVQNTONCDCLWCE-VULFUBBASA-N 414.332 7.030 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409217847 XLXULYXOJHAAHA-LGJNPRDNSA-N 418.751 7.539 30 40 HKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1O[C@H](C)C(=O)O 409233784 XEZOUTNYGNOPKD-SCELWYEFSA-N 405.450 5.398 30 40 HKEB O=[N+]([O-])c1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1083811757 MFRABPMXBPOABR-UHFFFAOYSA-N 421.162 5.077 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 2798838 NRCNGFYEBSBFCD-JVWAILMASA-N 416.546 6.227 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@]3(C)C=CC(=O)CC3)CC[C@@]21C 4666758 YLFAUVCVKUBIFC-LGPRIFOJSA-N 402.619 6.518 30 40 HKEB CC(C)=CCCC1=CC[C@@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@H](C)C1 4834811 JKMOBELHGOSJNL-DDYBWPJASA-N 406.505 5.570 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 6844688 HFIJBOGYPVRQIE-BRJLIKDPSA-N 410.832 6.142 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 9499368 ZYDDTAAOADEPFE-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccc(Cl)c1 17017182 CDTJASVPGPORPJ-FQEVSTJZSA-N 420.900 5.237 30 40 HKEB O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 17043582 VEMPDYHQRSRTSS-LPNGOHTBSA-N 403.463 5.494 30 40 HKEB CCCCC1=C(C)C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1CCCC 38797060 WNRAOAAOTUQJHI-WGICHRRSSA-N 416.522 6.624 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463665 HETOGZICZOASMT-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1c(C)cccc1C 408906070 HBKATJPWKAQXCZ-ZRXYRDEMSA-N 416.930 5.295 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408907731 CJJIVBCUNZEOPH-RDTLLWRQSA-N 409.511 5.614 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 408910148 FWSONKLCDPOGMQ-HUOZHCEOSA-N 422.594 6.449 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1c(C)cccc1C 408910857 LVKRMGQHNUPBNP-MDIFQPDJSA-N 424.566 5.723 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)cc1 408913316 PYPPDMITXDSFIN-NVZLDUMVSA-N 421.522 5.840 30 40 HKEB C=CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409035732 QNQMBLYVMAKOCF-OUBWWKSTSA-N 413.120 5.272 30 40 HKEB Cc1oc(/N=C/c2cccc(OCc3ccc(Br)cc3)c2)c(C#N)c1C 409144337 JRRKRPSWAFKGAC-WYMPLXKRSA-N 409.283 5.860 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409199156 BJQUUUQANMPZRO-MFKUBSTISA-N 408.339 6.650 30 40 HKEB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S/C1=N/c1ccc(F)cc1 409240324 GOLZOKNPVQCVKS-MKIITAJQSA-N 419.525 5.857 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)cc1OC 409381851 WOJFTNMJBFQLEI-NLTKLDOMSA-N 423.940 7.377 30 40 HKEB N#Cc1c(NS(=O)(=O)c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 636644 JWNFSOUHFYXOFO-UHFFFAOYSA-N 406.488 5.348 30 40 HKEB N#Cc1cc(C(=O)Cc2ccc(Cl)cc2)cn1-c1ncc(C(F)(F)F)cc1Cl 1385655 RDGPRFJOKJPTQU-UHFFFAOYSA-N 424.209 5.495 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 4951166 AULZQBPFVUPVSP-MRXNPFEDSA-N 424.635 6.266 30 40 HKEB CCCOc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c(OCCC)c1 5603634 GCFJDUTXEYPOLW-OPEKNORGSA-N 415.843 5.777 30 40 HKEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 6784058 UNSVDUCJZOPYSR-JOCHJYFZSA-N 417.436 5.007 30 40 HKEB Fc1cc(F)c(F)c(N/N=C/c2sc(Nc3ccccc3)nc2Cl)c1F 6816373 IXXNCEUSERJENT-QPJQQBGISA-N 400.788 5.543 30 40 HKEB Cc1ccc2nc(N/N=C/c3cccc(Br)c3)nc(-c3ccccc3)c2c1 8435473 POAYNDSQJNWOHW-ZVHZXABRSA-N 417.310 5.814 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1Cl 8821151 SWNZYECECPXGOU-RZNTYIFUSA-N 418.132 6.192 30 40 HKEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2cc(Br)ccc2o1 12816329 XLRMYZYPNUGUNC-GQCTYLIASA-N 417.255 5.117 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Cl)c1 18195396 YHSVWBSCXKNLFJ-LJQANCHMSA-N 419.912 5.020 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 18219565 LGBJBVURTHENNC-QFIPXVFZSA-N 420.877 6.115 30 40 HKEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc2ccccc12 20057991 NTKDZWKZEORWQK-MWAVMZGNSA-N 417.556 5.951 30 40 HKEB CCCCCCCCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 97949409 MBGMGVISROGRGY-UHFFFAOYSA-N 418.622 7.586 30 40 HKEB in-vitro CCOC(=O)c1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 408718119 KNLRBYMKBXFKKA-UDWIEESQSA-N 421.430 5.361 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccccc1 408781869 FOLCSFBSWRBQMN-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408812618 PEFCTRZOHYEZBZ-GRSHGNNSSA-N 412.125 5.464 30 40 HKEB Cc1nc(N)c(C#N)c(-c2ccc(OCC(C)C)c3ccccc23)c1-c1ccccc1 408977057 CPIHBOKCOHINGO-UHFFFAOYSA-N 407.517 6.366 30 40 HKEB COc1cc(/C=N/Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccco1 409053524 KQOBELNBXBUKHJ-YDZHTSKRSA-N 419.462 5.077 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1Cl 409114594 HOSWHFGCJNIENO-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409211281 NHNDRZVBHKTXJR-DHRITJCHSA-N 413.304 6.070 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cc(Cl)ccc3OC)c3ccccc32)o1 409394248 XRCAOIWTPNJIFC-BRJLIKDPSA-N 422.868 5.482 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccccc1Cl 1080871 CEBOPLCQQGWGBJ-HNNXBMFYSA-N 415.867 5.782 30 40 HKEB COc1ccc(/C=N/CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 2101156 CIMBWRCZKFKGHE-QZLJHNFXSA-N 403.478 5.074 30 40 HKEB biogenic C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 2356840 OXKNAMRICBQTMP-INIZCTEOSA-N 404.601 5.339 30 40 HKEB Cc1noc(C)c1CSc1nc2c(c(-c3ccccc3)c1C#N)C(=O)CC(C)(C)C2 2502412 LTZDRSBYMHKPDH-UHFFFAOYSA-N 417.534 5.673 30 40 HKEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1c(F)cccc1Cl 4785577 XIJPGMWAXSHAFE-QWUOEIFBSA-N 408.951 5.047 30 40 HKEB CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(Br)cc1 4893264 AWUBMIIAJHGFQS-CIAFOILYSA-N 401.333 5.366 30 40 HKEB N#Cc1c(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cn2ccccc12 14853326 UMSUOOPHUMQERH-UHFFFAOYSA-N 415.518 5.267 30 40 HKEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1OC 17043610 WTQJHLJSNSQJPL-BQRJAFJYSA-N 418.518 5.603 30 40 HKEB CCn1cc(/C=C2\Oc3c(ccc(OCC=C(C)C)c3C)C2=O)c2cc(OC)ccc21 28182694 WYTMOXFNGAVDGR-CFRMEGHHSA-N 417.505 5.939 30 40 HKEB CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 46085409 RHCHWGSVOSFWGK-MFKUBSTISA-N 401.901 5.462 30 40 HKEB Cc1ccc(-n2cc(C(=O)Nc3ccc(OCC#N)cc3)c(-c3ccccc3)n2)cc1 58323847 CPCYAIDPUSMGER-UHFFFAOYSA-N 408.461 5.002 30 40 HKEB CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)O)cc2)cc1C 59663983 ZGYKMFFNSYXXIV-SGWCAAJKSA-N 423.597 7.744 30 40 HKEB COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 66091542 WYADXOBMBDFRDY-OAQYLSRUSA-N 419.864 5.132 30 40 HKEB CCCCCC[C@@H](C)N(C(=O)c1ccc(C#N)c(C)n1)c1ccccc1C(=O)OC 72300854 BOGZXTGCVMHYED-QGZVFWFLSA-N 407.514 5.054 30 40 HKEB CCCCCCCCCCCCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 102903882 QNPFJTOIRUQVCA-AREMUKBSSA-N 424.629 6.886 30 40 HKEB CC(C)(C)c1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(C(C)(C)C)c1O 137483047 BCZBBFAKFUJDKM-BMKWKBSDSA-N 414.596 5.862 30 40 HKEB CCOc1cc(C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 226327455 CYHJSRDJBGQOJY-UHFFFAOYSA-N 401.087 5.605 30 40 HKEB CCn1c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21 408692541 OVUXSCMFTLXMRN-MFKUBSTISA-N 404.901 5.735 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1OC(C)C 409011245 NDWOHBCWVMPZEN-ZDLGFXPLSA-N 416.930 5.336 30 40 HKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br 409077236 CZCCRTUFCBVAOR-ZIFAQYRBSA-N 415.400 6.592 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1O 409085704 ZRUAVWCJRZUXKA-DOQYOOLYSA-N 413.499 5.144 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409203766 XVTGQVFHCVZYHL-VULFUBBASA-N 406.913 6.033 30 40 HKEB COc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 409215549 AZJQYOFMKUCJPN-JVWAILMASA-N 401.893 6.831 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Br)cc2C)cc1OC 409380790 AORODQJWJCKGDX-BTXKWLAHSA-N 410.739 6.347 30 40 HKEB C=CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 2386785 ZKZQSOXUGLBCOV-UHFFFAOYSA-N 410.593 5.398 30 40 HKEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(CC)c(CCC)nc3ccccc23)c1C 2649391 GOZSMWBEJWZCTL-UHFFFAOYSA-N 418.537 5.394 30 40 HKEB N#Cc1c(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc2c1CCCC2 2768848 ITCHOQFEUWYAIT-UHFFFAOYSA-N 400.547 5.539 30 40 HKEB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4038408 FPWGOQQIWJWEEO-ALCSVYSWSA-N 410.686 8.009 30 40 HKEB biogenic Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 8965034 HESFOJAOYDKPGK-UHFFFAOYSA-N 418.499 5.072 30 40 HKEB C=CCn1c(SCc2ccc(F)cc2Br)nnc1-c1ccoc1C 9756293 PIRKHDSOMQSORN-UHFFFAOYSA-N 408.296 5.226 30 40 HKEB COc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 14163752 MSKIQDPZHLCDNX-JBEBIEQOSA-N 417.484 5.274 30 40 HKEB C=C(C)[C@@H]1CC[C@]23[C@H](O)CC[C@H](C)[C@]2(C)[C@H](O)C[C@H](C)[C@@H]3[C@@H]1c1c[nH]c2ccccc12 14455659 KHMAONVROPNUDX-YFBCVLPSSA-N 421.625 6.038 30 40 HKEB biogenic COc1ccc2c(c1)Cc1sc(/N=C/c3ccc(OC)c(Br)c3)nc1-2 15226337 KQQZKXOWUHXDDW-UFFVCSGVSA-N 415.312 5.245 30 40 HKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 20762494 YPYXAERHWJDVLK-DHRITJCHSA-N 402.325 5.533 30 40 HKEB CCCCCOc1ccc(CN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)cc1 46085084 RHYNUQLRTIOLAV-FVDSYPCUSA-N 413.521 5.619 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3cccc(C)c3C)c(C)c2s1 72228802 VIZAGQJHKSWLEA-UHFFFAOYSA-N 410.543 5.355 30 40 HKEB Fc1ccc(-c2n[nH]cc2/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 100114748 CMDMAVPCVXYDJP-UYOSMMAWSA-N 420.263 5.237 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c(O)c2)c(C)n1-c1ccc(Br)cc1 408738977 QSRGQEHSBBUPPD-SSDVNMTOSA-N 403.707 5.966 30 40 HKEB CCCc1sc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 408755361 KUPYKCWVNYRUDP-WSDLNYQXSA-N 414.918 6.079 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1CC 408912833 LYMXHGONMXXJLT-PVTBXJRFSA-N 415.356 5.635 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 408915165 PIXUJSLTGSJPPA-OQNHBUHUSA-N 414.530 6.121 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 409200727 ISQVXIDFYCHZGN-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 409203641 ZQOPXHWTIBBZSX-GRUKXCDCSA-N 411.571 5.192 30 40 HKEB Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409210737 KVRHNHHBFSNRCT-JFLMPSFJSA-N 406.312 7.476 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 409215352 ZMCQOKLYRMPDTC-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB N#Cc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C#N)cc4)cc3)cc2)cc1 850558 PFCRPSJJWFMOSQ-UHFFFAOYSA-N 416.436 6.246 30 40 HKEB CCOc1cc(/C=N/Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 5652021 BPZLIBTUJYBOBN-WGOQTCKBSA-N 417.509 5.166 30 40 HKEB CN(C)/C=N/c1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1 6143178 OORWNGWJCQXNPI-WYMPLXKRSA-N 418.444 5.303 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C#N)C1 6764122 MHJFMPNMACMWPI-MRXNPFEDSA-N 408.567 5.810 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 6813220 DMXZAXKAPMKCLS-QFIPXVFZSA-N 417.892 5.740 30 40 HKEB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118919183 MKGZDUKUQPPHFM-WIDNVVCESA-N 410.686 8.009 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl 408591312 JQAVXLZJSWQYEC-FOKLQQMPSA-N 418.280 5.860 30 40 HKEB CCOC(=O)CN/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408732243 PVZLTJDVPPVWDY-USHMODERSA-N 423.516 5.298 30 40 HKEB N#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 408803797 ANYDPIZXGXEMEU-QQXSKIMKSA-N 421.566 5.342 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 408912120 LVAZOCXLSRAERX-GUXVSJRNSA-N 422.594 6.432 30 40 HKEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3s2)cc1)c1c(F)cccc1F 409015434 RCIFYMXAEDTPLK-WYMPLXKRSA-N 409.417 5.240 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1 409064768 FICUQLJUYREVQF-CIAFOILYSA-N 412.243 5.557 30 40 HKEB CCCCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2256605 ZZNGDXYNSKBSKX-UHFFFAOYSA-N 405.546 5.311 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)nc2c1 3068835 SYDGZAWXQDRHLW-CVKSISIWSA-N 423.428 6.722 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cn(Cc2c(Cl)cccc2Cl)c1=O 3133657 ICLLBIAIOWMMFS-UHFFFAOYSA-N 423.221 5.761 30 40 HKEB Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 4537185 LMYCOIYYOHPFGZ-JXMROGBWSA-N 412.239 5.822 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 4545318 PALUMFVISRAGBH-RGVLZGJSSA-N 404.422 5.194 30 40 HKEB CC(=O)N(c1nc(CSc2nc(C)cc(C)c2C#N)cs1)c1ccccc1F 5641588 FJMNPEDQIJVGSS-UHFFFAOYSA-N 412.515 5.143 30 40 HKEB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1C#N 6554286 ZFNREFWBJYPXAK-XMMPIXPASA-N 415.518 5.233 30 40 HKEB COc1ccc(N2C(=O)c3ccccc3NC23CCC(C#N)(c2ccccc2)CC3)cc1 8156286 QVEYBVFARGJUEV-UHFFFAOYSA-N 423.516 5.499 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O 13543181 UQPYXHJTHPHOMM-NIBOIBLTSA-N 416.646 5.539 30 40 HKEB in-vitro CCCCCCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 18155355 YFGSQKLSCWBZLJ-UHFFFAOYSA-N 421.541 5.495 30 40 HKEB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)ccc1OC 25076408 PFGGPRDFRBTNED-QFIPXVFZSA-N 423.553 5.907 30 40 HKEB CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 28538015 BAHIJPSQSKWCJX-QHCPKHFHSA-N 403.607 6.280 30 40 HKEB S=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)Nc1ccccc1 58823342 NKNUPOBGEZEZHG-YZSQISJMSA-N 411.530 5.739 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 97940015 ICKGEVXARDSLSW-HXUWFJFHSA-N 423.597 6.661 30 40 HKEB CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 98008950 JOGZSNJPAGKFGP-VWLOTQADSA-N 417.553 5.991 30 40 HKEB Br/C(=C/c1ccccc1)C/C=N/c1ccccc1-c1nc2ccccc2[nH]1 100723996 CJWCXUXQYVGGGY-OVSBSPABSA-N 416.322 6.758 30 40 HKEB O=c1c(/C=N/CCc2ccccc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 103539916 YXNDBRFQHLQFLX-YZSQISJMSA-N 424.529 5.104 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 118916159 XNIHMWPAFYIFGK-WISZKZHUSA-N 410.985 6.226 30 40 HKEB CN(/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118927470 FJXSGEDXKWIWEK-GYHZOGHLSA-N 407.598 5.589 30 40 HKEB Oc1c(/C=N/c2ccc(Br)cc2Br)ccc2ccccc12 409053484 KFQBEKSUFVILHR-KEBDBYFISA-N 405.089 5.821 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409101966 ZRVIQDWBTLHQIA-PTGPUUDJSA-N 401.816 5.386 30 40 HKEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 409156112 RSPPGJIECLPUNM-CLCXKQKWSA-N 404.819 6.088 30 40 HKEB CCCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC 409203701 XHZOHXIYKJZAHO-CIAFOILYSA-N 423.294 5.456 30 40 HKEB C=CCOc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409292221 SNOLXCPDXAJZEW-UHFFFAOYSA-N 421.456 5.257 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OCC)c3)c2C)cc1 843459 GOCWWSQOFLXQLP-WGOQTCKBSA-N 418.493 5.198 30 40 HKEB COc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O 3113141 GKCMZBYPWCMTRF-BHGWPJFGSA-N 413.260 6.266 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O 4869639 YQUPKFFMVYWKGH-XHSKXDHISA-N 422.598 5.085 30 40 HKEB C=CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 5382806 TXAYMNMGKGLYII-WSDLNYQXSA-N 401.329 5.576 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1 6720114 IGASNRIXGKPJNY-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB COC(=O)Nc1sc(N/N=C/c2c(F)cccc2Cl)nc1-c1cccs1 8868782 WEXHPAGKOAIKRT-UFWORHAWSA-N 410.883 5.288 30 40 HKEB Cc1c(OC(=O)C2CCCCC2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8992508 WQCUBOWTACBHBQ-OEAKJJBVSA-N 415.489 5.589 30 40 HKEB O=C1CCCC(OC(=O)c2ccc3ncccc3c2)=C1Sc1ccccc1[N+](=O)[O-] 13282915 CATJWVUIDFBEON-UHFFFAOYSA-N 420.446 5.057 30 40 HKEB CN(C)c1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N/c2ccccc2)cc1 18118319 DJWXJQJTFZVOEH-NUJSLWOLSA-N 416.575 6.051 30 40 HKEB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132716 CARBEWXCDALLEZ-RNEAKCBISA-N 411.552 5.159 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1cc([N+](=O)[O-])ccc1Cl 39921294 WFNWNOFWWWTYDA-FQEVSTJZSA-N 414.914 6.150 30 40 HKEB C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 100071706 DKTAXNFSRHLSEC-UHFFFAOYSA-N 420.644 5.948 30 40 HKEB CC/N=C1/S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC 100203517 ILVAEVGKPQQNAQ-FYCBZXFJSA-N 407.514 5.141 30 40 HKEB Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c(C)c1 101650597 XEHYYJGMMUAIAJ-VQERKYHCSA-N 423.582 5.325 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)o1 135983506 KIUZIDXIWNRECW-RCRSJKOXSA-N 411.464 5.038 30 40 HKEB O=[N+]([O-])c1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(O)cc4)cc3)cc2)cc1 245241309 ZZSCOBSBVCVPGZ-UHFFFAOYSA-N 421.456 6.469 30 40 HKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccc(F)cc3F)o2)sc2c1CCCC2 408600604 DXHKREHFPWSLBK-ROTLSHHCSA-N 415.461 6.092 30 40 HKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NC1CCCCC1 408817812 WJBNMKSJZXHKQC-CFRMEGHHSA-N 405.325 5.572 30 40 HKEB CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408874576 CARUVMPXQKJAAM-PNKJTKAASA-N 418.606 6.993 30 40 HKEB C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 408935868 DXKBBPZJEVNKKI-RUGMJDSKSA-N 420.556 7.137 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408960618 NGFSQKXDSKASND-FSJBWODESA-N 410.813 5.276 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 408985379 LRTUHGHVOIQDGQ-ZHZULCJRSA-N 422.594 6.187 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)o2)cc1 409021735 VRUVIOJHRGFOLW-ODLFYWEKSA-N 405.866 5.363 30 40 HKEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(Cl)c1 409078880 DMJJTZZLAZVRMY-MOSHPQCFSA-N 419.864 5.272 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409199877 FIFSUWMZPGYENF-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CCCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C 409208227 AYJCYFFCKZEEBH-RGVLZGJSSA-N 411.137 6.059 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O 409243146 ZBFICJCMCAZBLI-HMAPJEAMSA-N 421.566 5.194 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4ccccc34)c2C#N)C1 1104798 VYGPTVDWAIFAEH-ZDUSSCGKSA-N 405.548 5.025 30 40 HKEB C=CCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)N(C(=O)CC)c1ccccc1-2 2122467 WOBUHFKOMOJJBN-HXUWFJFHSA-N 424.551 5.021 30 40 HKEB Cc1cc(NC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)n(CCC#N)n1 3238899 HRUNWTPRQVLCSU-XSFVSMFZSA-N 408.864 5.077 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 5174177 XHENOCMBZDKAEI-WQRHYEAKSA-N 401.871 5.154 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc(F)c1 5376973 POLBIKLOFUFPCK-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB C=CCNc1nc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cs1 7780393 DVBKNGOLFAROKY-NRFANRHFSA-N 406.507 5.139 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(C(=O)OC(C)C)c1 8811724 CSIIKDHSTVALSU-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB CO/N=C(/c1ccc(OCCOc2ccc(/C(=N/OC)C(C)C)cc2)cc1)C(C)C 12560445 PSZHCNCSZQGCMC-OGGGYYITSA-N 412.530 5.157 30 40 HKEB C=CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15107135 UTALNSPICDNKLG-KRWDZBQOSA-N 405.475 5.152 30 40 HKEB CCCCCCCCCCOc1cc2c(cc1OCC)NC=C(C(=O)OCC)[C@@H]2O 100038206 RSRHQRPZSHOGSB-HSZRJFAPSA-N 419.562 5.511 30 40 HKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 100298175 DNCVZSRWGTUUNM-LRXZINBSSA-N 422.937 6.396 30 40 HKEB CCCCCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)nc(C)c2C)cc1 100497739 UMFPPKWUEFZTFY-ZXVVBBHZSA-N 416.569 6.556 30 40 HKEB CCOc1ccc(/N=c2/c(CCC(C)C)c(C)c(C#N)c3[nH]c4ccccc4n23)cc1 102594475 LMXXRPXNEJSLGS-FVDSYPCUSA-N 412.537 5.820 30 40 HKEB COc1ccc(Br)c(/C=N/c2cccc3cc(OC)c(OC)cc23)c1 104314855 MKPKJMRTAOPOIE-WSDLNYQXSA-N 400.272 5.379 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225765995 RFUQZUUPNRXGSP-UHFFFAOYSA-N 410.945 6.231 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1OC 253566481 IZWMNBKOEIGIHV-NUKGNJKYSA-N 424.544 6.671 30 40 HKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3C4=C(CC[C@H]32)[C@](C)(C#Cc2ccccc2)CC4)C1 253617248 FCVNCXQMMCVJBR-XPGRNLNXSA-N 416.605 6.693 30 40 HKEB CCOc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O 408722414 ILYIRPCJKUYCAQ-WGOQTCKBSA-N 414.530 6.640 30 40 HKEB Clc1ccc(Sc2oc(/C=N/Nc3ccccc3)cc2Br)cc1 408860358 TWCWNLHZANFVQT-RGVLZGJSSA-N 407.720 6.293 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408863816 URLOFMUSKKGSEX-NDENLUEZSA-N 408.454 5.294 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1OCC(C)C 408913786 NMDWAOXKVDZSIO-PGBYLALNSA-N 410.539 5.272 30 40 HKEB CCCCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 408916816 ZHUTTXXOTYBZOL-MIIQOVFOSA-N 410.539 5.416 30 40 HKEB Cc1cc(/N=C\c2ccc(-c3ccc(C#N)cc3)o2)ccc1I 409021971 GPIHNCXWOJPSIW-UUYOSTAYSA-N 412.230 5.482 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 409088557 GFUVPWSHKVSAPK-UNOMPAQXSA-N 407.828 5.403 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1cccc(F)c1 409109667 IYJWEUBRJPWKHG-UHFFFAOYSA-N 419.540 6.706 30 40 HKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 409208880 CWSKHISFYDBREA-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(Cl)s1 1531186479 FXIOUDKEOHZJHD-UKWGHVSLSA-N 424.751 5.054 30 40 HKEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 1457503 VVKGJJQYQJVWQD-CRICUBBOSA-N 416.908 6.025 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1 3025694 FVXQYYOPOFCDSO-KUZNRIHWSA-N 401.447 5.993 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)c(C)c3)nc2c1 3191548 DZSMAKLLILVCGZ-OPEKNORGSA-N 411.288 6.875 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1cccc(C(F)(F)F)c1 3260151 JFQFEMAQLLIQME-UHFFFAOYSA-N 413.420 6.085 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNC(C)C 4028770 LCUKMHPCBNPUCR-LSAVBLLPSA-N 401.591 5.662 30 40 HKEB biogenic Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)cc1 4052738 CAOCDKSZUMHVCU-UHFFFAOYSA-N 404.844 6.752 30 40 HKEB C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 4568496 QLYLUWPXWSZGAH-UHFFFAOYSA-N 408.567 5.392 30 40 HKEB CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccccc1C#N 6844745 RYVIYMNHDAKAAD-UHFFFAOYSA-N 414.958 5.351 30 40 HKEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OCCC)cc2)c(O)c1 8994425 QFQSKKAWLPNLFP-UHFFFAOYSA-N 422.481 5.405 30 40 HKEB C/N=c1\scc(-c2cccc(Cl)c2)n1/N=C/c1ccccc1Br 12602557 REIQOFVODVGIHW-OINPPHAGSA-N 406.736 5.045 30 40 HKEB O=C1c2ccccc2-c2cc(Br)c(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 18067876 QOGIWCJMXRDQHD-SSDVNMTOSA-N 407.223 5.319 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2s1 72228791 BORPGLABHDMMEJ-UHFFFAOYSA-N 424.570 5.862 30 40 HKEB CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 98008947 MQHGAGMPMHQQAN-XMMPIXPASA-N 421.972 6.636 30 40 HKEB CCCCCCCCCCN[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)C(=O)O 100933158 MUKWWTKMWZZTOR-XMMPIXPASA-N 415.618 6.491 30 40 HKEB F[C@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103538086 LFBVCLHOJNHTKE-GSVOUGTGSA-N 414.108 5.355 30 40 HKEB C=CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 224710901 NIAIISUHXVNSFD-JWGURIENSA-N 418.518 5.031 30 40 HKEB COc1cc(/C=C2/C[C@H](C(C)(C)C)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 255961445 FWEVNWJMLKPSEZ-OUFAVVDRSA-N 422.521 5.607 30 40 HKEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC 408824534 QUNMNTMNZPAACX-HKWRFOASSA-N 409.507 5.453 30 40 HKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409208285 BWPWWXSABHOXDJ-WRIATZMJSA-N 423.626 6.307 30 40 HKEB O=C(c1ccccc1)[C@]1(c2ccccc2)O[C@]1(C(=O)c1ccccc1)c1ccccc1 1660088 VHTHEVZGLMYPQQ-NSOVKSMOSA-N 404.465 5.573 30 40 HKEB COc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4182819 CQJHVPBEDACSGY-RUZDIDTESA-N 414.505 5.562 30 40 HKEB C[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 4254224 FJVNKHNGQYZQEA-NSHDSACASA-N 408.836 5.611 30 40 HKEB C=CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 5382772 GGGWIZHQHGBCHC-UHFFFAOYSA-N 406.700 5.415 30 40 HKEB Cc1cc(C)c2oc(-c3cc(/N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 5538950 WFXIICJUABXDRJ-AKNWXVQLSA-N 413.433 6.141 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1 9088986 YNNPHOJZADCRAO-OAQYLSRUSA-N 403.865 5.431 30 40 HKEB Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 10187708 LCYMFRPAOPLFSN-UHFFFAOYSA-N 418.909 5.372 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c1 18265335 JNYMIGKOGRELOP-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB C=CCc1ccccc1OCCCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 21787249 HGKOBRYDRASGSZ-HSZRJFAPSA-N 417.553 5.307 30 40 HKEB C=CCn1c(SCc2noc(-c3ccco3)n2)nnc1-c1ccc(C(C)(C)C)cc1 24046188 JVLOUBPNDSFHAN-UHFFFAOYSA-N 421.526 5.364 30 40 HKEB C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccccc2)o1 36038132 LMJBAFBJSQSOCM-IJGBZFIWSA-N 415.518 5.009 30 40 HKEB Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2nccnc2c1 46085322 KUIAQSVOCUKTQC-WYMLVPIESA-N 401.469 6.050 30 40 HKEB Cc1cccc2c1NC(=O)/C2=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 46085385 VHBDOLVWGCAJRJ-UHFFFAOYSA-N 413.868 5.027 30 40 HKEB C[C@@H](Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 59303244 KALZZGPEXANQQE-XKTOGBQESA-N 403.522 5.757 30 40 HKEB C/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 96609284 ABVYNOWFMXCSBQ-BUVRLJJBSA-N 402.475 5.409 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1O 100222729 HYCBIZNCYZIPNS-VULFUBBASA-N 401.384 6.353 30 40 HKEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 102590112 OBRWDCDXYJMPEY-MRJHHRETSA-N 403.865 5.275 30 40 HKEB COc1ccc(Br)c(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c1O 254855145 GLALJNKPQZXULM-UHFFFAOYSA-N 423.266 5.722 30 40 HKEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OC(C)C 408853279 MXFMOBBKLASFIF-GRSHGNNSSA-N 416.930 5.336 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(C)cc1 408907646 BZEZLDGYHUMUFJ-YGRIDATGSA-N 408.523 5.184 30 40 HKEB COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 408971417 OESSJQRIPNAGQV-YZSQISJMSA-N 418.562 6.419 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 409214127 RHJVLNKRMWNTEV-UHFFFAOYSA-N 422.525 5.300 30 40 HKEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)c1 409287222 ZIZSLAHOYRNWNF-UHFFFAOYSA-N 409.445 5.009 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 2439378 VIKXCSQQPXRQEB-UHFFFAOYSA-N 404.308 5.325 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 4597581 HLTSFAKZSVQSFW-NIYFSFCBSA-N 418.496 5.899 30 40 HKEB COc1ccc2oc(=O)c(-c3csc(N/N=C/c4ccc(Cl)cc4)n3)cc2c1 4793070 XAMNXZMNKLXASG-LSHDLFTRSA-N 411.870 5.025 30 40 HKEB CCCCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCCC)cc2)cc1 5782676 HMWUYNPFJZLLSL-GPAWKIAZSA-N 408.586 7.058 30 40 HKEB CC(C)c1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 6590971 DCTDXTOPWKOSRX-FSJBWODESA-N 402.483 5.030 30 40 HKEB N#C[C@H](Cc1ccccc1)Sc1nnc(-c2cccs2)n1Cc1ccccc1 6849687 DYAOGRZDIGYXIP-IBGZPJMESA-N 402.548 5.282 30 40 HKEB CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n2nc(-c3ccccc3)cc2n1 8781080 RNWIQELODLHLDL-UHFFFAOYSA-N 419.344 5.983 30 40 HKEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21 9423717 DOZDALLEYFAFCN-FSJBWODESA-N 413.404 5.153 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-n2ccnc2)cc1 12601136 AAHCVWYDLXKEFF-UHFFFAOYSA-N 416.521 5.273 30 40 HKEB N#C[C@]1(c2nc(-c3ccccc3)cs2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 12612032 ODRWOUKIHMCLJQ-FYYLOGMGSA-N 416.506 5.095 30 40 HKEB C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)c1ccc(F)cc1F 12770334 GYUNULXAGBBZBF-OAHLLOKOSA-N 408.473 5.620 30 40 HKEB COc1ccc(CN/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1OC 20196083 MRQWAVCILODBJW-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2F)cc1 100137756 BJNNPQYOEMYJCE-LXGWOEDASA-N 413.448 5.317 30 40 HKEB COc1ccc(/C=C\[C@H]2CC(=O)C=C(/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC 104195359 XIRQHZXXHMDKQE-UIGRODIVSA-N 420.505 5.353 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 408591295 JLUHLFOMGOWMSE-OCSSWDANSA-N 415.496 6.265 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409101119 VMSUTOZVMNMKRY-XARWVIDASA-N 416.241 5.486 30 40 HKEB Cc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)s1 409296560 IIUGCTHHPVCVSJ-UHFFFAOYSA-N 413.424 5.334 30 40 HKEB C=CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S 409346726 LEZKRQPEJCXVPJ-FYJGNVAPSA-N 422.550 5.524 30 40 HKEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384499 CVQMORYHWWUIFY-DHRITJCHSA-N 403.507 5.355 30 40 HKEB CC[C@H]1C(=O)C2=C(CC(C)(C)CC2=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 1078241 KGZBSZSTTNWULN-HYBUGGRVSA-N 403.522 5.495 30 40 HKEB C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S 1181829 XHBDUTOZHZGRDO-NDENLUEZSA-N 408.523 5.216 30 40 HKEB Cc1ccc(S(=O)(=O)OC[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1 1705314 RHORZYHFLYVMIY-FQEVSTJZSA-N 421.345 5.839 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742244 HIAOAWDYAPFKTL-KSFYIVLOSA-N 418.587 6.217 30 40 HKEB Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 3633686 NFLBDAHSOQBDLM-AFJIDDCJSA-N 416.524 6.610 30 40 HKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1Cl 9196449 JJSJMMDNJURPDX-BHGWPJFGSA-N 406.744 6.178 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1c(Cl)cccc1Cl 16578019 NZFWBJPAMGGFMQ-OAQYLSRUSA-N 422.355 7.347 30 40 HKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl 17124098 CWOGNZLFLRLJAZ-MDWZMJQESA-N 417.719 7.122 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccccc13)C2=O 20648106 KFRKJPAFRNEXTN-BUVRLJJBSA-N 418.537 5.605 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 21722409 CYXJNQSIHSBBII-DEOSSOPVSA-N 404.510 5.248 30 40 HKEB N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1 22027802 YCMWNXIKOMYOIV-STQMWFEESA-N 400.737 5.255 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccccc3)sc2NC(=O)c2ccco2)cc1 27015859 BHUZFPBHJYIVMY-OEAKJJBVSA-N 402.479 5.410 30 40 HKEB Cc1nc(-c2ccccc2)nc(SCC(=O)Nc2ccc3ccccc3c2)c1C#N 27789314 KJORCNLMQBYZIC-UHFFFAOYSA-N 410.502 5.208 30 40 HKEB CN(C)c1ccc(-c2c3c(nc4c2/C(=N/O)CC(C)(C)C4)CC(C)(C)C/C3=N\O)cc1 28294802 RAMLSJXTYXOECV-MKYUKRCKSA-N 420.557 5.116 30 40 HKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954699 FKDSWBSCNANQIY-JOCHJYFZSA-N 417.597 6.616 30 40 HKEB CCc1ccc(/N=C2/S/C(=C/c3ccc(Cl)cc3)C(=O)N2CCCOC)cc1 97995171 XGXFIZRVCNZHLO-WJGQKVTCSA-N 414.958 5.543 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)C[C@H]2OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 103866631 CLHQHYNIOKAGEX-RMFZKBONSA-N 420.658 5.052 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 408737646 FRWAMCHTBIORLE-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)c1C 408846596 QFLXRCKLILAHSB-VULFUBBASA-N 408.929 6.156 30 40 HKEB CC/N=C1/S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1CC 408928399 ATUUVEAEFDKMKS-FYCBZXFJSA-N 423.969 5.655 30 40 HKEB Fc1ccccc1COc1ccccc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409043020 YYXQZODIYSGDNB-WMDMUMDLSA-N 412.280 5.119 30 40 HKEB CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 409045522 YXVVWGRVRPRYBP-UHFFFAOYSA-N 407.293 5.520 30 40 HKEB CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 409083394 VFDVOWBRTBQGPW-HSOLMKNUSA-N 424.566 5.463 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C(C)C)cc3)c2)cc1C 409381513 UYPFQYRKZWVJCW-JVWAILMASA-N 400.522 6.195 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)sc2c1 712949 XGFYWJZXPNESRE-FOKLQQMPSA-N 417.446 5.659 30 40 HKEB C(=N/Nc1ccc2ccccc2c1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3219651 GXPAKEWLMOJIME-FPXZEFCPSA-N 409.533 5.701 30 40 HKEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1 3283205 RBMKRAYVQKNRCA-UHFFFAOYSA-N 422.893 5.158 30 40 HKEB C=CCc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 3660965 VRRDORNSXARLDE-WGOQTCKBSA-N 420.350 6.816 30 40 HKEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 4345968 JJFNVMZGVXRYHY-UHFFFAOYSA-N 406.338 5.739 30 40 HKEB O=[N+]([O-])c1cccc(/N=N/C(=N/Nc2nc3ccccc3s2)c2ccccc2)c1 4524587 JGNHAMBOSBTXNZ-UGXHBQBLSA-N 402.439 5.762 30 40 HKEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc23)C1=O 4899075 JDNUEOWPQRBVJU-SNPIYUIBSA-N 417.534 5.093 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 5092182 VRKXLYZUKVIGKI-USMIYEOCSA-N 403.910 5.113 30 40 HKEB C/C(=C\c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H](O)[C@@H](C)[C@H]1c1ccccc1 5395651 VFUSIMKKWNMEOO-UISSGCFLSA-N 410.557 6.244 30 40 HKEB CC(/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O)=C\c1ccccc1 8821202 AUCQELDSWJXRFW-YZXVBUGESA-N 422.859 6.197 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2cccs2)cc1 9009609 BKWVWYXLCFFOBU-BXKMTCNYSA-N 411.530 5.822 30 40 HKEB CC1=NN(Cc2ccccc2)C(=O)/C1=N\Nc1ccc(-c2ccc(Cl)cc2)cc1 18191864 PXBGKWPSBMNYHL-ROMGYVFFSA-N 402.885 5.193 30 40 HKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccccc13)C2=O 20650068 ULSHRMKFWYKLSU-OEAKJJBVSA-N 404.510 5.215 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccc(F)cc1)c1ccccc1N2 21722476 WKAQWBIOPIQAGL-XMMPIXPASA-N 404.510 6.068 30 40 HKEB CCOc1ccc(C2=CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 96003284 JAUQJXJHMKWTAJ-UHFFFAOYSA-N 412.537 5.152 30 40 HKEB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1c(F)c(F)c(F)c(F)c1F 100369669 BBPVDUNVXMCAHD-UHFFFAOYSA-N 424.291 5.253 30 40 HKEB F[C@@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103538098 LFBVCLHOJNHTKE-VKHMYHEASA-N 414.108 5.355 30 40 HKEB CCCCCCCC(CCCCCCC)NC[C@@H](C)OC(=O)c1ccc(N)cc1 104098661 ZYUISRACNUIUAJ-OAQYLSRUSA-N 404.639 6.493 30 40 HKEB CCCCCCCCCCC(CCCCCCCCCC)[C@@H]1C[C@@H](C)CC[C@@H]1C 104145428 UPYOZECJBFFKFT-HPUNYJORSA-N 406.783 10.737 30 40 HKEB N#Cc1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 108384329 VLFSSTDPTHPKRM-UHFFFAOYSA-N 411.515 5.642 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12 225945184 FMVHNBQYUJPWSZ-UHFFFAOYSA-N 415.489 5.584 30 40 HKEB Cc1sc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C 408572593 KWHGJXIJBLZZKE-PKNBQFBNSA-N 407.520 5.023 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(OC)cc1 409232930 CHSJLUCGAVJZIH-GWVBHJPQSA-N 407.322 5.626 30 40 HKEB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)Cc2ccccc21 409369610 REOUWZALSDLUGG-JLHYYAGUSA-N 410.223 5.440 30 40 HKEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2ccccc2c1 2221791 IAFGBMPTWSQGQH-UHFFFAOYSA-N 405.548 5.245 30 40 HKEB S=C(NCc1ccccc1)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 2658308 PMIDBVXRSUDVEJ-CVKSISIWSA-N 403.938 5.645 30 40 HKEB CCCCCCCOC(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2Cl)cc1 3162189 XHZQTCZKWIRTJY-UHFFFAOYSA-N 424.875 6.389 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@H]2c1c[nH]c2ccccc12 5190689 GUQBYCPGJVOXRW-QFIPXVFZSA-N 401.466 5.088 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 5320603 KUPLZISPNJRMJE-PCLIKHOPSA-N 415.518 5.940 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1Cl 5477913 DSRJWSPSPVWIMD-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33557609 KHVQYSWOSVAJCC-MYKKPKGFSA-N 410.371 5.107 30 40 HKEB C#CCN(Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@H]1CCc2ccccc21 40158353 LZZBFQDIVOXQJT-DEOSSOPVSA-N 415.562 5.259 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c2ccccc12 59433582 PNOPGQKWOFYJQZ-KGENOOAVSA-N 404.491 5.139 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(C)cc1 59459545 CPEZSJDRFLMIBI-WINMZROPSA-N 417.940 5.416 30 40 HKEB O=C(/C=C1/NCCc2cc3c(cc21)OCCCO3)c1ccc(Oc2ccccc2)cc1 101370992 VMLAZSWRLXNLLJ-HAVVHWLPSA-N 413.473 5.010 30 40 HKEB CCCCCCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 102561898 IPVXAZAHGFRJQA-UHFFFAOYSA-N 421.984 6.907 30 40 HKEB CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1cc(C)on1 215720708 HPVOQJOSLXLTCP-PDYUXYPTSA-N 414.918 5.291 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Cl)c3C)c3ccccc32)c1 408541110 BNQDXKILBRJUKD-MZJWZYIUSA-N 416.908 6.189 30 40 HKEB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409219709 UCGCRGWEMMVBJO-VULFUBBASA-N 406.913 6.033 30 40 HKEB O=C1CSC(=NN=C/C=C(/Cl)c2ccc(Cl)cc2)N1c1cccc(Cl)c1 575628181 CHQQDAGMPXMMRL-LONLNEKESA-N 424.740 5.695 30 40 HKEB CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)ccc1O 720603 UMLMOYOEEJHVCW-QHCPKHFHSA-N 414.505 5.540 30 40 HKEB Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1C#N 1106143 LMYXACMLTLGJFZ-WSDLNYQXSA-N 415.518 5.314 30 40 HKEB COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-] 3092568 DURDIZMCPWGFEF-JVWAILMASA-N 423.428 6.153 30 40 HKEB c1ccc(C(=N/Nc2nc3ccccc3s2)/N=N/c2cccc3ccccc23)cc1 4084067 PQOJZLZNNMTGAY-SHPOAAFQSA-N 407.502 7.007 30 40 HKEB Cc1ccc(/N=C2\Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)c(C)c1 4856116 YAUJPMSUNNXSJN-DQSJHHFOSA-N 423.585 6.956 30 40 HKEB C=CCn1c(/C=C/c2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 5613164 UTHVETAPJRKJBX-PKNBQFBNSA-N 402.350 6.234 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 9292766 CFTQCWDZEXRHBM-JVWAILMASA-N 422.488 5.750 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc1OC 12662274 QKMKXGFMGCAXOK-FMCGGJTJSA-N 406.409 5.038 30 40 HKEB biogenic COCc1cc(C)nc(N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1C#N 15018909 CLVHUSKMECQFHX-MBTHVWNTSA-N 423.520 5.166 30 40 HKEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 20647842 VTTCOHYECGZDRL-NLLJVSSUSA-N 418.320 5.690 30 40 HKEB O=C(/C=C/Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)cc1 32100161 NHMDIPUTCUGJRG-LXNJSCKXSA-N 406.283 6.673 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 36611820 JKKLUSGJEQWZSQ-CQXUBIKQSA-N 402.534 5.823 30 40 HKEB O=C(/C=C(\Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1ccccc1 104359308 FCRUHIZHWVXVGL-QOMWVZHYSA-N 403.481 6.415 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)c1C 148322631 SENPZZHZEZNFIS-VULFUBBASA-N 408.929 6.156 30 40 HKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)c1 409021992 HGLHMLPXNADMHP-SSFUYCDXSA-N 413.502 5.669 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1F 409113719 DVQBVCBAALXBQK-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409210585 LOHZOYOJYLTQPA-MFKUBSTISA-N 404.466 5.940 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409211401 NCTOGQCRGRIAAY-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409212468 MNJJRRMSLPJCOT-QRVIBDJDSA-N 420.317 5.820 30 40 HKEB C=CCOC[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)N1 2037843787 JOYCQAOQUCAAAS-BJLQDIEVSA-N 407.480 5.046 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)cc3)oc2c1 3101024 HXQMUFLGXVILBZ-SSDVNMTOSA-N 418.365 5.076 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2C1=C(c2ccccc2)N=NC1 4117243 UAIADAVRPPOANA-MHZLTWQESA-N 419.528 6.654 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1n[nH]cc1-c1ccccc1 4149743 COIRXFUBTXTTEB-IOXBOXJCSA-N 402.273 5.098 30 40 HKEB CCc1ccccc1NC(=O)c1c(/N=C/c2cccc(F)c2)sc2c1CCCC2 4554187 PEHRYWKKVXYAAX-CVKSISIWSA-N 406.526 6.331 30 40 HKEB N#Cc1cc(Oc2ccc(-c3ccccc3)cc2)c(-n2nnc3ccccc32)cc1C#N 4593150 ORSJEBJLTBGDDM-UHFFFAOYSA-N 413.440 5.623 30 40 HKEB Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 4893215 DMEVRKVCORQGIH-ZVHZXABRSA-N 405.910 6.282 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 5901861 HGMQWAQNAZWSFI-GFCCVEGCSA-N 417.372 5.786 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nn(-c3ccccc3)c(O)c1[C@H]2c1ccc(Cl)cc1 6050223 NJLQEOZXLRLTMG-IBGZPJMESA-N 419.912 5.432 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1c[nH]c2ccccc12 12278534 SVRVDHVZFLLKCN-FRKPEAEDSA-N 421.831 5.732 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 12652569 GUHOJWMKULSAET-YPZLOKHQSA-N 418.577 6.300 30 40 HKEB biogenic CCOc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1C 15015672 SSWTXAZQGBWEJF-BOPFTXTBSA-N 417.328 5.048 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC 17147221 BEWDJFZSLSXJPS-YBEGLDIGSA-N 423.321 5.292 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 18197231 ICUIYHDOMMNLJP-HXUWFJFHSA-N 414.299 5.031 30 40 HKEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19535856 UGMVPJVUDRWHQJ-OAQYLSRUSA-N 413.945 5.430 30 40 HKEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 20761477 VKZVGQHLNLMVRV-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB CN(C)[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1Cl 27991163 MICDALOUKFQJOL-SFHVURJKSA-N 401.297 5.235 30 40 HKEB N#Cc1ccc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)cc1 34718146 VZBWCUJWGZXHNM-JWGURIENSA-N 416.480 5.950 30 40 HKEB S=C1SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccc2ccccc2c1 104311321 GWLUNVUGYRXBEC-AORWUECESA-N 423.566 7.138 30 40 HKEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 225919904 NXSYMLCLLILUFN-UHFFFAOYSA-N 421.468 5.234 30 40 HKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 408799706 HSWRNQYVTHHVNW-WKIKZPBSSA-N 416.374 5.613 30 40 HKEB CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408916174 VOPVJYOHFXLFMZ-QQXSKIMKSA-N 418.562 6.417 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl 409077988 GFXYRYIQBWUACV-SQAVSUBZSA-N 400.975 6.573 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1O 798813 WZVRUNHOAOIXLE-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB C=CC[n+]1c(Nc2ccc(Br)cc2)sc(C)c1-c1ccc(OC)cc1 1786917 UUSSDIAYHDLFKE-UHFFFAOYSA-O 416.364 5.712 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742245 HIAOAWDYAPFKTL-OPAMFIHVSA-N 418.587 6.217 30 40 HKEB COc1ccc(/C=N/Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1O 3281345 IOCWCECLIUQRHK-VULFUBBASA-N 401.441 5.012 30 40 HKEB CCN1CCN(c2ccc(/N=C/c3cc(/N=N/c4ccccc4)ccc3O)cc2)CC1 4739523 SOYNGASEPLNWAX-QDEZAUSGSA-N 413.525 5.700 30 40 HKEB COc1cc(/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)ccc1OC(F)F 7587239 HJFOIUSJSKNRLC-YCRREMRBSA-N 418.465 5.098 30 40 HKEB C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc(Cl)cc1 7981249 VEYUBIZFEDCEJQ-GOSISDBHSA-N 413.930 5.181 30 40 HKEB COc1cc(OC)cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)c1 9366975 SNQCEHCWKUJRDS-BKUYFWCQSA-N 423.472 5.485 30 40 HKEB C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1 11614468 KJYGURHIQSQPII-WQZCLVPRSA-N 423.512 7.287 30 40 HKEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1Cl 12123178 WEOLDZSXMVIHLX-LSFURLLWSA-N 422.337 5.792 30 40 HKEB COc1ccc(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1F 72025307 IEZDXDMKOPCCJZ-UHFFFAOYSA-N 404.441 5.378 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 101503486 QXHWQTXDXQAVEQ-LVCNHQDNSA-N 414.530 5.542 30 40 HKEB Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccccc2/N=C/c2cccnc2Cl)c1 215723049 NKQNLGBYMQUMCC-HSOLMKNUSA-N 423.969 6.222 30 40 HKEB C=CCSc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl 219803073 RUYIZYBONBCUAP-UHFFFAOYSA-N 412.407 5.935 30 40 HKEB N#Cc1ccc(-c2ccc(OCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1 223989929 XKZNPUSEZZVGFJ-UHFFFAOYSA-N 416.480 6.222 30 40 HKEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)S1 408884640 YPKVQWPLNSWGBE-IWIPYMOSSA-N 424.525 6.202 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1C1CCCCC1 408913403 QOLJPCIXIIUAFA-IPLYMLRXSA-N 424.997 6.839 30 40 HKEB COCc1cc(C)nc(N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1C#N 409083307 VDSPNORFHOEICV-KSEXSDGBSA-N 412.902 5.252 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2)cc1C 409379054 UUEVQCAWTDUQTC-AFUMVMLFSA-N 417.465 5.288 30 40 HKEB Cc1cccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)c1 871390 CSXBMYWCXGPRRA-UHFFFAOYSA-N 403.507 5.358 30 40 HKEB CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 1434747 LTSKAIJWRUYIQE-PIIWDFAUSA-N 424.544 6.373 30 40 HKEB N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1S[C@H](C(N)=O)c1ccccc1 1511523 HCDDIDYYVQCFTP-QFIPXVFZSA-N 411.486 5.199 30 40 HKEB O=C1/C(=C\c2ccc(-c3ccccc3)o2)CCCC/C1=C/c1ccc(-c2ccccc2)o1 2227792 KTOSWUNOTSYLBY-SRPFLQSCSA-N 420.508 7.817 30 40 HKEB CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ccccc4c32)cc1 4044538 DMUATNJCNZILTN-AREMUKBSSA-N 424.588 6.887 30 40 HKEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 4458580 BPBWXYUJJPCQEA-AECOYVPUSA-N 404.510 5.041 30 40 HKEB Cc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c(Br)c1 4658867 XFCRSKLRGWLMPB-SRZZPIQSSA-N 412.312 6.073 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 4957612 WVKUJRXKEZACKK-FTTRISJGSA-N 401.535 5.392 30 40 HKEB CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 5418514 QKRDANAXNZXDBU-ZTKZIYFRSA-N 410.517 6.651 30 40 HKEB COC(=O)C(=O)[C@H](S/C(=N\c1ccccc1)Nc1ccc(C)cc1)c1ccccc1 6044320 VRYKDWMXVNJJMW-JOCHJYFZSA-N 418.518 5.311 30 40 HKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1 9196461 SCZKDGWZEVHGAG-BHGWPJFGSA-N 406.744 6.178 30 40 HKEB Cc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1 13574979 VEQFEFJMZGSQCF-PKNBQFBNSA-N 419.531 5.397 30 40 HKEB Clc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cl 19682303 IKORQPYEYPAXPM-JVWAILMASA-N 422.359 5.715 30 40 HKEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1OC 20196232 UAYDIOFQBOUQAP-VULFUBBASA-N 411.933 5.197 30 40 HKEB CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3cccs3)N(C)C)o2)CC1 27794181 MYKPDCGRZOTXQG-FAFZWHIHSA-N 400.592 5.787 30 40 HKEB CCCP(=O)(CCC)C(C)(C)C/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 98086606 DMFZQASVUUSFEH-LVZFUZTISA-N 400.525 5.001 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc(OCC)cc1)C(=O)c1ccccc1-2 100859143 ZVYFNKYWAUPYNR-ZHZULCJRSA-N 417.461 5.480 30 40 HKEB Clc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccccc2)cc1 408722534 JTUBKHLSPWEQEQ-AFUMVMLFSA-N 409.341 7.535 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1Cl 408802081 CSWUWDSJFXYUDP-QFEZKATASA-N 424.884 5.125 30 40 HKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OCC 408902456 NZARAUKNIQKWCR-XMHGGMMESA-N 411.548 5.228 30 40 HKEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408910087 JBWMURARSBAUDH-SSDVNMTOSA-N 403.269 5.755 30 40 HKEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl 408914588 YMTLXZGFAPZDAZ-QFEZKATASA-N 418.884 6.006 30 40 HKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964202 BVYVVKYSGPKNDZ-QDTIIGTASA-N 414.475 6.251 30 40 HKEB O=C(COc1ccc(Br)cc1/C=N/c1ccccc1)Nc1ccccc1 409215017 ZFTPIEBFYOJYCS-OEAKJJBVSA-N 409.283 5.217 30 40 HKEB C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)COC(C)(C)C4 2396210 ORVRZRLFCRPIKX-UHFFFAOYSA-N 420.629 5.361 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(C(C)(C)C)cc1)Nc1ccc3ccccc3c12 3211145 NNGDEJDEMCRVPU-HHHXNRCGSA-N 409.573 7.447 30 40 HKEB Fc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 4826197 WRNUBVSSYSARIG-BRJLIKDPSA-N 411.267 6.189 30 40 HKEB CCCOc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 7449628 GOEALFLWZCODPI-XMMPIXPASA-N 423.578 6.386 30 40 HKEB CC[C@H]1CN/C(=N/c2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)S1 15453814 ZISAUCYRAURCLU-NRFANRHFSA-N 409.558 6.671 30 40 HKEB C/C(=N/N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 17210606 ZERSWHDPHXVNTN-UQQQWYQISA-N 401.539 5.257 30 40 HKEB O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 18265310 KEIBORGGPVJFFY-SHSCQTOKSA-N 413.502 5.608 30 40 HKEB Cc1ccc(C(=O)O/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 30836384 CXQDCAZUILUYRK-AZPGRJICSA-N 420.468 5.256 30 40 HKEB O=C(/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1 33376464 QDHNXKSJAWPCFD-VURMDHGXSA-N 410.313 6.880 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(Cl)cc1 100285346 OQKKEPSYJAYEHN-UHFFFAOYSA-N 422.097 8.260 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1ccccc1[N+](=O)[O-] 100524146 JKANPCXASWRTNW-MLZQUUFASA-N 417.852 6.781 30 40 HKEB CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 101427592 KEKLIWGPHZPCAK-KRWDZBQOSA-N 410.514 5.032 30 40 HKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)s1 138800254 HBYGWQHTQKIKOT-RDJLIJHTSA-N 422.579 5.234 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408673438 SCLJXLOFOJEVPR-ZRZAMGCNSA-N 424.585 6.002 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408873420 QXRUAKAUKCBBDY-NVNXTCNLSA-N 423.719 5.003 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 409201275 KWKJTGLKKCEDPC-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 409211731 OJFQGLVNTDMQKQ-RWPZCVJISA-N 420.339 7.785 30 40 HKEB COc1cc(/C=N/c2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)o1 409385512 MSUJNGRYURNVOR-AFUMVMLFSA-N 401.418 5.469 30 40 HKEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c(O)cccc1Cl 794664 ZOUQKTHFJWCFIT-UHFFFAOYSA-N 400.902 5.446 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2366707 HZKNRTGHAIPHNI-UHFFFAOYSA-N 416.525 5.342 30 40 HKEB O=C1C(=C(Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)C(=O)c2ccccc21 2549651 KQIRSOZFLOLFJG-UHFFFAOYSA-N 409.363 5.488 30 40 HKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 2602889 DYZWXCXMSIOUPI-UHFFFAOYSA-N 419.565 5.567 30 40 HKEB CCCCCCc1c(C)c2ccc(OCC(=O)Nc3cccc(C#N)c3)cc2oc1=O 3245566 JWMLVJWINCLISU-UHFFFAOYSA-N 418.493 5.113 30 40 HKEB COc1ccccc1[C@@H](CC/N=C/c1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 3999414 SLTNOYPJAFPNDM-TVNZHLSHSA-N 408.586 5.559 30 40 HKEB biogenic CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 4648586 VRMCMTQWWGYNMA-BFTVFPACSA-N 415.518 5.396 30 40 HKEB N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 7088037 PSCRPRMTQZIAGS-RUZDIDTESA-N 406.489 5.322 30 40 HKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811691 SSZAHGRTMWKDSQ-CVKSISIWSA-N 409.917 5.048 30 40 HKEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3c3ccccc23)ccc1Br 9353187 ORGNAAHSYOFZIO-WSDLNYQXSA-N 421.254 5.505 30 40 HKEB Oc1ccc(Br)cc1/N=C\c1ccc2oc(-c3ccccc3F)nc2c1 17952646 BGOTWCGRNBNRLI-KSEXSDGBSA-N 411.230 5.853 30 40 HKEB CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)[C@H](C(=O)O)C1 35898107 NUZJEQWIZIHZSO-DJIMGWMZSA-N 414.571 5.156 30 40 HKEB N/C(=N/OCc1coc(-c2ccc(Cl)cc2)n1)c1cccnc1Oc1ccccc1 58047585 LTZWEKJQQNTRFA-UHFFFAOYSA-N 420.856 5.019 30 40 HKEB CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC 59958947 NWXMNDJVSDRFHC-UHFFFAOYSA-N 424.537 5.494 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2C)S/C1=N/c1ccc(F)cc1 409241227 SDTZBMJGOAHAQB-UMUYUUQJSA-N 419.525 5.857 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 1952130 SWDXBHSIKBCPDJ-YSURURNPSA-N 401.224 6.397 30 40 HKEB N#Cc1ccccc1CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 2059293 JUMPFLAKLQECHD-UHFFFAOYSA-N 403.510 6.451 30 40 HKEB Cc1cc2nc(-c3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C 3085052 LEZQFWCSMDLLBE-WYMPLXKRSA-N 405.841 6.424 30 40 HKEB Oc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1-c1nc2cc(Cl)ccc2o1 3108865 SKAWOISMKYEQDZ-LGJNPRDNSA-N 414.848 6.463 30 40 HKEB COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N\c1ccccc1 4631238 FHEFQHQWQUQCJJ-YWROOUKNSA-N 419.550 5.473 30 40 HKEB Cc1ccc2[nH]c3nc(N/N=C/[C@@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nnc3c2c1 4713009 QYIMABHCVGWZOK-OXMAONQKSA-N 402.546 5.621 30 40 HKEB biogenic COc1ccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 4944862 VEFKJWAKBKUZIW-KRWDZBQOSA-N 423.484 5.007 30 40 HKEB COc1cc(/C=C2\S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1O 5175300 GIHVLLGPBSDCRL-BRBBDLJVSA-N 402.475 5.209 30 40 HKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 5491396 MLJURJYTLVVIER-QFIPXVFZSA-N 417.892 5.161 30 40 HKEB CC[C@H](/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C 5545990 KVPXFJKDHHAEGO-FCQUGJPQSA-N 421.759 6.619 30 40 HKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 6565705 MLJURJYTLVVIER-JOCHJYFZSA-N 417.892 5.161 30 40 HKEB Cc1ccc(CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1 6715222 IETMMCRIWWAKPW-UHFFFAOYSA-N 402.416 6.379 30 40 HKEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)c3n2CCC3)cc1 13758208 BSMWPZIMMDJVGS-UHFFFAOYSA-O 424.524 5.128 30 40 HKEB CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 36611410 MIOHJOWFJSHHLX-ZVBGSRNCSA-N 412.849 5.035 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)(C)O 38791498 KJKIIUAXZGLUND-QVKZFZTCSA-N 412.658 6.756 30 40 HKEB CCCCCCCCCCCCCCCCOc1ccc2c(C)cc(=O)oc2c1 100505548 NNSZCOQRSLNMKW-UHFFFAOYSA-N 400.603 7.962 30 40 HKEB CCCCCCCCCCCCS/C(=N/c1ccccc1)NCc1ccc(C)cc1 100604122 OBOJOQCGMMJZCX-UHFFFAOYSA-N 424.698 8.426 30 40 HKEB CCCCCCCCNCc1cc(Br)cc(Br)c1OCC 102561698 TUFHMOFRGGCGPG-UHFFFAOYSA-N 421.217 6.060 30 40 HKEB O=C(Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Cl)cc1)c1ccccc1 104160964 KOIURPNEHOAIAI-MSXFZWOLSA-N 404.680 6.617 30 40 HKEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(F)cc1F 105759599 ZIOQWBKIRZRSPG-FZDBEATHSA-N 421.419 5.065 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl 408765517 YCSCJMAVEIGLCQ-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(I)cc1 408774345 VEGJHOFEUTVVSN-UUYOSTAYSA-N 418.253 5.588 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S 409339393 UVIJICDWSBEVDU-PXLXIMEGSA-N 417.555 5.806 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 1077488 PTWJTSZVMVQGEI-NIYFSFCBSA-N 414.936 6.628 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc(Cl)cc1 1079612 YVVZILFNELWVGQ-MRXNPFEDSA-N 415.867 5.782 30 40 HKEB Brc1ccc(-c2nc3cc(/N=C/c4ccc5c(c4)OCO5)ccc3o2)cc1 1431053 IZQYUQYNQKVONU-FOKLQQMPSA-N 421.250 5.737 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(C)ccc2C)cc1 1437512 ROIILOHVTVRSFY-LYZGTLIUSA-N 408.545 6.591 30 40 HKEB C=CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1781635 XQWQHMRTCZWSIO-UHFFFAOYSA-N 418.562 5.588 30 40 HKEB biogenic CCCOc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2335251 PDELRUUPPXBMPP-NHDPSOOVSA-N 407.326 5.212 30 40 HKEB O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccc(Cl)cc1 2415889 UGQUZWXIABZDFB-QHCPKHFHSA-N 400.865 6.570 30 40 HKEB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2737881 JYLQERGOJFRNAE-KGLIPLIRSA-N 416.974 5.830 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1ccc(Sc2nc3ccccc3s2)o1 4187944 UOPBDNBAUOPMJP-RGVLZGJSSA-N 408.533 6.096 30 40 HKEB COc1ccc2nc3c(cc2c1)CN(C1CCCCC1)/C(=N\c1ccccc1)S3 4858994 JUTKSUACVOZCAJ-OCOZRVBESA-N 403.551 6.172 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc2ccccc12 12467216 SZHDJIIWZSYFIW-NFKSOIJDSA-N 412.489 5.071 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)NC1CCCCC1 16268100 WKMDLAIVAVCXSJ-LJQANCHMSA-N 416.352 6.412 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 16451120 PHILFMMEEVFMMS-GZTJUZNOSA-N 415.301 6.145 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)c2C#N)C1 17093812 FIYQRLRFJQOLHR-VIFPVBQESA-N 424.378 5.178 30 40 HKEB C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19892187 JNDKXXHGZCUVGZ-UHFFFAOYSA-N 405.538 5.225 30 40 HKEB CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)NC1=O 100307579 MFFFCCQIZQOHHW-AREMUKBSSA-N 414.634 6.983 30 40 HKEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 102525713 NTFIXDODTUVGPY-HOGKFDNTSA-N 417.892 5.583 30 40 HKEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 219804716 KALSBRBMFYOIDW-GOSISDBHSA-N 416.546 5.708 30 40 HKEB COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 408967171 SXSRPFGEGFXPAT-FYJGNVAPSA-N 421.497 5.133 30 40 HKEB CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408990942 XDKDVUUDYRPBTQ-YSMPRRRNSA-N 422.550 5.689 30 40 HKEB CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 409084479 PMCGRJYBTLIMTO-HATACVMWSA-N 401.875 5.262 30 40 HKEB O=C(O)c1cc(N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)ccc1Cl 409208053 AKUAZWDBQFTSOX-YSURURNPSA-N 408.763 5.763 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1O 868333 LKZZXIHLXPYZSR-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB CCCCCCCCOC(=O)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 2193178 RUWVRMDFGDKZFZ-HXUWFJFHSA-N 418.002 7.175 30 40 HKEB CCCCCCCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1 2284629 LZQSKBZFGXSWOV-QFIPXVFZSA-N 421.541 5.038 30 40 HKEB N#Cc1cc(C(=O)C(F)(F)F)c(-c2cccs2)nc1SCc1ccccc1 3174872 LKXPBEGLXFGDIU-UHFFFAOYSA-N 404.438 5.719 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc2cccnc2c1 4710539 RQNQZVPVKYCLGD-XMMPIXPASA-N 405.501 5.984 30 40 HKEB c1ccc(C(=N/Nc2nc3ccccc3s2)/N=N/c2ccc3ccccc3c2)cc1 4832869 PSWUEFWOOWYBOV-SHPOAAFQSA-N 407.502 7.007 30 40 HKEB CC(C)c1ccc(/C=N\N=c2\scc(-c3ccc(Br)cc3)n2C)cc1 5009659 DRKRTBRLYKGOQD-LLHKDXIHSA-N 414.372 5.574 30 40 HKEB CCCOc1ccc(/C=N/Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 6500671 NDDZCUHLMLUNTQ-OVVQPSECSA-N 424.504 5.751 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 8449941 UFFPJNLAWXTYOJ-WKZKVMAPSA-N 411.542 5.268 30 40 HKEB O=C(N[C@@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 12558736 RYDILFMFMIUVNX-ICFMYMMBSA-N 404.513 6.018 30 40 HKEB COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccccc3F)n1)C2=O 12765074 ZFFSULBVFKVNGV-WJDWOHSUSA-N 422.481 5.188 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(F)cc1 16730216 WPLYYSWLTFWORG-UHFFFAOYSA-N 422.834 6.724 30 40 HKEB Cc1nn(-c2ccccc2)c(O)c1/C(=N/Nc1ccc(Cl)cc1)c1ccccc1 18191900 MTUWTTZVXXCAJJ-XTCLZLMSSA-N 402.885 5.404 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccccc1 34876180 KVDCTBMOLLKBGA-QHQVFXOCSA-N 411.552 5.079 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59248267 FQTSBHZVRRRBAF-SRZZPIQSSA-N 406.732 6.906 30 40 HKEB CC(C)N(CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 61991225 LTKDFKKKYXDIAU-XDIPAPSNSA-N 417.593 5.998 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)cc1 100212077 FVKZYLRWIHZRKN-DHRITJCHSA-N 415.320 6.328 30 40 HKEB CN1/C(=C\C(=O)CSc2nc3ccccc3n2C(F)F)C(C)(C)c2ccccc21 102853555 JIGIEWFBIWLLCB-UNOMPAQXSA-N 413.493 5.404 30 40 HKEB C[C@@H](O[C@H]1CCCCO1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929500 IOBZAMAGLIOWSA-VCKMKLJQSA-N 400.603 6.066 30 40 HKEB COc1ccc2c(c1)-c1nc(/N=C/c3c4ccccc4cc4ccccc34)sc1CC2 408722607 MARDJBHUGSFLBY-LQKURTRISA-N 420.537 6.974 30 40 HKEB CCCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 408912868 LZWLZVFSZUGRCW-PVTBXJRFSA-N 415.356 5.772 30 40 HKEB CCN(CC)c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 408979494 RDAYUYCFIFCEMB-OVVQPSECSA-N 417.622 7.455 30 40 HKEB O=C1/C(=C\c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)Cc2ccccc21 2182239 AJCRCOONDLYRKW-DHDCSXOGSA-N 415.798 6.369 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc45)ccc3o2)cc1 3139407 NGVHOSZWKQUGAR-VULFUBBASA-N 423.428 6.321 30 40 HKEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O 13682070 DXPPAEMYKRCBQW-GRSHGNNSSA-N 406.309 5.547 30 40 HKEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C\Nc1ccc2nc(S)sc2c1 16687942 GJKVVOOWRXSZMF-FUNAXGEOSA-N 418.927 5.172 30 40 HKEB Cc1cc(=O)[nH]c(N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)n1 17920201 SCHPQUDXJOABNN-WPWMEQJKSA-N 419.488 5.135 30 40 HKEB Cc1cc(C)c(C2(C)CC(/C(=N\NC(N)=S)c3cc4ccccc4o3)C2)c(C)c1 33305840 BAXRJHCWTRFYQW-XTCLZLMSSA-N 405.567 5.263 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4O)c(C)c3)oc2c1 67321394 YNGOCHAKKVBUSO-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB CCCCCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F 103531170 KOWXTSCYBFDLEA-QZQOTICOSA-N 412.571 9.782 30 40 HKEB Cc1cccc(OCc2nc(SCc3cccc4ccccc34)nc(N)c2C#N)c1 223685963 MFKAPKYVUNFKOB-UHFFFAOYSA-N 412.518 5.263 30 40 HKEB CCn1c(N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)nc2ccccc21 408692617 QSLKHYNMAXDYFG-JVWAILMASA-N 407.521 5.814 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 408917605 YGSUPGJOISTBJF-BUVRLJJBSA-N 422.509 5.512 30 40 HKEB Clc1cccc(Cl)c1COc1ccc(/C=N/Nc2nc3ccccc3o2)cc1 408982248 CXOPVQHWCMPKBQ-WYMPLXKRSA-N 412.276 6.160 30 40 HKEB CCOC(=O)COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409093136 YAXSTZQCDJIWQZ-OXVLKEGXSA-N 424.566 5.463 30 40 HKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1C1CCN2CC1 409212756 QUBMTIJWCZSGOY-ODCIPOBUSA-N 407.282 5.283 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(Br)c3)c2C#N)C1 409218894 XVQYYDBUXDMQSV-IIHGDPFSSA-N 401.373 6.284 30 40 HKEB O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1F 1076738 PONAAEXASXUWMG-ZDUSSCGKSA-N 420.303 5.177 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4c(C)cccc4o3)c2)c1O 3114279 WSTXCVJKSMHPCQ-FSJBWODESA-N 403.394 5.176 30 40 HKEB Cc1ccccc1-n1cccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 6614758 NVIZWVXZELFRSS-OVVQPSECSA-N 404.473 5.045 30 40 HKEB C=CCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl 9195025 SUPFQXXBJFRBDP-UFFVCSGVSA-N 414.130 5.444 30 40 HKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 9264166 XCWYBDAEIQBXTP-MHZLTWQESA-N 410.517 5.876 30 40 HKEB CCc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 9762136 JDDDJYZBQYAHAJ-WYMPLXKRSA-N 421.840 6.075 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 15657803 OFHCOWSQAMBJIW-AOSUDXALSA-N 400.647 6.590 30 40 HKEB FC(F)(F)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19861283 OBMMSIXSLVUGHO-STBIYBPSSA-N 421.466 5.427 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N[C@H](C)c4ccccc4)o3)o2)cc1C 33027073 VFJPIRLDEFODTN-GOSISDBHSA-N 413.477 6.175 30 40 HKEB CCCCCCCCCCCCNC(=S)NCCCCCCCCCCCC 100076976 NWFVONWTBGQHGT-UHFFFAOYSA-N 412.772 8.292 30 40 HKEB CN(C)c1ccc(/N=C(/C#N)c2cccc(/C(C#N)=N\c3ccc(N(C)C)cc3)c2)cc1 100368391 MENPARZFJLXAQL-IDDWGTJGSA-N 420.520 5.107 30 40 HKEB O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1CN1CCc2ccccc2C1 100437403 KCLCUVKZAYXUAJ-OHYPFYFLSA-N 417.512 5.323 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cccc(Cl)c1)C(=O)c1ccccc1-2 100752534 ZLGNXQDIPZCPQZ-PDGQHHTCSA-N 407.853 5.734 30 40 HKEB CC(C)(C)C1=C/C(=N\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)C(C(C)(C)C)=C1 101183704 JBJSTMQYZHVVSL-QUPMIFSKSA-N 423.641 7.587 30 40 HKEB CCCCCCCCCCCCCCCC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] 104103082 SYMPNUSVNHJJER-ZZIIXHQDSA-N 423.641 9.329 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 198074676 IHEYKHXHRYFGBB-VKLJRCAFSA-N 414.549 6.960 30 40 HKEB C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)c2ccccc21 408916747 YZQLONCOTRQYFL-FTJNEJEMSA-N 401.535 5.841 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409210245 JIYLCNNNVKWMOV-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Br)cc1 409213651 VFTRGYPRYMDASR-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 409244065 WZCJJLKSKQCHMH-XMFNYGHISA-N 416.930 5.371 30 40 HKEB C=CCOc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)cc1 2055739450 YYNCHEPREQCEKX-UHFFFAOYSA-N 424.544 5.577 30 40 HKEB C=CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1cccc(C)c1C 1878928 LHUJBXBANOVYNH-UHFFFAOYSA-O 400.365 6.012 30 40 HKEB Cc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3C)cc2)cc1 2848881 IWPLMUOMCUYAAS-OQIGUVFWSA-N 402.541 7.395 30 40 HKEB C=CCN(C(=O)c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 3218149 ZLXPXKIFMHPEIA-UHFFFAOYSA-N 402.563 6.691 30 40 HKEB C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 4081762 GRBHNQFQFHLCHO-QWJJAYLBSA-N 424.713 8.233 30 40 HKEB biogenic N#C[C@@H](c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccccc1Cl 8857105 XTOBHZKOWUALDS-LLVKDONJSA-N 415.724 5.976 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1ccc(Cl)cc1 8969980 YJFOAGWLAKLLFV-HXUWFJFHSA-N 420.900 5.237 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)c(C)c1 107701893 WNVQDSKSKWHVFP-BKUYFWCQSA-N 409.530 5.243 30 40 HKEB N#Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 247642278 IAAAPUNHBWWOOL-UHFFFAOYSA-N 401.485 5.316 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253528864 VIELWYIXEODCTJ-JBWAWTCQSA-N 405.626 6.748 30 40 HKEB C=CCOc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC 408535860 XOFGTPJIZSANQY-SFQUDFHCSA-N 417.939 5.319 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408864059 SBJCTYAMDQCTPJ-ZDLGFXPLSA-N 402.903 5.027 30 40 HKEB COc1cccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1 409077269 DOQBHOMNWDIYPG-QRVIBDJDSA-N 411.845 5.282 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Br)cc1 409203271 WVPSLIUFQLAYRQ-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 409208329 AQPLMLDATIVJBG-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 409214794 YWBPMLDNOYMCJM-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CCCCc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409384599 CZIZUEUFVUUSHJ-MTDXEUNCSA-N 414.549 6.414 30 40 HKEB C=C(C)CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 2369360 UVDHFWAPNKXUHB-KRWDZBQOSA-N 414.531 5.028 30 40 HKEB Cc1c(/C=N/c2cc(-c3ccccc3)ccc2O)c(O)n2c(nc3ccccc32)c1C#N 2761095 ZBATYHQQEXPDET-RWPZCVJISA-N 418.456 5.496 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/c4cccc(Cl)c4Cl)ccc3O)nc2c1 3032366 OPRSNYXVZYQWHS-BRJLIKDPSA-N 411.288 6.820 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1 4491596 GQZNYDWOEPMYKG-PXLXIMEGSA-N 400.503 5.466 30 40 HKEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl 6553801 PHBJCPBONAJPEI-NRFANRHFSA-N 403.865 5.431 30 40 HKEB CCOc1ccc(N/N=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 9109806 UWYKRYMEQIRJCY-UQQQWYQISA-N 417.321 5.855 30 40 HKEB C[C@H]1CCC[C@@H](C)N1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12616474 KCOZLJQVDFYVOB-OCUJCMTCSA-N 407.561 6.894 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Cl)c2)cs1)c1cccc(C)c1C 12938896 KMAIVFTUYYTSBZ-ZHACJKMWSA-N 410.926 5.994 30 40 HKEB CCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@@](C)(=O)O1 14285765 XXNJOXORYIWEPW-AJTFRIOCSA-N 404.596 6.782 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O 16688211 NEQNOSWGXADXFN-DHRITJCHSA-N 422.937 6.780 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C/c1ccc(OC)c(OC)c1 33354894 HNYZYMDJMVNFIH-ZZIIXHQDSA-N 417.678 8.384 30 40 HKEB C#CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(Sc2nnc(C)s2)cc1C 72273312 XLKKQCUMOUAKGS-UHFFFAOYSA-N 422.579 5.282 30 40 HKEB Cc1ccc(C(=O)Nc2sc(N/N=C\c3ccccc3)nc2-c2ccccc2)cc1 96346602 QPLLCMUTTJOWLD-XYGWBWBKSA-N 412.518 5.817 30 40 HKEB C=CCC(C(=O)Nc1ccc(OC)c2ccccc12)(c1ccccc1)c1ccccc1 225935620 MFXMMZAKWWLRDT-UHFFFAOYSA-N 407.513 6.349 30 40 HKEB N#Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 408537577 FUFKRKSUOUINBS-UHFFFAOYSA-N 401.485 5.316 30 40 HKEB C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccccc1 408590213 GTUMWSYFWDPKHN-OGLMXYFKSA-N 412.489 5.425 30 40 HKEB Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)ccc1Br 409017424 ZTLCETYNXXHPEL-SRZZPIQSSA-N 422.800 7.374 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OC 409203796 YCBJHUTXOADBJQ-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB N#Cc1c2ccc(Oc3ccc([N+](=O)[O-])cc3Br)cc2n2ccccc12 1383662 JAXOGDSMZLSLMR-UHFFFAOYSA-N 408.211 5.427 30 40 HKEB O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)Sc2ccccc21 2155907 UVNUJQAWBGMKJA-FMCGGJTJSA-N 419.908 6.812 30 40 HKEB CCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N 2239329 XFWAHRHVYPGJPH-UHFFFAOYSA-N 408.910 5.596 30 40 HKEB Ic1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 2816598 VAXZPYVIRCDYQV-HYARGMPZSA-N 413.258 5.621 30 40 HKEB Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3cccc(Br)c3)cc1)C2 2903032 HYOPTKGITDVDGI-DHRITJCHSA-N 405.339 6.337 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1OC 4863792 HFIILNNMPAKGRC-ZRDIBKRKSA-N 416.502 5.514 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 5383712 HQGZRMDHWMCJOE-LLVKDONJSA-N 417.918 5.585 30 40 HKEB Cc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(C)n1-c1ccc(Cl)cc1 6266105 HCWWZKCUOXHGGE-LGJNPRDNSA-N 409.320 6.395 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1 9144478 YTXWEGSCPKPUCC-MZJWZYIUSA-N 421.460 5.592 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3Cl)c2C#N)C1 14070724 NXAJLMINDUSPCU-NWDGAFQWSA-N 422.381 5.341 30 40 HKEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2c(-c3ccccc3)nc3sccn23)c1C 14074866 HEPYODXEMXFKAN-ZHACJKMWSA-N 419.506 5.081 30 40 HKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1Cl 14088253 RLHGSTNLEODFHB-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C\c3sccc3C)sc3c2CCCCC3)cc1 15945617 KEWAXVQQALAOGV-OYKKKHCWSA-N 424.591 6.398 30 40 HKEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16687959 AFVVCISJKTUEPY-DVESRUBUSA-N 421.305 5.537 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2Cl)cc1 17159793 RROVVWDTMRSTRF-FQEVSTJZSA-N 407.853 5.020 30 40 HKEB O=C(C(=N\c1ccccc1)/C(=N/c1ccccc1)C(=O)c1ccccc1)c1ccccc1 18068357 WQMMIFSPFCPWEG-IDDWGTJGSA-N 416.480 6.298 30 40 HKEB COc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2 19536012 MQRZYRHVGQUJIA-QHCPKHFHSA-N 423.553 5.175 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N/c2ccc(C(=O)O)c(Cl)c2)cc1 59105166 XEFFRUFMQYIHCD-WYMPLXKRSA-N 409.825 5.066 30 40 HKEB COc1ccc(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1 102957365 XKUNUVHDHPXRAD-ZTKZIYFRSA-N 402.497 7.057 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(OC)c1OC 104380368 VPGOFBXKYLEISN-HKOYGPOVSA-N 407.624 5.423 30 40 HKEB CCCCc1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408543730 SODFPKXFAGRLNG-RDRPBHBLSA-N 424.544 6.569 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc(C)c1Br 408761008 BQPXTZFQPGPGGP-DHDCSXOGSA-N 421.747 5.611 30 40 HKEB CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC 409201659 NHQUCXAQNSSXKF-CIRUFVMISA-N 410.583 6.319 30 40 HKEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N/c1ccc(F)cc1 409240617 UQROBSDXTDERRX-DZHGSHHNSA-N 420.893 5.120 30 40 HKEB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)SC1=S 409327032 GVRSDAKCGFTFJB-UDWIEESQSA-N 402.500 5.533 30 40 HKEB Cc1cccc(C)c1/N=C1\S[C@H](C)CN1C(=O)Nc1cccc(C(F)(F)F)c1 855910 GTEMFJHQNRZEFW-WMAQNELBSA-N 407.461 5.979 30 40 HKEB C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 2309139 MIMQZCHVTMZCOA-QGZVFWFLSA-N 420.644 5.804 30 40 HKEB Cc1ccc(NC(=O)c2ccccc2NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2756113 PCKJKDJDRJBDDV-UHFFFAOYSA-N 422.300 5.019 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1 4312024 SORJVTOMIBGAMW-HXUWFJFHSA-N 418.518 5.160 30 40 HKEB CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1cc([N+](=O)[O-])ccc1C 4455805 LLEFFDVJFJARSU-FLFQWRMESA-N 422.554 6.184 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)cc1 4738833 NFZLABBSCIYSHJ-WGOQTCKBSA-N 418.493 5.198 30 40 HKEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 5477611 GRQXALVJHODWBL-UHFFFAOYSA-N 415.518 5.268 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 8277947 HQPYZTOQLRSGOY-DHRITJCHSA-N 400.305 6.640 30 40 HKEB COc1ccc(/C=C/C(=O)c2c(C)nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1 12779304 FPFUZDZZXMDMPL-XNTDXEJSSA-N 424.456 6.023 30 40 HKEB Clc1ccc(/C=N/c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)cc1 18100662 PCGPHMLKVPOBMV-VUTHCHCSSA-N 410.948 7.297 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 33905574 GNLNGRQQSUMEQL-RMORIDSASA-N 417.252 5.322 30 40 HKEB C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC(=O)/C(C)=C\C 35459246 BJWJSOYJPSJWKC-NGVJRTLMSA-N 400.559 5.528 30 40 HKEB biogenic,in-vitro CCCCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCCCC)C1 73241733 NPCJWXOLULBCOY-UHFFFAOYSA-N 419.654 5.481 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 98001408 VHPAAAUKSYVFOL-UHFFFAOYSA-N 408.542 6.221 30 40 HKEB biogenic CCCCCCCCCCCCCCCCOC[C@@H](O)CNCc1ccccc1 100238912 GSNDMWYOQDFARV-SANMLTNESA-N 405.667 6.635 30 40 HKEB CCCCCCCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 102562011 XFXOOKNDOYTJJY-UHFFFAOYSA-N 403.994 6.768 30 40 HKEB CCCCCCCCc1ccc([C@@H](O)[C@@H](C)C[N+](C)(C)C/C=C/c2ccccc2)cc1 104333485 ALDJIKHVKLWRTI-LJMGFBNHSA-N 422.677 7.049 30 40 HKEB C=CC[N@@+](C)(C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 245239855 GETBUQMZUFEKDG-CUBQBAPOSA-N 416.670 6.105 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S1 409009172 BVBHJLIBGRIWKM-ODLFYWEKSA-N 412.873 5.939 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409211952 PIUMLQYTIOHWPY-CVKSISIWSA-N 406.913 5.979 30 40 HKEB CCCc1ccc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1 585293583 JHJAIPABAGJZOU-QHCPKHFHSA-N 416.529 5.068 30 40 HKEB CCCn1c(C)cc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1C 585293894 BOZGLPFFBPAYJF-OAQYLSRUSA-N 420.586 5.319 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 786911 WDHQQXPUJIXFBM-UHFFFAOYSA-N 402.306 5.453 30 40 HKEB C=CCn1c(SCc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 2396991 LLPOWYZQULFOTQ-UHFFFAOYSA-N 402.972 5.469 30 40 HKEB O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1 3025733 IZNXCMGMEQITKU-KUZNRIHWSA-N 401.447 5.993 30 40 HKEB CCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 5156677 VTSAFDJFANBMJF-NRFANRHFSA-N 413.521 5.341 30 40 HKEB Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@@H](c5ccccc5)C4)cc3)sc2c1 5244503 CSIUBUVBSXZAEG-FQEVSTJZSA-N 410.542 6.714 30 40 HKEB C[C@@H](/N=C(\S)Nc1ccc(Cl)cc1Cl)[C@H](c1cccs1)N1CCCC1 8692019 XMHYKWUTXHOZPS-SJKOYZFVSA-N 414.427 5.978 30 40 HKEB O=c1oc2ccccc2cc1-c1csc(N/N=C/c2ccc(Cl)cc2Cl)n1 9046864 AZEYKWGBQPOURL-LSFURLLWSA-N 416.289 5.669 30 40 HKEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 9183990 SZHQKUZZMNTCRS-FQIHTKLKSA-N 424.496 6.219 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 50860204 BUPWCSSHMBJMSR-UHFFFAOYSA-N 416.613 7.315 30 40 HKEB CCCCCCCc1ccc(/N=N/c2ccc(OC(=O)OCCCCCC)cc2)cc1 68569004 DCVAHRZATBLPPU-BYYHNAKLSA-N 424.585 8.711 30 40 HKEB O/C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)=N\c1cc(Cl)ccc1F 82098400 NJNZFWAHEHCFHP-GOSISDBHSA-N 404.869 5.066 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 98001529 CSUUPXIBZUXGET-UHFFFAOYSA-N 411.502 5.926 30 40 HKEB biogenic Oc1c(Br)cc(Br)cc1/C=N/c1ccc(C(F)(F)F)cc1 100454435 MSJGEOJNRDBOGI-IFRROFPPSA-N 423.026 5.687 30 40 HKEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 408815929 TULOSWPGPRBWNT-STZFKDTASA-N 420.921 5.811 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Br)cc2C)c1C 408960225 JWCZFRQOXDPPFY-QFEZKATASA-N 409.371 6.786 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C(=O)O)cc1 409072780 SKLCTKNKSYGTIB-GDBHHJMHSA-N 408.523 5.306 30 40 HKEB CCCCc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 409103398 BHCTXVGQGGYUAL-CCVNUDIWSA-N 414.475 6.297 30 40 HKEB O=[N+]([O-])c1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Cl 409104398 YWSVAOFFYHOFCM-WSDLNYQXSA-N 403.290 6.803 30 40 HKEB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C)cc1 409171255 ZQCBQXBJYZXPJK-ASAQIREPSA-N 403.551 6.155 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1779583 BDJUXSHFHGIPLS-SANMLTNESA-N 416.590 5.851 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 2284495 OIQLNJXEZXXLOL-KRWDZBQOSA-N 418.628 5.729 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4951345 LOLKGDPOQFSHNT-MZKWWRRPSA-N 417.937 5.503 30 40 HKEB Cc1ccccc1CSc1nc(-c2cccc(C(F)(F)F)c2)c2c(c1C#N)CCC2 8857197 BPXQVEKZGYCJEX-UHFFFAOYSA-N 424.491 6.729 30 40 HKEB N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 9548959 SHHCQMQZGIFNLS-UHFFFAOYSA-N 409.533 5.141 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C\c4cc5c(cc4Cl)OCO5)ccc3O)nc2c1 16162199 XACKNEHPNGSHBS-GATIEOLUSA-N 420.852 5.896 30 40 HKEB COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 17024357 MVZHHFFBTZUAQB-XFXZXTDPSA-N 404.462 5.188 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c2ccccc21 20647031 RGVCCDYOTZZXDO-PDERCVKFSA-N 416.521 5.215 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O 27533690 ZSQXLHDFMIDYJU-OVCLIPMQSA-N 412.820 5.259 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 36649193 PRYIJAGAEJZDBO-ZXCZRWHLSA-N 402.663 6.600 30 40 HKEB biogenic,in-vitro CCCCCCCCOc1ccc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)cc1 97959610 YHJVWTOASMESJY-JWGURIENSA-N 424.566 6.023 30 40 HKEB CCCCCCCCOc1c(Br)cc(/C=N\O)cc1Br 408539407 HEKDNZKEQGPVGL-WQRHYEAKSA-N 407.146 5.759 30 40 HKEB Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 408850935 GPNQHIKENOBWBZ-XKZIYDEJSA-N 406.934 6.865 30 40 HKEB CCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 408960503 MMUBRLAIEZTNDB-YJMOJNCUSA-N 419.594 5.999 30 40 HKEB Cc1oc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C#N)c1C 409079738 LDKLLPNAIBXMSG-SSDVNMTOSA-N 406.354 5.127 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\Cc4ccccc4C3=O)c2C)cc1Br 409367754 FFHNSFQFMVJNCA-XDHOZWIPSA-N 406.323 5.987 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C#N)C1 688772 JQWPQTDNVBMVLT-FUVBFXSKSA-N 408.523 5.151 30 40 HKEB C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1800380 MPDLBBCSKWBKNK-RUZDIDTESA-N 402.563 5.461 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccc(Cl)cc1 1881569 CXPUURCVGYYXGZ-DAFNUICNSA-N 412.002 6.929 30 40 HKEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCc1ccccc1 6622340 MKWDQRGESORJRT-RPPGKUMJSA-N 401.388 5.134 30 40 HKEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2c(Cl)cccc2s1 16687958 AFVVCISJKTUEPY-ZVBPTUHVSA-N 421.305 5.537 30 40 HKEB CCOc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 102957760 POTHZHSAQAWIGJ-UXHLAJHPSA-N 420.512 7.251 30 40 HKEB C/C(=N/CC/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 104207966 FKIWUOQSVDWWAC-VOKWCDJLSA-N 422.164 5.530 30 40 HKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 245231870 LFBOEUGQWILAMO-HNOKGRQQSA-N 406.566 5.581 30 40 HKEB COc1cc(C)c(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 408548951 OBQGTUOWEKZTSW-OEAKJJBVSA-N 408.479 5.822 30 40 HKEB O=C(O)c1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c1 408910917 LYFBRVBWDCPCKW-UHFFFAOYSA-N 418.832 5.080 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408950884 UJTRKGPJZKEXDI-VROXFSQNSA-N 421.711 6.503 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(OC)c1 408979758 SCTLCDVYTWSHOJ-MFKUBSTISA-N 406.551 6.626 30 40 HKEB COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)c2c1 409007670 QEUVVDDRTCYXMF-LPYMAVHISA-N 418.518 5.365 30 40 HKEB CC(C)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 409081299 GZYQSFOMZDVOGY-OADBCFLWSA-N 415.902 5.508 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccccc2)cc1Cl 409202178 PNISGEMLYBTOAP-BRJLIKDPSA-N 420.774 6.810 30 40 HKEB Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 409211948 OUQSWPCMOHUUNW-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB C=C[C@H](C)N1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409241756 UOFATHGOGSXDPX-PCXKXAPESA-N 406.482 5.440 30 40 HKEB N#Cc1ccc(-c2ccc(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)o2)cc1 409306933 RFXDQYIJAIEIGO-UHFFFAOYSA-N 422.488 5.458 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(C)c1O 409372749 IUEVGNDYGZDEPM-KHSCPFDSSA-N 404.491 5.406 30 40 HKEB COc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1Cl 3113913 JPONCULIRCCCEW-OPEKNORGSA-N 415.251 6.700 30 40 HKEB CCc1ccc2[nH]c3nc(N/N=C/[C@H]4CC=C(CCC=C(C)C)C[C@@H]4C)nnc3c2c1 5471572 GVWCFPPDEZEYPF-YVIKVBFHSA-N 416.573 6.185 30 40 HKEB C/C(=C/c1ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](C)C(=O)C[C@H]1c1ccccc1 6488783 KTKAAPOLGAVYOZ-NMEVQIPISA-N 408.541 6.452 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 6720066 MYIRPXOYKWZIJX-FQEVSTJZSA-N 407.853 5.020 30 40 HKEB C=C(C)COc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 9824047 WFUZQFPMWSASPP-UHFFFAOYSA-N 410.695 5.075 30 40 HKEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccccc1C 17242438 VTBJKWOZSUMYPL-TYGLDRHGSA-N 421.566 5.265 30 40 HKEB Cc1c(OCc2ccc(F)cc2)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182617 NEVFHIIBVZIUSO-CFRMEGHHSA-N 413.448 5.821 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)c2C)c1C 33534098 AEOKCTQOWZOWJU-QSXAEAPWSA-N 407.564 5.585 30 40 HKEB N=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)[C@@H]1c1nccs1 33685442 TWHRGUHWSPEATI-XYJKTABCSA-N 415.543 5.564 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 100730853 PXKXUBYATLLJIS-PLXFJCCSSA-N 424.690 5.978 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103526458 IILGAUFMTOPPQW-UHFFFAOYSA-N 416.099 6.068 30 40 HKEB Cc1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 107239038 RQLDHGQXHDPAOG-UHFFFAOYSA-N 400.532 6.079 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)ccc1O 245229048 LWFIYCGPQQWUES-NEBURFLWSA-N 418.537 5.438 30 40 HKEB C=C[C@]1(C)C[C@]23C[C@H]([C@@H](OC(=O)c4ccccc4)c4ccnc5ccccc45)N2CC[C@@H]13 253676191 AUSOAUVQJQLTDO-MEQPPVNMSA-N 424.544 5.562 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 408912372 NGZJTZKBKHOOSK-FTJNEJEMSA-N 424.566 5.806 30 40 HKEB CC(=O)c1cccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1 408913565 LWFZRKRBFLERCK-UXHLAJHPSA-N 423.556 7.368 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409062406 UEDRZTRFEYGVFP-BOPFTXTBSA-N 406.290 5.799 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409202674 STAYRAKSTGCQBK-LGJNPRDNSA-N 423.896 5.993 30 40 HKEB CCCCN1C(=O)/C(=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409386281 DRQGZGVYFIVNPM-KAAJHJJKSA-N 419.594 6.038 30 40 HKEB O=C(/C=C/c1cccc(O)c1)C(C(=O)/C=C/c1cccc(O)c1)=C1SCCCS1 1083136 DPFVBVZAJWRKKJ-GFULKKFKSA-N 424.543 5.044 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 2069088 DRPWEQZUIQKYDO-BHGWPJFGSA-N 401.318 6.816 30 40 HKEB C=CCn1c(SCc2nc3ccccc3s2)nc2sc3c(c2c1=O)CCC3 3371033 RHBLCLUABKTEMU-UHFFFAOYSA-N 411.577 5.035 30 40 HKEB CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 5163521 YVUASLQDINPIKL-ARGSHCIWSA-N 409.555 5.028 30 40 HKEB Cc1c(Cc2ccccc2Cl)c(NCCC(C)C)n2c(nc3ccccc32)c1C#N 5454710 RPRYZLCLAKFSKJ-UHFFFAOYSA-N 416.956 6.370 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 5902722 CBLRWIXJTXGQGH-ZDUSSCGKSA-N 417.372 5.786 30 40 HKEB O=C(O)c1cc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)ccc1Cl 9233875 FIFRLSLSCJDTGI-UFFVCSGVSA-N 419.662 5.507 30 40 HKEB CN(C)c1ccc(-n2ccc(/C=N/c3ccc(Br)c(Cl)c3)c2)cc1 9265380 RYFYKNSUBBCSCQ-WSDLNYQXSA-N 402.723 5.710 30 40 HKEB Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccc(Cl)c4)nn32)c1 32816967 AKXSFNIQSHFKFB-NRFANRHFSA-N 418.928 5.565 30 40 HKEB Brc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 59463561 RSAPKBHUBPEGHG-BUVRLJJBSA-N 419.347 6.990 30 40 HKEB CCCCCCCCCCCCCCCCCCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 104155932 LQOYKQHSYJNBKA-KIHHCIJBSA-N 419.650 6.410 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(F)(F)F 225955860 KQMPERSTBIABMC-UHFFFAOYSA-N 403.444 6.029 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c(OC)c1 408914249 NPJKHXXGIUBTPW-ZTYBVADTSA-N 410.539 5.272 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)cc1 408967223 RCOBJQLZSBXGHD-DHRITJCHSA-N 409.869 5.685 30 40 HKEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409063997 AYVDPIZACOMSGU-CYUIRQCWSA-N 401.940 6.102 30 40 HKEB CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 409229942 AFBDFIKFYZXQEL-FYJGNVAPSA-N 422.937 6.092 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1 409320592 DMXFRVJEMCBQNN-GZIHFNEESA-N 414.303 5.203 30 40 HKEB Cc1nn(-c2ccccc2)c(O)c1/C(=N/c1ccc(Br)cc1)C(F)(F)F 3068050 GLBCLJHUKUEZPZ-KQWNVCNZSA-N 424.220 5.332 30 40 HKEB O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 4460276 AMKBWIFLWCJTRQ-ULEDHRJNSA-N 408.270 6.235 30 40 HKEB O=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccccc23)ccc1/N=C/c1c[nH]c2ccccc12 4473896 MAQJUQYHQVSXFL-GVTKGSBISA-N 407.433 6.059 30 40 HKEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 5125415 KMYSTACCJFWPNY-NQSCKRDGSA-N 415.985 5.046 30 40 HKEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 5376603 DSPSZPOLJMIHNO-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB CC(C)(C)[C@@]1(C#N)C(=O)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 5714687 KETOOGQDPNKANE-RUZDIDTESA-N 412.920 6.167 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 7496084 UVYOTSOGBBXOMJ-IBVKSMDESA-N 405.501 5.760 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccccc2)cc1 7496181 AMQNIPXNHBQKFB-FNZWTVRRSA-N 405.501 5.760 30 40 HKEB C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 8254024 PHAQPCNREUCAIQ-UHFFFAOYSA-N 400.733 5.900 30 40 HKEB CCN(CC)c1ccc(/N=C2/C=C(C(=O)Oc3ccccc3)C(=O)c3ccccc32)cc1 16678512 LWQHLNWUODCBSH-FVDSYPCUSA-N 424.500 5.382 30 40 HKEB O=C1C2=C(N=C3C[C@H](c4ccccc4)CC(O)=C3[C@@H]2c2ccccc2)c2ccccc21 18086537 BEGJEBNQQIAQSS-CYFREDJKSA-N 403.481 6.222 30 40 HKEB CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 30823018 SKEVIKLUMPXRJB-DEOSSOPVSA-N 406.526 6.003 30 40 HKEB Cc1ccc([C@@H]2c3nn(-c4ccccc4)c(C)c3C(=O)C=CN2c2ccccc2)cc1 40385413 GZKWUEUJNQTFGL-HHHXNRCGSA-N 405.501 5.795 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCC 95627927 SASYSVUEVMOWPL-NXVVXOECSA-N 422.738 9.708 30 40 HKEB in-vitro CCN(CC)[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(C(C)(C)C)cc1 96346423 HIQPKOZLCYDEFP-HSZRJFAPSA-N 416.569 6.006 30 40 HKEB COCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 100280142 CIURMPBTCGJDHB-UKUDRTMLSA-N 407.322 5.244 30 40 HKEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 110451194 ZFTRMUJBIUSSJI-YBFXNURJSA-N 416.304 5.487 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@@]21C 118934656 HANWTWIRKYRHGG-XOYDCCMOSA-N 414.674 7.729 30 40 HKEB Cc1cccc(Cc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)c1 223670654 GBGUVSUJTWZSKP-UHFFFAOYSA-N 415.349 5.429 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)S2)cc1 408602448 NZCINSAYWKFTFJ-YBFXNURJSA-N 412.873 5.939 30 40 HKEB N#CCOc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 408811771 KSVPQCONBHQANU-QQXSKIMKSA-N 421.566 5.342 30 40 HKEB Cc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408856231 PTWSXNDEJWJZKE-NHDPSOOVSA-N 406.732 6.906 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408859330 SNANVMNOTSBQCL-LYCDHAJISA-N 411.483 5.371 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)c1 408864019 WHWWRTWQOPAMLY-KISPXDPQSA-N 420.578 6.186 30 40 HKEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1F 408931396 LBUFSMAAIPMXKM-WKIKZPBSSA-N 418.390 5.878 30 40 HKEB CC(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 704889 PHURQVSHBQLNIN-UHFFFAOYSA-N 408.494 5.012 30 40 HKEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 820463 JPUYXWKZCAWBKO-FSJBWODESA-N 422.828 5.028 30 40 HKEB COc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1 885416 CQJHVPBEDACSGY-VWLOTQADSA-N 414.505 5.562 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c2ccccc21 2076292 BLUPNJCNWDHCCM-BKUYFWCQSA-N 421.953 6.180 30 40 HKEB FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2)sc1-c1ccc(Cl)cc1 2843364 OJOLPPQEIRTPIA-NUGSKGIGSA-N 401.240 6.886 30 40 HKEB C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 4104915 CZNBRGKOCBBHEM-WSHIDIMTSA-N 402.619 6.146 30 40 HKEB biogenic,in-vitro CCOC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)ccc1Cl 4113176 VGGVZVHQPNOVDN-FSJBWODESA-N 408.845 5.099 30 40 HKEB CCCCSc1nnc2c3c(c(C#N)c(Nc4ccc(C)cc4)n12)CC(C)(C)OC3 5244358 FDGORRLFKKBIEP-UHFFFAOYSA-N 421.570 5.397 30 40 HKEB Cc1ccc(-n2cccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 6613845 WFRWEGHVSLSODI-OVVQPSECSA-N 404.473 5.045 30 40 HKEB CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 6892385 DKOPLYVROXCJMB-UHFFFAOYSA-N 418.876 5.780 30 40 HKEB CC(=O)c1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)o2)cc1 12629846 RGHQJKCKVAHCJU-DPCVLPDWSA-N 424.456 6.065 30 40 HKEB C=CCn1c(-c2ccoc2C)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 12740138 CVHMMNXWESUWBZ-UHFFFAOYSA-N 422.476 5.277 30 40 HKEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCCC1 20530773 SBGDSUJTRVZRLH-QOMWVZHYSA-N 401.432 5.006 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c2ccccc21 20647044 YTEIWYKHMFUXPU-PTZPRWATSA-N 416.521 5.357 30 40 HKEB Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3ccc(Cl)cc3)nc2c1C 35291958 NNOLOKZOAZZIPG-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 59435512 HSOINELGRIJKSJ-FXVMGJAWSA-N 403.913 5.107 30 40 HKEB C/C(=C/C(=O)C(F)(F)F)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 100095106 PVPVYVKDFBUVAD-TWGQIWQCSA-N 424.728 5.993 30 40 HKEB CCCCCCCCCCCCS/C(=N/CCCC)NCc1ccc(C)cc1 100599314 VPDBAJKATFOVJL-UHFFFAOYSA-N 404.708 7.895 30 40 HKEB in-vitro CCCCCCCc1nc(C#N)c(N/N=C/c2ccc(OCCCC)c(OC)c2)o1 101411347 GGWRNVGAWYHVQU-KOEQRZSOSA-N 412.534 5.693 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 252694786 PYLBSMLISGOFKG-WGOCTFBFSA-N 418.577 6.144 30 40 HKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc1 408737765 XBNYWOZUKQZTLQ-LPYMAVHISA-N 416.344 5.807 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1c(C)cccc1C 408906709 JTRMHMMFVUZGKJ-MDIFQPDJSA-N 408.567 5.962 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC 408908844 SLEQFBNPLSLWSG-NVZLDUMVSA-N 408.523 5.272 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)ccc1OC 408915855 RAQDLEDVLOMDFE-NVZLDUMVSA-N 410.539 5.280 30 40 HKEB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC#N 409332658 QVWQQLQVVJXQKK-DEDYPNTBSA-N 424.547 5.010 30 40 HKEB C=CC[C@@H]1C[C@H]2CC3(CC[C@]2(C)[C@@H]2CC[C@]4(C)[C@@H](OCOC)CC[C@H]4[C@@H]12)OCCO3 1776011297 XWARBRAJICOSKJ-KDZAKGGJSA-N 418.618 5.564 30 40 HKEB CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077629 PIKQHZQHWDYWOE-LYZGTLIUSA-N 424.544 6.373 30 40 HKEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1-n1cccc1 1382842 YUMIWMOSNFPMDM-UHFFFAOYSA-N 403.894 6.038 30 40 HKEB CCN(CC)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 2054311 QEUIHGYNAITZIF-MUUNZHRXSA-N 424.588 6.996 30 40 HKEB C=C(C)C(=O)Oc1ccc2ccc3c(c2c1)N=C[C@@]1(O3)N(C)c2ccccc2C1(C)C 2453441 PWMAVCRGVBSWDM-SANMLTNESA-N 412.489 5.540 30 40 HKEB C/C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccc(C)cc2C)n1)c1ccccc1 4357620 FQZXLNCNTJQGAG-DXJNIWACSA-N 423.524 5.812 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nn1[C@@H]2c1ccccc1 4575911 OQPDXRJRDALZIQ-OAQYLSRUSA-N 416.550 5.229 30 40 HKEB COc1ccccc1/C=C1\S/C(=N/Cc2ccccc2)N(Cc2ccccc2)C1=O 4725739 SSYRRANTXKHBDC-IVCURSBOSA-N 414.530 5.368 30 40 HKEB O=C1ON(c2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1 4946169 RPXXGOVWXSNRAI-AREMUKBSSA-N 422.484 6.343 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1 6694225 GBZNZMQSANAGRE-FSJBWODESA-N 406.283 5.757 30 40 HKEB Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O 13758592 ZRYYPWGLFJNSIJ-GRSHGNNSSA-N 400.858 6.044 30 40 HKEB CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCc1ccccc1 33395905 NVUSMARWVUWXLK-IWIPYMOSSA-N 403.507 5.720 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 36093497 PWEBKOBRFDZTTM-MNWLEOAJSA-N 423.582 5.336 30 40 HKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)c1 59426760 ZPACJUOYORMJKU-IWIPYMOSSA-N 408.526 6.501 30 40 HKEB CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Br)ccc1O 59475452 DXSNPHPNFQAIQB-LSHDLFTRSA-N 402.210 5.713 30 40 HKEB CCC[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1ccccc1 72427528 VNWBNDPAWABFIA-AWEZNQCLSA-N 400.276 5.565 30 40 HKEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936777 JMQNBMOBRZOGHD-UHFFFAOYSA-N 406.718 5.037 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC 408533448 YQYWIHZWMWHVQC-AQTBWJFISA-N 414.914 5.195 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl 408778865 MSIKBIXDSLQCSS-MFOYZWKCSA-N 407.322 5.592 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O 408856788 DRXVJXFBEUHWHJ-BKUYFWCQSA-N 422.937 6.092 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1 409202103 OYAQUSYPPZARRN-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 409214309 WTNFOQPTLWSOBN-VULFUBBASA-N 414.332 6.894 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 2357886 JHOVRIZTHAMDIP-UHFFFAOYSA-N 414.621 5.602 30 40 HKEB Cc1ccc(N2C(O)=NC(C(F)(F)F)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 2399711 MHEDFWZPQUPICY-UHFFFAOYSA-N 420.353 5.236 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc(C)c(C)c2c1=O 5033130 UCVJEMHIZUXJFW-UHFFFAOYSA-N 411.379 5.860 30 40 HKEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCC(C)CC2)cc1 5453366 JJWZVGAIJLTYBR-UHFFFAOYSA-N 408.549 5.803 30 40 HKEB N#Cc1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccc(Cl)cc3[nH]c12 5647161 UIRXGCRNDNYIMZ-UHFFFAOYSA-N 406.872 6.540 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1C#N 10119158 WHSKJEADIVAIMS-MUFRIFMGSA-N 412.924 5.647 30 40 HKEB C=CCN1C(=O)/C(=C2\S/C(=N/c3ccc(C)c(Cl)c3)N=C2O)c2ccccc21 15015773 KGNOVCNOGNYPQF-ZCXUNETKSA-N 409.898 5.283 30 40 HKEB CCOc1cc(Cl)cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2OC)c1O 16688202 ZDKKBTPVFYMMHQ-DHRITJCHSA-N 422.868 6.012 30 40 HKEB C/C(=N\N=C(/C)c1ccc(Br)s1)c1ccc(Br)s1 17013847 JNKTVWWYRDYKSI-BGPOSVGRSA-N 406.168 5.568 30 40 HKEB N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 27562639 JEYJFXZRIGYEJP-OAQYLSRUSA-N 406.917 5.506 30 40 HKEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H](c1ccco1)N1CCCCC1 27992019 KALGTGLVQJYOMM-QFIPXVFZSA-N 412.493 5.599 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccc(Cl)cc3)nc2c1 35292314 ACYCRRXNWNAUFL-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB C=CCn1c(-c2ccc(Br)cc2)cnc1SCc1ccc(F)cc1 44085787 PBTGUPOXEQIQBC-UHFFFAOYSA-N 403.320 5.930 30 40 HKEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 89453850 LJWCZFLZVBPOGV-SWGQDTFXSA-N 420.377 5.200 30 40 HKEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2ccc(OCc3ccccn3)cc2)c1 95473475 VMRQLZWDPVAFJL-FYJGNVAPSA-N 417.490 5.401 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 98003535 AACVHOJFBPWOJG-RQTOMXEWSA-N 410.663 5.588 30 40 HKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2cccc(C(=O)O)c2)C1=O 100393412 BJTQZZRJNKCONN-UHFFFAOYSA-N 413.514 5.565 30 40 HKEB biogenic,in-vitro CCCCCCCCCCCCN[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)O 100909040 XVMOUBSFECQDTM-FQEVSTJZSA-N 410.986 5.632 30 40 HKEB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)cc1 214499069 MLNRYIVOXUOIGW-CIAFOILYSA-N 400.459 5.363 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2c3ccc4c(c3CC[C@]21C)CCC(=O)/C4=C/O 230045396 WSXDVDYWXDOPKG-URKKOVQTSA-N 408.626 7.255 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cccc([N+](=O)[O-])c4O)cc3)nc2c1 254764287 BYZGKOBNDWWMOC-OAHLLOKOSA-N 415.449 6.373 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)c(Cl)c1 408591183 IWQJAQIFFNKHKE-FOKLQQMPSA-N 401.825 5.346 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408940731 OPZIMJNVZBSMOX-PYYTVRKUSA-N 400.909 6.623 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409210320 KAGIEAIDVOXKLY-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1ccc(Sc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1 409215610 CHGZKNOAGSCVNT-WBCKRXDOSA-N 400.569 5.828 30 40 HKEB CCCCCCCCCCOc1ccc(CO)c(OCCCCCCCCCC)c1 2049305434 COHCIJMUMQEQFG-UHFFFAOYSA-N 420.678 8.218 30 40 HKEB CC(C)(C)c1cc(-c2cccs2)c(C#N)c(SCC(=O)Oc2ccccc2)n1 1073792 FNFYGBTZQALOHP-UHFFFAOYSA-N 408.548 5.677 30 40 HKEB CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@@]21C 1692226 TXUICONDJPYNPY-NNHWUIPKSA-N 414.630 6.647 30 40 HKEB biogenic O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)ccc([N+](=O)[O-])c1F 2380610 DENNNLIKPKKVJU-UHFFFAOYSA-N 414.208 5.163 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 2450492 QBFXIRGXNVDEDH-UHFFFAOYSA-N 420.582 5.468 30 40 HKEB N#Cc1ccsc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2679237 RQBIYIIYXBNZLQ-UHFFFAOYSA-N 408.533 5.022 30 40 HKEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)N(c2ccc(C)cc2)C1=S 4674764 XKJMGMXBWRFALP-WOJGMQOQSA-N 403.334 5.462 30 40 HKEB N#C[C@@H](Cc1ccccc1)Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 6580220 LXQOEIQOZBTOOK-JOCHJYFZSA-N 414.509 5.224 30 40 HKEB CC[C@@H]1CSC(Nc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)=N1 6822471 IUIZRMXBZSIWKV-VGZDNEPHSA-N 405.350 6.183 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1 8845924 FVUMQNFQMXCXJQ-UHFFFAOYSA-N 401.422 5.446 30 40 HKEB C=C(C)COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 12475094 JTBYIAFMZQKHEP-UHFFFAOYSA-N 416.399 5.499 30 40 HKEB biogenic COc1ccc(/C=N/Nc2cc(C)nc3ccc(C4CCCCC4)cc23)c2ccccc12 16942309 XKTXBIDXFXLOND-RDRPBHBLSA-N 423.560 7.199 30 40 HKEB COc1ccc(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 33376716 MRYLNCSGCDJNSY-HYXAFXHYSA-N 404.306 5.638 30 40 HKEB CCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 101005031 XITSFJTWCCDJMY-XMHGGMMESA-N 408.538 6.637 30 40 HKEB N#Cc1ccccc1COc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1 137671668 IQSPAHVOYXEXEY-YEWWOHFJSA-N 417.515 5.012 30 40 HKEB Cc1ccc(NC(=O)Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)cc1 408596277 QWIAXHKVRBEGNC-RWPZCVJISA-N 422.488 5.011 30 40 HKEB CCOc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1OC 408748971 JQYGPGNPBLNUPY-RQZCQDPDSA-N 423.321 5.292 30 40 HKEB Cc1c(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cccc1C(=O)O 408946554 PAHGSGCRHOJADE-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1 408962241 RGSVEQDLJYWUDV-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CC[C@@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 409244107 XSGSLEXRJMFBTG-STCDJXRXSA-N 423.969 6.466 30 40 HKEB CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc4ccccc34)cc2)OC1(C)C 2362803327 ZHJSQFXICRKJQV-UHFFFAOYSA-N 408.310 5.263 30 40 HKEB COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC 846699 NMPDXYBFWKGUIG-UHFFFAOYSA-N 424.456 5.755 30 40 HKEB CC(C)OC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 1825324 JEKWQXUHUQXKGZ-UHFFFAOYSA-N 412.511 5.532 30 40 HKEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C[C@@H]12 4040196 KBWQXZRWBYAKNJ-SMORMKEMSA-N 411.586 5.285 30 40 HKEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)c1 4074995 KTCOPMVUICJOJS-DEOSSOPVSA-N 414.505 5.453 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccc(OCc2ccccc2)cc1 4363643 DBQZNUWCFZLZNF-OVVQPSECSA-N 413.546 6.534 30 40 HKEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O 4910554 KYIVCBSZTHGAHI-NRFANRHFSA-N 417.553 5.014 30 40 HKEB CCOc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1OC 5376548 HQRHFGDCXMWCBM-STZFKDTASA-N 404.491 5.139 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccccc1F 5376938 AXIHXKJXVDFOJX-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1Cl 6524096 YNVCJSGLQPABDN-IUFNRMJLSA-N 406.957 6.377 30 40 HKEB CC(C)c1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 6616935 YOECDDSOMRIUPA-FZSIALSZSA-N 415.445 5.834 30 40 HKEB COc1cc(/C=C/C(=O)O[C@H](Cc2ccccc2)c2ccccc2)ccc1OCC#N 48326255 XMYUGDGNVODJGU-DQRYEYLNSA-N 413.473 5.138 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 58826825 SYRLMZVQNCWEGL-YSMPRRRNSA-N 408.954 5.961 30 40 HKEB Cc1cc(C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1cccnc1 59369229 ZWBUBTICCQQSCD-INIZCTEOSA-N 418.806 5.046 30 40 HKEB CCCCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97953952 QFOQVJMPWIYDKF-HXUWFJFHSA-N 419.569 5.926 30 40 HKEB COc1ccccc1/C=C/C(=O)C(C(=O)c1ccccc1)=C1SCCCCS1 101510524 CMSBCZABXBCESI-BUHFOSPRSA-N 410.560 5.632 30 40 HKEB CCCCCCCCCCCCCCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 104140702 BTLOZVJCHCNZHK-UHFFFAOYSA-N 415.578 7.169 30 40 HKEB O=C(CO/N=C\c1c(OCc2ccccc2)ccc2ccccc12)Nc1ccccc1 108148257 ALEZUPDXUMXKSV-PKAZHMFMSA-N 410.473 5.408 30 40 HKEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 166093781 GQLHUEREPKVEAJ-ZXVVBBHZSA-N 416.521 5.252 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 253565860 IGNQGUSSZLCMBY-JXEHOTDFSA-N 414.552 7.725 30 40 HKEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260569782 SGLWJVROOQOUTF-BVOSQVHNSA-N 405.567 5.642 30 40 HKEB CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408851051 VDZXXWAIAABFGI-NXYZXBHKSA-N 418.493 5.755 30 40 HKEB CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cc(C)ccc1C 408907678 ORBKRJZLVXSQHO-BPRJVQAXSA-N 405.350 6.234 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409208008 DSSIEEGHBRFYLH-VULFUBBASA-N 414.332 7.030 30 40 HKEB CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1O 409210214 FNENUGVKWMORIC-KWRYHKOTSA-N 416.974 6.279 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C 409210519 JHMMDNYKIARWGU-KEBDBYFISA-N 411.137 5.978 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccc(F)cc1 409230472 DSCMNQWZNAPYST-YMERHICUSA-N 410.445 5.849 30 40 HKEB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC#N 409332030 PBTTXWSBUYCDJM-MOSHPQCFSA-N 424.547 5.010 30 40 HKEB C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409332884 SBRBOPWFJXIIOO-UHFFFAOYSA-N 416.333 6.476 30 40 HKEB N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 609460620 XMLBEQJTXANZHH-ZQIUZPCESA-N 413.226 5.497 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Cl)cc1Cl)Nc1ccc3ccccc3c12 2059233 OKGAMBZFPNJGBE-XMMPIXPASA-N 422.355 7.456 30 40 HKEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 3355854 DLKARJDZPZXZLK-UHFFFAOYSA-N 404.278 5.006 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 4623695 JWUBBDSIWDLEOM-LBFATEQNSA-N 400.647 6.734 30 40 HKEB CCOc1ccccc1NC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccccc1 5641967 KCPQJMVCEMXXJP-JOCHJYFZSA-N 417.534 5.441 30 40 HKEB Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 5961208 KFXJENMTIQQMOK-MZJWZYIUSA-N 412.876 7.066 30 40 HKEB Cc1ccc([C@@H]2C3=C(Nc4nn(-c5ccccc5)c(O)c42)c2ccccc2C3=O)cc1 6199474 GRYVEWOFOKLJNC-HXUWFJFHSA-N 405.457 5.051 30 40 HKEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1cccc(Oc2ccccc2)c1 12601905 FLTZVRDYCNRTJS-KEUFMJMZSA-N 403.482 5.561 30 40 HKEB Cc1c(C#N)c(NC(=O)CSc2ccc(F)c(Cl)c2)n(Cc2ccco2)c1C 13148538 SGCINWZZCLAUAB-UHFFFAOYSA-N 417.893 5.141 30 40 HKEB Clc1cccc(Cl)c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19682334 HKDDOHWQQLCMJP-JVWAILMASA-N 422.359 5.715 30 40 HKEB C=C1/C(=C/C=C2\CCC[C@]3(C)[C@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@H]1O 71789635 GMRQFYUYWCNGIN-WGCSYODSSA-N 416.646 5.705 30 40 HKEB in-vitro CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N1CC 223605065 SIJFNEBOYFABKV-STAAWOJUSA-N 413.631 5.808 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 257345235 PYLBSMLISGOFKG-CTBUWAHNSA-N 418.577 6.144 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)/C(=C/c4ccccc4)C[C@H]32)C1 257345236 PYLBSMLISGOFKG-LIQIQSROSA-N 418.577 6.144 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/Nc3nc4ccccc4s3)cc2)c1 409006009 GYNCPHIEGFDBTN-ZVHZXABRSA-N 416.506 5.068 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)Nc2ccccc2)C1 409083893 LTADGOBYMDVTHW-MKCIMWKDSA-N 406.551 6.495 30 40 HKEB COc1cccc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)c1 643568868 LPGSHFMKHFDEGF-UHFFFAOYSA-N 417.509 5.503 30 40 HKEB Cc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)c(C)c1 1735759 SAWPFKWQGUGWBX-UHFFFAOYSA-N 415.440 5.812 30 40 HKEB C=C(C)Cn1c(SCCCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2271202 ULMOBIZDOHWLPS-UHFFFAOYSA-N 406.617 5.558 30 40 HKEB CCCCCC1CCC(C2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)CC1 4673293 QFSCRKVKVRQKGF-UHFFFAOYSA-N 420.659 6.893 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C)c2)C2=C(CC(C)(C)CC2=O)N1 4993304 JTOGCFLZVCLCQK-DEOSSOPVSA-N 414.549 5.546 30 40 HKEB COc1ccc(/C(=N\OCc2ccccc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5526822 JVSYDQRQIKCCBM-RCBBEWTMSA-N 401.462 5.149 30 40 HKEB COc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)c2C#N)cc1 6713478 VYFDBLDZXYFYGT-UHFFFAOYSA-N 404.267 5.117 30 40 HKEB O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cc(Br)ccc(=O)c1O 8398059 DJYNNRXECCFUOY-PKNBQFBNSA-N 423.262 5.203 30 40 HKEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1c(Cl)cc(Cl)cc1Cl 13303031 QYEAQIYXWWPVCZ-LSFURLLWSA-N 414.123 6.240 30 40 HKEB C=C(C)C[C@@H]1CC=C[C@@H](CC(=C)C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 16134186 DGSKIQFMHNWEFR-SOUVJXGZSA-N 403.382 5.112 30 40 HKEB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc([N+](=O)[O-])cc2)=C(O)C1 18211941 YTYBJISIADDCNK-UHFFFAOYSA-N 413.470 5.081 30 40 HKEB CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19973648 ZJGHDUZFUSKQCQ-UHFFFAOYSA-N 420.336 5.483 30 40 HKEB CCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 68589226 ITSZCDLNGBMMHT-UHFFFAOYSA-N 415.581 7.008 30 40 HKEB biogenic CCCCCCCCCCCCC#CC#CCCCCCCCCC[n+]1ccccc1 100026546 JUIKSAHUYLUGHQ-UHFFFAOYSA-N 422.721 8.413 30 40 HKEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224652338 SUYCSDCLILSZBG-UHFFFAOYSA-N 419.852 5.057 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1OC 253566482 IZWMNBKOEIGIHV-TYEAGAAJSA-N 424.544 6.671 30 40 HKEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@@H](C)CC 408592739 NRBFKBSMAMKNJX-OFJBCHTGSA-N 406.866 5.375 30 40 HKEB CCCCCc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 409352477 ZDWNFIHBNYFWPO-CCEZHUSRSA-N 419.306 5.832 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)cc1 1531304640 NFRAFMVZLDPHOJ-WSDLNYQXSA-N 418.722 5.037 30 40 HKEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 939697 FHILOPXYORHJAO-UHFFFAOYSA-N 416.456 5.046 30 40 HKEB N#Cc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 9197024 GAHDPDHQZCEPQU-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)c(OC)c1 9907616 LOAMFPXOPYZGFD-DHRITJCHSA-N 424.497 5.396 30 40 HKEB CCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1 11992771 VDIWYJRWTKLDAP-BUVRLJJBSA-N 413.974 6.869 30 40 HKEB C[C@H](Nc1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N)c1ccccc1 33324455 JYOKPDQSDCGAEX-HNNXBMFYSA-N 419.868 6.212 30 40 HKEB CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1 100101017 BKYDPWGMCBVRME-XIEYBQDHSA-N 413.587 5.043 30 40 HKEB CCCCCCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 102537660 HLYOVUWSCPZLHP-UHFFFAOYSA-N 420.553 5.937 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)CCCCCC(F)(F)C(F)(F)C(F)(F)F 169795117 RZFGWQTYHFJQSV-UHFFFAOYSA-N 408.173 6.603 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253528865 VIELWYIXEODCTJ-OKYCHAGGSA-N 405.626 6.748 30 40 HKEB COc1ccc(Oc2ccc(N/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 409095270 BRIOHLJKHYULFW-OUKQBFOZSA-N 414.288 6.603 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCC 409211568 OIUNQGNRIPKWTF-FYJGNVAPSA-N 423.294 5.402 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)S/C1=N/c1ccc(F)cc1 409249614 UWQDKXDZBWIJJZ-UMUYUUQJSA-N 419.525 5.857 30 40 HKEB CC[C@H](C)c1ccc(OCCn2cccc2/C=N/Nc2nc3ccccc3s2)cc1 1255775 QGROXQTVNRVRMD-WLXKGNRNSA-N 418.566 6.136 30 40 HKEB N#CCSc1nc2c(c(-c3ccc(OCc4ccccc4)cc3)c1C#N)CCCC2 4058785 RRCAYOALZQQKAA-UHFFFAOYSA-N 411.530 5.694 30 40 HKEB CC(=O)[C@H](C)Sc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 4450382 ZYBBCAPBHXHMLZ-PGBBXINNSA-N 408.489 5.509 30 40 HKEB C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2cccc3ccccc23)C1=O 4935241 LLWGNAGAPXUASA-JKLGJUPNSA-N 407.926 5.347 30 40 HKEB COc1ccc(-c2nc3c4ccccc4ccn3c2C(=O)/C=C/c2cccs2)cc1 5027702 IDPHSLSUQOVNFW-OUKQBFOZSA-N 410.498 6.121 30 40 HKEB CC/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 5445418 LSYUKBKYXLFCJC-YDZHTSKRSA-N 403.307 5.441 30 40 HKEB C/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1N=C1CCC(c2ccccc2)CC1 6303194 DBWFONYKKQJNNM-PDFNOZGGSA-N 406.511 5.217 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)O 6445010 BBYARLSPDSRJMJ-UHFFFAOYSA-N 415.301 5.771 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(F)cc3Cl)ccc21 9420909 SRNVVZAMBLTHFC-UYOCIXKTSA-N 424.811 5.403 30 40 HKEB N#CCCN(CCC#N)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 31351860 MUERWWKQVXXPML-WCWDXBQESA-N 417.256 5.951 30 40 HKEB C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C)[nH]2)c1 95408501 DUCNIANLLMVVRU-NRFANRHFSA-N 402.498 5.319 30 40 HKEB CCCCCCCCCCOc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1 97958647 IESDQMKXYVWTCV-OCOZRVBESA-N 417.575 6.269 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100398800 SRVQFMHBAWCQTE-SHSCQTOKSA-N 418.949 6.013 30 40 HKEB Cc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/c2cccc(Cl)c2)cc1 100676713 FEMIVWJOJWTMDM-AFUMVMLFSA-N 402.885 5.459 30 40 HKEB C=CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Br)cc12 226360424 YADVGJMPJCFOHS-UHFFFAOYSA-N 418.290 6.160 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1CC 408560919 RLAIMJRMCHJNJI-UHFFFAOYSA-N 410.587 5.695 30 40 HKEB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408691805 QWVFLNSLLWZWGY-OVCLIPMQSA-N 407.307 6.233 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)ccc1OC 408905934 GJYVHLBEHRGQMQ-NFEGURHZSA-N 410.539 5.335 30 40 HKEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc2ccccc2c1 408943870 ZHEUTXRVERWCGP-MBTHVWNTSA-N 407.439 6.712 30 40 HKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(Br)c(Cl)c2)o1 408960774 IUWWEBONYSKOQR-LSHDLFTRSA-N 418.674 6.120 30 40 HKEB O=C1CSC(=S)N1/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409200618 IXUVDPFALDUVAX-WYMPLXKRSA-N 415.543 5.037 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409220245 ZXDMVKMTCZUAKS-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cccc3[nH]ccc23)n1 585293736 LKSNQSBWKWJBAU-XMMPIXPASA-N 423.524 5.004 30 40 HKEB Cc1ccc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)cn1 643570599 KUSARNXKNFFENV-UHFFFAOYSA-N 402.498 5.198 30 40 HKEB FC(F)(F)CNc1ccc(OCCCC(F)(F)C(F)(F)Br)cc1 1083811753 LVRWBNZGCVEHDB-UHFFFAOYSA-N 412.143 5.443 30 40 HKEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 3113165 DSLKJZVUZOPRDE-FOKLQQMPSA-N 412.232 6.460 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl 3364522 QZTUDPJCWHPYPO-UHFFFAOYSA-N 410.757 6.384 30 40 HKEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 4498654 YJFYAMFPNGQGJZ-QVGKIPNLSA-N 405.885 5.339 30 40 HKEB CCCc1oc(C#N)cc1CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 4624033 QQTDNXRDFOCFPO-UHFFFAOYSA-N 418.497 5.783 30 40 HKEB Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc4ncccc4c3)c(-c3ccccc3)c2c1 4854604 DITHECYIQNDLGY-NTCAYCPXSA-N 414.508 6.963 30 40 HKEB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 5242825 WVYAGNWWBBIJMS-MRXNPFEDSA-N 410.502 5.288 30 40 HKEB COc1ccc2c(c1)c(/C=N/Nc1nc3ccccc3[nH]1)c(C)n2Cc1ccccc1 5457010 ZPCWUFQCPZXZEB-CVKSISIWSA-N 409.493 5.329 30 40 HKEB CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC 8426340 FXVFVCXJPRJMHR-UHFFFAOYSA-N 422.639 5.236 30 40 HKEB Clc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 8811773 LPSARPQQXZUCCK-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccccc3)c2C#N)C1 17093695 FRLOSEXPLASZLI-YHVDPYDOSA-N 423.607 5.297 30 40 HKEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 33011138 UNWLSBFDEOMQEW-UHFFFAOYSA-N 416.531 5.269 30 40 HKEB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)c1C 96569892 YBVXROOOLSXZHU-AYDOMQLQSA-N 408.586 5.098 30 40 HKEB biogenic Nc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 100115452 OQIGJIYYJLAXJO-UHFFFAOYSA-N 411.161 5.464 30 40 HKEB CCCCCCCCCCCC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 100933945 GELRVBKCTXWNAU-UHFFFAOYSA-N 402.582 7.643 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935248 YBGNTBYIXGTDRY-JXDUNPRVSA-N 401.679 7.938 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)c1 408758230 HRSPTWOIMLVEIA-FSJBWODESA-N 401.735 6.569 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 408936982 LUINYGCTXACLFD-DIGADCNSSA-N 408.501 6.050 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)S2)cc1 408950136 DPPMKLKIOPVBHH-PXLXIMEGSA-N 417.534 5.384 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408959929 ARQGHZLODCLCOL-OOIIIRTPSA-N 421.349 6.062 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(C(F)(F)F)cc1 408963592 CMTASNIORNYOSK-MDWZMJQESA-N 417.239 5.904 30 40 HKEB CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC 409082945 KEBKFWAOTCJHFR-AEIQVQRHSA-N 410.583 6.319 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)Nc1ccccc1N2 1076949 UZEZRWTXYALUAT-MYUZEXMDSA-N 422.553 6.881 30 40 HKEB Cc1c(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cccc1[N+](=O)[O-] 4893674 NPKXUUHXJDPSJO-UHFFFAOYSA-N 409.482 5.303 30 40 HKEB CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1 5478583 IOUYZXVWOKZJFH-UHFFFAOYSA-N 412.518 5.497 30 40 HKEB COc1ccc(C(=O)O/N=C(\c2ccc(F)cc2)[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1 5617851 XJMKIAPMRVSEDQ-AGIZDPOVSA-N 403.453 5.508 30 40 HKEB O=C1C(=O)N(c2ccccc2)C(c2ccccc2)=C1C(c1ccccc1)c1ccccc1 5946660 IOBVZTMNOKMCHB-UHFFFAOYSA-N 415.492 5.846 30 40 HKEB CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 6337279 DKIPHCKBLVVQST-WUXMJOGZSA-N 406.309 5.137 30 40 HKEB COc1ccc(/N=c2\scc(-c3ccccc3)n2/N=C/c2ccc(C)s2)cc1 6866948 CASSAZLQHBPNSR-BISWJPHYSA-N 405.548 5.710 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC)c(OC)c3)c12 8229816 RLQKIQPIDAWISI-ACCUITESSA-N 415.493 5.087 30 40 HKEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc12 8446241 QMTGLDLUIRIUFS-UHFFFAOYSA-N 423.541 6.121 30 40 HKEB C/C(=N\Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2ccccc12 12311691 KOPONWKSQOFWCX-FOKLQQMPSA-N 418.331 5.511 30 40 HKEB O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)c1cc3c(cc1N2)OCO3 18196890 JOTFTQDBERAHQO-RUZDIDTESA-N 411.457 5.772 30 40 HKEB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2/N=C/c1cc([N+](=O)[O-])ccc1O 20611297 JCAPIYBZNRMVCD-PJIUMJJMSA-N 424.585 6.521 30 40 HKEB biogenic Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)c(C)c1 32984274 UUMDFFDIZKESCL-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB CCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 50704987 DOPPMVWKBSZVQH-UHFFFAOYSA-N 406.614 7.663 30 40 HKEB CCN(C[C@H](C)C#N)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 58161853 CYTFXABWHSPVCF-MRXNPFEDSA-N 411.962 5.163 30 40 HKEB CCCCCCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O 100922124 MKSOYTLDCKKZOE-UHFFFAOYSA-N 417.615 6.722 30 40 HKEB C=CCC(C(=O)Nc1ccc(OC2CSC2)cc1)(c1ccccc1)c1ccccc1 225935939 HKRMJPFNYLZNFV-UHFFFAOYSA-N 415.558 5.682 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1Cl 408590214 OCQKSKOVUMLBKQ-FOKLQQMPSA-N 415.349 6.457 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccccc1 408908907 TUUWWUNMYYKVMD-JRLDGGGSSA-N 402.903 5.068 30 40 HKEB COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)S/C1=N\c1ccccc1 408935846 OGXSZBLWWDYFGI-BLOQEJBCSA-N 410.539 5.114 30 40 HKEB CC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 409108385 XEEQCZTVGLVEPX-BHGWPJFGSA-N 417.343 5.522 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 409188168 XAKOZLGRSFMIOE-VEILYXNESA-N 411.549 6.651 30 40 HKEB CC[C@@H](C)Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409302838 GULSXKBAMOUZFA-GOSISDBHSA-N 403.526 5.504 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1 409348349 SOVFZTXIZHGORN-WOJGMQOQSA-N 417.939 5.319 30 40 HKEB COc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409369863 GOHWZGFNKGHZRC-DHRITJCHSA-N 412.848 5.256 30 40 HKEB O=C(O/N=C/c1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccc(Cl)cc1 1402740 MUNMRGJJSBRVKF-WYMPLXKRSA-N 410.260 5.499 30 40 HKEB Cc1ncc(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)o1 1428912 ISMOGLVMYBYGIU-UHFFFAOYSA-N 411.486 5.925 30 40 HKEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(Br)cc2)cc1 1881391 FIKZBTUFDQQTEF-ZVHZXABRSA-N 404.263 5.973 30 40 HKEB CC1CC(=O)C(=CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)C1 2543451 JMEBGKBLLHYYLK-UHFFFAOYSA-N 424.806 5.410 30 40 HKEB O=[N+]([O-])c1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)nc2ccccc12 4828613 BISYORYDYANBMY-YDZHTSKRSA-N 403.829 5.304 30 40 HKEB C=CCn1c(SCc2c(C(=O)OCC)oc3ccccc23)nnc1-c1ccoc1C 13057774 IAUCVPKBAVNOFF-UHFFFAOYSA-N 423.494 5.248 30 40 HKEB CCCCOc1ccc(-c2c(C#N)c(S)nc(C)c2C(=O)Nc2ccccc2)cc1 13685366 NRIWBQWXWMBSOW-UHFFFAOYSA-N 417.534 5.649 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)SC1=S 13714864 FHOVYLWAXFNHQO-STZFKDTASA-N 404.560 5.635 30 40 HKEB COc1cc2c(c(OC)c1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 18196392 YVBWQEAYSRGUGZ-GOSISDBHSA-N 404.293 5.575 30 40 HKEB CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO 100503526 SMUXPRLRWPVDDT-QHCPKHFHSA-N 400.644 6.315 30 40 HKEB Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 101472916 UHVFNMCTNHHFSD-RSKRUZOQSA-N 422.142 7.801 30 40 HKEB N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106700923 KMPSHXSCDPFOFZ-MFOYZWKCSA-N 419.289 5.132 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 198153677 GIIHHUZHIKFNFM-FSJBWODESA-N 403.751 6.485 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408542013 JANCEYDSNRFJFE-CGKHLXHRSA-N 424.544 6.740 30 40 HKEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)cc1 408743393 SOWCIBJYQRVAMO-WYMPLXKRSA-N 401.293 5.938 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2CC(C)C)cc1 408916635 YQWWHEHSCISDTF-QMSJJHEMSA-N 408.567 6.042 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 408945046 VSQCNJFYHFWKGF-KHAAFOKYSA-N 414.936 6.931 30 40 HKEB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409210405 JNGIMQOTIGHHJO-LPYMAVHISA-N 411.255 5.687 30 40 HKEB CC[C@@H](C)n1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385525 VFBMLJVSEHWXDY-WKTMJKCCSA-N 420.516 5.871 30 40 HKEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C#N 871954 DHBKTXFVNRHOAZ-UHFFFAOYSA-N 422.337 5.113 30 40 HKEB CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 1923999 VVOFNKQOIXMKEK-ODCIPOBUSA-N 417.130 6.215 30 40 HKEB CC(C)(C)c1ccc(Cn2c(/N=C/c3ccccc3Cl)nc3ccccc32)cc1 2060104 PJGMCVIJEUZZJF-JVWAILMASA-N 401.941 6.786 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 2358228 VKDQYIVUOGMKMT-LSIOVLHASA-N 421.591 5.926 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 3135117 CCPZGAZFKDCECH-UHFFFAOYSA-N 416.977 7.349 30 40 HKEB CN(/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 4357937 RFJDHDPATDGBEF-WPWMEQJKSA-N 414.892 6.183 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 5376596 DWCIXVOCOPEFOL-XDHOZWIPSA-N 405.435 5.055 30 40 HKEB COCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 5660833 SCCWLIOQQCIQEO-AVJLYGTLSA-N 407.322 5.244 30 40 HKEB Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 10119001 MYZYMZZPNAWKLA-LGJNPRDNSA-N 419.739 6.350 30 40 HKEB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 13570339 PVZDNEXKHNCHNC-VFNWGFHPSA-N 406.869 5.300 30 40 HKEB O=C1C2=C(N=C3C[C@@H](c4ccccc4)CC(O)=C3[C@@H]2c2ccccc2)c2ccccc21 18117679 BEGJEBNQQIAQSS-DVECYGJZSA-N 403.481 6.222 30 40 HKEB Cc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 21722478 QLHMCVXZXNYADJ-VWLOTQADSA-N 400.547 6.237 30 40 HKEB CCCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCCC 33354466 BMDRZANGYOQWPL-UHFFFAOYSA-N 400.604 5.940 30 40 HKEB C=CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C(/C)CCC(C)C 33615287 URDZJEXXSFCOSB-NLBSPUPISA-N 403.595 6.631 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3)c(C)c2s1 72228824 HCTVDDQPHPKTOH-UHFFFAOYSA-N 416.934 5.392 30 40 HKEB COc1ccc(-n2c(C)ns/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1 100504657 WMEGIPBQFLUAQC-MRAZZECGSA-N 414.534 5.238 30 40 HKEB C=CCn1c(=O)c(C(=O)NCCCCCCCCCCCC)c(O)c2ccccc21 100668147 PDZRJXIJEGMGGJ-UHFFFAOYSA-N 412.574 5.544 30 40 HKEB Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c1C 135978447 QSJPNKFTBWQZKS-KBYDQAQISA-N 407.564 5.585 30 40 HKEB Oc1ccc(/N=N/c2cccc3ccccc23)cc1/C=N/Nc1nc2ccccc2s1 408727254 PMDSVQXVASUUMR-KXQKENBESA-N 423.501 7.017 30 40 HKEB Cc1cccc(COc2ccc(/C=N/n3c(S)nnc3-c3ccccc3)cc2)c1 409074573 VMTUPKMARVWLGP-BUVRLJJBSA-N 400.507 5.003 30 40 HKEB C=CCOc1c(I)cc(CNc2ccccc2CC)cc1OC 409114677 PSOYXPNBRSPEMF-UHFFFAOYSA-N 423.294 5.039 30 40 HKEB Cc1ccc(COc2ccc(Br)cc2/C=N/c2cccc(C)c2C)cc1 409213428 UZQRNLDMQBXBDT-AFUMVMLFSA-N 408.339 6.704 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(OCC)c1OC 409218310 TXMHFHATYLMJJU-LTGZKZEYSA-N 423.534 5.101 30 40 HKEB O=C(c1cccc(Br)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242846 LOMSMIKIOMXFNF-UHFFFAOYSA-N 403.038 5.100 30 40 HKEB N#Cc1ccc(CSc2nnc(SCc3cccc4ccccc34)s2)cc1 2635028 BBUNMNWYJQUCCQ-UHFFFAOYSA-N 405.573 6.148 30 40 HKEB C=CCN1C=C(c2ccc3ccccc3n2)[C@H](c2c[nH]c3ccccc23)c2ccccc21 4046852 SPYYPFCUAFMNAH-LJAQVGFWSA-N 413.524 6.895 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 4807944 AMKADJITAAIDTC-LSHDLFTRSA-N 417.372 5.830 30 40 HKEB O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@@]2(O)[C@@H]1c1ccccc1 5052012 LHPXMMJJEPOBSZ-GGXMVOPNSA-N 400.477 5.832 30 40 HKEB C=CCSc1nc(/C=C/c2ccc(C)cc2)cc(/C=C\c2ccc(C)cc2)c1C#N 5394312 IFMMVWQOIWFLGJ-VCFJNTAESA-N 408.570 7.189 30 40 HKEB Cc1ccc(/N=C/c2ccc(Sc3nnc(-c4ccccc4)[nH]3)c([N+](=O)[O-])c2)cc1 6840457 QYWRHMULIMRRQI-OEAKJJBVSA-N 415.478 5.590 30 40 HKEB CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 16741708 WMUZCLWYCGAEBO-NRFANRHFSA-N 407.510 5.029 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@@H]32)cc1 18105830 CYVRRLJXBWTENM-QYBDOPJKSA-N 406.485 5.523 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1cn2ccccc2n1 20120560 VQQWQYHMCWIXOQ-UHFFFAOYSA-N 418.525 6.227 30 40 HKEB O=C(/C=C\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 33376633 KVQXSYNQTRCZHV-WAYWQWQTSA-N 413.540 6.837 30 40 HKEB C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 39953729 HKXBNHCUPKIYDM-GEDKAAPRSA-N 412.658 6.612 30 40 HKEB in-vitro Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1C 59223892 DCOVGTROWYCWSH-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB FC(F)(F)C(F)(CCOCCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F 79673196 YZLOEYBBYBQNBR-UHFFFAOYSA-N 410.145 5.449 30 40 HKEB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OC(F)F)C1=C(CCCC1=O)N2 102144048 HCOXYQWOPIAZMH-NRFANRHFSA-N 421.447 5.347 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl 102802299 OGRWTZFYXGVYJS-MRJHHRETSA-N 411.929 5.650 30 40 HKEB CCCCCCCCCOC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 102817991 UHAIIKZTQWFVJB-UHFFFAOYSA-N 424.589 6.264 30 40 HKEB CC(=O)[C@H]1[C@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118920567 KKCSMFAZRNSRNN-XBIOYQSGSA-N 400.632 5.276 30 40 HKEB C=C(C)COc1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 219780034 ABAUINUWBQSWAO-UHFFFAOYSA-N 410.366 5.612 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 409133565 MXSQHSMANJSMHS-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB O=C(COc1ccc(/C=N/c2ccc(F)cc2F)cc1Cl)Nc1ccccc1F 409378230 NVHXGZLRTDAKBC-KBKYJPHKSA-N 418.802 5.525 30 40 HKEB O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1F 1076704 AEDFYJGBWKBISO-GFCCVEGCSA-N 420.303 5.177 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1 1434804 VAHFXAKKGRJRCZ-QLXKLKPCSA-N 416.471 6.253 30 40 HKEB CCCCCCCCOc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)cc1 3327086 XUYLQLBXNVYODB-MFKUBSTISA-N 411.571 5.696 30 40 HKEB Cc1ccc(CSC2=N[C@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)cc1 4085566 YBQSAQGKZWNXJH-HSZRJFAPSA-N 414.505 5.675 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 4690759 JRMLWBQWTKPJIF-WJCPARMISA-N 401.875 5.262 30 40 HKEB CCCOc1ccc(/C=N/Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)c(O)c1 4713123 HVKRLSQBTCOUKW-DHRITJCHSA-N 416.403 5.103 30 40 HKEB COc1cccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 4944852 FYLPOIIXBWOVLJ-LJQANCHMSA-N 419.521 5.176 30 40 HKEB N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl 6839824 QODTXMLAMCNUOZ-UHFFFAOYSA-N 403.894 5.203 30 40 HKEB C=CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S 12745005 ZFNYYBXUULAGSZ-NRFANRHFSA-N 406.555 5.070 30 40 HKEB C=C[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 13408694 KOBCGCROWPFVMN-DAVSBLIESA-N 402.575 5.260 30 40 HKEB biogenic CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1cc(F)cc(F)c1 16972067 DIWNSEKJRXMSCD-PSLXWICFSA-N 410.464 5.374 30 40 HKEB CCc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59249308 QBYGYCPYTUTGEX-WSDLNYQXSA-N 420.759 7.160 30 40 HKEB Cc1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 59500719 MLUCMRPTNJWSLY-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB COc1ccccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 103748336 ACKPSYFRUUSMET-LPYMAVHISA-N 423.381 5.063 30 40 HKEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(F)(F)F)cc32)cc1 223744816 VYRVTAWXBMJQIY-XHPQRKPJSA-N 419.472 5.107 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(Br)c2)C(=O)N1CC 408909237 GRZQXAZAMKUVDR-PVTBXJRFSA-N 415.356 5.635 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910557 IOVSWSSGVCSXIR-VOQLGAFASA-N 408.567 6.185 30 40 HKEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Cl)cc1 408962477 YMNINQWIUXVWBL-OIBHPTRJSA-N 411.958 5.564 30 40 HKEB CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(NCCc2c[nH]c3ccccc23)C1 720087 BANSENSAGYJFBS-UHFFFAOYSA-N 417.578 5.383 30 40 HKEB C=C(C)COc1ccc2c(=O)c(Oc3ccccc3Br)c(C)oc2c1 2134380 KSQNCESVEGNJHE-UHFFFAOYSA-N 401.256 5.611 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 2588764 YVLFKRUHUFYFDW-GZTJUZNOSA-N 404.413 5.162 30 40 HKEB CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1 4186073 VBPCTBWRUOBESF-DEOSSOPVSA-N 412.533 6.224 30 40 HKEB CCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 4543846 LKUUYSXRSDLPGQ-MHZLTWQESA-N 411.545 6.938 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(O)c1)c1ccc3ncccc3c1N2 4597582 HLTSFAKZSVQSFW-SIBVEZHUSA-N 418.496 5.899 30 40 HKEB CCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 5156679 VTSAFDJFANBMJF-OAQYLSRUSA-N 413.521 5.341 30 40 HKEB Cc1oc2ccc(O)cc2c1C(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 5546269 OJTJBUHRDXWTNH-SOFGYWHQSA-N 413.256 6.910 30 40 HKEB C=CCc1cccc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(=O)oc12 5613159 PWSKBVGPXPRNEK-UHFFFAOYSA-N 411.457 5.353 30 40 HKEB Clc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1Cl 8811813 AWWDGPYXAUGYFI-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Sc2ccccc21 9234427 WPZUSUPVESNIOU-QPEQYQDCSA-N 412.102 5.247 30 40 HKEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1c(F)cccc1Cl 12603102 NBZZRIRGCOOQAN-VBXHEDAZSA-N 424.726 5.184 30 40 HKEB CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 13831340 TXUICONDJPYNPY-IJRWOKMISA-N 414.630 6.647 30 40 HKEB COc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 14163731 HOVXOXFKGDFUPX-LFPIHBKWSA-N 417.484 5.274 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COCc1ccccc1 72400267 KTMANQJLYZAYIP-VWLOTQADSA-N 420.634 6.589 30 40 HKEB in-vitro CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C(C)=O)c1 101613958 SMDMJFGHSDUFKE-BEIQUOEZSA-N 423.563 5.273 30 40 HKEB CCCCCCCCCCCCCCCCCCn1cnc2c(S)ncnc21 104196738 OCHJQYOULIKOHC-UHFFFAOYSA-N 404.668 7.377 30 40 HKEB O=[N+]([O-])c1ccc(NN=C(N=Nc2nc3ccccc3s2)c2ccccc2)cc1 256008592 WEVAQIIWOIRBRA-UHFFFAOYSA-N 402.439 5.762 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(OCc2ccccc2)c1 408748238 AOVVBLGSRXSWQJ-FYJGNVAPSA-N 420.921 5.811 30 40 HKEB CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 408912424 QHIARCQDSIJOMP-LISDSOCTSA-N 406.482 6.098 30 40 HKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 408916182 VRQFSSSGVFWMIX-LVCNHQDNSA-N 414.530 6.284 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1ccc(C)cc1 408978429 ZUOWAPNTJMNZTF-VFCFBJKWSA-N 411.574 7.238 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)o1 409338216 FXMDDVCRVPTTKD-ODLFYWEKSA-N 422.918 5.877 30 40 HKEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3cc(C(=O)O)ccc3C)c2)cc1C 409386108 LCKFMTVPDSCOGQ-WGARJPEWSA-N 416.477 5.078 30 40 HKEB O=C(c1cc2ccccc2c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242990 NMHCXSROEPPQNQ-UHFFFAOYSA-N 424.262 6.644 30 40 HKEB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1sc(C)c(C)c1C#N 671813 CFGWOQGYFVUTBP-UHFFFAOYSA-N 406.294 5.759 30 40 HKEB Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c(O)c1 1509414 TYZUSTDNOMAGIK-SSDVNMTOSA-N 409.239 5.419 30 40 HKEB CC[C@@]1(C)/C(=N/c2c(C)cccc2C)N=C(SC)N1c1ccc(Cl)c(Cl)c1 3075062 FYEOLKZTRKPFRM-GHIWRQRASA-N 420.409 7.048 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C 3113637 WAXMEEDDEPKJEX-WYMPLXKRSA-N 405.841 6.424 30 40 HKEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(C)C(C)=O 4064541 UVYSICYLWPARNT-INWJIATQSA-N 415.574 5.142 30 40 HKEB biogenic CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(C)cc(Br)c2O)c1 6263819 HKMQGCOVYXWMND-UFFVCSGVSA-N 409.711 5.606 30 40 HKEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 6439583 ZBEVEDWMAJUKPI-FSJBWODESA-N 406.338 6.352 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 7166089 DLGNAUROHGLVEH-AUEPDCJTSA-N 406.364 5.119 30 40 HKEB C=CCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 8451034 RNCIMWKGJNCGCN-UHFFFAOYSA-N 423.588 6.137 30 40 HKEB O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(Cl)s1 9403876 XXHQQBJZACLQPR-UHFFFAOYSA-O 423.970 5.893 30 40 HKEB COc1cc(/C=N/Nc2nccs2)ccc1OCc1ccc(Cl)cc1Cl 11866678 MRDJKJQOAFGZLQ-LSHDLFTRSA-N 408.310 5.484 30 40 HKEB C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14760149 RLJJIYPLHFCLRD-MRXNPFEDSA-N 422.477 5.374 30 40 HKEB biogenic,in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl 33957389 XQQADLVGNFCRTE-UUQDEERNSA-N 424.947 6.516 30 40 HKEB Cc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 59500716 XUPKMHCXXMLNNX-AFUMVMLFSA-N 405.906 6.833 30 40 HKEB CC/C(C)=N\Nc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 72229805 CZIARDVQMUATEO-RMORIDSASA-N 407.326 6.053 30 40 HKEB Cc1cccc(/N=C\c2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1 104290491 XGMLUCBCMHSQQQ-ITYLOYPMSA-N 417.534 5.163 30 40 HKEB CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1c1ccccc1 104326541 XVFOGNNDUHBDIT-QXMHVHEDSA-N 410.690 8.721 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Br)c3)cc2)cc1 408810783 KLYVCYDWGRKIJR-OYKKKHCWSA-N 423.310 5.526 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccc(F)c(Cl)c3)cc2Br)cc1 408913531 LPGRJMBBFBBMSO-LSHDLFTRSA-N 424.722 7.045 30 40 HKEB COc1ccc(CN2C(=O)/C(=C/c3ccc(O)cc3)S/C2=N/c2ccccc2)cc1 408916704 GHUAFURNFZUPLY-HLTANSAUSA-N 416.502 5.205 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3cccn3-c3cccc(C(=O)O)c3)cc2)c1 409105303 MLQUUNLLLGNISP-YZSQISJMSA-N 412.445 5.727 30 40 HKEB Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 409201372 MGXQNFKJBNBPQW-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 409202150 PJPYHARVLYBZSS-VULFUBBASA-N 423.896 6.075 30 40 HKEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2Cl)C[C@@H]1c1ccc(F)c(Cl)c1 1554503148 JSOSTCQKJHAXAU-QRWLVFNGSA-N 407.268 5.452 30 40 HKEB C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@H](O)C[C@@H]12 2002106537 RDCBMNFSJFALPG-UUKFCGTNSA-N 416.602 5.242 30 40 HKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1ccccc1N2 1457505 VVKGJJQYQJVWQD-SSOJOUAXSA-N 416.908 6.025 30 40 HKEB CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1531017 VOCBWIIFXDYGNZ-PDVSWFIFSA-N 400.603 6.401 30 40 HKEB biogenic Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 3191021 QVNGHLNHIOPLFI-OPEKNORGSA-N 411.288 6.875 30 40 HKEB C=CCN(C(=O)Cc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 3327682 SFOYZQYSJLEWGD-UHFFFAOYSA-N 410.542 6.239 30 40 HKEB CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4285242 WAZAVFLQVADKCE-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\C(C)=C\c4ccccc4)c3c2C1 5205181 VPSXTLJIGYFAFD-KCZKUEIASA-N 418.610 6.734 30 40 HKEB C(=N/N(c1ccccc1)c1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 6982532 CDEVQVNWRHOXEZ-XHLNEMQHSA-N 414.512 6.712 30 40 HKEB FC(F)(F)c1cnc(NN/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1 12956127 AVRZUUQMHBWSFM-UHFFFAOYSA-N 413.614 5.137 30 40 HKEB C=CCN(C(=O)c1csc(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 17365232 CJGAKZRXAGEDGR-UHFFFAOYSA-N 403.532 5.766 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 38558872 LQJLWZKFQZZWGW-UZZVPUAOSA-N 402.575 5.449 30 40 HKEB C=CCCCCCC[C@@](C)(C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21 95611357 JVIRYACVCJOJOT-SANMLTNESA-N 421.537 5.559 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 100284893 JAFXHYHJAGKIFH-DEOSSOPVSA-N 422.613 7.228 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c2ccccc21 408812997 DBMJTFIEDUZLET-HMAPJEAMSA-N 401.535 5.644 30 40 HKEB Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 409209319 FQNIRHGQBKWPHG-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 409227833 RSDPPIWJYPAFNM-QRVIBDJDSA-N 412.283 5.945 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccnc3)CC(=O)O4)C2=O)cc1 524731679 HFGQYYBQZSKXQS-CXFFPLRNSA-N 411.457 5.262 30 40 HKEB biogenic Cc1cc(Br)ccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243247 ZNCSWGJTBAFPJG-UHFFFAOYSA-N 417.065 5.408 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 891110 QEVFOMFWIOSIBU-JOCHJYFZSA-N 406.551 5.299 30 40 HKEB Oc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1-c1nc2ccccc2o1 1922364 AUWZZTGFLUVHSF-UAZDYKOFSA-N 419.278 6.379 30 40 HKEB C=CCOc1nc2c(c(C)nn2-c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N 2585266 PPYCQFMUOCDONW-UHFFFAOYSA-N 400.869 5.486 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1 3261699 HCJDPINKPDTMMB-UHFFFAOYSA-N 422.550 5.095 30 40 HKEB CCCCOc1ccc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc1 4889213 MRLDBXPDGBAPEB-NKFKGCMQSA-N 411.501 6.739 30 40 HKEB COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3ccccc3)n2)cc1OC 5003459 QNKZGIRYGQOZBQ-YZSQISJMSA-N 410.477 5.274 30 40 HKEB O=C1/C(=C/c2cccc(Br)c2)Oc2cc(OCc3ccccc3)ccc21 5155876 GIBRMAZKJZDCJV-MTJSOVHGSA-N 407.263 5.644 30 40 HKEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccccc1F 5376936 OTNDUUWJTZILIQ-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1S[C@@H](C(=O)O)c1ccccc1 5741157 SUBUTJGNSIVNDV-MRXNPFEDSA-N 404.369 5.150 30 40 HKEB Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/C12CC3CC(CC(C3)C1)C2 6529739 XPERWGBRJPTPOX-CVKSISIWSA-N 424.382 6.133 30 40 HKEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc21 8959574 QYLZUFXSGYIOLB-UHFFFAOYSA-N 419.308 5.183 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc4ccccc4[nH]3)c2C#N)C1 13881577 XFTGPAYGVNDGBK-ZDUSSCGKSA-N 424.595 5.378 30 40 HKEB CC[C@H](C)Oc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O 14009017 LCMFHQBGNUPBCX-YOICFVQHSA-N 410.539 5.114 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2c(c1)CCC2 19851059 GDFYKUZBQUDVOJ-YDZHTSKRSA-N 412.356 5.897 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccs2)cc1OC 20727460 OQJYOYVSSOOVDU-JLCFBVMHSA-N 422.506 5.020 30 40 HKEB O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(Br)cc1 55129538 ONVJJRWGKQMIPO-BUHFOSPRSA-N 422.366 6.031 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/c3ccc(Br)cc3)cc21 223521763 DJESOEYVOKYAIC-AFUMVMLFSA-N 411.387 6.918 30 40 HKEB CC(=O)O[C@H]1CCC[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)C(C(=O)c5ccccc5)=CC[C@H]34)[C@@]12C 253616941 NCAXLVUROKVMHK-XVYKHKFQSA-N 420.593 6.380 30 40 HKEB O=C1CCCC2=C1C(c1c[nH]c3ccccc13)C1=C(CCCC1=O)N2Cc1ccccc1 408892901 AGAPSYUDWKQGII-UHFFFAOYSA-N 422.528 5.782 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccccc1 408910013 VPYITMYMEOSOHS-PHDVVCPESA-N 402.494 6.191 30 40 HKEB Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)c(C)c1 408961739 VBVBPAPGCQJORK-AQAUNXFGSA-N 405.567 5.446 30 40 HKEB CCOC(=O)c1c(/N=C\c2ccc(-c3ccccc3C#N)o2)sc2c1CCCC2 409063227 JAIUXLOWERSXBB-QFEZKATASA-N 404.491 5.686 30 40 HKEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 815780 LXHWCUJKZSFGBD-OAQYLSRUSA-N 412.917 5.666 30 40 HKEB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1 855917 NPFSSFGNXNPELV-BUUZQLDUSA-N 423.369 5.716 30 40 HKEB C=CCSC1=N[C@]2(C[C@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)CC(C)(C)N1 4160194 OYESSJDMWWZZCH-KOSHJBKYSA-N 424.566 5.064 30 40 HKEB CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C 4178706 HYWJWQQIDDGRNG-KOAXPVKMSA-N 404.558 5.248 30 40 HKEB CCCCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 4459747 CYMYDBBBHPKIOM-VWLOTQADSA-N 404.554 6.478 30 40 HKEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O 4910576 FLWULCZTFHTHKK-OAQYLSRUSA-N 417.553 5.014 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)c1O 5003353 OYYVLISDLPJMDI-WGOQTCKBSA-N 410.477 5.279 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3ccccc3O)C(=O)N2c2ccc(C)cc2)cc1 5543307 XBTFDNPBCHKAAX-YWROOUKNSA-N 400.503 5.818 30 40 HKEB Cc1cc(-c2ccccc2)nc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 7256414 JXGUUSVBAQWWAN-UHFFFAOYSA-N 412.518 5.295 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccccc1Cl 8965448 DCQMWOWKPJBGJN-UHFFFAOYSA-N 418.974 7.294 30 40 HKEB Clc1ccccc1CN1CCN(/N=C\c2c3ccccc3cc3ccccc23)CC1 28349962 IFXSCDOYHRYSCK-VEILYXNESA-N 413.952 5.798 30 40 HKEB Cc1c(F)c(F)c(COC(=O)[C@H]2[C@@H](/C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F 31274290 ZFHGXWPMULPQSE-CXQRGBQISA-N 418.736 5.552 30 40 HKEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SC2CCCC2)cc1 36398090 VENQSKQQPNPZST-HXUWFJFHSA-N 423.563 5.012 30 40 HKEB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccc(F)cc2)C1(C#N)C#N 43701752 OQDJRLNLVPDQLH-ZRBLBEILSA-N 413.496 5.151 30 40 HKEB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)CCC#N)cc3)c3ccccc3C2=O)cc1 57399434 TYYFUENSFGPGMS-XIEYBQDHSA-N 421.500 5.073 30 40 HKEB CSc1ccccc1/N=C/c1cc(Br)c(I)o1 59104346 HXVPVXNMSRKVMZ-VIZOYTHASA-N 422.085 5.119 30 40 HKEB S=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)Nc1ccccc1 83302540 BOIVZOOAJHKHBY-UQQQWYQISA-N 414.534 5.041 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 108871313 PXYDBIAHSCTWFF-XHSDSOJGSA-N 418.994 5.055 30 40 HKEB Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc2ncccc2c1 144821520 CSYMUMFIMKOZGX-AFUMVMLFSA-N 404.311 6.155 30 40 HKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N 225845117 HISYZDKZQMBZEG-LJQANCHMSA-N 402.579 5.932 30 40 HKEB CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC 408728844 VHGFNHWMMWNGPI-RDRPBHBLSA-N 422.484 6.643 30 40 HKEB COc1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1Cl 408787391 ZGKMAWWJPUAPNG-OQLLNIDSSA-N 423.719 5.003 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1C 408909140 GNXKFNVTZKULAC-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCC(C)C 408911232 MIEMIAHOOPWDJS-GRUKXCDCSA-N 410.539 5.272 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OCC(C)C)C(=O)N1C 408911439 JNLJOZKLGMGANP-MDIFQPDJSA-N 424.566 5.526 30 40 HKEB COc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409203347 VQMDLRWMMVCTEV-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 409217151 SOLVUIZLJNAFFZ-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccc(F)cc1 409244838 JIPZBCGGAHERPH-CWFNPDHMSA-N 423.557 5.748 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1c[nH]c2ccccc12 1531236376 ULWQBZAYZJPPOK-ZGUVFNMESA-N 423.314 5.036 30 40 HKEB Cc1cc2c(cc1C)N[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(CC(C)(C)CC1=O)N2 1312666 BCIWCPWQIVCPJO-QFIPXVFZSA-N 407.470 5.139 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)cc1 1433830 AXEOKWLLNWPNPY-WSDLNYQXSA-N 422.238 5.916 30 40 HKEB Cc1cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(O)c([N+](=O)[O-])c1 3162675 JBWMKAUNBYPEQD-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2Cl)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4117222 IHUQXEDTZYJQAX-VSKRKVRLSA-N 415.924 5.357 30 40 HKEB COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 5540810 AVRLGHHVAPJSTH-MIHXGWCRSA-N 419.908 6.022 30 40 HKEB COc1ccccc1NC(=O)CNc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 6084287 IJBURCVEFFPVFK-LJQANCHMSA-N 405.885 5.055 30 40 HKEB CC[C@H]1CSC(Nc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)=N1 6822473 IUIZRMXBZSIWKV-DHINHOHASA-N 405.350 6.183 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 13305902 PBDMZGCAFNAXMX-AWQFTUOYSA-N 421.196 5.516 30 40 HKEB COc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 15228756 MQVMXXLAUMKKQA-JVWAILMASA-N 401.893 6.831 30 40 HKEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088029 RXKVVJFSPGPUAR-UHFFFAOYSA-N 421.400 5.624 30 40 HKEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 59137853 YXWGOAFFRCUOOM-UYRXBGFRSA-N 422.531 5.639 30 40 HKEB COCc1cc(C)nc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C#N 59433711 DHAZUBOSTIJXFI-LGJNPRDNSA-N 420.900 5.087 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1 102449851 KRUPAYPFWTUIPT-LJQANCHMSA-N 419.912 5.020 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC 102595715 LAAZWXRNJIEGKN-MOBKVPTQSA-N 407.510 5.006 30 40 HKEB CCCCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@H]1CCCO1 104053544 UPNARAPJXYOZGZ-VSGJHWFKSA-N 410.639 6.738 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 118936454 DNHVTVKDKYLDFF-JSAMMMMSSA-N 400.647 6.808 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)C(F)(F)C(F)(F)F 169795126 XLCYITIKRMXGCZ-UHFFFAOYSA-N 422.200 6.993 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)cc1 408787978 BTXCGNCFHRVQJX-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910692 HLKYRVORKUPQPG-PCPGVWIYSA-N 422.594 6.432 30 40 HKEB C#CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 408918293 IPSPUIJZBGYYNP-HZHRSRAPSA-N 413.498 5.397 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC(C)C 409105262 KIEZSMOHZWNLLG-PGGKNCGUSA-N 401.816 5.386 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccc(OC)cc1 409224907 JGYJXNJOTIUWHY-LRXZINBSSA-N 422.481 5.718 30 40 HKEB COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O 798811 ZGCYWJZKMKUDTL-FSJBWODESA-N 423.266 5.722 30 40 HKEB C=C1[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 1462566 BIVLRFGJAOMWBY-FGZHOGPDSA-N 404.554 5.661 30 40 HKEB CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C/c2ccccc2)C1=O 2903921 HROKAEJVPCLXHR-HMMYKYKNSA-N 401.487 5.383 30 40 HKEB O=C(Oc1ccccc1/C=N/c1ccc(O)cc1)c1sc2ccccc2c1Cl 3095194 OQHBVMRXIKEAAT-ZMOGYAJESA-N 407.878 6.230 30 40 HKEB O=C(C1=C2SC=C(c3ccccc3)N2CCCC1)c1ccccc1Br 3211335 VPECTOZITBDGAA-UHFFFAOYSA-N 412.352 6.075 30 40 HKEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CN(CC)CC 4044002 GTTCYPNRLFPECI-CMNQHTDYSA-N 415.618 6.006 30 40 HKEB biogenic COc1ccc(-c2nc(N/N=C/c3ccccc3OC)sc2-c2ccccc2)cc1 4409994 QAFIDFUTLGBPKA-PCLIKHOPSA-N 415.518 5.940 30 40 HKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc12 4849046 WIMKRRXXXQLZSK-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5966396 FBVHLQSIQNVZDG-JLPGSUDCSA-N 413.473 5.810 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 6962391 XWMOOXHFFMFHAN-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCc3ccccc3)c2C#N)cc1 8441325 COPKOFRINKDUSD-UHFFFAOYSA-N 422.553 6.897 30 40 HKEB N#Cc1cccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)c1 9197035 FZUVCVPAWOZKDO-LGJNPRDNSA-N 410.304 5.568 30 40 HKEB CC(=O)Nc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 12416634 QAFSCLJGTWWAAG-DEOSSOPVSA-N 422.488 5.167 30 40 HKEB C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/Cn1c2cccc(=O)c-2nc2ccccc21 16953171 APNRZHLOPQFNMR-HCUHUEOSSA-N 400.566 6.610 30 40 HKEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)n1ncnc1N2 18197929 ANYNUZQAHZVHMO-YADARESESA-N 424.529 5.422 30 40 HKEB Cc1ccc(NC[C@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 26895944 BYYNWSZUIODBGI-IBGZPJMESA-N 421.338 6.056 30 40 HKEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccccc3Cl)nc2c1 35292334 QOCHAMVBGUMNLJ-UHFFFAOYSA-N 423.973 5.165 30 40 HKEB COc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59463668 UMDAREOUDVJECJ-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc(OC)cc1)C(=O)c1ccccc1-2 100856133 BVRXJXVZQOZYGF-UYRXBGFRSA-N 403.434 5.090 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 109116631 SAHAFMLNIMLRTA-VXLYETTFSA-N 413.109 5.370 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1OC 408910211 GHRCOUSQJLWULK-QMSJJHEMSA-N 424.566 5.662 30 40 HKEB CC(C)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccccc1 408910364 KLDFFIYIEXSJSO-SMSCYPBYSA-N 417.328 5.167 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C)c1 409077855 AKTTXLXSQGNVST-JFLMPSFJSA-N 403.522 5.706 30 40 HKEB C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409122315 XTSXZTBLVUASES-UHFFFAOYSA-N 418.493 5.913 30 40 HKEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3c(CC)cccc23)C1=O 409128626 SNTUCQBELNFZGU-STZFKDTASA-N 402.519 5.474 30 40 HKEB CC(C)CN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 409153807 NBXUBZQYZOUEAJ-HRRUJZEASA-N 417.578 6.482 30 40 HKEB CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409200000 GKRRPFVBLUJPPG-AFUMVMLFSA-N 424.884 6.285 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 409213198 PBNMXHBUQZEFOQ-UHFFFAOYSA-N 421.537 5.121 30 40 HKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(C)cc1)C2 1077291 DMRCRSNWHYGCAU-PPHZAIPVSA-N 410.517 5.983 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1 1878354 UDBUBOWFKAAPJP-FSJBWODESA-N 407.813 5.436 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2F)sc2c1CC[C@@H](C)C2 4554205 KCJONXCMOFHBSK-PJAVDKHJSA-N 420.553 6.632 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1 5062932 PHLGJEJLJSMJFO-ZVBGSRNCSA-N 408.310 5.580 30 40 HKEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCC 9197482 AZCMUDAWHPXWQH-LSHDLFTRSA-N 401.721 5.568 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3cccc(Cl)c3)nn1[C@@H]2c1ccc(F)cc1 9731819 UCJBHKJCTVNEAB-HXUWFJFHSA-N 422.891 5.396 30 40 HKEB O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/Cc2ccccc2)cc1 14920455 LLUGQRMGDSGBJX-XMGIWCJVSA-N 420.306 5.687 30 40 HKEB N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@@H]1CC=CCC1)C[C@@H]1CCCO1 15218539 YCMWNXIKOMYOIV-OLZOCXBDSA-N 400.737 5.255 30 40 HKEB Cc1nc(N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc1C 16696184 AQEOLBOVFCSABN-LSHDLFTRSA-N 406.338 6.092 30 40 HKEB Brc1ccc2[nH]cc(/C=N\N=C3c4ccccc4-c4ccccc43)c2c1 16921064 JWNYHTRMGJXGLY-MXAYSNPKSA-N 400.279 5.782 30 40 HKEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S1 18093984 GCQFGRKZMLWMFW-UNOMPAQXSA-N 409.898 5.036 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 87493028 LTLKHSBYMNKWPF-WSDDEMAPSA-N 414.674 6.814 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)SC1=S 408840801 GCDGRYQCOPVCNM-MFOYZWKCSA-N 406.935 5.274 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2C#N)C1 409080491 DUQSGYFEBAQQKR-FBRGJASNSA-N 411.483 5.158 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccccc1F 409118002 YKMPNUFTTJWZGL-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409209920 JTGSTPXRGVMNKK-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccccc2Cl)cc1 409375661 NQHZFFUKEGDGFX-QFEZKATASA-N 408.885 5.217 30 40 HKEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Cl)c2Cl)ccc1O 705690 UESBTQNHTUZTQA-WYMPLXKRSA-N 412.276 5.773 30 40 HKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O 883194 VISZTGLDVPKYOK-WXTAPIANSA-N 412.489 5.380 30 40 HKEB CCOc1ccc2nc(SCC(=O)Nc3c(CC)cccc3CC)c(C#N)cc2c1 1354835 PDAJXRUNGBTSBL-UHFFFAOYSA-N 419.550 5.361 30 40 HKEB C=CCSc1nnc(-c2cc(-c3ccccc3)sc2N)n1Cc1ccccc1 2181093 SNUGRYPFPIZXLB-UHFFFAOYSA-N 404.564 5.582 30 40 HKEB CCSC1=N/C(=C(/C=C2\Sc3ccc(OC)cc3N2CC)CC)C(=O)S1 4048106 LQWRCMLKBZMTQZ-OGLSOCIUSA-N 406.598 5.515 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 6160053 OLIOKHSYEAVOGI-DEOSSOPVSA-N 419.565 6.277 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 6720164 CRILEZVVHNJHKY-UHFFFAOYSA-N 416.571 5.550 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1Cl 7939545 VHKPHPJVNVYRKE-RIYZIHGNSA-N 422.908 6.222 30 40 HKEB O=C(/C=C(\CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 8618914 XJGXGZHDJYEUQO-SZXQPVLSSA-N 419.524 6.192 30 40 HKEB CC(C)Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 9328219 RVUSENOHNXYYBJ-UHFFFAOYSA-N 410.930 5.101 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4cc(C)cc(C)c4)NC3=O)c2C)cc1 13799483 QBASJMPBROYZJY-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1cccs1 15826330 WUVFWRRKSPEQQK-RUZDIDTESA-N 414.574 6.565 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 18121920 JBHBVPKOVZUIHF-JIPXPUAJSA-N 408.501 5.607 30 40 HKEB COc1ccc(/C=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1Br 31833840 WXMQGAUBPHQWQO-UKWGHVSLSA-N 406.280 5.166 30 40 HKEB C1=C[C@@H]2c3ccccc3N[C@H](c3ccc(/N=C/c4cccc5ccccc45)cc3)[C@@H]2C1 59471676 NSRDOBGLWZDKTE-CRKVOJROSA-N 400.525 7.417 30 40 HKEB CCCCCCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100701319 AFANIPMFKLJSKR-DTQAZKPQSA-N 424.492 5.395 30 40 HKEB CCCCCCCCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 100863965 UTWNBSMAOHVOMY-XMMPIXPASA-N 418.669 8.527 30 40 HKEB CO/N=C/C(=C\Nc1ccc(C(F)(F)F)cc1)c1ncc(C(F)(F)F)cc1Cl 100911774 WJNRYDVASDXDKK-BWHWZERSSA-N 423.744 5.858 30 40 HKEB S=C1N(c2ccccc2)/C(=N/C2CCCCC2)[C@H](N2CCCC2)C12CCCCC2 101377318 DUINUOPVOYFWBA-WWCBRRATSA-N 409.643 5.980 30 40 HKEB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 104088468 PMMYSYQPKNASIL-UHFFFAOYSA-N 412.596 5.406 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Br)c1 408591539 USVGBMRVUUIWHG-WSDLNYQXSA-N 408.303 5.179 30 40 HKEB N#Cc1c(/N=C/c2ccccc2OCc2cccc(Cl)c2)sc2c1CCCC2 408806155 ABMXPMKQIVABCA-VULFUBBASA-N 406.938 6.482 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c3ccccc23)C(=O)N1CC 408909519 DJKKUSDDSCJWMC-OQNHBUHUSA-N 416.546 6.035 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409215513 AFOYDXHGGUHPON-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 409216872 PFKGPCZPVVUUOF-DHRITJCHSA-N 412.302 6.535 30 40 HKEB Cc1cc(C)c(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c(C)c1 409286668 WTRDXPJNPUVVCR-UHFFFAOYSA-N 412.331 5.090 30 40 HKEB N#Cc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1083811673 AXJZXYWMQLHSOO-UHFFFAOYSA-N 401.175 5.041 30 40 HKEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)o1 4699957 PZYSKMVLTLYQHD-ONAMSPKSSA-N 410.298 5.095 30 40 HKEB COc1ccc(C(=O)CC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1 4776399 WONSGZLNABABQT-UHFFFAOYSA-N 414.486 5.267 30 40 HKEB Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)c2ccccc21 5163928 OGRRQBBMASQBNN-IUXPMGMMSA-N 402.306 5.377 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1OC 5527516 RLINMFWVJJZWCS-PCLIKHOPSA-N 415.518 5.940 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccc(C(C)C)cc1 8559402 CWCWYRXYFJQARK-WGDIFIGCSA-N 411.549 6.250 30 40 HKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 12406382 KVUCRAMYIJSUMC-LRRRQAIWSA-N 424.544 6.795 30 40 HKEB Cc1ccccc1N/C(S)=C(/C(=O)c1cc(Cl)ccc1Cl)[n+]1ccccc1 13081311 VBDSLDZGBQOMDF-UHFFFAOYSA-O 416.353 5.640 30 40 HKEB O=[N+]([O-])c1cc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1Cl 16384267 IMUBXKKNFIGVTK-QFSHWATDSA-N 415.652 5.269 30 40 HKEB Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)c(Cl)c1 100922992 IZRKBEKJXVVLDZ-CVKSISIWSA-N 406.316 6.465 30 40 HKEB CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925836 RUVUHIUYGJBLGI-PMHSSBKESA-N 412.702 8.233 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 223474784 KZFMJIDJUXSUEF-YDZHTSKRSA-N 423.473 5.359 30 40 HKEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611379 GJEIERNFTMEQDV-UHFFFAOYSA-N 400.327 5.000 30 40 HKEB N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1Cl 225889075 GVRGXDAECIUAFN-UHFFFAOYSA-N 408.741 6.102 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408850917 GIPMCZVJWNEQRQ-PNONHOFXSA-N 420.578 6.268 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)s2)cc1 409021827 ANMPIHPLTFSSCP-HZHRSRAPSA-N 414.983 6.140 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 409210687 KACBTJAIDNKOGS-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 409213003 NUFZXIPKNQKYHZ-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1-c1ccccc1 409308413 YJDXHQPSPWCFDB-UHFFFAOYSA-N 424.548 5.734 30 40 HKEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409361453 SQCGGKWRHIGMGL-CXUHLZMHSA-N 421.330 5.302 30 40 HKEB N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc4ccccc4c3)n2)s1 585293592 JJRBSEOJIZLMGZ-JOCHJYFZSA-N 411.534 5.644 30 40 HKEB N#Cc1c(OCc2ccc(F)cc2)nc2c(c1-c1cccnc1)CCc1ccccc1-2 642542 SEBSPXJEWCGEGS-UHFFFAOYSA-N 407.448 5.499 30 40 HKEB Clc1ccc(Oc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2Cl)cc1 1653644 XROGJXMBTGUNFK-BHGWPJFGSA-N 411.115 7.843 30 40 HKEB Cc1ccsc1/C=N/c1ccc(-c2ccc(/N=C/c3sccc3C)cc2)cc1 2132998 QVOOGTXOFMPPNT-RYQLWAFASA-N 400.572 7.595 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(F)cc1 2431721 GIEDTFKCXPOOPA-UHFFFAOYSA-N 418.497 5.154 30 40 HKEB Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 3301061 AHTHHJFMVZMTMX-UHFFFAOYSA-N 416.937 6.060 30 40 HKEB Brc1ccc(OCc2cccc3ccccc23)c(/C=N/c2nnc[nH]2)c1 4512337 HYIFBPAJEVUBGP-SSDVNMTOSA-N 407.271 5.050 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C#N)C1 5383761 RWIIHVRVEALRPZ-NSHDSACASA-N 417.918 5.585 30 40 HKEB O=C(/C=C/c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 5729094 JBCOKVQODJEFMN-MDWZMJQESA-N 403.840 5.884 30 40 HKEB N#Cc1c(SCc2c(Cl)cccc2Cl)nc2c(c1C(F)(F)F)CCCC2 8993582 YPGCFBQUZAOVFN-UHFFFAOYSA-N 417.283 6.450 30 40 HKEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 9499717 TVCKMFOGVQQEAI-UHFFFAOYSA-N 420.365 5.951 30 40 HKEB Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 10119154 GSFCZHJYVSGIIK-RWPZCVJISA-N 422.359 6.429 30 40 HKEB Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 59105949 GAWCESNKYPUKNO-NDENLUEZSA-N 409.461 5.264 30 40 HKEB CCCCCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 100544110 IKKOEFAXERCDOM-PGAZUGQPSA-N 401.550 5.413 30 40 HKEB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C#N)c1-c1ccc(C(C)C)cc1 100925221 AKTMAMNFRRATQY-PZBISTMVSA-N 420.534 5.180 30 40 HKEB CCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F 103530098 AWMBUEQIAGTFOI-ISLYRVAYSA-N 420.497 9.247 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677470 AHYACTFGLRAXOZ-UHFFFAOYSA-N 407.470 5.096 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3)c3ccccc32)c1 408544126 UWHPFKDBALKXST-WGARJPEWSA-N 402.881 5.880 30 40 HKEB O=C(Nc1ccccc1)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCCCC2 408971216 DTSCPUHVRGPENC-WGOQTCKBSA-N 406.526 6.549 30 40 HKEB CCCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409034106 GQNLYVHLRHLNML-MRUKODCESA-N 412.374 6.056 30 40 HKEB CCCN1C(=O)/C(=C/c2ccccc2OCC)S/C1=N/c1ccc(Cl)cc1 409078041 HETDACWUHPDNLX-QUUARBKMSA-N 400.931 5.753 30 40 HKEB CCCCCCCCc1ccc(-c2ccc(-c3nc(Cc4ccccc4)no3)cc2)cc1 2054786 HMTGWGJNCYKZFG-UHFFFAOYSA-N 424.588 7.897 30 40 HKEB Oc1c(Br)cc2oc3c(c2c1/C=N/c1cccc2ccccc12)CCCC3 2277072 PMXXGBARTDUGJX-DHRITJCHSA-N 420.306 6.684 30 40 HKEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(Nc3ccc(Cl)cc3)nc12 3168332 XPBURMNTYFUVQK-DHRITJCHSA-N 423.303 5.804 30 40 HKEB CCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccccc1 3250473 BCEYQJZQAHATQL-VWTGEQJNSA-N 415.356 5.853 30 40 HKEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccc(OC(F)F)cc1 3302557 PLUWVWYMPHTKGV-FLFQWRMESA-N 404.482 5.678 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccc(Cl)cc1Cl 3317805 DCVSMDJYYQEVGP-UHFFFAOYSA-N 414.313 6.373 30 40 HKEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 4905170 MIPISNOMXVNPMV-SFHVURJKSA-N 404.293 5.372 30 40 HKEB Cc1ccc(-n2c(S[C@H](C#N)Cc3ccccc3)nnc2-c2ccccc2)cc1C 6831104 BAICESALDTVMEW-QHCPKHFHSA-N 410.546 5.778 30 40 HKEB CCOc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 6962622 WZWZMHPZCKMORZ-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 8432402 VBDGSQVNYCWEGE-OAHLLOKOSA-N 424.591 5.134 30 40 HKEB Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc2ccccc12 9196436 RKKOOLIUTKRIGS-MZJWZYIUSA-N 422.359 6.678 30 40 HKEB C(\CCc1ccccc1)=N\Nc1nnc(N/N=C\CCc2ccccc2)c2ccccc12 17418176 LXOFTDWIFKLDTK-RSSRHXQMSA-N 422.536 5.691 30 40 HKEB Cc1cc(O)c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20647520 YZTVZZSCIQVRIO-QZDMBBGESA-N 403.478 5.295 30 40 HKEB Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28217538 DXFGVCMJLXXOPI-FSJBWODESA-N 417.365 5.721 30 40 HKEB C=C(C)CSc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 32674115 OXYRAFJNJNZAOM-CYBMUJFWSA-N 423.654 5.216 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1C 59250150 YUTSRYMOOZMNHH-MOSHPQCFSA-N 407.926 5.639 30 40 HKEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 59459723 KDGFXQXTBIXPHD-VNSNFZHPSA-N 421.903 5.246 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1cc([N+](=O)[O-])cc(C)c1O 100552337 OHKYACABFVEKIS-MYKKPKGFSA-N 421.840 6.129 30 40 HKEB CCOC(=O)c1c(/N=C/N(C)C)sc(/C=N/Nc2ccccc2)c1-c1ccccc1 101474099 GTAGFDFJTCRVPB-HHBCHXPSSA-N 420.538 5.259 30 40 HKEB CCCCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)cc1 103168051 UPLHOAGYRVAELG-HSZRJFAPSA-N 411.545 6.807 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(-c4ccccc4)cc3)cs1)C2 103772379 ZZCMYMJPBRHXIB-XQOFPBQZSA-N 401.579 7.091 30 40 HKEB CCN(CC)c1ccc(/N=C2/C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 104087346 SOGANZAFQORHIT-FVDSYPCUSA-N 423.516 5.415 30 40 HKEB CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)c(C)n1 105263941 IATLNWYXDOFXTO-GSFYFPTOSA-N 404.554 5.339 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 409083459 APXOVACQTYINMD-FYJGNVAPSA-N 422.937 5.874 30 40 HKEB C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC 409088734 XTQJTAMKLADKQH-AEIQVQRHSA-N 406.551 5.542 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409101118 VMSUTOZVMNMKRY-LGPHULDDSA-N 416.241 5.486 30 40 HKEB CCOc1cc2c(cc1/C=N\c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 409101613 WOEVKLJFFQWUPA-DICXZTSXSA-N 403.522 6.032 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 409199427 DBSGWANUJGHUOW-AFUMVMLFSA-N 424.338 6.404 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(Cl)c1 1531276682 OYGDQFWWZGWQLS-JHAVZTMOSA-N 418.722 5.208 30 40 HKEB N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1cccs1 4058084 RLXHNPXLGYHYLL-UHFFFAOYSA-N 413.506 5.521 30 40 HKEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCC2 6254104 PYRADUXWQSGPRH-UHFFFAOYSA-N 411.914 5.758 30 40 HKEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(C)c(C)c3)ccc2C1=O 13623467 PFYZLZGAKNFKRJ-MXAYSNPKSA-N 414.457 5.190 30 40 HKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 36351120 DOFJEHVXUDMMPE-RSXGOPAZSA-N 412.489 5.502 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1O 408938862 RTJWYPYYAGIYFR-OSMVQZBISA-N 424.544 6.676 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(F)cc4)o3)c2C#N)C1 409208945 DLPMMCFWTBXJSN-JZNDDVEWSA-N 406.526 6.920 30 40 HKEB Cc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 409214267 XCWDXEFZZCNVKZ-ZMOGYAJESA-N 424.294 5.785 30 40 HKEB CCOc1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3OCC)cccc12 2842639 CHERQTUPBGMYFJ-CZYCKNNWSA-N 422.528 7.138 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1C 5376588 CKGVRKJVPUGCIS-UDWIEESQSA-N 408.910 6.108 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ncc(CC)s3)cc2)cc1 5418891 GIMUYDMIIQECBS-PCLIKHOPSA-N 422.550 6.244 30 40 HKEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CNCCCN(CCCC)CCCC)[C@H]3C[C@H]12 6778347 CURRYBTXBNEGJH-FYAAGUIMSA-N 418.666 5.183 30 40 HKEB biogenic CC/N=c1\scc(-c2cccc(C(F)(F)F)c2)n1/N=C/c1ccc(SC)cc1 12528730 DYALROIZNJKQCC-IDXBNGHTSA-N 421.513 5.760 30 40 HKEB Cc1ccc(S(=O)(=O)NN=C(/C=C\c2ccccc2)/C=C/c2ccccc2)cc1 17024870 NJAOCDOAPINPJG-JMZLXILTSA-N 402.519 5.056 30 40 HKEB Cc1cccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc(C#N)cc2)CC(O)=N3)c1 32104117 WRULWOUIKJZYPE-GOSISDBHSA-N 401.491 5.613 30 40 HKEB C=CCn1c(SCc2cccc(NC(=O)OC(C)(C)C)c2)nnc1-c1ccncc1 89694249 DVMXEIWRAZJDLK-UHFFFAOYSA-N 423.542 5.165 30 40 HKEB CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 148501827 ZWKHVROBACTZFH-NLTKLDOMSA-N 417.505 6.237 30 40 HKEB Cc1ccccc1OCc1nc(SCc2cccc3ccccc23)nc(N)c1C#N 223683965 GHACBUBEJJIIOT-UHFFFAOYSA-N 412.518 5.263 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 260568210 NVANMWWTLDPJSJ-WJEPFGLZSA-N 417.578 5.861 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c(Br)c1 408766126 ZQLCNLWFHMSDTB-FMCGGJTJSA-N 401.735 6.569 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 408780904 MWSCVEXRDDDTAM-CVKSISIWSA-N 418.493 5.116 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 409053186 LYYSEMLOFHRRGC-HMAPJEAMSA-N 418.587 5.846 30 40 HKEB Cc1cc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc([N+](=O)[O-])c1C 409090044 OGWYTDMHEQYEJB-WGARJPEWSA-N 404.510 6.136 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(C)s3)sc1C2 1095260 IAUNLELUTWBIRJ-UFWORHAWSA-N 405.342 5.606 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(C)ccc2C)cc1 1437514 ROIILOHVTVRSFY-PIKZIKFNSA-N 408.545 6.591 30 40 HKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 2055348 GDKOVKMDDBQQTR-LJQANCHMSA-N 407.432 5.017 30 40 HKEB C(=C/c1ccccc1)\C=N\c1ccc(-c2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 2252003 BKBAIJQCUFJKKU-GXTDLMGOSA-N 412.536 8.185 30 40 HKEB COc1ccc(OC)c(/C=C\C2=C(C)C(=O)C[C@@H](c3cc(OC)ccc3OC)[C@@H]2C)c1 5395661 XFKMHVHJTMTWOA-GMUFGDSQSA-N 422.521 5.443 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1 8743338 MIBOZNPETYAVEC-NRFANRHFSA-N 420.440 5.028 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(C)cc3C)cs2)cc1 15189022 MCGCXRAJQFCMND-WUXMJOGZSA-N 406.507 5.349 30 40 HKEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C(C)C)cc1 17242270 QJSCDOPGEURGPG-VHAJSEAWSA-N 423.582 5.407 30 40 HKEB Cc1ccc(/C=C2/CCC/C(=C\c3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 31872018 OLMOKVKLMNWDCR-JVBWRSBESA-N 401.550 5.907 30 40 HKEB CCCCCCCCCOC[N+](C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 68576550 PXWQLYKPHGAMNP-UHFFFAOYSA-O 420.702 7.288 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3C)nc2c1 100502235 RANLLDUTEGYXFD-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB CC(C)N(CC#C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 100744452 LTKDFKKKYXDIAU-MPYJOUPCSA-N 417.593 5.998 30 40 HKEB Cc1cccc(/N=c2/scc(-c3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)c1C 102960775 AMCFOVDHYZUZLY-CFWSEZGPSA-N 419.500 6.226 30 40 HKEB C[C@@H]1CCC[C@@H]1/C(=N\S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 104075338 NBQUCXZYAGHOST-UMSFUGNGSA-N 403.375 5.003 30 40 HKEB CN(C)c1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N\c2ccccc2)cc1 104311302 DJWXJQJTFZVOEH-VNABVMDTSA-N 416.575 6.051 30 40 HKEB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](OS(=O)(=O)c4ccccc4)CC[C@]3(C)[C@H]1CC2 118927635 VYZOPUAZRRVXFL-XUIKZYCZSA-N 416.627 6.193 30 40 HKEB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 214777811 CYTLHLZAEFWHJY-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cccc2ccccc12 408618677 DWKNSKYXDIFWMY-BMRADRMJSA-N 408.497 6.714 30 40 HKEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)OCC)cc3[C@@H]3C=CC[C@@H]32)cc1OC 408736378 RDVSFPDOERYIJG-IMWIBFENSA-N 405.494 5.263 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)c1 408766927 XCCKUCBFJDPWPD-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cc(C)ccc2C)cc1 409208031 AIGVLQJBKOOISP-ZVHZXABRSA-N 413.926 5.784 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1C(C)C 409211577 OHHHAPAKFPMAAH-RRJMXWIWSA-N 412.530 5.494 30 40 HKEB CCOc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc23)cc1 409218170 SWLWQJSFNOZCTO-MTDXEUNCSA-N 424.500 6.007 30 40 HKEB COC(=O)c1ccc(C)c(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409228981 IAQITGXVCOHDMM-DICXZTSXSA-N 400.453 5.674 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 2306351 QPDCHNDWUZZKKP-KRWDZBQOSA-N 412.580 5.131 30 40 HKEB Cc1cc(C)cc(/N=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)c1 2342604 MLGWUOZIQVXYGZ-YBNBZSSTSA-N 408.545 6.259 30 40 HKEB O=[N+]([O-])c1ccc(/C(=N\Nc2ccccc2)Sc2cccc3cccnc23)cc1 4523900 ZSMVCPDJQWLLMS-YYDJUVGSSA-N 400.463 5.709 30 40 HKEB O=C(/C(=C/c1ccc(O)cc1)c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 5600372 YRFGPKQJZQCTOD-PDGQHHTCSA-N 402.431 5.334 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2/C(Br)=C\c1ccccc1 8951512 VNVLZAVRMFRLKA-CNCHJIQNSA-N 423.354 5.972 30 40 HKEB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C(=N/c2ccccc2)N1C1CCCCC1 12470003 SLHSJUHMPDOIEN-JHHKTYBCSA-N 423.494 5.237 30 40 HKEB CC(/C=C(\C)c1ccc(-c2ccccc2)cc1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13407713 TYWYLEHJUMGPDQ-VQYBOMLGSA-N 416.437 6.061 30 40 HKEB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(N2CCOCC2)c(F)c1 48231748 TVUIDYJSZQOZLL-RMKNXTFCSA-N 411.860 5.472 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2s1 72228587 YMPKTOVCKNRGDJ-DICXZTSXSA-N 422.598 6.661 30 40 HKEB CCCCCCCNC(=O)CCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 98045218 MWDRURCHUGVBBR-UHFFFAOYSA-N 407.558 5.620 30 40 HKEB CCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100089856 AACVHOJFBPWOJG-FBLLAGFSSA-N 410.663 5.588 30 40 HKEB CCc1ccc2oc(-c3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 100502831 LTTKHXRRIPMKNL-MLZQUUFASA-N 413.433 6.087 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)c(C)c3)c3ccccc32)c1 408543291 QAEQUMYHPMCGJW-MZJWZYIUSA-N 400.453 5.674 30 40 HKEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc2ccccc2c1 408961902 VKAKNQQGBAZNOC-ZYITZIQLSA-N 413.546 5.674 30 40 HKEB COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(F)cc3)nc3c2CCC3)cc1 663637 JNPDYTAXAWNUGM-UHFFFAOYSA-N 418.493 5.232 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 820505 HCPATLLVCBOPRC-IBGZPJMESA-N 422.352 5.549 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 2260075 LJGVTRXEFQGBTI-KVZWLNNISA-N 413.974 5.673 30 40 HKEB N#Cc1c(NC(=O)COC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 3272828 VWVZLICEKOGRED-UHFFFAOYSA-N 422.440 5.281 30 40 HKEB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](c2ccsc2)C1(C#N)C#N 4785059 JUDKOWQOZFHSKS-NJYVYQBISA-N 401.535 5.073 30 40 HKEB CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 4808683 OVBJRDJVKMBEDD-OAHLLOKOSA-N 408.571 5.406 30 40 HKEB Cc1csc([C@H](C#N)C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)n1 9949879 OHTUNDFOAOGOBS-OAHLLOKOSA-N 422.560 5.092 30 40 HKEB c1ccc2c(OC[C@@H]3CO3)c(Cc3ccc4ccccc4c3OC[C@H]3CO3)ccc2c1 13372545 OCTGJOAYIZMTFA-ZRZAMGCNSA-N 412.485 5.139 30 40 HKEB CCOc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 19820369 YAYODTBTXXZHFR-UHFFFAOYSA-N 418.566 6.177 30 40 HKEB C=CCc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(OC)c1 24767618 LGFUUGHILDWLLL-RUZDIDTESA-N 419.546 5.038 30 40 HKEB COc1ccc(-c2nn(CN(C)CCC#N)c(=S)n2-c2ccccc2C(C)C)cc1 25157180 PVYVKXJRRYOHCY-UHFFFAOYSA-N 421.570 5.005 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\Cc1ccccc1 28615379 XWULZBDJAJBLFX-ZMPCKTLKSA-N 423.607 5.719 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 35415703 VUCDSTCRVYGRSG-NXAOOIFMSA-N 400.647 6.568 30 40 HKEB biogenic N#Cc1ccc(COCC2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 77191703 NERJFULBZNQASE-UHFFFAOYSA-N 403.551 5.111 30 40 HKEB CC1=C(c2ccccc2)Oc2ccccc2/C1=C/C(=N\c1ccccc1)c1ccccc1 100108739 CWCPBIXVTKURAW-DUXJWBFDSA-N 413.520 7.715 30 40 HKEB CCCCCCCCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 100544113 IKKOEFAXERCDOM-AYIBLLACSA-N 401.550 5.413 30 40 HKEB CCCCCCCCCCCCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 102903878 QNPFJTOIRUQVCA-SANMLTNESA-N 424.629 6.886 30 40 HKEB COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(C(F)(F)F)c2)cc1 102937665 LTUSFWYZVLGPDX-SZXQPVLSSA-N 410.395 5.321 30 40 HKEB CCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 408737880 YWCIDVUWIBHBQN-SGWCAAJKSA-N 409.533 6.859 30 40 HKEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2cn(C)c3ccccc23)C2=C1CC(C)(C)CC2=O 408889638 IGAFDPGDKWJNHV-UHFFFAOYSA-N 416.565 5.494 30 40 HKEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)c1 408962485 YOCJWIQMDAHIHW-IBORXNHRSA-N 405.567 5.446 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1C 408963808 AWKWODDWONOZHL-HAHDFKILSA-N 415.562 5.857 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 408964910 TYBSTCYUAMGBCE-HYARGMPZSA-N 418.493 5.605 30 40 HKEB CCCCOc1ccc2ccccc2c1/C=N\Nc1nc(C)cc(COC)c1C#N 409006460 JJYGPUQNOZNBMF-YSMPRRRNSA-N 402.498 5.186 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409090750 OIMYUYACEMRIIK-JVWAILMASA-N 403.522 5.787 30 40 HKEB CCOC(=O)c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 409092116 VELJXAPJXPIBKG-YUMHPJSZSA-N 403.522 5.787 30 40 HKEB N#Cc1c(/N=C/c2ccc(OCC(=O)O)cc2)oc(-c2ccccc2)c1-c1ccccc1 409173664 NZYAFLXGIUVAFE-LQKURTRISA-N 422.440 5.699 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccccc2)cc1OCC 409200039 FSXKRFPCSJHKNJ-DEDYPNTBSA-N 409.267 5.229 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccccc2C)cc1OCC 409214946 YUBPLFBXMMSZAB-FYJGNVAPSA-N 423.294 5.538 30 40 HKEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409229676 STTSPRXMTOKKAU-NJPLLEPOSA-N 418.312 5.628 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)cc1OC 409382000 XBVKZXYUEIIJFN-NLTKLDOMSA-N 423.940 7.377 30 40 HKEB CC(=O)Oc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 843376 BXWXRNLJVWPEBG-VULFUBBASA-N 417.534 5.582 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 3089359 YVTIKSHGSUFBPH-WGOQTCKBSA-N 410.429 6.026 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 5418869 IRMMGIAQFUWGAE-OVVQPSECSA-N 421.924 6.879 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 5901830 CBLRWIXJTXGQGH-CYBMUJFWSA-N 417.372 5.786 30 40 HKEB CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1ccccc1Cl 13739152 KZILEGONCFTKDD-DAFNUICNSA-N 412.002 6.929 30 40 HKEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182830 KFRKJPAFRNEXTN-IWIPYMOSSA-N 418.537 5.605 30 40 HKEB COc1ccc(OC)c(/C=N/c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 32616767 ILPVOOGOFKLALK-CVKSISIWSA-N 402.881 6.323 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(Cl)cc1)C2 97939919 RSPLBLJRSNSPMZ-KRWDZBQOSA-N 401.934 6.016 30 40 HKEB CC(C)c1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100004299 ZOMSFOSRJXOPCQ-JOCHJYFZSA-N 410.554 5.669 30 40 HKEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 408849568 WSVWRKCSSHKBCM-XYGWBWBKSA-N 403.551 5.696 30 40 HKEB CCOc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C 409085571 DMYXZVVCLIJXKU-BHGWPJFGSA-N 409.408 5.890 30 40 HKEB COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 409214727 YHIWHUVMWSOQOY-OEAKJJBVSA-N 415.898 5.175 30 40 HKEB COc1ccc2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404186 OLTZZNNLHXPSBV-UHFFFAOYSA-N 405.457 5.108 30 40 HKEB CC(C)=CCCC1=CC[C@H](/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)[C@@H](C)C1 4834810 JKMOBELHGOSJNL-VISNFXCDSA-N 406.505 5.570 30 40 HKEB CCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 6265137 KBMHWFRSXXWTTA-UHFFFAOYSA-N 421.581 5.791 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C2\C=C(c3ccccc3)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 6575613 PAZRWZCIHGKQQI-PESPDQJRSA-N 414.421 5.542 30 40 HKEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1csc(-c2ccc(OC)cc2)n1 8339627 PMQLFNHOUDQIKD-UHFFFAOYSA-N 418.971 5.291 30 40 HKEB CCCCCCCCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 8425689 QIXZCCUFPTUZOK-UHFFFAOYSA-N 422.639 5.092 30 40 HKEB C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccc(F)cc1 8862442 SBHJKPBGJGMLMA-UHFFFAOYSA-N 421.501 5.175 30 40 HKEB COc1cccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1 9423045 RPCHOIJFIFWSDU-DHRITJCHSA-N 411.457 5.382 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 18197218 AGZASBGIZVNSSS-FQEVSTJZSA-N 403.400 5.287 30 40 HKEB Cc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O 23175889 QKLUXANVMZVNKG-NTCAYCPXSA-N 413.904 6.063 30 40 HKEB C=CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1nc(-c2ccccc2)cs1 36824321 PVMXQCGKDAIEMM-UHFFFAOYSA-N 405.910 5.845 30 40 HKEB CC/C(C)=N\Nc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1 57327655 KGXWXEKYMSPHGJ-IPKBDRFQSA-N 400.651 5.929 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OCc4ccccc4)c3)S2)cc1C 59223895 NRVUCOBBYJZEDP-HZHRSRAPSA-N 414.530 5.774 30 40 HKEB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc12 79052876 DUUQDXBIQXNVCE-UHFFFAOYSA-N 406.898 5.197 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N/c1ccc(OC)cc1 97466967 VXHDHSDFSBFWNP-AHHCQKMLSA-N 421.316 5.065 30 40 HKEB CCCCCCCCCCCCNC(=O)c1c(O)n(CC)c2ccccc2c1=O 102646301 RPOZDAMYJZPIEB-UHFFFAOYSA-N 400.563 5.378 30 40 HKEB CCn1c(N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2ccccc21 408692893 XTVIGOCYOHEIJD-WSDLNYQXSA-N 409.833 5.324 30 40 HKEB Cc1ccc(Sc2oc(/C=N/c3ccc(C(C)C)cc3)cc2Br)cc1 408912005 PKMFIIWCYDRTFM-YDZHTSKRSA-N 414.368 7.376 30 40 HKEB O=C1C2=C(Nc3ccccc3S[C@@H]2c2cccc(Cl)c2Cl)c2ccccc21 2060923 WRJXARRWQCUSNI-JOCHJYFZSA-N 410.325 6.860 30 40 HKEB Clc1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 2067248 VURVLRXJMWSLDU-DFJXIDDLSA-N 409.341 7.686 30 40 HKEB N#Cc1c(SCc2ccccc2)nc(-c2ccncc2)nc1-c1ccc(Cl)cc1 3029395 RMEGUDDBBWNHLX-UHFFFAOYSA-N 414.921 6.023 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 3082716 XJUONHVMLORDBD-VUTHCHCSSA-N 405.497 6.674 30 40 HKEB CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2)nc1-c1ccccc1 3104574 RJCFAHYCCYWBIV-UHFFFAOYSA-N 408.910 5.743 30 40 HKEB CCCCn1c(NC(=O)c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3nc21 3169281 VYACRTRBVBADRR-UHFFFAOYSA-N 403.873 5.162 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCCC3)cc1 4545794 ASLXCLALVQJCIP-MFKUBSTISA-N 405.523 5.424 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4s3)c2C)cc1 6319100 UMSANYHGCCBXKP-ZVHZXABRSA-N 418.522 5.327 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(Cl)c(Cl)c1 7449788 ZJARBBHAHHAJCE-HXUWFJFHSA-N 404.362 6.896 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1C(F)(F)F 8783537 HXZNTDGEURIZMY-UHFFFAOYSA-N 413.424 5.370 30 40 HKEB Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1 8788875 IGQOEVRXKFJAQC-YMKHCOABSA-N 424.452 5.538 30 40 HKEB biogenic Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1 8788877 IGQOEVRXKFJAQC-MQKZQLNTSA-N 424.452 5.538 30 40 HKEB biogenic CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl 8972237 FUHXBCCVSLSSJB-QHCPKHFHSA-N 408.929 5.893 30 40 HKEB COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N=[N+]=[N-])c12 15240214 XEIZGCGXEHNJIJ-UHFFFAOYSA-N 407.282 6.231 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 17147485 HKEPEDSZMBDHAW-NRFANRHFSA-N 405.400 5.056 30 40 HKEB C(=C\c1ccccc1)\C=N/Nc1nnc(N/N=C/C=C\c2ccccc2)c2ccccc12 17418155 AYTJSHHESVZMRL-KIUSKUQYSA-N 418.504 5.852 30 40 HKEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccsc2)cc1OC 20737342 OKBHKNZQMBASTC-YCRPNKLZSA-N 422.506 5.020 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3cccc4ncccc34)nc3ccccc23)cc1 46085394 TWUINKDWTNSEJT-JFLMPSFJSA-N 409.880 5.944 30 40 HKEB C[C@H]1CCC[C@@H]1/C(=N\S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 104075343 NBQUCXZYAGHOST-QARARTDJSA-N 403.375 5.003 30 40 HKEB N#CCCN(c1ccc(/C=N\c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 104296756 CAIIALRYULFLOG-UQQQWYQISA-N 423.925 5.200 30 40 HKEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C#Cc5ccccc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 118914936 CKXFHIVEFDOLKD-HFSJVYJGSA-N 416.605 6.549 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)c1 408965052 FUEQWSZNZAHCHD-VUTHCHCSSA-N 422.528 6.688 30 40 HKEB CC(C)n1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409091010 OMDBEXVYRGXWTE-JYSLEBDSSA-N 403.595 7.057 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC 409215824 BKMJBMNGSAPQOS-WSDLNYQXSA-N 406.707 5.572 30 40 HKEB Cc1ccc(Sc2ccc(/C=N/c3ccc(Oc4ccccc4C)cc3)cc2)cc1 409233668 LSYKNKFJDBEONF-TURZUDJPSA-N 409.554 7.998 30 40 HKEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386060 NXQXKCRSHXCRSO-WYMPLXKRSA-N 422.506 5.181 30 40 HKEB Cc1ccc(CSc2nncn2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1780626 ZIBNUXBGMYSZGI-CVKSISIWSA-N 414.534 5.340 30 40 HKEB Cc1ccc2nc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4O)cc3)sc2c1 2067242 LMXZVEXYZINABF-OGLMXYFKSA-N 420.537 7.395 30 40 HKEB C=C(C)CN1CCN(c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)CC1 2432782 FUVKJDFAWKBQKT-UHFFFAOYSA-N 423.992 5.045 30 40 HKEB COC(=O)c1ccc(COc2ccc(/C=C3\CSc4ccccc4C3=O)cc2)cc1 3347121 LMDXWIYYWPLEAN-XSFVSMFZSA-N 416.498 5.424 30 40 HKEB O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 7141264 BQOFTEJVVDCRCO-CSKARUKUSA-N 404.388 5.500 30 40 HKEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2cc1C 13509433 ILWSXIYIPOBHIK-UHFFFAOYSA-N 423.541 6.121 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1nc2ccccc2[nH]1 16525078 IWIUZWIVKICPOX-UHFFFAOYSA-N 416.453 5.869 30 40 HKEB COc1cc(/C=C/C=C2\CCC/C(=C\C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 17146175 QTCFGIPIXZIJHC-NSKZZCLVSA-N 418.489 5.447 30 40 HKEB C=CCN(C(=O)CCc1nc(-c2cccs2)no1)c1nc(-c2ccccc2)cs1 21597810 JYPUDARFSFOFPL-UHFFFAOYSA-N 422.535 5.073 30 40 HKEB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COc2ccccc2C#N)cs1 23943245 BTOJRSNNLQZRRB-UHFFFAOYSA-N 417.412 5.297 30 40 HKEB Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1N1CCOCC1 59248463 NBJIMSBUQRNGCH-HZHRSRAPSA-N 417.347 5.677 30 40 HKEB C=CCc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1OC 59566879 QXVRRHAPXFBIOH-BOPFTXTBSA-N 419.333 5.622 30 40 HKEB CCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCC 60059891 DTLNWWCVFDUZMD-UHFFFAOYSA-N 400.604 5.940 30 40 HKEB CCCCCCCCCCOc1ccc(/C=N/C/C=C\c2ccc(CC)cc2)cc1 104149494 IZCWHUDBOZKIHM-WFJBKTOWSA-N 405.626 7.901 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N/NC(=S)Nc2ccc(C)cc2)c1O 104276396 XFQVVONBOACZMR-WRIATZMJSA-N 419.510 5.445 30 40 HKEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N 225845143 LWJHKYATBPTFSY-UHFFFAOYSA-N 402.579 5.789 30 40 HKEB CCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 408538849 CLSZCBIRLQJSAX-UHFFFAOYSA-N 424.537 5.782 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2CCc2ccccc2)cc1 408908593 FXEGQDHHMZSYEG-OBUXZSPNSA-N 414.530 5.547 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 408911609 KKBXMBMUCNJEES-IUVRJIPTSA-N 419.377 6.704 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1ccc(N2CCCC2)cc1 408977229 WBHSVALDDJWATG-NDEPHWFRSA-N 422.572 6.750 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1 409023258 WCYBFTYKFYFGDI-BKUYFWCQSA-N 415.474 5.109 30 40 HKEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409072822 LGISOAXVOSYLTQ-FSJBWODESA-N 410.813 5.276 30 40 HKEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409091662 SVGRSWPYZLYEAC-NVMNQCDNSA-N 412.272 6.042 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409201356 LVOJHOHIOSLVCN-CVKSISIWSA-N 402.494 5.389 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 409216216 GFYLROZUVOTSHU-VULFUBBASA-N 413.876 6.216 30 40 HKEB CC[C@H](C)Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409308517 YSMJJLYJVWYSKG-SFHVURJKSA-N 403.526 5.504 30 40 HKEB Cc1cccc(Nc2sc(C(=O)c3cc4cc(Cl)ccc4o3)c(N)c2C#N)c1 1568966 LKXYGECCDRHOMD-UHFFFAOYSA-N 407.882 5.885 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3)nc2c1 8198124 BYZGKOBNDWWMOC-CAUYNWHBSA-N 415.449 6.373 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 8362928 RRUCQIHGPHOAHA-NFEGURHZSA-N 410.539 5.415 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)c2C#N)C1 10372899 YIPCXKWDSJYPIQ-AWEZNQCLSA-N 409.511 5.103 30 40 HKEB Oc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 15228789 ZSPQKNAKQHRSQE-KEBDBYFISA-N 408.704 6.303 30 40 HKEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 17089026 KDUPZOGRFQXVKY-OAHLLOKOSA-N 411.596 5.206 30 40 HKEB C/C(=N\c1ccc(C)cc1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 17094041 DYWVOTBVSGBORE-YZSQISJMSA-N 424.529 5.891 30 40 HKEB Cc1cc(C)c(NC(=NCCCN2CCOCC2)Nc2c(C)cc(C)cc2C)c(C)c1 32714667 OLEUOFXHTMZBMS-UHFFFAOYSA-N 422.617 5.139 30 40 HKEB CCCCCCCCOc1ccc(-c2ccc(CCCCCCCC)cn2)cc1F 97949686 KGFCOUVEOVMWSR-UHFFFAOYSA-N 413.621 8.530 30 40 HKEB CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 100417685 PGUFJVHWCUDSEB-HXUWFJFHSA-N 401.531 5.346 30 40 HKEB C=CC/N=c1/scc(-c2ccc(F)cc2)n1/N=C/c1ccc(C(F)(F)F)cc1 103371566 HANFNPREDABKPZ-VEKYBSPSSA-N 405.420 5.343 30 40 HKEB C=CCc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)cc(OCC)c1O 408819446 SEQVQJXYRNRBNE-MOSHPQCFSA-N 408.523 5.028 30 40 HKEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C2CCCCC2)C1=O 408914255 UDRBDKMITLEKQX-OBUXZSPNSA-N 420.578 6.330 30 40 HKEB Cc1nn(-c2ccccc2)c(O)c1/C(=N/c1ccccc1C(F)(F)F)C(F)(F)F 408923097 OWBRSWWMEWTYHR-QQXSKIMKSA-N 413.321 5.588 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)c(OC)c1 408933797 BLCHZHKMDDTQQI-AZSDFJNISA-N 424.544 6.589 30 40 HKEB N#Cc1c(/N=C/c2cn(Cc3ccccc3F)c3ccccc23)sc2c1CCCC2 408976498 ROVAVAYLMKHZDG-CCVNUDIWSA-N 413.521 6.391 30 40 HKEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1cccc2ccccc12 409078163 HEFIMTLMJHIXPW-UCQKPKSFSA-N 413.473 5.472 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(C)cc1 409115822 KXXRQWLTFJSMIR-UHFFFAOYSA-N 415.577 6.930 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1 409116952 MQYTYOIXXQVRKI-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC 409200823 JVJHETREPNEJEF-UDWIEESQSA-N 409.267 5.012 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)s1)Nc1ccccc1N2 720534 WLYQMEQPDCYZJN-IQMFZBJNSA-N 406.938 6.381 30 40 HKEB COc1ccc(Oc2cccc3c2C(=O)C(Cc2ccccn2)=C3c2ccccc2)cc1 1383482 IPDWGAGXUNFSKP-UHFFFAOYSA-N 419.480 6.123 30 40 HKEB C=C(C)Cn1c(SCCc2ccccc2)nc2ccc(Br)cc2c1=O 2234134 HMFAQERQYYXZAB-UHFFFAOYSA-N 415.356 5.070 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c2ccccc21 5376655 FVXJXRABTZLLCD-RQZCQDPDSA-N 401.413 5.089 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C#N)C1 5902629 PTGZQQONFAIFIZ-NSHDSACASA-N 407.366 6.330 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(OCc2ccccc2)cc1 6344288 ZUMVXGRJNVNUHY-DHRITJCHSA-N 415.371 5.639 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(C)c4O)c3)nc2c1 6554900 KCJXPGPSNSTMEJ-PJAVDKHJSA-N 418.924 7.426 30 40 HKEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1O 6694547 BNQHIUOACVXDJW-AUEPDCJTSA-N 410.792 5.387 30 40 HKEB Brc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 14407434 YXAATDATEZCITP-YDZHTSKRSA-N 421.298 5.350 30 40 HKEB CN(/N=C(\C=N\N(C)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 16188768 UNIASKASSFVAJL-GIHPTVFISA-N 421.342 5.412 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc23)C1=O 36093488 WHXYRHUKHGMFFF-WHEZCBNMSA-N 401.535 5.474 30 40 HKEB Brc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 59248187 IYIOXBJTUBUQKM-UDWIEESQSA-N 404.105 5.753 30 40 HKEB Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O 59567016 CASUHWFZIMPXGY-SXGWCWSVSA-N 402.306 5.675 30 40 HKEB O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 104327326 WDWOKLPKJKYMOH-VZCXRCSSSA-N 424.756 5.214 30 40 HKEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl 107936013 MBUFPXSJRXSFJD-UHFFFAOYSA-N 420.365 5.951 30 40 HKEB C=CCN1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)SC1=S 208469425 CBIBJHLCFSDWRJ-MFOYZWKCSA-N 404.988 5.359 30 40 HKEB C#CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12 226360465 NSCGCSPWBOKIGM-UHFFFAOYSA-N 416.274 5.608 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 408874581 CBVYKNAUQXRZJU-NVNXTCNLSA-N 408.266 5.102 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 409078099 GOVRXBPHPAOLJD-UQQQWYQISA-N 405.453 5.763 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 409199159 BKNJMWKMVULYNO-RWPZCVJISA-N 420.339 7.785 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409212181 NRHASCARSJYESA-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB CCOc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409289678 OHCSFPZTAKLGTQ-UHFFFAOYSA-N 409.445 5.091 30 40 HKEB Cc1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C 1060074 VKBRVOQNTMKLML-OGLMXYFKSA-N 420.516 5.238 30 40 HKEB CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc(Oc4ccccc4)cc3)c3cc(C)cc1c32 2355032 YINASHOGYDPQSI-COOPMVRXSA-N 408.501 6.450 30 40 HKEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C\c2ccco2)C1=O 4679076 RLCCBSSLCXOCLS-ZROIWOOFSA-N 410.278 5.130 30 40 HKEB N#Cc1c(S[C@H](C(=O)O)c2ccccc2)nc(-c2cccs2)c2c1CCCC2 6257998 XSPHEOPNDQFHPT-FQEVSTJZSA-N 406.532 5.479 30 40 HKEB CCCC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C1\CCCc2ccccc21 6309692 PDJACCDEOZZWQS-GDBNUEIYSA-N 409.986 6.160 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cc(C=O)c4ccccc43)c2C#N)C1 6323089 UJBUOSIVQPHCPI-MRXNPFEDSA-N 419.550 5.177 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 8934257 REBOQTZLPMXZAA-OEAKJJBVSA-N 416.462 5.957 30 40 HKEB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)NC1(C#N)CCCCC1 9491381 AVTOUMHKYGJORI-HNNXBMFYSA-N 422.579 5.182 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 12032535 UKQVLHCZHABJSZ-STZFKDTASA-N 420.921 5.811 30 40 HKEB C(=N/Nc1nc(-c2cccs2)cs1)\c1cn(Cc2ccccc2)c2ccccc12 12524694 VGKVBXAGAPANMR-ZMOGYAJESA-N 414.559 6.321 30 40 HKEB O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O)c1ccccc1 18126119 AMDDEZSSUXJEKF-WSDLNYQXSA-N 421.305 5.250 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 59427033 JSMLPIJXTISNGU-UCQKPKSFSA-N 415.562 5.911 30 40 HKEB CCCCCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 97952950 FSSKLBBBACXJFG-UHFFFAOYSA-N 401.598 7.967 30 40 HKEB CC(C)Oc1ccc(/C=C2/S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 102369549 HWRJSXIPIUUQDP-NZAUMMFVSA-N 411.571 5.236 30 40 HKEB O=C(O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 103851347 JAULBKNWXFXQCL-MONBMGCGSA-N 406.507 5.322 30 40 HKEB C=CC[N@+](C)(C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 245239857 GETBUQMZUFEKDG-RBJSKKJNSA-N 416.670 6.105 30 40 HKEB CC/N=C1/S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N1CC 408928445 BJAAQPSRZXDRPI-ASAQIREPSA-N 403.551 5.310 30 40 HKEB CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCC)cc3)OC2=O)cc1 409008705 ARWOMJYJRNOROP-NKFKGCMQSA-N 407.510 5.779 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl 409208153 BICNNBRWFDULKK-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC 821026 MYECQEXMYQWWPG-AFUMVMLFSA-N 405.885 5.506 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1-c1ccc(Br)cc1 1398721 ZJXOFDZNAQQZRN-UHFFFAOYSA-N 409.230 6.130 30 40 HKEB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2752439 GCWVGCXSJPMCSG-LBPRGKRZSA-N 402.947 5.685 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 3168723 ZJETZZLNQUGCON-MTDXEUNCSA-N 423.468 5.986 30 40 HKEB C=CCSC1=N[C@]2(C[C@@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)CC(C)(C)N1 4160193 OYESSJDMWWZZCH-UUOWRZLLSA-N 424.566 5.064 30 40 HKEB CCn1c2ccccc2c2cc(/C=N/Nc3cc(C)nc4cc5c(cc34)OCO5)ccc21 5392935 ZXPGMLVLRGBYBF-MZJWZYIUSA-N 422.488 5.846 30 40 HKEB N#CC1(C#N)[C@H](c2cccs2)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]21 8934628 KCHQYVGDMAWPGB-NJYVYQBISA-N 413.527 5.094 30 40 HKEB C=CCn1c(CCc2ccccc2)nnc1SCc1csc(-c2ccccc2)n1 13320098 HFKXTNDDLLSHHK-UHFFFAOYSA-N 418.591 5.665 30 40 HKEB Cc1ccc(/C=C2/CCC/C(=C/c3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 16958924 OLMOKVKLMNWDCR-KHFFFTKUSA-N 401.550 5.907 30 40 HKEB Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1Br 59104433 ZRTFMCNZSVFYRD-RGVLZGJSSA-N 411.137 6.603 30 40 HKEB C=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95707935 KSXRFZHNNOXBLE-UHFFFAOYSA-N 424.982 5.634 30 40 HKEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 97951929 SUZURIGXHXDMJE-QHCPKHFHSA-N 416.606 5.618 30 40 HKEB CCCCCCCSC1=Nc2sc3c(c2CN1Cc1ccccc1)CCCC3 98048244 OJUGWZQXJHDTLW-UHFFFAOYSA-N 412.668 7.334 30 40 HKEB COc1ccc(C2=C/C(=C3/C=CC(=O)c4c(C)oc(C)c4C3=O)c3ccccc3O2)cc1 101347519 KRRZQBQWFATUQG-QZQOTICOSA-N 424.452 5.728 30 40 HKEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1C 101650646 OHFWKIFTJRVQJF-TWMRLEJJSA-N 409.555 5.017 30 40 HKEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1 102501820 WCIGGWDFDRUAQL-NHFXJNLRSA-N 418.518 5.003 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927760 JDISBUOUHRAUBW-ZXDWHPMWSA-N 401.679 7.938 30 40 HKEB CN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 118930570 FLTRILBCYUFBEW-IGBCZVNUSA-N 405.582 5.509 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)cc1Cl 408737664 GDLDUXMISZCCHS-MTJSOVHGSA-N 421.953 5.948 30 40 HKEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c1C 408936246 OUUBMPBXKRVLPB-ZRGSRPPYSA-N 405.851 6.521 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(F)c(Cl)c1 409063375 AULVKKNNYVVVPD-JQAMDZJQSA-N 410.802 5.746 30 40 HKEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409064000 AYVDPIZACOMSGU-FDIDITGRSA-N 401.940 6.102 30 40 HKEB CCOc1ccc(Cl)cc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409100207 ULXZGMVFVDUFBM-OEAKJJBVSA-N 412.898 6.549 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409202413 QJUNTFYLVPHATB-VULFUBBASA-N 422.912 5.734 30 40 HKEB CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 409342741 HFCZWMOTXKLVLS-MTJSOVHGSA-N 401.491 5.159 30 40 HKEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 1099653 YDFDMVGYJHDRRT-UHFFFAOYSA-N 412.580 5.275 30 40 HKEB COc1ccc(CNc2sc3c(c2C#N)CCCCCCCCCC3)cc1OC 2246920 PBSLVDOMLHXVRT-UHFFFAOYSA-N 412.599 6.468 30 40 HKEB COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc12 2816570 NDYFPKNPQRLNAM-JVWAILMASA-N 408.526 7.184 30 40 HKEB COc1cc(OC)c(OC)cc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 4039988 MHWNMTWVHHVCKU-QGOAFFKASA-N 415.445 5.277 30 40 HKEB biogenic Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 9291599 ATICDZVDWLMMIJ-UVHMKAGCSA-N 424.533 5.607 30 40 HKEB COc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC(C)=O 9373264 GTXZELRUJKMHGH-ODCIPOBUSA-N 417.676 5.035 30 40 HKEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2cc(OCc3ccccc3Cl)ccc21 11868655 BZSFAUZDHWCZOY-NHDPSOOVSA-N 415.247 6.328 30 40 HKEB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 19847896 QNQIGDUCMVQYCZ-QKKBWIMNSA-N 413.564 5.123 30 40 HKEB C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 32100470 LQYXVHKVDTZQRG-FOCLMDBBSA-N 408.295 6.440 30 40 HKEB Cc1ccccc1[C@@H]1C(/C=N\Nc2ccccc2)=C(c2ccccc2)Oc2ccccc21 100720428 ITULBBUZRBTQIP-ASYBXRLASA-N 416.524 7.029 30 40 HKEB C=C1C(=C)[C@@H]2c3ccccc3[C@@H]1c1ccc3c(c12)C1c2ccccc2C3c2ccccc21 100815889 YIZNNYCSUZHZHF-FSOBKABBSA-N 406.528 7.377 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(F)c3)C(=O)N2Cc2cccs2)c(C)c1 105642750 UQBDJGMXCAOZGI-RRJMXWIWSA-N 422.550 6.308 30 40 HKEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)o1 107735041 QXWWGTZGRGTIGM-COTUQWOHSA-N 411.464 5.038 30 40 HKEB CC(=O)[C@@H]1[C@H]([C@@H](C#N)C(N)=S)C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 254836600 KKCSMFAZRNSRNN-UBDCPBPLSA-N 400.632 5.276 30 40 HKEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Cl)c1O 408906698 JRYLXLXGEYCWGY-HPJGCCTDSA-N 416.930 5.457 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2CC(C)C)cc1 408909360 CPXGQWVTYWMEKK-QDBPXTSOSA-N 419.377 6.562 30 40 HKEB Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(C(C)(C)C)cc1 408964223 CDFVCPVEXQUNND-MYYYXRDXSA-N 409.371 6.905 30 40 HKEB C=CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409093372 ZFTJEBGHWINYQM-UBXTYJAUSA-N 401.579 6.662 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(OCC)c1O 409132994 PXBUCJLERBIVOF-LTGZKZEYSA-N 423.534 5.189 30 40 HKEB CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1C(C)C 409214042 XDZMYOGUXNVKET-SLHJDRLVSA-N 420.987 6.173 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 2751455 WCFMSLCDPWQYFB-FOKLQQMPSA-N 411.230 5.853 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Cl)cc3Cl)ccc2o1 2756773 BUAKUDOPKIWAKU-ZLNXDXECSA-N 407.300 7.526 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 4615612 PNMQXSJFYRIGPZ-JVAKCPTJSA-N 406.529 6.286 30 40 HKEB C=CCN(C[C@@H](O)c1ccc(OCc2ccccc2)cc1)[C@H](C)CCc1ccccc1 6129522 KQFNCGWMLBAQJB-QDPGVEIFSA-N 415.577 5.808 30 40 HKEB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2 7363626 ASHIPURAFWJQDG-LLVKDONJSA-N 414.581 5.013 30 40 HKEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 13939684 YBMFNDXZLSXMPT-ZDLGFXPLSA-N 418.301 5.242 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 15226230 JOVXUTFDBDXDTC-VULFUBBASA-N 417.534 5.690 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(-c2ccccc2Cl)o1 28294217 IGMSOCCHKIDZBS-AUEPDCJTSA-N 409.751 5.973 30 40 HKEB Cc1ccc(/N=c2/scc(-c3cc4ccccc4o3)n2/N=C/c2ccncc2)cc1 89627214 RLADVGIRZRKFBL-PMCAAYOVSA-N 410.502 5.781 30 40 HKEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])O2 100944166 ZZURGLVLOGGSOR-WIXHRANISA-N 411.889 5.599 30 40 HKEB CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCCO 102129356 OVHKDRIZYJUXHT-UHFFFAOYSA-N 416.734 8.978 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102627767 SEHFFJURRWGCQS-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB Cc1nc(C(F)(F)F)ccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 103120840 FSQGQORDNDJOKE-RKDXNWHRSA-N 422.291 5.048 30 40 HKEB Cc1ccc(-c2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1Cl 254308505 KXSKMJFGGQAUHM-UHFFFAOYSA-N 405.885 5.457 30 40 HKEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408626123 ZXQCTOBDCDXVMS-GXDHUFHOSA-N 403.434 5.469 30 40 HKEB CCn1c(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc2ccccc21 408692843 WRNPKGFVKHXPCO-MFKUBSTISA-N 404.901 5.735 30 40 HKEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2O)S/C(=N\c2ccccc2)N1c1ccccc1 408721247 NMJHDMSNBNFJMB-OFPPLWLTSA-N 417.446 5.109 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OC(C)C 408910251 JDIDXOUXRDVAGU-NFEGURHZSA-N 410.539 5.495 30 40 HKEB O=C1C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)c2ccccc21 408913191 UBQRWPUIJIXAHK-UHFFFAOYSA-N 409.268 6.035 30 40 HKEB Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 408915026 TXZASFMNGXCEKK-UHFFFAOYSA-N 411.888 6.114 30 40 HKEB COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 408964373 RCAZRBVMHAWNJF-HYARGMPZSA-N 417.534 5.303 30 40 HKEB C=C(C)CSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 1242211 PBKMGRNXMYCUOM-UHFFFAOYSA-N 409.584 5.558 30 40 HKEB CCN(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)C1CCCCC1 4863551 NKNXKKZLDLNQQI-UHFFFAOYSA-N 422.550 5.047 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@@H]2c1c[nH]c2ccccc12 5190817 GUQBYCPGJVOXRW-JOCHJYFZSA-N 401.466 5.088 30 40 HKEB CC(C)CCSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 5305540 DPTMAIQSSMBAFA-UHFFFAOYSA-N 421.570 5.334 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 6160891 UYZXFAHVSACWIZ-DEOSSOPVSA-N 411.501 5.124 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21 8781182 CLWXLWXIKDFAQX-CCDWMCETSA-N 419.459 5.110 30 40 HKEB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3sccc3C#N)[C@@H]2c2cccs2)cc1 9245651 LLMUQFQNDADQHN-YLJYHZDGSA-N 421.547 5.113 30 40 HKEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cccc(OC)c2o1 9327839 ZSELOGCKSICGFW-UHFFFAOYSA-N 422.466 5.086 30 40 HKEB Cc1ccccc1Cn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 10119160 BFJIKRFVFAKYPT-LQKURTRISA-N 401.941 6.084 30 40 HKEB CC(C)(C)c1ccc(Cn2c(/N=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 12523877 UACUFFHRSFYDOK-WGOQTCKBSA-N 412.493 6.041 30 40 HKEB COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 13756698 ZWVFRNPCQKRFEF-DHRITJCHSA-N 423.303 6.058 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1 18116656 DCJYMHYTRCAPJR-MHZLTWQESA-N 408.545 6.503 30 40 HKEB C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 100069872 WMZHDICSCDKPFS-UHFFFAOYSA-N 420.810 11.725 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 100384402 YNTYCHDMXLFCSB-DHRITJCHSA-N 416.304 6.340 30 40 HKEB CN(C)c1ccc(/C=C/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 100912834 LEMFHMNRAUBWRZ-UILIMSKGSA-N 417.512 6.967 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 104123206 MKOJDDUNMDQJGY-MRJHHRETSA-N 403.865 5.275 30 40 HKEB Cc1cc(/C=N/C2=C[C@@H]3C(=O)c4ccccc4C(=O)[C@@H]3C=C2)c(C)n1C1CCCCC1 408739947 GXLJGIMFICMIFN-SHGVGAEPSA-N 412.533 5.794 30 40 HKEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(OC)ccc3ccccc23)S1 408852119 IKLDVSBPFYDKKD-NDENLUEZSA-N 424.909 5.402 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408908619 ATHFSUVTZCRGSL-HPJGCCTDSA-N 416.930 5.377 30 40 HKEB C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(OCc2ccc3ccccc3c2)cc1 408930706 AZDKAWDCRCIEMY-ZTKZIYFRSA-N 422.528 6.006 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 409202258 QGMBBVKBQXUZJV-JFLMPSFJSA-N 407.941 6.994 30 40 HKEB O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1Cl)c1ccc(Cl)cc1 409215355 ZNUGZDMQNCMIIO-LPYMAVHISA-N 406.290 5.512 30 40 HKEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 978821 LHSBYMWYOATDIQ-DHRITJCHSA-N 419.437 5.405 30 40 HKEB N#Cc1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCCCC2 2190707 AIFOWXOCGXSATK-UHFFFAOYSA-N 403.960 5.059 30 40 HKEB C=C(C)CSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2 2230129 NNXNNRAMHXDNLD-UHFFFAOYSA-N 406.595 5.913 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1Cl 2347354 NRFVPIODPPKVMR-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 2895359 FWQNXAJHYIGMBZ-XNTDXEJSSA-N 406.290 5.147 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc(F)c1 5376970 GOIDGHIFWCBUAJ-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB Cc1cc(C)cc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(Br)cc2)c1 8008226 VUVYJXPVPQXYJF-AWEZNQCLSA-N 413.344 5.318 30 40 HKEB COc1ccc(Nc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 8614959 QXKYXPPWLHOINT-UHFFFAOYSA-N 401.422 5.446 30 40 HKEB N#C[C@@H](c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8665033 QPWWAOMXYPIDOY-LBPRGKRZSA-N 415.724 5.976 30 40 HKEB CC1[C@@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@H]12 13739015 SOTMWCFQLUSXKP-PVISZZJUSA-N 415.503 6.062 30 40 HKEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(O)ccc3ccccc23)cc1 16923187 GHOIBIHUGLCMII-XYGWBWBKSA-N 416.502 5.405 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 17093477 UYBMCKFDDZONEQ-OLZOCXBDSA-N 423.321 5.423 30 40 HKEB CCCCCCc1cc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O 21487040 QISSZUNXYNUSEQ-BUVRLJJBSA-N 423.469 5.366 30 40 HKEB Clc1ccc2nc(-c3ccc(/N=C/c4ccccc4)cc3)cc(-c3ccccc3)c2c1 32906120 QRRNRYLUUDMXKS-NDZAJKAJSA-N 418.927 7.973 30 40 HKEB COc1c2c(cc3c1[C@@H](CC(/C=C/C(C)(C)CC=C(C)C)=N/O)N(C)CC3)OCO2 34871335 CQQAESOLIQHLRS-ZAKZVVJWSA-N 414.546 5.112 30 40 HKEB biogenic C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 40433779 OFHCOWSQAMBJIW-UUSUJTSBSA-N 400.647 6.590 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C 59104362 ZNDCCASBGQSHFN-FSJBWODESA-N 401.735 6.569 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1 100249850 FETQNEZKQDKXTM-UHFFFAOYSA-N 414.546 6.400 30 40 HKEB c1ccc(CC(=N/Nc2ccccc2)/C(Cc2ccccc2)=N/Nc2ccccc2)cc1 100369435 KIVQHQYEIKVWGY-GYNJYFOTSA-N 418.544 6.408 30 40 HKEB C=CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/C1CCCCC1 103371509 AEASAWHUASHNJG-MYVXQKSKSA-N 410.406 5.542 30 40 HKEB C=C1C[C@H]2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 118931433 OPLUXFIQJCETJD-QIVCSNKZSA-N 400.691 7.635 30 40 HKEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964651 DAURBJXYVXREOJ-XYGWBWBKSA-N 404.583 5.712 30 40 HKEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2NC(C)=O)cc1 409117963 RUOZTUMWTLRQHX-UCQKPKSFSA-N 421.478 5.464 30 40 HKEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 409199479 DACGEIPZJVGQOP-JFLMPSFJSA-N 411.904 6.770 30 40 HKEB C/C(=C\N1CCCC[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1681144 MQHJWPXWEQBQHC-BPHJTUDHSA-N 409.658 6.913 30 40 HKEB Cc1sc2ncn3nc(-c4cccc(COc5ccc(C#N)cc5)c4)nc3c2c1C 2790933 AJRFBTLVWRPALJ-UHFFFAOYSA-N 411.490 5.074 30 40 HKEB O=S(=O)(Nc1cccc(/C(O)=N/CCC2=CCCCC2)c1)c1ccc(Cl)cc1 2938449 VJUFXXDYNXRAAY-UHFFFAOYSA-N 418.946 5.336 30 40 HKEB Fc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 3117083 YBIXVBMZCONFBF-STBIYBPSSA-N 422.459 6.964 30 40 HKEB Cc1ccc(-c2csc(N/N=C/c3ccc(N(C)C)c(Br)c3)n2)cc1 4561901 SERYKCLHWDWLJZ-SRZZPIQSSA-N 415.360 5.393 30 40 HKEB C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 4691577 BKIMVTXDZWSTEJ-UHFFFAOYSA-N 408.527 5.629 30 40 HKEB COc1ccc(OC)c(/C=C2\S/C(=N/c3cc(Cl)cc(Cl)c3)N=C2O)c1 6641982 YGRURPWHCHGFES-SOFYXZRVSA-N 409.294 5.743 30 40 HKEB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)Oc1ccc(C#N)cc1 7780280 OQXSQYODJRUIKG-ZHACJKMWSA-N 412.276 5.037 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 8570831 WBMREFZOJIZNQO-DHRITJCHSA-N 400.305 6.640 30 40 HKEB CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)cc1 9111443 GWKQAFMPKNXEIM-WGOQTCKBSA-N 423.545 5.862 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(Cl)cc2)cc1 12348051 JYSQLDWFRJIBJK-QFIPXVFZSA-N 403.913 5.707 30 40 HKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc(C)c1CC 13325937 GVYMHFIZMLCVRC-UHFFFAOYSA-N 407.967 6.148 30 40 HKEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 19535859 UGMVPJVUDRWHQJ-NRFANRHFSA-N 413.945 5.430 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 100138406 UMECPMNIUKOQJT-QMSJJHEMSA-N 420.534 5.660 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 100730851 PXKXUBYATLLJIS-UMFSSWHCSA-N 424.690 5.978 30 40 HKEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225766050 HCSCHYDUELRARC-KRWDZBQOSA-N 410.945 6.230 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C(C)C)cc1 408916840 ZSOKVVKFBSOZMW-BPRJVQAXSA-N 405.350 6.314 30 40 HKEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C(=O)N1C 408929873 PDBLQFZVZUJANE-MDRWVBAWSA-N 421.349 5.413 30 40 HKEB CCCCCCCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408976548 SBLBGGLSEIETLL-UHFFFAOYSA-N 405.571 5.911 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 409210980 MKXBROAVGXJYFW-VULFUBBASA-N 414.332 7.030 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 409241210 JLKIQWDAGDMDNI-HMAPJEAMSA-N 421.566 5.194 30 40 HKEB CCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C 2062965 KKJGRPLXGVOBBJ-UHFFFAOYSA-N 406.526 5.251 30 40 HKEB Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1Cl 4107760 JRYYPOYVPOZIJZ-HSHHTGOPSA-N 401.944 5.252 30 40 HKEB CC(=O)[C@@H](C)Sc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N 4450384 ZYBBCAPBHXHMLZ-JSFDKUKPSA-N 408.489 5.509 30 40 HKEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 4956224 LKQYULGPIDNFCE-FTTRISJGSA-N 401.535 5.392 30 40 HKEB Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2 5504833 NFJCTVMOXMENIW-DEOSSOPVSA-N 411.549 6.178 30 40 HKEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(SC)cc2)ccc1O 5608016 RDPKDSMZEWXERV-BUVRLJJBSA-N 403.507 5.578 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1C1CCCCC1 6313076 UOAGNWLPTNOKNP-UHFFFAOYSA-N 406.555 5.396 30 40 HKEB O=C(/C=C/c1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6476697 PSDWFJLIHYMWOZ-SAPNQHFASA-N 419.546 5.301 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] 8559413 MIZQTMHBGVLQGW-FATZIPQQSA-N 414.465 5.035 30 40 HKEB CCCCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 8690261 MHCYRRKTMDEKHO-NOZRDPDXSA-N 411.545 6.071 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 8820731 HGCCSZDLAFUGGD-NVNXTCNLSA-N 412.820 5.259 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1c(Cl)cccc1Cl 8857396 DNVJSIFKDVEPHS-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB C=CCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1-c1ccoc1C 8935781 ICHVMFDEMNWWOO-UHFFFAOYSA-N 424.551 5.457 30 40 HKEB O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 16739615 YHGLDNGIKVHRHT-KFHWJWAOSA-N 420.921 5.749 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C#N)C1 17093418 LSTPQTIKLXFMCJ-CQSZACIVSA-N 422.981 6.830 30 40 HKEB O=C(O)c1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 17150165 VPTHCXJRSMEIHA-OYKKKHCWSA-N 410.539 5.138 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 18121918 JBHBVPKOVZUIHF-ZBLYBZFDSA-N 408.501 5.607 30 40 HKEB CCCCCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)c(Cl)c32)cc1 46084701 MPWAHUDCINAVOJ-NKFKGCMQSA-N 407.297 5.288 30 40 HKEB COc1ccc(/N=C2/C(=O)N3c4c2cccc4[C@](C)(c2ccccc2)CC3(C)C)cc1 100117605 HBVAGNDQLFFJLE-ORTFSBGYSA-N 410.517 5.651 30 40 HKEB COc1cc(Br)ccc1/N=C/c1cc(Br)cc(Cl)c1O 102423462 ZLPNGONMNQOIGP-CNHKJKLMSA-N 419.500 5.330 30 40 HKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc4[nH]c5ccccc5c4c3)C2=O)s1 136605816 UHRQLQNPXIKOCP-KLCTXMKJSA-N 404.520 5.153 30 40 HKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 225752671 MNXFEONIOBOEDY-UHFFFAOYSA-N 417.336 6.104 30 40 HKEB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 408626918 JJZKHZDZXUHRLK-UHFFFAOYSA-N 405.816 5.720 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408777738 HOFWFNSJOHCBCH-FSJBWODESA-N 401.735 6.569 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408901481 FUAKAQUFYMPKCJ-SFQUDFHCSA-N 417.939 5.319 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1)c1ccccc1O 408974228 DMKZEDORLAIOTC-OVVQPSECSA-N 413.546 6.636 30 40 HKEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@@H](C)CC 409101675 XDAGEBMJIBWERG-LUKCILAXSA-N 415.843 5.776 30 40 HKEB CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 409184441 LGCFKYLCOBNERC-OVVQPSECSA-N 418.537 6.200 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409208454 CDYZODGVKCTEIG-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Clc1ccccc1COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 409212797 RGVFGPMCLTXDEK-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB CCOC(=O)c1c(/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)sc2c1CCCC2 409220213 ZKAOGXDASMLFGQ-CFRMEGHHSA-N 423.490 5.512 30 40 HKEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(C)n(-c3ccncc3)c2C)S1 409250164 MMDGHWKSRZMKCP-UDWIEESQSA-N 422.941 5.343 30 40 HKEB Cc1ccsc1C=Nn1c(-c2cc3cc(Cl)ccc3o2)nc2ccccc2c1=O 409277971 CIRPXSBVARXGQD-UHFFFAOYSA-N 419.893 5.715 30 40 HKEB CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 729498 HJGXXOOEOVECKM-SIBVEZHUSA-N 414.574 6.851 30 40 HKEB Fc1cc(Br)ccc1CO/N=C/c1ccc(OCc2ccccc2)cc1 3328889 KYVVIXIDBVWIFD-ZMOGYAJESA-N 414.274 5.718 30 40 HKEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 4595217 IXZWEOLBIADXFI-PCLIKHOPSA-N 409.942 5.630 30 40 HKEB Cc1c(Cc2ccccc2Cl)c(N2CCCC2)n2c(nc3ccccc32)c1C#N 5454172 KNYCDPSHRUYORP-UHFFFAOYSA-N 400.913 5.512 30 40 HKEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 5529745 OKLHEIUDYBQWMT-JCMHNJIXSA-N 416.502 5.166 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 8740889 IUAVOELSAKUTQH-QHCPKHFHSA-N 412.489 5.296 30 40 HKEB COc1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(OC)cc2)cc1 17352834 CAZWIUFQHGHKHJ-QAVVBOBSSA-N 420.512 6.646 30 40 HKEB Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1 19841538 BGOIWCIACQPEOX-UHFFFAOYSA-N 409.942 5.684 30 40 HKEB Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc(C)c1O 33397700 OVPWIBFDOKLJQH-PSYZWBJOSA-N 412.599 5.947 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1CC 59104325 GAGQEXXCQDMMJQ-JTUXUYRKSA-N 416.546 5.731 30 40 HKEB COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c1OC 103710605 SISPRYGWTWLVGT-BRNMAAFJSA-N 408.523 5.250 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1 249975588 CIGMEMIYIUIATC-UHFFFAOYSA-N 420.650 5.717 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1O 409085707 ZRUAVWCJRZUXKA-ICXMQADFSA-N 413.499 5.144 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409112244 BLDDLLOAXHJWJK-UHFFFAOYSA-N 418.493 5.831 30 40 HKEB COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409208539 CFMDXUXTMAIAMJ-VULFUBBASA-N 422.912 5.734 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409216755 OFTPKXSYNNOOOP-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 677288 ORHCQWJDDKRNLS-DEOSSOPVSA-N 423.553 5.318 30 40 HKEB Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 3113716 GUSXKFZYGABWSG-BHGWPJFGSA-N 401.680 7.206 30 40 HKEB C(=N/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(OCc2ccccc2)cc1 3117121 AXQVHAVZKDANMC-MTDXEUNCSA-N 404.469 6.824 30 40 HKEB CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C 4178702 HYWJWQQIDDGRNG-AVZQPWJSSA-N 404.558 5.248 30 40 HKEB O=C(Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1cccc(Cl)c1 4548980 QBJSCLJFEGINJZ-CVKSISIWSA-N 400.865 6.202 30 40 HKEB O/N=C(Nc1cc(Cl)ccc1Cl)/C(=N/O)Nc1cc(Cl)ccc1Cl 4852058 BHKSLVDIUQCUGQ-UHFFFAOYSA-N 408.072 5.400 30 40 HKEB CCCCCCCCOC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2O)c1 8386248 KAQZIVOKGOZUBE-UHFFFAOYSA-N 419.521 6.315 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c2ccccc21 20663793 FPBPGGZZOOJIHH-BUVRLJJBSA-N 416.521 5.359 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1C 35646546 KJXDXYGTYBNZKF-NDENLUEZSA-N 419.462 5.363 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl 35647488 SWNZYECECPXGOU-LHHJGKSTSA-N 418.132 6.192 30 40 HKEB O=[N+]([O-])c1ccc(/N=N/C(=N/Nc2nc3ccccc3s2)c2ccccc2)cc1 39404124 URAMBQYVTBQFST-UGXHBQBLSA-N 402.439 5.762 30 40 HKEB CCCCCCCCCCCCCCCCCCOCCOCCOCCO 103645994 KPRFGGDCSHOVQB-UHFFFAOYSA-N 402.660 6.290 30 40 HKEB in-vitro CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922832 YIKKMWSQVKJCOP-FQQNGPRWSA-N 400.647 6.568 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3O)c3ccccc32)c1 408541831 GCHKNVHJQGNDHC-ZMFRSBBQSA-N 418.880 5.586 30 40 HKEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1Cl 408588671 CFUDXQOHLOOVAN-FOKLQQMPSA-N 418.280 5.860 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(C)cc1 408594610 UHPBPPAMDKOHCZ-MZJWZYIUSA-N 420.896 5.658 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408948286 RAWMDKZHPDMMTL-BHGWPJFGSA-N 401.293 6.158 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409053956 FBASEUHQEQSPLS-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)cc1 409075730 ZTPGLUFJSZDMTE-ZSICUCBDSA-N 424.522 5.188 30 40 HKEB C=CCn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 3047479 AQVZXCXDHQKQNK-UHFFFAOYSA-N 400.522 6.835 30 40 HKEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 5173590 JOLZQRDQYPKRJO-MHWRWJLKSA-N 417.292 5.373 30 40 HKEB O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccccc1OCc1ccccc1 5279101 ABIMGBXCLCEBTA-HNENSFHCSA-N 414.504 7.468 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 5604597 DCNRSHSJKFLASL-MFKUBSTISA-N 409.401 6.414 30 40 HKEB CN(C)c1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 6187402 AHCKPFOUVKAGBF-WSDLNYQXSA-N 409.287 5.173 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 8811683 NTOCPVGKEJLHGL-ZMOGYAJESA-N 416.750 5.634 30 40 HKEB Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc12 9317710 SDHLMTFDDHSNAT-UHFFFAOYSA-N 418.909 5.372 30 40 HKEB CCOc1ccccc1NC(=O)c1c(/N=C/c2cccs2)sc2c1CCCCC2 9907648 BVAPOZRVXKBNLJ-BUVRLJJBSA-N 424.591 6.480 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 59418033 OYRAMBAPKLKPDQ-KGENOOAVSA-N 404.466 5.296 30 40 HKEB Cc1cc(C)c(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c(C)c1 68766809 CUUUQENUBOXXKP-FDHBPBSMSA-N 423.582 5.325 30 40 HKEB CCCCCCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@@H]12 70665488 GXCLTLUTGZEMKG-YIXXDRMTSA-N 412.662 7.899 30 40 HKEB biogenic CC(C)(C)C1=CC(=O)C(P(=O)(Oc2ccccc2)Oc2ccccc2)=C(O)C1=O 98006308 JKOHGQJUYPBERO-UHFFFAOYSA-N 412.378 5.231 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccccc1 409115579 JPKMMTFMQCHCEC-UHFFFAOYSA-N 401.550 6.567 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OCC)c1O 409123875 IMOAZIMOZJYUJO-CPNJWEJPSA-N 401.528 5.136 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 409135566 RGVCJNMWZRQHDB-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)O 409211932 PGHVAAUYPIBSSU-WPWMEQJKSA-N 410.473 6.335 30 40 HKEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccccc1Cl 409213753 QREJYPTZWQNDNN-SCTUZPNZSA-N 415.990 5.837 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(C)c2)cc1OC 409380423 MVCUIYLXXRKTKM-XIJPWPHISA-N 410.739 6.347 30 40 HKEB N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 609460618 XMLBEQJTXANZHH-VBQJREDUSA-N 413.226 5.497 30 40 HKEB C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O 4474661 FCKJYANJHNLEEP-CQBBTHHPSA-N 416.646 5.705 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 4697153 ZQPBSOJDEZEMCA-NTUHNPAUSA-N 408.881 5.832 30 40 HKEB COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O 6560467 RCJGRGBNECZUTP-AATRIKPKSA-N 401.178 5.078 30 40 HKEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(Cl)c1 7343441 KIFFWHMJGQPDMS-WYMPLXKRSA-N 412.324 5.734 30 40 HKEB CC(=N\OC(=O)Nc1ccc(Cl)cc1)/C(C)=N/OC(=O)Nc1ccc(Cl)cc1 16137248 TYVJWSNMCWNNRK-ASIDMNOUSA-N 423.256 5.542 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCc1ccccc1Cl 16730619 PHCWKZYCELZKJI-UHFFFAOYSA-N 422.834 6.724 30 40 HKEB Cc1ccccc1/N=C1\N=C(S)N(c2ccc(Cl)cc2)[C@]12CCOC(C)(C)C2 18167565 HWQDFPNQWKRRGN-QFIPXVFZSA-N 413.974 5.812 30 40 HKEB CCCCCCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N 100934071 NMDYWBQTTSLPPK-UHFFFAOYSA-N 424.680 5.171 30 40 HKEB COC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)CCCCC1 118926392 AGGYYWICUTUTCC-AIVCMVMSSA-N 400.603 6.066 30 40 HKEB CCCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408530118 KTDVYLRWIJBISA-BOPFTXTBSA-N 407.322 5.674 30 40 HKEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C 408560470 IYBDZLKDEATHRK-UHFFFAOYSA-N 415.390 5.366 30 40 HKEB CC(C)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408722307 GVDFXCXUFCGORH-JVWAILMASA-N 416.977 8.005 30 40 HKEB CSC1=N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1c1ccccc1 408732067 RLYPDCNTIURIGL-IBGZPJMESA-N 415.356 5.592 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OC)ccc4ccccc34)S2)cc1 408741992 OSRJRDALGKPBNY-KGENOOAVSA-N 404.491 5.139 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 408941722 PMUVESOKESNSIM-NMVMYQKISA-N 404.513 6.276 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1C 408968793 ZEPGZIHLIPMMCS-ZYITZIQLSA-N 415.562 5.890 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(O)c(Br)c3)c2C#N)C1 409092614 VRBBXCIKCDMCLZ-HKNSOBRKSA-N 417.372 5.989 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 409201398 MRYHLMUTUNLJGA-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409203645 ZRMRUHFYMWAPLC-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O)C[C@H]1O 521205730 HKXBNHCUPKIYDM-ZRUNBDNZSA-N 412.658 6.612 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 2124299 KJRKWYATUZJVOU-WCYRKSIYSA-N 408.501 5.196 30 40 HKEB biogenic Cc1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c(O)c(Br)c1C 3087381 NALNBUABNXMGDT-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 3188508 LMGGOMGJLFZAEI-MWAVMZGNSA-N 413.524 6.825 30 40 HKEB CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 4151012 UFWDHOXDNJUOQZ-SKCUWOTOSA-N 408.545 6.537 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O 4756490 JAWIFCQKZPUAIJ-YDZHTSKRSA-N 403.394 5.258 30 40 HKEB N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 5264910 GYFUKYRQPDIRKW-UHFFFAOYSA-N 404.882 5.063 30 40 HKEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 6396833 OVOFGTVTVVAHKF-WPWMEQJKSA-N 420.940 6.516 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc(Cl)cc1 8821140 VCJPQEKQGMISAM-AUWJEWJLSA-N 417.239 5.904 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N2C(=O)c4ccccc4[C@H]32)cc1 18105825 CYVRRLJXBWTENM-HFJWLAOPSA-N 406.485 5.523 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20649183 NBUYXHFTCHLAQI-IWIPYMOSSA-N 418.537 5.892 30 40 HKEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085695 HLWQEATZFLUUHA-UHFFFAOYSA-N 413.930 5.129 30 40 HKEB Clc1ccc(-c2csc(N/N=C/c3c(Cl)cccc3Cl)n2)c(Cl)c1 59193704 JYBSAPAALLCTJP-QPSGOUHRSA-N 417.148 6.870 30 40 HKEB CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCC 62238181 KENDAPSPCLAHAG-UHFFFAOYSA-N 424.798 10.530 30 40 HKEB endogenous,in-man CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 100417683 PGUFJVHWCUDSEB-FQEVSTJZSA-N 401.531 5.346 30 40 HKEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102401886 FSWJSXSJGOQEOW-HOGKFDNTSA-N 401.462 5.025 30 40 HKEB CCCCCCCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(C)s1 105042273 HRDFDDRJUCERSE-XIEYBQDHSA-N 407.583 6.914 30 40 HKEB CCCCCCCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccccc21 136271412 XMWYGDZRSNZHQB-UHFFFAOYSA-N 422.525 5.329 30 40 HKEB CCOc1cccc(/C=C/C(=O)c2c(C)nc3cc(C)ccc3c2-c2ccccc2)c1 226818141 YQBDQXJIYUTFGZ-JQIJEIRASA-N 407.513 6.813 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253528866 VIELWYIXEODCTJ-OPGRQVCOSA-N 405.626 6.748 30 40 HKEB C=C(C)[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)CC 263599044 IMWBKGMKWXIXEQ-KCPLWMBESA-N 410.686 7.721 30 40 HKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(I)cc2C)C1 408563146 IXZPXNIWSHVOFZ-ZQHYZAEZSA-N 411.327 5.701 30 40 HKEB COc1ccc(-c2nc(/N=C/c3cccc(OC)c3O)sc2-c2ccccc2)cc1 408723475 VPYCZWWPGPPCDF-MFKUBSTISA-N 416.502 5.951 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2CC(C)C)cc1 408916338 WMFZMHBHAHHIHH-WTUADNJESA-N 402.922 6.048 30 40 HKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Sc2ncccn2)sc2c1CCCC2 409096062 JJTYPSRAYLFLPO-WYMPLXKRSA-N 421.507 5.099 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 409200712 JVWILOXQXCEXFC-VULFUBBASA-N 413.876 6.216 30 40 HKEB CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409202952 VKRHNMAVQVDUII-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB CCc1ccc(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)cc1 409216086 HWQIDUVYEFZWCC-OGLMXYFKSA-N 409.485 6.430 30 40 HKEB CC(C)c1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409291037 WCGDSURFCKAJPA-UHFFFAOYSA-N 412.331 5.288 30 40 HKEB CC(C)(C)c1ccc(Cn2c(/N=C/c3ccc4c(c3)OCO4)nc3ccccc32)cc1 972605 FVWWRMMCTSNTSY-JFLMPSFJSA-N 411.505 5.861 30 40 HKEB Oc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(O)c4O)cc3)cc2)c1O 1227118 DBBMIDUMZZIYEM-DPCVLPDWSA-N 424.456 5.677 30 40 HKEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)cc2)cc1 1389886 MZZHSRKYPOZOSH-UHFFFAOYSA-N 408.889 5.331 30 40 HKEB CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 1818538 ASHWHCJUBVGCLN-JOCHJYFZSA-N 423.563 5.136 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742247 HIAOAWDYAPFKTL-ZHRRBRCNSA-N 418.587 6.217 30 40 HKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)c3)nc2c1 3191026 JRUMNGBXEHIBPW-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB Cc1cccc(C)c1NC(=O)c1c(/N=C/c2ccccc2)sc2c1CC[C@@H](C)C2 4554199 IAGRSTSUEVPBRR-KSXCTLEASA-N 402.563 6.493 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1OC 4700449 WDAZRVISYVLNSI-ZHZULCJRSA-N 411.548 5.228 30 40 HKEB Clc1cccc(/C=N/N=c2/sc3ccccc3n2Cc2ccccc2)c1Cl 4703543 OJDRSCXQDJCNSE-QWQJTBJWSA-N 412.345 5.993 30 40 HKEB O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5277824 PGHCKIMIZSPXQA-NTEUORMPSA-N 407.809 5.364 30 40 HKEB biogenic,in-vitro CCCCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 6203390 MULUESNBZQXKCJ-UHFFFAOYSA-N 407.554 5.689 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 8277936 AVTWXMWSLVQQKP-DHRITJCHSA-N 400.305 6.640 30 40 HKEB CCCCCCCCCCCCCCCC[n+]1cccc(C(=O)N(CC)CC)c1 8691079 HPBFEAUPKBNRCI-UHFFFAOYSA-N 403.675 6.937 30 40 HKEB COC(=O)CSc1nc2c(c(-c3ccsc3)c1C#N)CC/C2=C\c1ccccc1 9434270 MHEQGAVLXWPTGB-LFIBNONCSA-N 418.543 5.434 30 40 HKEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12676498 PIFJVKRSNBKDTQ-IBGZPJMESA-N 423.541 5.855 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)COc3cc(C)cc(C)c3)c(C)c2s1 72228799 CLKVMPRBWFHLTI-QQXSKIMKSA-N 424.570 5.745 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 98001525 LPQJGZUCZPVKNS-UHFFFAOYSA-N 400.950 6.672 30 40 HKEB biogenic CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 98001527 QWJPCSQWLNMURX-UHFFFAOYSA-N 410.558 6.417 30 40 HKEB Cc1ccc(/N=N/c2ccc(O)c(/C=N/Nc3nc4ccccc4s3)c2)cc1C 408725143 CZPWPOMBOBLCED-VKDWVBNMSA-N 401.495 6.480 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 408932520 CWMBBMLHNJUXPL-CVKSISIWSA-N 418.493 5.116 30 40 HKEB C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408944738 UVXWPCWZPSDNBZ-XKCZMGTLSA-N 406.529 6.829 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)c(Cl)c1 409101567 YJFDWMFDZNBUMC-NUGSKGIGSA-N 410.739 5.368 30 40 HKEB CCc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 409157869 WQGMVHYCLZEPNJ-ASAQIREPSA-N 403.551 6.018 30 40 HKEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O 409250073 VYLRICAIJJKHES-HMAPJEAMSA-N 421.566 5.194 30 40 HKEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 878294 KGIQJXFNNZAALO-QHCPKHFHSA-N 418.512 5.377 30 40 HKEB OC1(CC#CC[N+]2(Cc3ccccc3)CCCCC2)c2ccccc2-c2ccccc21 2292265 LIMDWTHBECWETM-UHFFFAOYSA-N 408.565 5.497 30 40 HKEB Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C(C)C)cc1Cl 2301999 KWMMVFHWYRMYND-UHFFFAOYSA-N 416.974 5.991 30 40 HKEB Cc1ccccc1N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 4923174 UMJIAZAVNKIZDH-WGOQTCKBSA-N 410.477 5.065 30 40 HKEB Cc1ccc([C@@H]2C(/C=N/c3ccccc3)=C(c3ccccc3)Oc3ccccc32)cc1 5546361 ILLPJCYLDRPTLD-LUJVFJMUSA-N 401.509 7.333 30 40 HKEB CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2cccc(OC)c2)c2c(C)oc(C)c21 6783943 PKVYANCZZCQKTD-UHFFFAOYSA-N 415.489 5.741 30 40 HKEB Cc1ccc(-c2oc(NC(=O)c3ccccc3F)c(C#N)c2-c2ccc(C)cc2)cc1 7986526 VLFMDGGZFIHUPJ-UHFFFAOYSA-N 410.448 6.494 30 40 HKEB CCCCCCCCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N 8405212 YFHDVOIXGTUNMD-UHFFFAOYSA-N 414.618 8.048 30 40 HKEB O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 9481874 KNLRFWTXBXOGPU-NSYGIPOTSA-N 418.899 6.459 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3ccc(F)cc3)sc3c2CCC3)c(OC)c1 9805451 MJSDYIYILZUEGN-DHRITJCHSA-N 424.497 5.396 30 40 HKEB CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/c3ccccc3)ccc12 9943155 DCWSFKITBIKIQG-SSDVNMTOSA-N 400.887 5.440 30 40 HKEB Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 10187696 WOMMTRUYCGOIKT-UHFFFAOYSA-N 418.909 5.372 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 12652565 GUHOJWMKULSAET-LMHMIWLSSA-N 418.577 6.300 30 40 HKEB O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc2ccccc12 13590109 KGTZPGQQVINWBU-SFHVURJKSA-N 411.324 5.064 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(OC)c1 33347525 JOQJOZDECZXVIT-YWROOUKNSA-N 422.550 5.641 30 40 HKEB CC(C)C[C@@]1(C(=O)Nc2ccccc2)O[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1 65734418 WTTRRISNQAPVTN-UIOOFZCWSA-N 417.480 5.358 30 40 HKEB in-vitro C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O 95908700 KJKIIUAXZGLUND-NZMMWSKFSA-N 412.658 6.756 30 40 HKEB CCCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 97998499 XOSCLTFUTUCSTL-UHFFFAOYSA-N 416.525 5.673 30 40 HKEB CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2F)c1O 100222693 QNUKUHLAZZZOMC-UVHMKAGCSA-N 419.374 6.492 30 40 HKEB O=C(/C=C1\Nc2ccccc2N\C1=C/C(=O)c1ccc(Cl)cc1)c1ccccc1 100395400 JSMVDVTYZMVRBO-HHQODBOJSA-N 400.865 5.711 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/[C@@H](C)c1ccccc1 101379238 LYTJHUIMVBMYJT-QTUPEUCQSA-N 409.580 5.500 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 198074667 IHEYKHXHRYFGBB-AZFHEMCLSA-N 414.549 6.960 30 40 HKEB O=C(/C=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 408623820 SFYGLOILONCMJK-ACCUITESSA-N 406.312 6.893 30 40 HKEB O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 408733261 WSNLSAPTVOCUBJ-AWQFTUOYSA-N 406.181 5.820 30 40 HKEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc(C)c1Br 408756569 WECWSSSBCWWWKP-DHDCSXOGSA-N 421.747 5.611 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 408864768 ZDIILJIDLHNRFO-ATVHPVEESA-N 401.919 5.123 30 40 HKEB Cc1[nH]c2c(C)cccc2c1/C=N\Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 409043305 YUQNBNZZRFCYDG-RROVHIOVSA-N 403.301 5.806 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)nc1 409095081 BGDJIXCSFOBHQQ-OPEKNORGSA-N 407.848 6.351 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 409207932 CTYSDNWAVULSAP-DHRITJCHSA-N 400.305 6.640 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409213665 VGZYLWCRCKAKBV-KBKYJPHKSA-N 422.714 7.424 30 40 HKEB Cc1ccc(-n2cccc2C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409278891 GFYVIPUQKZORFC-UHFFFAOYSA-N 410.521 5.426 30 40 HKEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 409344306 IPHKDYQBCLBUBE-BOPFTXTBSA-N 421.465 5.676 30 40 HKEB COc1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1OC 793766 NXEXNWOBXGNXIO-SANMLTNESA-N 413.517 6.167 30 40 HKEB CCOP(=O)(OCC)[C@@H](Cc1ccccc1)N=C(c1ccccc1)c1ccccc1 1643453 WLRUOTVHVFBTLE-DEOSSOPVSA-N 421.477 6.359 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC(F)F)c2C#N)C1 2792605 XTZGHZADPQRMBY-GFCCVEGCSA-N 404.482 5.624 30 40 HKEB N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)sc2c1CCCC2 3285106 XMTDBNVQOBAWFW-UHFFFAOYSA-N 422.937 5.983 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc1OC 4628346 ABYIGAJVDHDBOQ-XNTDXEJSSA-N 417.292 5.373 30 40 HKEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cc([N+](=O)[O-])ccc3O)C2=C(O)C1 18116121 PGOFXCMLMHGXNF-LJQANCHMSA-N 416.433 5.078 30 40 HKEB CCCCCCCCCCCCCCCCCC/N=C/c1cccc([N+](=O)[O-])c1 33354895 CYJAUTJCVVTAMF-WNAAXNPUSA-N 402.623 8.275 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 100744440 ZKIHPMHVQZGSRY-OMUDIIHJSA-N 420.658 5.052 30 40 HKEB biogenic O=C1/C(=C\C=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408913932 VHHXQVASSAJGDV-YEAKBBJFSA-N 410.542 6.090 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/N(c2ccccc2)c2ccccc2)c1C 408914725 YRKWVRPBFOTDSC-MTDXEUNCSA-N 423.516 6.273 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1[N+](=O)[O-] 408943730 LWSVGLOJWGURFP-KSEXSDGBSA-N 411.845 5.413 30 40 HKEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 409074668 WLWKXFVDEJRKKA-ZVBGSRNCSA-N 406.294 5.424 30 40 HKEB Cc1c(/C=N/Nc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409254485 DUQNHUMZKFHZJA-VULFUBBASA-N 408.332 6.751 30 40 HKEB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(-n2cccc2)cc1 1505840497 FMZBQQAINMMMSK-FRKPEAEDSA-N 413.904 6.606 30 40 HKEB C=C(Cl)Cc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O 1677707 NZPFXUVPFXIEEW-FGZHOGPDSA-N 419.392 7.375 30 40 HKEB CN(C)c1ccc(/N=C/c2c(Sc3ccccc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3668829 KQUUMQGMHUSWTM-HYARGMPZSA-N 422.466 5.471 30 40 HKEB O=C(/C=C/c1cccc2cccnc12)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 4148533 ULXOTICGVXMAMT-FOCLMDBBSA-N 402.453 5.639 30 40 HKEB Fc1ccccc1-c1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)o1 5575820 PTOBKEBDRRUZNS-KKMKTNMSSA-N 414.465 6.203 30 40 HKEB CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1cc(F)cc(F)c1 9109166 DIWNSEKJRXMSCD-QKFKETGDSA-N 410.464 5.374 30 40 HKEB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9477062 IATBFUYNSORBPE-QVKFZJNVSA-N 406.869 5.300 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 16609395 BEGJXUKMHNFNRY-DUMNWFOQSA-N 421.349 5.712 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 18197688 UGEWGTUGGRRKJJ-FQEVSTJZSA-N 414.299 5.031 30 40 HKEB Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463768 VDQPBMRPXGJYHS-MFKUBSTISA-N 413.502 6.753 30 40 HKEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 83316252 WXCFVYNKVVELQM-QRVIBDJDSA-N 411.845 5.282 30 40 HKEB CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 95889728 VVOIQBFMTVCINR-QRDUSVRYSA-N 414.586 5.293 30 40 HKEB biogenic C=CCCCCCCCCc1n[nH]c(SCCCCCCCCCCCC)n1 97952015 NXPMHWSSWAPJML-UHFFFAOYSA-N 407.712 8.277 30 40 HKEB Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3O)sc3c2CCCC3)cc1C 98086343 NNGUMBOTAYYUED-AFUMVMLFSA-N 404.535 5.952 30 40 HKEB CCCCCCCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC 408539810 JVDIJFMHSOGLNF-FOWTUZBSSA-N 413.992 5.577 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O 408872313 CUXUXGGKDUWPPA-YQHGCNTFSA-N 422.550 5.584 30 40 HKEB CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O 408906438 BLZIEUMJVXNTLC-OQNHBUHUSA-N 416.546 6.171 30 40 HKEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1 408989419 HRFFYIGPOWSYIR-PTNGSMBKSA-N 413.911 5.371 30 40 HKEB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 409033250 OKDNBQHRYGPKQD-HCBMXOAHSA-N 402.697 5.622 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 409098364 ONKOXNUTJWCFJY-LPYMAVHISA-N 402.744 7.004 30 40 HKEB C=CCN1C(=O)N/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409134493 UEJZXQLXFHQYAM-KGENOOAVSA-N 418.880 5.151 30 40 HKEB CCN(CC)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409241491 NWQXZLOABZQTRW-BUVRLJJBSA-N 411.343 6.614 30 40 HKEB O=C(Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 3168167 AAMHTGCWWBGCRY-JFLMPSFJSA-N 420.295 7.116 30 40 HKEB CCCCc1ccc(NC(=O)CSc2ccccc2/N=C/c2ccccc2O)cc1 6635970 ILVBHHBDOIUACM-YZSQISJMSA-N 418.562 6.216 30 40 HKEB Cc1cc(C)nc(N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 6672254 PISYUXYOKNZVJX-AFUMVMLFSA-N 408.465 5.138 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccs1)C1=C(C[C@H](c3cccs3)CC1=O)N2 12349935 KTMQQZJAFFZPNS-WHEQGISXSA-N 423.559 5.785 30 40 HKEB Clc1ccc2c(N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)ccnc2c1 12570695 FGCPNGNJSNPOIF-LQKURTRISA-N 423.907 6.187 30 40 HKEB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1Sc1ccccc1C#N 15940562 MONGVNGAHQXSFU-UHFFFAOYSA-N 424.472 5.583 30 40 HKEB O=C(/C=C/C1=C(N2CCCC2)CCc2ccccc21)c1cccc(Br)c1 16524687 NUZIQLSTCVSONG-ACCUITESSA-N 408.339 5.641 30 40 HKEB CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820365 UVTPIXIDRWECPU-UHFFFAOYSA-N 402.567 6.395 30 40 HKEB COc1c2c(cc3c1[C@H](CC(/C=C/C(C)(C)CC=C(C)C)=N/O)N(C)CC3)OCO2 36032934 CQQAESOLIQHLRS-MTYCGSIFSA-N 414.546 5.112 30 40 HKEB biogenic C=CCN1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S 208653762 DCMJWFHXQXWCFF-WQRHYEAKSA-N 419.930 5.445 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226362364 DGLAAIWWWCRIHP-JXMROGBWSA-N 417.808 5.688 30 40 HKEB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OCC)c2)S/C1=N\c1ccccc1 408906980 FOOCBRLVGXWQEX-RERTVAKNSA-N 410.539 5.498 30 40 HKEB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=N\Nc1ccc(Br)cc1 408993058 BSAHTJDFBZKWOK-OYKKKHCWSA-N 419.326 5.851 30 40 HKEB O=[N+]([O-])c1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 409106491 NQMRREBDZRDRLG-OPEKNORGSA-N 416.359 5.034 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br 409196660 XINPHFKGRSKACA-UHFFFAOYSA-N 415.100 5.528 30 40 HKEB COc1cc(C)c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C(C)C 409305493 NHTDWOLEYAUIMS-UHFFFAOYSA-N 417.553 5.767 30 40 HKEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1cccs1 717196 VMMFZKZMOAGDST-FQEVSTJZSA-N 423.921 5.223 30 40 HKEB CC[N+](CC)(CCC#C[C@@](O)(c1ccccc1)C1CCCCC1)Cc1ccccc1 1798058 AOWKZOFSNTYSCX-MUUNZHRXSA-N 404.618 5.905 30 40 HKEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2164597 PWDVHFLCUZXSIA-BOPFTXTBSA-N 404.274 5.246 30 40 HKEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(/N=C2\NCCCS2)cc1 5131165 XSQFTNDEPKEMJK-NYYWCZLTSA-N 401.329 5.059 30 40 HKEB aggregator C[C@@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccccc1C(=O)O 5394061 HNGRNUBGTGGOHR-MRXNPFEDSA-N 413.517 6.067 30 40 HKEB CCCn1c(SCC(=O)Nc2ccccc2C#N)nc2ccc(C(F)(F)F)cc21 12525237 FGRGQCLUXJEJMO-UHFFFAOYSA-N 418.444 5.068 30 40 HKEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17247131 QBXCVZMSWRFUDI-UHFFFAOYSA-O 408.953 5.024 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1ccccc1C(F)(F)F)C1=C(CCCC1=O)N2 18197220 AGZASBGIZVNSSS-HXUWFJFHSA-N 403.400 5.287 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)CNC(c3ccccc3)c3ccccc3)c2C#N)C1 58131715 UFSKRERQSSKIFU-QGZVFWFLSA-N 415.562 5.062 30 40 HKEB Cc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Br 59302698 KBNWXMUCIIJDFK-CIAFOILYSA-N 418.132 6.061 30 40 HKEB Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408731059 IOJQWWLJITVPRS-DFKUXCBWSA-N 412.536 7.870 30 40 HKEB Cc1cc(/C=N/C2=C[C@@H]3C(=O)c4ccccc4C(=O)[C@H]3C=C2)c(C)n1C1CCCCC1 408739949 GXLJGIMFICMIFN-WUXRASDRSA-N 412.533 5.794 30 40 HKEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 408961424 STTXQGXHHVOPKB-MSXFZWOLSA-N 400.261 6.021 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968094 UEXPIKDMSIEVOV-AFUMVMLFSA-N 409.917 6.704 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nc1 409072616 TZQMYPIQTAOBKI-KBKYJPHKSA-N 405.807 5.779 30 40 HKEB Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br 409077242 CZCCRTUFCBVAOR-ZWGXDWAISA-N 415.400 6.592 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409201647 NGKJYLUNWQFTAP-DHRITJCHSA-N 416.304 6.340 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccsc1 1079532 JAYXKFSQILDIKZ-MRXNPFEDSA-N 419.468 5.931 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)c2cc3ccccc3oc2=O)cc1Cl 2639334 RYLKCIYLLWFQNG-LNVKXUELSA-N 412.898 5.022 30 40 HKEB COc1ccc(NC(=O)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF)cc1Cl 3089757 PMDGQVMJRRYRDX-VIFPVBQESA-N 415.664 5.068 30 40 HKEB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(C#CC2(O)CCCCC2)cc1 4199023 FSXXGXBLWAELQV-UHFFFAOYSA-N 423.556 5.295 30 40 HKEB O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 4595452 OYLOYUKNSMPYKK-NFEGURHZSA-N 400.459 5.224 30 40 HKEB O=C1/C(=N/c2ccccc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 4713897 WJLJDYHMBOEPNM-BYCLXTJYSA-N 409.533 5.066 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCCC3)nc2c1C 4849123 XBTZGTIZVNMYDZ-UHFFFAOYSA-N 416.550 5.054 30 40 HKEB COc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 5327968 RYXYAGMILXIYPX-FMIVXFBMSA-N 404.462 5.188 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3ccccc3C(F)(F)F)NC2=O)c2ccccc21 5376653 IZYULPXOEHKUGZ-LICLKQGHSA-N 401.413 5.089 30 40 HKEB N#Cc1c(-c2ccc(Cl)cc2Cl)cc(-c2cccc(C(F)(F)F)c2)[nH]c1=O 8733591 NHKODTRQXZQART-UHFFFAOYSA-N 409.194 5.906 30 40 HKEB Cc1c(OC(=O)c2ccccc2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9422018 NEVMQIZDUPCEMF-OEAKJJBVSA-N 409.441 5.322 30 40 HKEB CCOc1ccc(Nc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1 12419012 YDNUMFFKLVMJHY-UHFFFAOYSA-N 415.449 5.836 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 20762587 OIJRFQHPXXZVJY-LQKURTRISA-N 401.485 5.269 30 40 HKEB C/C(=N\Nc1nc(C)nc2sc(-c3ccccc3)cc12)c1ccc(C)c([N+](=O)[O-])c1 33045722 LCTQPBOTWRBVMH-AFUMVMLFSA-N 417.494 5.719 30 40 HKEB CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O 51366922 MWGUENIFBORDOX-UIAIJNLVSA-N 415.562 5.782 30 40 HKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1Cl 59247781 NZGLDFCVMGCLMV-BHGWPJFGSA-N 417.292 5.858 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc4ccccc34)c(C)c2s1 72228627 AGRXUUFAMVJITA-DICXZTSXSA-N 416.550 6.516 30 40 HKEB CC1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)[C@]2(C)CC[C@@H]1C2 100092989 FNJORGFZHZTBIQ-ZWHPRVTKSA-N 420.658 5.052 30 40 HKEB O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccc(F)cc1 100413592 DQLRQSXKZKNDAQ-BRJLIKDPSA-N 424.497 6.300 30 40 HKEB C=C(C)C/N=c1/scc(-c2cc3ccccc3o2)n1/N=C/c1cccc(OC)c1O 103460920 IZGNLUXROTVLGY-ZGSYIBEGSA-N 419.506 5.036 30 40 HKEB c1ccc(/N=C2C(=N\c3ccccc3)/Sc3nc4cccc5cccc(c54)n3/2)cc1 103951371 DXLHLMAHDYNHRB-AORWUECESA-N 404.498 6.604 30 40 HKEB CCCCCCCCCCCCCC/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104259362 IKOKCNUVXOMYAS-OQKWZONESA-N 406.527 6.992 30 40 HKEB CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(NC(C)=O)cc1 104373376 LZKJIHMWNRUQNX-MOHJPFBDSA-N 404.624 5.364 30 40 HKEB CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 408911796 KQMIECMDWXXQGJ-UINIZAEWSA-N 423.541 6.470 30 40 HKEB CCCN1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N/c1ccc(Cl)cc1 409078325 HYIOILHFNCQFTM-LPBHKJSRSA-N 411.914 5.256 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Br)cc1C 409101212 WJBJLVLMUBBQRY-XKZIYDEJSA-N 403.320 5.126 30 40 HKEB C#CCOc1c(Br)cc(CNc2cccc(C)c2)cc1Br 409119594 PQPQNENMLQHXLF-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C#N)C1 2084140 PHYVZMTXNAZCQX-ZDUSSCGKSA-N 416.974 6.075 30 40 HKEB O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc23)N1c1ccc(Cl)cc1 2415890 UGQUZWXIABZDFB-HSZRJFAPSA-N 400.865 6.570 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1 4333262 VHBCOKOPCXDBTP-SANMLTNESA-N 410.517 6.701 30 40 HKEB COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 4597187 VRGKBONPABENNP-HSZRJFAPSA-N 422.525 5.248 30 40 HKEB Brc1ccc(N/N=C/c2ccc(OCCOc3ccccc3)cc2)cc1 4679578 FKLMHGUIVYNFIA-XQNSMLJCSA-N 411.299 5.353 30 40 HKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@H](C)C(=O)O)n2)cc1 4952452 PKJCLCUBKWCNBB-CQSZACIVSA-N 408.910 5.814 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 6782999 ASXHMLNWRVRLIG-NRFANRHFSA-N 422.481 5.062 30 40 HKEB Cn1c(N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc2ccccc21 7343401 OUQHFUYIJTUNSF-VULFUBBASA-N 413.912 5.676 30 40 HKEB COc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 14163762 MSKIQDPZHLCDNX-BSEYFRJRSA-N 417.484 5.274 30 40 HKEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 20762970 PMNFZJHLVOZQBP-AFUMVMLFSA-N 410.901 5.060 30 40 HKEB CCCc1nc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)cs1 26048988 GJQHEYFLMDWOOR-UHFFFAOYSA-N 408.552 5.215 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 59502375 KTOZZYWPCHIXQD-ZMOGYAJESA-N 423.925 5.983 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3cccc(OC(C)C)c3)c(C)c2s1 72228689 HOBCUMUJPJQEIA-UHFFFAOYSA-N 410.543 5.760 30 40 HKEB Cc1c(/C=N/c2ccc(C(C)C)cc2)c2ccccn2c1/C=N/c1ccc(C(C)C)cc1 100081769 FBJGVJVYLCOZAU-GFTXTJKWSA-N 421.588 7.996 30 40 HKEB CCCCCCCCCCCCCC/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104259357 IKOKCNUVXOMYAS-XLNRJJMWSA-N 406.527 6.992 30 40 HKEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)cc1Cl 216825875 MPNWXVHIZXURMZ-ZBKNUEDVSA-N 419.102 5.542 30 40 HKEB CC(C)c1ccc2c(c1)/C(=N/Nc1cc(Cl)cc(Cl)c1)C(=O)N2C1CSC1 223727785 GTHHBFIOOHAROW-CLCOLTQESA-N 420.365 5.395 30 40 HKEB Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1C#N 408594686 UWIPESBQVMOBOE-JFLMPSFJSA-N 424.460 5.329 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1F 408910427 KFQYKUOUJJPKBL-UHFFFAOYSA-N 424.269 5.458 30 40 HKEB C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 408941724 PMUVESOKESNSIM-QAJCSVGLSA-N 404.513 6.276 30 40 HKEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1cccc(F)c1 408967124 SJGHYBLGIMNLDQ-FYJGNVAPSA-N 422.456 5.435 30 40 HKEB COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780538 VPJASUGKRFVJRB-LFVJCYFKSA-N 400.507 5.128 30 40 HKEB O=C1CCCC(=O)C1=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2543452 URRVUNASQKSSRW-UHFFFAOYSA-N 410.779 5.164 30 40 HKEB O=C(N[C@@H](c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1)c1ccccc1 4321576 RYDILFMFMIUVNX-YZTZRZFLSA-N 404.513 6.018 30 40 HKEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c1C 5376570 SMCPHZULNJNLDB-UDWIEESQSA-N 408.910 6.108 30 40 HKEB N#Cc1c(SCc2nccc3ccccc23)nc(-c2cccs2)c2c1CCCC2 6045869 WJEMCMPPPQHTDT-UHFFFAOYSA-N 413.571 6.401 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 6813205 YYLIGNJEXNIHPT-CJFMBICVSA-N 417.508 5.690 30 40 HKEB COc1cc2c(cc1NC(=O)c1c(C)oc(-n3cccc3)c1C#N)oc1ccccc12 7667367 AGHNZIGBTPHKIB-UHFFFAOYSA-N 411.417 5.411 30 40 HKEB CC(C)(C)[C@H]1CCc2nc(SCc3ccc(F)cc3)c(C#N)c(C(F)(F)F)c2C1 8993169 DKQSRSKEIIIUGG-AWEZNQCLSA-N 422.491 6.554 30 40 HKEB COc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 14163724 HOVXOXFKGDFUPX-JBEBIEQOSA-N 417.484 5.274 30 40 HKEB O=[N+]([O-])c1ccc(NCCCN=C2c3ccccc3Cc3ccccc32)c(Cl)c1 16545896 SOUHVCMVNDEDMW-UHFFFAOYSA-N 405.885 5.492 30 40 HKEB CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1 18322717 UKDJUSMNANOMFN-DWXRJYCRSA-N 412.489 5.590 30 40 HKEB CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 20034510 CREGTTWOBSPQHN-LBPRGKRZSA-N 418.588 5.008 30 40 HKEB CC(C)c1ccc(-c2nnc(/N=C(\O)C3=NN(c4ccccc4)C(=O)CC3)s2)cc1 24092787 WERFXIJDOJKAPV-UHFFFAOYSA-N 419.510 5.100 30 40 HKEB Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3C)nc2c1 35189665 MOWYNZFVNOVSQD-BRJLIKDPSA-N 415.449 6.093 30 40 HKEB C#CCN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 62402676 YNVLMLBYGLJWAI-GOSISDBHSA-N 423.944 5.022 30 40 HKEB CC(C)c1cc(C(C)C)c(/N=C\c2ccccc2)c(C(C)C)c1/N=C\c1ccccc1 104340938 GDEHVUVSJMBQMX-RLVGRCEOSA-N 410.605 8.558 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 107803308 KRIIAGRILLJSTA-JVWAILMASA-N 408.904 6.931 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(N(C)C)cc3)c3ccccc32)c1 408542038 JIXILBZIGNUMPJ-YUMHPJSZSA-N 411.505 5.293 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccccc1OCc1ccccc1 408749428 OMFADKSJDPRNRT-FYJGNVAPSA-N 420.921 5.811 30 40 HKEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 408803246 MXOWIMKDMCVNSH-VYYCAZPPSA-N 412.411 5.151 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1F 409111317 HTSOZSNKBGCHNB-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccccc1Cl 409117818 OHNCBIBPTUOUID-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB Cc1ccc(C)c(/N=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)c1 409199383 CPUMQQTXVQGIDI-LQKURTRISA-N 409.485 6.484 30 40 HKEB Cc1cccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C 409202234 QPGJUSLYAMKOEG-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB C=C[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409241755 UOFATHGOGSXDPX-NWGMWSOJSA-N 406.482 5.440 30 40 HKEB Cc1ccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c(Br)c1 409246571 IVVKQNCHDNLBED-SRZZPIQSSA-N 419.116 6.531 30 40 HKEB COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1cccc2ccccc12 409369616 RPMMRYLDBCMIMS-HZHRSRAPSA-N 406.481 6.250 30 40 HKEB Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc(C)o2)cc1 5021080 XCFSKRXWZRJBEB-HSZRJFAPSA-N 401.510 5.591 30 40 HKEB Cc1ccccc1[C@H]1C2=C(Nc3nn(-c4ccccc4)c(O)c31)c1ccccc1C2=O 6208375 LQSVGOYDEPKHBQ-FQEVSTJZSA-N 405.457 5.051 30 40 HKEB C[C@](Cc1nc2ccccc2s1)(C(=O)OCc1ccc(C#N)cc1)c1ccccc1 13150383 RGMNTPXBIOOJMY-RUZDIDTESA-N 412.514 5.412 30 40 HKEB C=CCn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 13238118 RTVYFQKBBJNNCK-UHFFFAOYSA-N 404.514 5.173 30 40 HKEB CCC(C)(C)[C@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 13574006 AOVXKKQYPIUNSJ-KRWDZBQOSA-N 409.511 5.366 30 40 HKEB Oc1nncc(N/N=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1Cl 31783723 LWKZLOHZMFBJPX-UYOCIXKTSA-N 423.687 5.167 30 40 HKEB C[C@@H]1CCCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)C1 32594174 ZKDMXUISTQWMNB-MRXNPFEDSA-N 407.901 5.682 30 40 HKEB COc1cc(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1C(C)C 33649613 IYUVXOJTRGYNMY-JVWAILMASA-N 411.505 5.386 30 40 HKEB N=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)[C@@H]1c1nccs1 33851469 IOVHPFIJGQZEIP-KIMFWDJISA-N 410.495 5.279 30 40 HKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4o3)cc2)c(Cl)c1 59034397 DCDRBTMCOUVGIN-WYMPLXKRSA-N 412.276 6.160 30 40 HKEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c(C)c1 59679025 FEVXULGXVAMGBL-BRJLIKDPSA-N 424.884 5.291 30 40 HKEB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 102249901 HKXBNHCUPKIYDM-XFYXZQDYSA-N 412.658 6.612 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408870310 VUQDDAYWCUHHHF-MRWPGVCLSA-N 420.578 6.268 30 40 HKEB COc1cc2c(cc1/C=N\c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)OCO2 409108678 YKYLQRBNMQIJPE-UUYOSTAYSA-N 408.435 5.234 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 1889128313 MNCABEXSEDNYIM-OCMSQIRTSA-N 421.625 5.719 30 40 HKEB C=CCn1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 4114779 CNQNRKSBSMOSIA-XQNSMLJCSA-N 416.427 5.856 30 40 HKEB O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1ccccc1Br 4309342 FBNUIZGQBUPDCI-HSZRJFAPSA-N 404.307 6.276 30 40 HKEB O=c1oc2ccc(Cl)cc2cc1-c1csc(N/N=C/c2ccccc2Cl)n1 9058702 LJFUEVPYLOQGKY-LSFURLLWSA-N 416.289 5.669 30 40 HKEB COc1cc(/C=N/Nc2ccccc2)cc(Br)c1OCc1ccccc1 58823338 RRPCPTJADGRVDC-OEAKJJBVSA-N 411.299 5.483 30 40 HKEB CCOC(=O)c1c(C)oc2c1/C(=C/N[C@H](C)c1ccccc1)C(=O)c1ccccc1-2 100289900 YZAYQFMDZYOZEE-KWPCUBQOSA-N 401.462 5.320 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2cnc(-c3ccccc3)nc2)cc1 103894026 RPZVZDGZIMFSLO-MTDXEUNCSA-N 401.469 6.420 30 40 HKEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)c2ccccc12 136797285 PPMIFVWXGLCXHF-NHEOGQCNSA-N 409.536 5.070 30 40 HKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198082643 MJMVKVNPNBLGGR-GNYKCMPYSA-N 411.977 5.649 30 40 HKEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCCC2)cc1 225768626 BAFXJHGATNPZKG-UHFFFAOYSA-N 406.526 5.442 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 408587917 APDYMTVFGDYRHA-DHRITJCHSA-N 419.868 5.802 30 40 HKEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 408857038 MUBBHMWISGLGDY-NDENLUEZSA-N 408.910 5.702 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc(OC)c1O 408908909 TUZIIMZFUUZGAO-MIIQOVFOSA-N 408.523 5.143 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 408909274 GWLLYNGKTSKQLV-LJKGEWRBSA-N 403.551 5.889 30 40 HKEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc12 408931126 HNKVGMAKHFFPKZ-TURZUDJPSA-N 409.533 5.835 30 40 HKEB CCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccccc1 409014149 PCMGBTHRWVMRSV-UBWZAKNHSA-N 410.539 5.496 30 40 HKEB Cc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409085525 DDWSKFRFNFRAAU-ZMOGYAJESA-N 406.408 5.358 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OCC 409098670 RBGARWLNSGSZRZ-NVNXTCNLSA-N 423.818 5.815 30 40 HKEB COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)o1 409385007 HNCWCLUGBOBGRR-QFEZKATASA-N 401.418 5.469 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[C@@H](C)C2 873338 CSIIRWICTOESQE-OHBSIKEHSA-N 422.344 5.268 30 40 HKEB N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCc1ccncc1 989248 SUGVSBDAZGYTPD-UHFFFAOYSA-N 403.507 6.175 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1cccs1 1076709 FDGPNWLFWZWBGE-HNNXBMFYSA-N 419.468 5.931 30 40 HKEB Cc1ccn(-c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2)n1 1427007 QCJXTCKHBCDDBX-UHFFFAOYSA-N 410.502 5.456 30 40 HKEB CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1 2071224 KUCAHHPJQIYJAU-MUUNZHRXSA-N 424.588 6.996 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3c4ccccc4cc4ccccc34)ccc2o1 3113274 YFNIXIAYOBFHBR-UXHLAJHPSA-N 412.492 7.860 30 40 HKEB CC(C)(C)c1cc(/C=N/Nc2nccc(-c3ccccc3)n2)cc(C(C)(C)C)c1O 4671202 FBODFZRYUGVBID-JVWAILMASA-N 402.542 5.890 30 40 HKEB CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1 5234053 JMRSDYUYGIXEEL-NJRDNMGOSA-N 423.582 5.153 30 40 HKEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1Cl 5501455 BALNHTQNMRUGBS-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C\c1ccc(Br)cc1 12032551 KYPNGYSNEKASBN-PDGQHHTCSA-N 409.308 5.494 30 40 HKEB Cc1nc(N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)sc1C 16696178 ALSNRTCCZMVJKB-LSHDLFTRSA-N 406.338 6.092 30 40 HKEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1 16713888 BCZLASSHPIFUBY-UHFFFAOYSA-N 414.452 6.248 30 40 HKEB Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1 32984219 QMNOLMLAUWTLDP-UHFFFAOYSA-N 409.894 5.298 30 40 HKEB CCn1c2ccccc2c2cc(/C=N\N(Cc3ccccc3)c3ccccc3)ccc21 44712414 RPHJRJPXKZMFFQ-BRPDVVIDSA-N 403.529 6.855 30 40 HKEB CCOc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 408800597 NWECFOBVTHYFSE-XYGWBWBKSA-N 410.583 5.839 30 40 HKEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1O 408855828 FSTSMCMOXBIMOG-MMGZIVTHSA-N 422.550 5.584 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 408913281 SNLUUZUOSVHCSA-SMSCYPBYSA-N 417.328 5.087 30 40 HKEB Cc1cc(C)cc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 408935627 DGKDZEZARKYOIF-QRVIBDJDSA-N 420.425 5.145 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 408939507 STCYRRRJCWRQAG-KMXMJQARSA-N 403.529 7.053 30 40 HKEB Cc1cc(C)c(N=C2S/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)N2C)c(C)c1 409022569 BFARLPPPNUELRW-NGZUUMTHSA-N 417.534 5.342 30 40 HKEB C=CCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OC 409116272 UQIFXKNOCYMXEF-UHFFFAOYSA-N 423.294 5.039 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 409118474 NIJQPMPGXNPUCD-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409214299 WPJXKRUPIYWKIB-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OC 409215934 GSEDPTOQLIOVBK-RGVLZGJSSA-N 409.267 5.066 30 40 HKEB O=C1C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)c2ccccc21 409390318 CKXUJKHUAMQAPJ-UHFFFAOYSA-N 409.268 6.035 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)[C@@H]2c1ccc(C(C)(C)C)cc1 4117432 ZPWXFJIPDOYOKH-VWLOTQADSA-N 409.573 7.338 30 40 HKEB C=CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 4618300 IAQIVVPFLCPNEP-UHFFFAOYSA-N 421.588 5.189 30 40 HKEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OCc1ccccc1 4919715 VXHVYSWYPWMEGK-ZTKZIYFRSA-N 422.528 6.315 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1F 6201417 SXFYBBMEQWDGKV-UHFFFAOYSA-N 410.518 5.124 30 40 HKEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc2ccccc12 6662216 GRNAFKNIIVFWSP-UHFFFAOYSA-N 403.869 5.372 30 40 HKEB O=C1C[C@H](/C=C/c2ccccc2)CC2=C1[C@@H](c1ccccc1)n1c(nc3ccccc31)N2 7496063 YJXKXDKFSJBKOM-HEHUBFEKSA-N 417.512 5.998 30 40 HKEB CC(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 9420765 KNEREQHRVJOVBW-UCQKPKSFSA-N 420.486 5.194 30 40 HKEB COc1ccc(C(=O)/C(=C/C=C/c2ccccc2)c2nc3ccccc3o2)cc1OC 9575786 ZCHLXVKYOLAKLR-HGZPKWKRSA-N 411.457 5.825 30 40 HKEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 12349259 PAMOTRGRFGEWQY-JOCHJYFZSA-N 404.897 5.425 30 40 HKEB CSc1nc(Br)c(Br)c(-c2ccc(Cl)cc2)c1C#N 16248704 IPLIBTSCYZUABR-UHFFFAOYSA-N 418.541 5.521 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 18173753 DPNXZWNATNDIKH-QYBNEPECSA-N 423.541 6.533 30 40 HKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 19820367 KKQAVZCMHKMWSH-UHFFFAOYSA-N 404.539 5.787 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1 59566397 AWNCGJVTAPJPNK-KQWNVCNZSA-N 417.505 5.252 30 40 HKEB Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2o1 95482066 YMHDNRDTISUVTP-FSJBWODESA-N 407.267 6.022 30 40 HKEB Cc1ccc(/C(=N/C(Cl)=C(Cl)Cl)Sc2nc3ccccc3s2)cc1 100931420 AHSJRXZPGDPVAP-JWGURIENSA-N 413.782 6.987 30 40 HKEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225056724 QPQQHYHCGQNFTF-UHFFFAOYSA-N 416.340 5.292 30 40 HKEB O/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226339570 SOJUPMBJXJUGIU-WSVATBPTSA-N 419.500 5.252 30 40 HKEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408870313 VUQDDAYWCUHHHF-RJXHXUQZSA-N 420.578 6.268 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408934646 BLUGSHLHQDKZBJ-XKCZMGTLSA-N 404.513 6.276 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(C)c1 2450223 OIZXKMGSRQTLEX-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 4082204 YCDJBFBVNFNALN-RNWIMVQKSA-N 416.524 6.819 30 40 HKEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2cccc(Cl)c2)cc1 4498652 JLTBUHYLERQOMI-WGLQLPMYSA-N 405.885 5.339 30 40 HKEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(C(C)C)cc1 4576609 QJSCDOPGEURGPG-AGHKFTSRSA-N 423.582 5.407 30 40 HKEB C=CCn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccccc1OC 6076712 OLPLOICMSVZPBG-UHFFFAOYSA-N 410.524 5.149 30 40 HKEB CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCCC)n2)cc1 6710077 QIEUSTARQLATMC-UHFFFAOYSA-N 408.489 6.710 30 40 HKEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 6783787 UDMJQHMFQANSNU-UHFFFAOYSA-N 412.493 5.215 30 40 HKEB CN(CCC#N)c1ccc(CNC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 8724457 OOBVJHXPJNCSTB-HSZRJFAPSA-N 414.578 5.501 30 40 HKEB O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 8782015 XKQSPHMBCFUQNJ-WQCLTOEXSA-N 418.718 5.564 30 40 HKEB O=C1c2ccccc2CN(C(=Nc2ccccc2)Nc2ccccc2)c2ccccc21 17129879 UUYGVDQGFRWKEE-UHFFFAOYSA-N 403.485 6.037 30 40 HKEB O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 17167020 POWIPSMHDSPLOB-SIDNSYPESA-N 421.525 6.286 30 40 HKEB C(#CCN(Cc1ccccc1)Cc1ccccc1)C=C(c1ccccc1)c1ccccc1 19911432 FXXQEKWCKLHFNF-UHFFFAOYSA-N 413.564 6.824 30 40 HKEB Cc1nc(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c(C#N)c(C)c1C 23078513 OAPHPVRDJZRVJD-HZMBPMFUSA-N 424.595 5.155 30 40 HKEB CCOc1cc(OC)ccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 59484185 YBJDJPRMNAYRJH-UHFFFAOYSA-N 423.553 5.067 30 40 HKEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260742601 XPKFLTXTUKWCIA-RBUKOAKNSA-N 409.599 5.535 30 40 HKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1 408720094 XKUAMHAIBYRPMI-BNUIPMERSA-N 402.494 6.251 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408912572 QZTHJAIBOGWAPN-YSMPRRRNSA-N 415.424 5.912 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408964473 HCCOHSAZJDNWOU-FYJGNVAPSA-N 421.497 5.133 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1203577 KOIALBQHTIJNMG-PDGQHHTCSA-N 401.940 5.306 30 40 HKEB Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780515 SAMUFKGAYXEKLM-BUVRLJJBSA-N 404.926 5.773 30 40 HKEB CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)cc3)cc2)cc1 5418871 UYRRTWYOKWNSLP-OVVQPSECSA-N 405.469 6.365 30 40 HKEB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C#N)c(C)c1C 7059266 SVDCXPKCGWAVIE-SFHVURJKSA-N 401.535 5.665 30 40 HKEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1 20650592 CJXWUSFJAOKMRV-RYXVLCDZSA-N 415.892 5.279 30 40 HKEB COc1ccc(CNc2ccc(Cl)cc2[C@@](O)(C#CC2CC2)C(F)(F)F)cc1 22054377 BXJWOBQJYQHISM-FQEVSTJZSA-N 409.835 5.124 30 40 HKEB in-vitro Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)c1 27520692 XFPSUKMACQYYGZ-NDENLUEZSA-N 418.474 5.153 30 40 HKEB CN1c2ccccc2C(c2ccccc2)=C(C(=O)/C=C/c2cccc3ncccc23)[C@H]1O 79106293 UAAWRNYBMHQAJK-JPGMGBJISA-N 418.496 5.087 30 40 HKEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)ccc3O)cc2)c1 100507130 OHYDWUFHUGFITJ-YDZHTSKRSA-N 409.283 5.466 30 40 HKEB CCOc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 100954016 NSCDNPOXZFZOOQ-XYGWBWBKSA-N 404.535 6.029 30 40 HKEB CCCCCCCCCCCCCCCCCc1ccc(C(=O)O)c(C(=O)O)c1 101463397 ZEFPIJHDEATTCW-UHFFFAOYSA-N 404.591 7.497 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1Cl 102624166 NFUOOGDDWNYDJM-MRJHHRETSA-N 421.855 5.414 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225932484 BFCDDSPTTXUEHD-UHFFFAOYSA-N 419.952 6.899 30 40 HKEB CC(C)c1ccccc1/N=C/c1cc(Br)c(I)o1 408954814 VIRQXBJYFSIIJJ-CAOOACKPSA-N 418.072 5.521 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408963831 DCXWAKBZQRIDSR-ONDHQXCVSA-N 400.931 5.717 30 40 HKEB CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)sc2c1CCCC2 409063542 MICBMJPUNPUIBE-YSMPRRRNSA-N 420.578 6.270 30 40 HKEB N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 409141508 IVJQNMBEHSMLPC-PXLXIMEGSA-N 414.486 5.487 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409201381 MJVLHNKBALTCHD-JFLMPSFJSA-N 407.941 6.994 30 40 HKEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Oc2cc(O)ccc21 1105784 UMMPONGPQLLFIC-CFRMEGHHSA-N 420.424 5.607 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 1431390 SBIPOIDOYDNSCA-DEOSSOPVSA-N 408.505 5.274 30 40 HKEB CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2)cc1 1438366 ANMJUTJWIVOYLS-NRFANRHFSA-N 403.503 5.654 30 40 HKEB O=C(/C=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1cccs1 2194880 RZAGGYXGZSKSJM-YJUNHESCSA-N 420.533 7.123 30 40 HKEB Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c2ccccc12 2348377 UPMVFTFEZZCKQY-MHZLTWQESA-N 405.522 7.015 30 40 HKEB N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1Sc1cccc(C(F)(F)F)c1 3104539 GQULJWLKFFRXJN-UHFFFAOYSA-N 416.399 6.120 30 40 HKEB CCCCCC(=C/c1ccccc1)/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 5523641 RTJMMSODBQUTEU-GRFBESBKSA-N 409.643 6.069 30 40 HKEB N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(Cl)c(Cl)c1 8857397 AOKRRENJYQAJNG-UHFFFAOYSA-N 409.194 6.738 30 40 HKEB Cc1ccc(O)c(/C=N/C[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1 12866613 RHCQKTVYOJLSRN-HPSLKSCPSA-N 423.641 6.283 30 40 HKEB biogenic CCCCCCCCCCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 18100951 OIBHRPBJOVDSRU-UHFFFAOYSA-N 421.541 5.495 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)cc1 32984146 BNBSJUSOCHTETG-UHFFFAOYSA-N 403.503 5.262 30 40 HKEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 59137864 IZUNGTNIUDIWBZ-ZHZULCJRSA-N 420.559 6.193 30 40 HKEB Cc1nc(/C=C/Nc2ccc(F)cc2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N 100101084 DYSBDNWKFXILQY-MDZDMXLPSA-N 423.278 6.329 30 40 HKEB Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1 100297270 RDKAYXDRWCYVEP-DHRITJCHSA-N 404.853 6.103 30 40 HKEB CCOC(=O)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1 100297788 OKUYOOWXOGRRMN-TWGQILOBSA-N 408.523 5.123 30 40 HKEB CCCCCCCCC/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1O 100930229 UHBDBYIWRYGJBU-DARPEHSRSA-N 404.551 5.103 30 40 HKEB COc1ccccc1/C=C1/S/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 103233314 HPCMTNUERKPNRM-OVCLIPMQSA-N 412.820 5.259 30 40 HKEB O/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339594 UUMDNJLCNGAITC-SWNXQHNESA-N 409.494 5.796 30 40 HKEB CCOc1cc(/C=N\O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 408540092 MZGMWBMUXMSHNJ-QQXSKIMKSA-N 421.493 5.450 30 40 HKEB CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1Cl 408596013 YPINAMSXKZQJFH-JFLMPSFJSA-N 420.896 5.740 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl 408647946 BZQQNNCTNZJPSZ-AFUMVMLFSA-N 420.900 5.260 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1O 408938854 RTJWYPYYAGIYFR-FMFBFICYSA-N 424.544 6.676 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 408939978 SZDPSAQMJJGGFC-NMTWOBBNSA-N 422.528 6.359 30 40 HKEB COc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl 409045792 IAZOGVGKFBEGFF-UHFFFAOYSA-N 406.309 5.045 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 409208645 DJGNVUGDQGKBRA-MTDXEUNCSA-N 411.501 6.577 30 40 HKEB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)s1 1531310183 NASKNHQUXNYIDU-KEBDBYFISA-N 424.751 5.099 30 40 HKEB Cc1ccccc1-c1nc2cc(/N=C/c3ccc(OCc4ccccc4)cc3)ccc2o1 3117108 YJSOIHLKADGOKS-RDRPBHBLSA-N 418.496 7.133 30 40 HKEB COc1ccc(CCCC[C@H]2CO2)cc1Oc1ccc(CSc2ccccc2)cc1 4289027 FKUOVAVPFBDZHO-QHCPKHFHSA-N 420.574 6.891 30 40 HKEB O=[N+]([O-])c1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1Br 4460300 IXCSNGRKMSOMNA-LAMRRIJQSA-N 409.243 6.523 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c[nH]c3ccccc13)Nc1ccccc1N2 5224622 PSUHWZLQBNTFEV-CLYVBNDRSA-N 405.501 6.147 30 40 HKEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 5551168 YISZMNYNUKVLKQ-AQTBWJFISA-N 415.356 5.683 30 40 HKEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)cc1 10119151 ZMEACRNUBZLUAN-VULFUBBASA-N 418.884 5.375 30 40 HKEB COc1ccc(Br)cc1/C=N/c1cc(-c2nc3ccccc3[nH]2)ccc1C 16311768 GZEARZHHHNNMNR-ZMOGYAJESA-N 420.310 6.060 30 40 HKEB CCCCCC(=O)/C=C\C[C@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] 16998543 AEBLDRQVETTYBH-KYPOQWJBSA-N 410.555 5.217 30 40 HKEB Cc1cc(C)c2c(n1)sc1c(-c3ccc(Br)cc3)c(C#N)c(N)nc12 20841125 WCCNCACOLTUHPL-UHFFFAOYSA-N 409.312 5.345 30 40 HKEB N#C[C@@H](C(=O)CSc1nnc(C2CCCCC2)o1)c1nc(-c2ccccc2)cs1 32860246 ZTRLJVPDIFXRMP-INIZCTEOSA-N 424.551 5.209 30 40 HKEB COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(CSC(C)C)c1C 78877225 UYBMAHWEYXYBFZ-UHFFFAOYSA-N 412.555 5.315 30 40 HKEB CCCCCCC[C@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 98043787 HOYNZWRMBYCLFF-OLCBNHMFSA-N 407.642 7.216 30 40 HKEB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 245231871 LFBOEUGQWILAMO-MGPKCWJKSA-N 406.566 5.581 30 40 HKEB Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408619063 FUHJOFDFKSUDOE-SFQUDFHCSA-N 422.484 6.565 30 40 HKEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCc1ccco1 408800621 QFNJUTWTCXLYEM-KSEXSDGBSA-N 403.265 5.032 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1[N+](=O)[O-] 408857982 OMEYNJAJPKHZJX-KSEXSDGBSA-N 411.845 5.413 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 408916625 YOZGDNZUEAAXTC-QGPWVIIOSA-N 402.922 6.190 30 40 HKEB Brc1ccc(/C=N\Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 408978398 ZKTUAMXGCXIRLR-JAIQZWGSSA-N 414.284 5.872 30 40 HKEB Brc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1 409010402 DSTFUZBRAJGAHS-UDWIEESQSA-N 404.105 5.753 30 40 HKEB COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 409084615 YGBHFUJGLMXZDG-JEWIKEISSA-N 402.563 6.683 30 40 HKEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1ccc(Cl)cc1 409100329 MTTOHEVHALEFTF-FOKLQQMPSA-N 408.767 5.504 30 40 HKEB Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 409203388 XRCGVYWDWDVRHO-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 409207797 ACORTEWYWRCLQO-AUEHGNIOSA-N 412.511 5.042 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O 2100244 GXBQNTGJVRNEHB-KNXZYVGWSA-N 412.441 5.129 30 40 HKEB biogenic CCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 4168019 UMDPAQYCGJZZNO-RUZDIDTESA-N 404.554 6.314 30 40 HKEB CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 4834349 MVZWTHGZOKKUQM-KRWDZBQOSA-N 422.598 5.465 30 40 HKEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cn(CC)c2ccccc12 7459131 NCXZRCJZUGHSDW-UHFFFAOYSA-N 416.550 5.005 30 40 HKEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 8770992 GAWSUVXJIYKUIH-LJQANCHMSA-N 422.506 5.125 30 40 HKEB COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 9264167 XCWYBDAEIQBXTP-HHHXNRCGSA-N 410.517 5.876 30 40 HKEB COc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1Cc1ccccc1 12042174 NCXYNLMMMGZAAG-UHFFFAOYSA-N 411.461 5.102 30 40 HKEB O=C(/C=C\Nc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1 16400621 NXTIAMZHBNHTBZ-KTKRTIGZSA-N 417.168 5.119 30 40 HKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C2CCCCC2)cc1 33435834 ZZQKGZIGAUAWLR-HELSZXIZSA-N 421.629 5.878 30 40 HKEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NCc4ccco4)o3)cccc2c1=O 36360545 RXXIFUJGFUKSCM-UHFFFAOYSA-N 423.428 5.500 30 40 HKEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)c1 59426777 QDKRKYALBJMQRU-UDWIEESQSA-N 418.474 5.153 30 40 HKEB Cc1ccc([C@H]2/C(=C(\O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1 102718504 KAQQEFPWPYRBGN-AYWGPLOBSA-N 424.456 5.071 30 40 HKEB CC1(C)COc2ccc(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)cc2OC1 225372225 LHDRVPDWJDJBFE-GXDHUFHOSA-N 414.501 5.959 30 40 HKEB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 408653416 IZWHZICCCZNGBE-IZZDOVSWSA-N 400.305 6.306 30 40 HKEB CC[C@@H](C)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 408909496 DFAUMQLVLBVHDJ-MQVQIGFMSA-N 419.377 6.704 30 40 HKEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1O 408913761 RLKCXTRPCSRHLL-LBMUFILHSA-N 422.550 5.646 30 40 HKEB CCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O 1245175 QWCXDOPBCSTBKQ-XMMPIXPASA-N 404.510 5.248 30 40 HKEB Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 3049805 BJZQCBSUBXTRSC-YSURURNPSA-N 417.679 6.911 30 40 HKEB Cc1ccc(C)c(/N=N/c2cc(C)c(N/N=C3\C(=O)C=Cc4ccccc43)cc2C)c1 3861442 HJAYEODIXUYVIC-HKPTTZLBSA-N 408.505 6.748 30 40 HKEB CC(/C=C(\C)c1ccc(-c2ccccc2)cc1)=N/NS(=O)(=O)c1ccc(C)cc1 4273548 KUZSGNNJPFTMBN-YOSHRXIXSA-N 404.535 5.420 30 40 HKEB CCOc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O 4599272 JQADDQGNOFOCIF-ZVBGSRNCSA-N 408.310 5.667 30 40 HKEB Clc1ccc(CO/N=C(\CSc2ccc(Cl)cc2)c2ccccc2)cc1 5278318 BVGULLDJSLPKKR-DARPEHSRSA-N 402.346 6.707 30 40 HKEB Cc1c(/C=N/Nc2ccc(Cl)c(Cl)c2)c(O)n2c(nc3ccccc32)c1C#N 8078375 NXXIJSROJJQCMQ-YSURURNPSA-N 410.264 5.126 30 40 HKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 19201976 ALYACXKDAYMDHI-GOSISDBHSA-N 422.352 5.551 30 40 HKEB COc1ccc(C(=O)/C=C(\C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 32100327 UQDFLJAVPRSVSH-YRNVUSSQSA-N 403.322 5.931 30 40 HKEB CC(C)c1nc(C(C#N)(C#N)CC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 95117606 DELUWTZRCLAYFU-UHFFFAOYSA-N 416.912 5.167 30 40 HKEB C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 118920814 GRBHNQFQFHLCHO-IWMHPTSZSA-N 424.713 8.233 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 214884170 PILZQVYFZGAXGY-WOJGMQOQSA-N 420.317 5.795 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)c1 408755107 TZNJPBVGFACNET-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)cc1 408959801 GCKKMAWQIADUGU-ATVHPVEESA-N 418.349 5.485 30 40 HKEB C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 409074424 LOMBVLXROFUQKN-RCCKNPSSSA-N 421.518 5.225 30 40 HKEB C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1F 409111928 AJOXNKPRSSRKPF-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 409208740 CYIUYHZTUQNZHL-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB Cc1cc(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccc(-c3ccccc3)cc2)n1 1823664 PATPNZNBCZQPJY-UHFFFAOYSA-N 421.504 5.290 30 40 HKEB C=CCSc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2369295 FRQVJKJHWZYPTK-UHFFFAOYSA-N 414.621 6.113 30 40 HKEB CCOc1cc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc(OCC)c1OCC 3236510 LFTAZZFQBKYRJB-UHFFFAOYSA-N 420.509 5.131 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@]3(C)C=CC(=O)CC3)CC[C@]12C 4666757 YLFAUVCVKUBIFC-JQGMWDAJSA-N 402.619 6.518 30 40 HKEB CC(C)(C)C#CSc1nsc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1 4984724 QYCXKVQSCBGSFB-UHFFFAOYSA-N 400.451 5.300 30 40 HKEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc21 8959573 PSRGWSQEHVSSPU-UHFFFAOYSA-N 419.308 5.183 30 40 HKEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4)c3C)C2=O)c2ccccc21 9423424 IUXJMRWUJPNKMD-BUVRLJJBSA-N 423.468 5.805 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 83311989 UOKLJTCQXHONSX-FMCGGJTJSA-N 416.264 5.927 30 40 HKEB CC(C)(C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795780 NYNVBUYFKJOWNL-UHFFFAOYSA-N 400.184 5.042 30 40 HKEB COc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(C)cc2)cs1 408971475 PCAFQRUJBDENOJ-KEBDBYFISA-N 402.317 5.336 30 40 HKEB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1-c1ccccc1 409115851 LENFLKLDJQYUDR-UHFFFAOYSA-N 410.882 5.369 30 40 HKEB COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409186428 BXACHYOMJQCVCX-BRJLIKDPSA-N 413.832 5.516 30 40 HKEB CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(C)c2)cc1OC 409380424 MVCUIYLXXRKTKM-YSRRJJCPSA-N 410.739 6.347 30 40 HKEB Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 631664 NLURCGSPXUXRBD-UHFFFAOYSA-N 412.514 5.369 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C#N)C1 5383754 PHVDWAPZZLFGSQ-SFHVURJKSA-N 418.562 5.941 30 40 HKEB COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1Cl 8811352 VWIAMZGQWMQITB-DHRITJCHSA-N 415.320 5.705 30 40 HKEB Cc1cc(C)cc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1 32984223 VJPZTHTVNOMOKC-UHFFFAOYSA-N 423.921 5.607 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccco1 33027052 ZRSUANGYFXTBCT-UHFFFAOYSA-N 411.417 5.744 30 40 HKEB CCCCc1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1 100425216 LEKWNWOPBGHHAL-UHFFFAOYSA-N 420.622 6.202 30 40 HKEB Cc1cccc(/C=N\c2ccc(-c3ccc(/N=C\c4cccc(C)c4O)cc3)cc2)c1O 103893363 JHOYSQJJZDPVRT-LZUTUTKMSA-N 420.512 6.883 30 40 HKEB CCCCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 105019917 TYSCYTJCTWMRHZ-OAQYLSRUSA-N 420.571 7.275 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 408753351 OEHABNQRXPKHNX-VIZOYTHASA-N 408.266 5.102 30 40 HKEB Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408849719 YPDPIQBOGYTHMU-DHRITJCHSA-N 404.466 5.365 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1c(C)cccc1C 408906014 AEPHKYONWGWHSU-HBAVDNSESA-N 405.350 6.234 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 408914341 NVPYCOZOSVIOMB-PZHPEBMISA-N 410.539 5.415 30 40 HKEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(OC)c1C 408959932 ASPKVWJODUZAMT-OQLLNIDSSA-N 423.321 5.211 30 40 HKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl 409020449 PLVOAHBLRBPZCI-UNOMPAQXSA-N 411.889 5.470 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 409208719 CSXJHWHDEYBNHC-MFKUBSTISA-N 424.338 6.486 30 40 HKEB Cc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)n1C1CCCC1 409291153 CCKDDQOVYTZRQM-UHFFFAOYSA-N 416.569 5.860 30 40 HKEB CCOc1cc([C@@H]2Nc3c(ccc4ccccc34)C3=C2C(=O)CC(C)(C)C3)ccc1O 684739 MQTXHLJNZDMFTE-VWLOTQADSA-N 413.517 6.254 30 40 HKEB CCc1nc(SCC(=O)c2ccc(Cl)cc2Cl)c(C#N)c2c1CCCC2 947957 MTWVVHNKHYOQTR-UHFFFAOYSA-N 405.350 5.676 30 40 HKEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 1354444 HBEFRLPFSGVPRO-UHFFFAOYSA-N 415.440 5.473 30 40 HKEB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)C#Cc1ccccc1 4478261 NRUFSPVVXJCGNK-AVFWISQGSA-N 409.573 5.907 30 40 HKEB COc1ccc(NC(=O)c2c(/N=C/c3cccnc3)sc3c2CCCCC3)cc1 4545793 XQIVZLPJRMAFJD-MFKUBSTISA-N 405.523 5.424 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCc4c(C(C#N)C#N)csc4[C@@H]3CC[C@@]21C 5497712 MKHNPPYVMVKVJL-BUHRTIBLSA-N 422.682 7.814 30 40 HKEB CC(C)(C)C1CCC(=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1 6313376 YMTUNEGGAJOYHN-UHFFFAOYSA-N 405.917 6.238 30 40 HKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1 6755269 WAKFJKBIBCWXDJ-UHFFFAOYSA-N 402.416 6.379 30 40 HKEB CCC1([C@](O)(C#CCN(Cc2ccccc2)C(C)(C)C)c2ccccc2)CCCC1 67194105 VWMPSXHEPCTYSO-NDEPHWFRSA-N 403.610 6.149 30 40 HKEB C[C@]12CC[C@@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(C#Cc3ccccc3)=CC[C@H]12 253617149 AHMJMFJZNJAALU-RMZQZVDHSA-N 402.578 6.159 30 40 HKEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)c1C 408779801 KTSJPMUBVGRTLS-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O 408847807 SDTAPFYEXITIOG-STZFKDTASA-N 406.482 5.659 30 40 HKEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408946625 PGCDHDRLMCBLGI-DHRITJCHSA-N 418.884 5.440 30 40 HKEB CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC 408976504 FUICZWOIBANYCL-WGOQTCKBSA-N 420.578 7.016 30 40 HKEB O=C(COc1ccc(/C=N/c2ccccc2)cc1Br)Nc1ccccc1 409209917 IEWOUGFJPQCAIY-OEAKJJBVSA-N 409.283 5.217 30 40 HKEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 4838768 IBYBVWVNEBGBEM-PDGQHHTCSA-N 401.940 5.306 30 40 HKEB COc1ccc(OC)c(/C=C\C2=C(C)C(=O)C[C@@H](c3cc(OC)ccc3OC)[C@H]2C)c1 5395660 XFKMHVHJTMTWOA-WMULEDGMSA-N 422.521 5.443 30 40 HKEB CCOc1ccc(/C=N/OCc2csc(-c3ccc(Cl)cc3)n2)cc1OC 6948118 OTQYPXVHUSUCPP-SSDVNMTOSA-N 402.903 5.422 30 40 HKEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(OC)c1O 8363003 VCIRGYZUINSPHO-ZSICUCBDSA-N 408.523 5.062 30 40 HKEB C=C(C)COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 8740787 ZLMTXGFCHVKPIE-UHFFFAOYSA-N 408.807 6.076 30 40 HKEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 9264157 ZEVHKAABLOYYHI-AREMUKBSSA-N 424.500 5.516 30 40 HKEB C=CCN(C(=O)c1csc(-c2cccs2)n1)c1nc(-c2ccccc2)cs1 18085061 TURBTLWJQLXZIG-UHFFFAOYSA-N 409.561 5.828 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200053 BJWGQPGUUJVREB-CMJOXMDJSA-N 418.518 5.119 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](S)CC[C@]4(C)[C@@H]3CC[C@]12C 19908332 FAODDNXUWZRRDC-LETAXAKJSA-N 402.732 8.326 30 40 HKEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1Cl)N1CCCCCC1 35672593 WOGDZFPXFNNKTE-OAQYLSRUSA-N 421.932 5.291 30 40 HKEB Cc1[nH]c([C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)nc1-c1ccccc1 72305874 KKCVAIPYKPKWDC-LJQANCHMSA-N 416.529 5.182 30 40 HKEB CCCCCCCCC[C@@H](CC)OC(=O)c1ccccc1NC(=O)c1ccccc1 98001371 YNGUYZBYUUZRMU-JOCHJYFZSA-N 409.570 7.015 30 40 HKEB O=C(Nc1ccccc1)C(=N/Nc1ccc(Cl)cc1)/N=N/c1ccc(Cl)cc1 100401558 BKJHVRGBMDPYHI-OYMPBZEMSA-N 412.280 6.141 30 40 HKEB CCCCCCCCCCOc1ccc(NC(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 103007541 KBSAUTOZWSLSDK-JTHBVZDNSA-N 416.650 7.542 30 40 HKEB CCc1ccc(C(=O)/C=C/Nc2cc(C(F)(F)F)cc(C(F)(F)CF)c2)cc1 106565927 KLQRDMNQSOCQCR-BQYQJAHWSA-N 401.350 6.138 30 40 HKEB C[C@]12CC[C@@H](OC=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 253617615 YRJDKDJYIUMOKX-HKGWWTQCSA-N 420.593 5.354 30 40 HKEB CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 408721169 DLIKFIJOBWLWJP-UHFFFAOYSA-N 421.537 6.175 30 40 HKEB Cc1nnc(S)n1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408882279 MFEAYPAFWZBCOH-FSJBWODESA-N 408.914 5.143 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3c4ccccc4cc4ccccc34)c2C#N)C1 409078480 HYPSBGBRACEEKE-SOTNGODCSA-N 422.597 7.828 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)Nc2ccccc2)C1 409078964 JQMFLBLYZMOEGG-ZQZJVFIWSA-N 417.578 6.297 30 40 HKEB C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc(F)cc1 409129276 GDDYTQLXHPEEMH-UHFFFAOYSA-N 405.513 6.316 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 409214679 ZTDRZLFFGUJILY-WGOQTCKBSA-N 409.913 6.467 30 40 HKEB COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)ccc1OC(C)=O 705187 SNBAZYMWZJDXOB-AFUMVMLFSA-N 416.502 5.956 30 40 HKEB O=C1C=C(/C=C/c2cccs2)C[C@H](c2cccs2)[C@H]1n1nnc2ccccc21 1056176 XDVDWARGDJSGGV-HXRLCAAQSA-N 403.532 5.492 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1 1434802 VAHFXAKKGRJRCZ-MRDQGFSESA-N 416.471 6.253 30 40 HKEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@H]3c2ccc(F)cc2)cc1 1461569 PVQMZRZNJPODHU-BCHFMIIMSA-N 423.491 5.900 30 40 HKEB S=C(N/N=C/c1cccc(Oc2ccccc2)c1)Nc1ccc(Cl)cc1Cl 2099987 CDMVELGBNZBSHO-YDZHTSKRSA-N 416.333 6.106 30 40 HKEB N#Cc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 3272406 OSVVPQSTQFGPEB-UHFFFAOYSA-N 409.872 6.902 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)c1 10118955 OHCGKYQIHRWAML-CVKSISIWSA-N 409.917 5.048 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ncc(C(F)(F)F)cc3Cl)o2)cc1 12533642 ZSVBBHWNGHXFMG-NUGSKGIGSA-N 410.739 5.368 30 40 HKEB COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2o1 12756006 MHWNMTWVHHVCKU-AQTBWJFISA-N 415.445 5.277 30 40 HKEB CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797225 MKMHRJOOTVQGPG-DEOSSOPVSA-N 419.525 5.492 30 40 HKEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@H]3CC(C)(C)CC(=O)[C@H]32)cc1Cl 36612596 MDHKJVXFXCDIDI-SESVDKBCSA-N 416.945 5.480 30 40 HKEB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 66088922 MBTWIGKVQFWBRB-IBGZPJMESA-N 401.934 5.286 30 40 HKEB CCCCCCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 102561722 KEOFNUQIBWIYHL-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CCC[C@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C 103971784 ROGGJWDJRVWFJL-DDQGRPCQSA-N 416.690 6.990 30 40 HKEB CCCCCCCCCc1ccc(C(=O)O)c(C(=O)O)c1CCCCCCCCC 113313703 DJHRSURIZCWHAC-UHFFFAOYSA-N 418.618 7.669 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1Cl 408847233 UJSYLCUFBMTTMY-GOSISDBHSA-N 414.288 5.125 30 40 HKEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1cccn1-c1ccccc1 408854289 BPSOETRAICSTJQ-AQTBWJFISA-N 424.323 5.131 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1CC 408909945 HWSQAHOYVWRZLJ-FWBDJVAPSA-N 405.350 6.180 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc12 408910804 LDQKTHUJESJFNX-LBMUFILHSA-N 402.519 5.781 30 40 HKEB CC/N=C1/S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)N1CC 408928400 AUDODOXYEUATCJ-BBNBJWFKSA-N 419.344 5.330 30 40 HKEB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(-c2ccccc2)cc1 409084458 MCVCOYSZTDFQEK-NDZAJKAJSA-N 407.557 7.278 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409207827 AUICGPNPTQQRAA-LFVJCYFKSA-N 409.507 5.220 30 40 HKEB C=CCn1c(SCc2cccc(Br)c2)nc2sc(C)c(C)c2c1=O 2387671 DBVHVADZCSDIFP-UHFFFAOYSA-N 421.385 5.316 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc(Br)cc1 3176848 GITLPZYTMLIRRH-UHFFFAOYSA-N 409.308 5.358 30 40 HKEB Cc1ccc(CSc2nc(NC3CCCCC3)c(C#N)c(-c3ccccc3)n2)cc1 4060178 FQXDTUBEHNZGJH-UHFFFAOYSA-N 414.578 6.361 30 40 HKEB COc1ccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(OC)c1 4410052 UEBSQLZSDHLZNT-FOKLQQMPSA-N 407.417 5.292 30 40 HKEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1 5393139 PRIYUFNTLDCFAH-VWLOTQADSA-N 418.537 5.638 30 40 HKEB CCCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl 9196897 BBLOWXRHVFNYMP-UFFVCSGVSA-N 416.146 5.668 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 9448604 YIYMYQNAYSACNX-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB O=S(=O)(/N=C(\Nc1cccc2ccccc12)c1ccccc1)c1ccc(Cl)cc1 12378366 ZHYSBXZWFCXQQP-UHFFFAOYSA-N 420.921 5.741 30 40 HKEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 12564685 IDEHXWIGBOCAGV-XNTDXEJSSA-N 402.856 6.228 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1 13769431 CFLMVLAFLKQDCV-KSEXSDGBSA-N 406.409 5.038 30 40 HKEB COc1ccc(-c2oc(/N=C/c3cccc(O)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 14408591 MAEKOWCMTGSLHV-LQKURTRISA-N 424.456 5.959 30 40 HKEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3cc(Cl)cc(Cl)c32)cc1 46084949 HPOCWQVQZCQWFE-MOHJPFBDSA-N 421.324 5.285 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O 60087408 LGFIRJFZBSYRDL-UHFFFAOYSA-N 406.673 7.628 30 40 HKEB Cc1ccc(NC(=O)NC(O/N=C(/Cl)C(C)C)(C(F)(F)F)C(F)(F)F)cc1 100676062 SAERYWTWYMCHLZ-OPEKNORGSA-N 419.753 5.162 30 40 HKEB CCCCCCCCCCCCCC[C@H](CCCCCCC(=O)OC)C(=O)OC 101673551 UUFMVVDMEZDMBI-HSZRJFAPSA-N 412.655 7.380 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)CC2 102096947 FQUGRYOMZNPDPI-UHFFFAOYSA-N 413.646 8.016 30 40 HKEB O=c1c(/C=N/Cc2cccs2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 103638963 ZZRMOLBOUAPXGL-OEAKJJBVSA-N 416.531 5.123 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764297 NSWLCCCRJYSBCE-UHFFFAOYSA-N 410.945 6.231 30 40 HKEB CCN(CC)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408544102 URKYIGFIGKQASA-CVKSISIWSA-N 415.493 5.578 30 40 HKEB Cc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 408692016 BIULXLXZFZZQJA-ZRDIBKRKSA-N 408.339 6.370 30 40 HKEB CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@@H](C)CC)C1=O 408910630 IUHYIYKSBYEPAN-FNXXDVGZSA-N 408.567 6.186 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N2C(C)C)cc1 408915008 WOCREIFOEWHITJ-DDOPLPCHSA-N 420.509 6.407 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 408945781 XHNNCTIKEIHCFW-WDNMFVQISA-N 414.936 6.931 30 40 HKEB COc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 409212160 PQQLCZBTUBRDSR-JVWAILMASA-N 401.893 6.831 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3Cl)c2C#N)C1 1771093 BQEHDMYQAHNYGW-LBPRGKRZSA-N 423.365 5.849 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccc(Cl)c1 2442330 BZARMHLALKGDIU-UHFFFAOYSA-N 412.946 5.078 30 40 HKEB O=C1OC(c2ccccc2)=C(c2ccccc2)[C@@]12OC2(c1ccccc1)c1ccccc1 3764255 HSCQFBLOXHBPIJ-GDLZYMKVSA-N 416.476 5.825 30 40 HKEB O=C(/C=C/c1ccncc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 4051991 ZLIDHFJRIVUMBG-LZCJLJQNSA-N 404.775 5.837 30 40 HKEB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 4648585 VRMCMTQWWGYNMA-LTNVFZTJSA-N 415.518 5.396 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Cl 5500623 YHEHSLKBWGOFRB-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 9216492 OPPRGKJFRISQGV-MTJSOVHGSA-N 424.811 5.323 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2cccc3ccccc23)n1 9423330 HUMOCZVXRGRZJS-UHFFFAOYSA-N 400.469 6.715 30 40 HKEB CC(C)(C)c1ccc(OCCCC(=O)N2CCCS/C2=N\c2ccccc2)cc1 12528936 DVHVKZDHDATWKT-BZZOAKBMSA-N 410.583 5.796 30 40 HKEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12676494 PIFJVKRSNBKDTQ-LJQANCHMSA-N 423.541 5.855 30 40 HKEB COc1ccc(C)cc1[C@H](CCOS(=O)(=O)c1ccc(C)cc1)c1ccccc1 38319610 XFMJXASCGLTHSN-JOCHJYFZSA-N 410.535 5.240 30 40 HKEB CC(C)COc1ccc(/C=[N+](\[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 80343913 NGRQJAKHPULJPG-NTFVMDSBSA-N 413.477 5.699 30 40 HKEB CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 100129181 LRFMTNCHUNRFPD-UHFFFAOYSA-N 421.589 6.065 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 100212011 ZTBWZISBTPVKQT-ZVHZXABRSA-N 405.454 5.238 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1cccc(C(=O)O)c1 100260824 GXYCQEANCBYSPN-QLIPUSLZSA-N 422.437 5.018 30 40 HKEB CCCCCCCCCCCCc1cc(C)cc([C@H]2Nc3ccccc3S2)c1O 100291284 PACBIGNRUWABMA-SANMLTNESA-N 411.655 8.380 30 40 HKEB N#Cc1c(SCc2c(Cl)cccc2Cl)nsc1/C=C/Nc1ccccc1 100403908 AJOFUSIQLQUTSU-MDZDMXLPSA-N 418.374 6.697 30 40 HKEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl 100515462 RKHYYSYTNKAJQZ-GOSISDBHSA-N 422.352 5.551 30 40 HKEB CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1O 106838961 JHNQCHWDSOOPNR-MXAYSNPKSA-N 424.522 5.005 30 40 HKEB C=CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327348 VASWXCLPTFWZPR-UHFFFAOYSA-N 415.700 5.967 30 40 HKEB N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408590853 IMHPEYSLOYXMHF-LGJNPRDNSA-N 411.288 5.995 30 40 HKEB CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OCC 408735391 PJUZUZZLANCLHE-BOPFTXTBSA-N 405.313 5.576 30 40 HKEB C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 408937665 JIBQOJPJQVOUNL-REAXAJHASA-N 418.540 6.584 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4c(C)c4ccccc34)S2)cc1 408995799 DWEVXZDKEHJISA-BUVRLJJBSA-N 424.525 6.202 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S 409065274 IQFDBCQPAKVACJ-ATVHPVEESA-N 403.981 5.878 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409203769 YROXMELCCYALFX-LGJNPRDNSA-N 418.751 7.539 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409219120 NKIYLQPMKNURGF-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(Cl)c(C)c1 3640642 QUTXDJNVDXOKAP-XSFVSMFZSA-N 418.920 6.449 30 40 HKEB N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1Br 5395020 FLXQJRFEXSFDIX-UHFFFAOYSA-N 404.094 6.357 30 40 HKEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CC 5552131 PKWPZMFINBJVNP-QFGKFHJGSA-N 400.931 5.231 30 40 HKEB COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 5675513 CRYNLPLSVPQULL-OEAKJJBVSA-N 410.267 5.428 30 40 HKEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](c1ccccc1)c1ccc(F)cc1 14814170 QSWUVGMDXVCQKR-HSZRJFAPSA-N 407.876 5.011 30 40 HKEB COc1cc(OC)cc([C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)c1 20459348 YJFFLXRXAJPNAM-TZRRMPRUSA-N 413.521 5.482 30 40 HKEB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nc(C(C)(C)C)c(CCC#N)c1O 101609500 QDKGVATZDUHSAN-UHFFFAOYSA-N 410.562 5.228 30 40 HKEB CC(=NNc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 245231485 DMVDDXFIFIBCFN-UHFFFAOYSA-N 416.887 6.439 30 40 HKEB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 253497809 CNJPGFFQFAETRQ-JUOXFRPISA-N 410.985 6.226 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 253565861 IGNQGUSSZLCMBY-KSSVGNNISA-N 414.552 7.725 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(Br)c1 408776772 YVNKFURWSZLXRM-UUYOSTAYSA-N 412.287 5.824 30 40 HKEB COc1ccc(Cl)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 408980036 TVVBWOSMMMWVIL-AFUMVMLFSA-N 410.970 7.270 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 409209819 HKZXNVAMDCJZOW-MZJWZYIUSA-N 411.904 6.824 30 40 HKEB CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2)S/C1=N/c1ccc(F)cc1 409233813 HRUFQESEBMFWDW-DIRPYQRSSA-N 405.498 5.549 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccs1)Nc1ccc3ncccc3c12 1440476 PBYQJWUIZBBSHV-MRDQGFSESA-N 408.526 6.363 30 40 HKEB C/C(O)=N/c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 2250225 SPBWLYZWZBBJBX-QGZVFWFLSA-N 400.269 5.249 30 40 HKEB CCc1ccc(OCCCOc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 4603021 NSLDERFTCVRMJP-XIEYBQDHSA-N 419.481 5.451 30 40 HKEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c2ccccc2cc2ccccc12 4765275 JSKOVDOVOIURIQ-KNTRCKAVSA-N 414.504 7.468 30 40 HKEB CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1 5003045 MQGWPBOFGGSNAI-BEIQUOEZSA-N 409.580 5.769 30 40 HKEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 7427413 AGHKGTJACSLMHT-IBGZPJMESA-N 422.985 6.249 30 40 HKEB Fc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 9196948 VRBIHWBQZDLVQN-BRJLIKDPSA-N 403.284 5.835 30 40 HKEB C=CCSc1ccccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 15819148 DLRZXQPFNKHEHL-UHFFFAOYSA-N 408.523 5.330 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1F 16730213 VMNOTSMTELIBDS-UHFFFAOYSA-N 422.834 6.724 30 40 HKEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N[C@@H](C)c4ccccc4)o3)o2)c1 33027079 FJZJSJFCVVEZAE-SFHVURJKSA-N 413.477 6.175 30 40 HKEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)o1 59138448 UMZFAXDEYXYXHV-GDNBJRDFSA-N 408.310 5.078 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccccc1O 100854900 PYHYGDFUCWUCPG-UVHMKAGCSA-N 423.303 6.145 30 40 HKEB CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102634477 UFFPJNLAWXTYOJ-ZRGHVXQMSA-N 411.542 5.268 30 40 HKEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 102801073 OXRHTNKFQLHOGB-AYWGPLOBSA-N 405.538 5.812 30 40 HKEB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497866 VIELWYIXEODCTJ-NFRXGOHGSA-N 405.626 6.748 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409055049 HULMDSIQSAJODW-MHWRWJLKSA-N 405.306 5.070 30 40 HKEB CCOC(=O)c1c(/N=C/c2c(OC)ccc3ccc(OC)cc23)sc2c1CCCC2 409067829 ZSRKDMHIYYWPAS-AFUMVMLFSA-N 423.534 5.725 30 40 HKEB CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2ccc(C)cc2)cc1[N+](=O)[O-] 409117146 NHISLFULSQUCON-UCQKPKSFSA-N 405.479 5.763 30 40 HKEB O=C(c1ccc(Br)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242952 DLQRWBYCZLBVEK-UHFFFAOYSA-N 421.028 5.239 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc([N+](=O)[O-])ccc1O 808985 KOCKNURNEPJYQF-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1 1077594 KYWJHTLSRBWYHA-NFQMXDRXSA-N 410.517 5.983 30 40 HKEB FC(F)(F)c1cnc(-n2nccc2/C=N/OCc2ccc(Cl)cc2)c(Cl)c1 3134932 ODMYBIDQGUBJKY-YCPBAFNGSA-N 415.202 5.144 30 40 HKEB CCOc1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 4452505 IUFDVYMHARYTKO-VUTHCHCSSA-N 421.565 7.481 30 40 HKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 4740323 HXWFJLDEDOGQHX-YLLWSWKHSA-N 401.337 6.309 30 40 HKEB C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 4951280 DGSKIQFMHNWEFR-ZNMIVQPWSA-N 403.382 5.112 30 40 HKEB Cc1ccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1 8993100 MPWZQLCJDVRCPT-AFUMVMLFSA-N 409.485 5.990 30 40 HKEB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9019317 AGSCZHQIWJFNPZ-PKNBQFBNSA-N 419.820 6.664 30 40 HKEB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1sccc1C#N 9779723 CSIPBHFGECVWIV-LBPRGKRZSA-N 422.560 5.411 30 40 HKEB COc1cc(/C=C\C=C2/CC/C(=C\C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O 17255117 GYYPECSETJYYJN-IFVXQAMFSA-N 404.462 5.057 30 40 HKEB O=C(Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1 18255917 DKQFTLDLEBKKMC-UXNDTFEGSA-N 405.457 7.072 30 40 HKEB C/C(=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 27529296 BYRGZNMTUOQHKQ-WGOQTCKBSA-N 403.938 6.967 30 40 HKEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 33667187 UOMQQXMOOSSOBA-QFEZKATASA-N 408.885 5.217 30 40 HKEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2ccc(Cl)s2)on1 84609792 JWZMJYDJNGFEJU-UHFFFAOYSA-N 405.866 5.104 30 40 HKEB CCCCCCCCCCCCCCCCCC(=O)NC[C@H](C)c1ccccc1 100038031 RVZRCFDTNFWTPN-VWLOTQADSA-N 401.679 8.168 30 40 HKEB biogenic COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccc(Cl)cc3)c2C#N)cc1 100340802 LSPVWDPYRRGMBI-LQKURTRISA-N 412.876 6.898 30 40 HKEB Cc1n[nH]c(NC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)c1-c1ccc(Cl)cc1 101284019 OADRSFYWXVKADY-UHFFFAOYSA-N 423.875 5.189 30 40 HKEB CCCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 102568340 OFKCKQYWEABCJF-UHFFFAOYSA-N 420.391 6.097 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 118936453 DNHVTVKDKYLDFF-YLDDSUOUSA-N 400.647 6.808 30 40 HKEB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 408910120 WHSXIMWFPXRJJU-YXRZISRJSA-N 419.462 5.553 30 40 HKEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408935718 DMUHQKCHPGWGJW-XDHOZWIPSA-N 422.278 5.497 30 40 HKEB Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1N1CCCC1 2240638 GDKUEFUGSSOXMF-RGVLZGJSSA-N 424.136 5.268 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Br)s3)c2C#N)C1 3663119 FPUFNJCPPQXDCE-OHBSIKEHSA-N 407.402 6.345 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 8821215 LLQAOUQTVYILGM-GZTJUZNOSA-N 415.301 6.145 30 40 HKEB Clc1ccc(COc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)c(Cl)c1 12967319 YVHCMTAANUMOFS-WYMPLXKRSA-N 411.292 5.895 30 40 HKEB COc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 17014803 BPPYSRVWDWIMMZ-CQSZACIVSA-N 416.328 5.148 30 40 HKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1ccccc1 36533055 ABIMGBXCLCEBTA-VHEBQXMUSA-N 414.504 7.468 30 40 HKEB CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccccc1 50860210 XLQXUCGHJQUXRT-UHFFFAOYSA-N 424.592 7.183 30 40 HKEB O=C(/C=C/Nc1ccc(Cl)cc1)c1cccc(OCc2c(F)cccc2Cl)c1 100418378 DHPFEEMSEVWDPJ-VAWYXSNFSA-N 416.279 6.520 30 40 HKEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl 102607444 OJNYSAUZUWENQY-MRJHHRETSA-N 421.855 5.414 30 40 HKEB CCCCCCCCCSc1nc2ccc(NC(=O)/C=C\C(=O)O)cc2s1 104213344 QEAULBJDKRPYHH-QXMHVHEDSA-N 406.573 5.718 30 40 HKEB O=C1c2ccccc2C(=O)C1/C(=N/c1ccccc1Br)c1ccccc1 104223495 AJRVZPMNWRJKBK-HIXSDJFHSA-N 404.263 5.265 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)c1 141445328 ONNUMUYAZDXYNY-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253501285 KHWMMNOVUASODC-SZGVFPSQSA-N 419.609 5.639 30 40 HKEB COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408623825 SGZYZWZNMNCFDB-FMIVXFBMSA-N 413.300 6.477 30 40 HKEB COc1ccc2c(c1)-c1nc(/N=C/c3c(OC)ccc4ccccc34)sc1CC2 408721967 BTHSTLIKEOVRLY-AFUMVMLFSA-N 400.503 5.830 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1O 408723146 QQYKCPSCLOVKSV-AFUMVMLFSA-N 420.921 6.595 30 40 HKEB CCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 408890354 RTDKZYDAHUVYTN-UHFFFAOYSA-N 416.565 5.634 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)nc1 408908913 DZOGEAWRSHNEBE-RMORIDSASA-N 417.252 5.322 30 40 HKEB Brc1cccc(-n2cccc2/C=N\c2ccccc2Br)c1 409011901 OZXXFIGSSLMWST-NDENLUEZSA-N 404.105 5.753 30 40 HKEB N#Cc1c(NS(=O)(=O)c2cccc3cccc(Cl)c23)sc2c1CCCC2 409125760 AVANHWYYKXFIIC-UHFFFAOYSA-N 402.928 5.106 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 409207902 CIXWNECKRXXVLI-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409209947 IQXICCWNMSEQMB-CVKSISIWSA-N 406.913 5.979 30 40 HKEB Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409212542 QOWHRYGBWVHYRA-LGJNPRDNSA-N 414.383 6.773 30 40 HKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2 815823 SJOZXNWNNQBJCH-OYLFLEFRSA-N 402.519 5.736 30 40 HKEB C#CCn1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 3135118 HQNVXIWYJVMYFP-UHFFFAOYSA-N 414.961 6.796 30 40 HKEB O=C1/C(=C/c2cccc(F)c2)S[C@H]2c3ccccc3C(=O)N2Cc2sccc21 4108861 BUKSIAVMUUFROA-OAIBDCNXSA-N 407.491 5.512 30 40 HKEB CCc1cccc(C)c1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 4848979 ZPHLTAVVZBMVCM-UHFFFAOYSA-N 403.551 5.832 30 40 HKEB CO/N=C(\C)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 5184331 ASYLHCFMWOGHGS-RDRPBHBLSA-N 416.565 5.780 30 40 HKEB COc1ccc([C@H]2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc1 5757466 SEKSEGCZJSHSEM-QFIPXVFZSA-N 402.519 5.333 30 40 HKEB Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccc(C(C)C)cc1 8559404 CWCWYRXYFJQARK-QUGAMOGWSA-N 411.549 6.250 30 40 HKEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cc(Cl)ccc1Cl 8783535 VAJGTBGZQGBIDU-UHFFFAOYSA-N 414.317 5.658 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccccc3Cl)ccc21 9052416 VAYDDHQMHPHVLT-YVNNLAQVSA-N 406.821 5.264 30 40 HKEB COC(=O)c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 9195573 JLIDJZHFPYJZGK-FOKLQQMPSA-N 403.265 5.164 30 40 HKEB c1ccc(N/N=C(/CC/C(=N\Nc2ccccc2)c2ccccc2)c2ccccc2)cc1 16956048 WAOIKDOFYYWWJO-GYNJYFOTSA-N 418.544 6.799 30 40 HKEB COC(=O)c1cc(OC)cc(C)c1O/C(=N/c1cccc(Cl)c1C)c1ccccc1 18101871 JNLAICWQKBNMEL-WNAAXNPUSA-N 423.896 5.909 30 40 HKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)c(OC)c1 19820492 QNEGAOCOQDYROQ-UHFFFAOYSA-N 412.902 5.151 30 40 HKEB CCc1ccc2nc(NCCCNC(=S)Nc3cc(C)cc(C)c3)c(C#N)cc2c1 35311743 NKJOUEWGFRKXLT-UHFFFAOYSA-N 417.582 5.074 30 40 HKEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2cccc(Oc3ncccn3)c2)c1 95478451 VUEJVLJXLLELFI-LDADJPATSA-N 404.451 5.009 30 40 HKEB Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C 100265487 CNZSXSSKVWGQRQ-SXZIKPQKSA-N 411.546 5.718 30 40 HKEB C=CCN(C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccccc1 104768532 HCNPTDFZPRJMBS-UHFFFAOYSA-N 410.502 5.621 30 40 HKEB CCCCCCCc1c(C)nc(SCc2cc([N+](=O)[O-])ccc2OCC)nc1O 105917198 YMXJQLCKYYTSMN-UHFFFAOYSA-N 419.547 5.603 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1C 408878136 WUMBFJBEHMJIRC-VUWMNBKMSA-N 420.578 6.186 30 40 HKEB Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1I 408905436 YMYFNJATZASESB-KGENOOAVSA-N 414.246 5.169 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 409203772 YRPYKLQMPODLBB-HZHRSRAPSA-N 415.898 5.257 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409216493 LXWUMICNJQXAJO-AFUMVMLFSA-N 409.869 5.767 30 40 HKEB CC[C@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 409244106 XSGSLEXRJMFBTG-OMBDHMDGSA-N 423.969 6.466 30 40 HKEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409295681 FXIOUDKEOHZJHD-UHFFFAOYSA-N 424.751 5.054 30 40 HKEB CCCCCCCCn1c(NCc2cc(Cl)cc(Cl)c2O)nc2ccccc21 1834174 ACANJQDGNANEMR-UHFFFAOYSA-N 420.384 7.021 30 40 HKEB O=C1C=CC2=N[C@@]3(c4ccccc4)C[C@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 2273168 QWNGNSVEQORLJT-BTYSJIOQSA-N 414.508 5.847 30 40 HKEB CN(C)/C=C/C(=O)/C=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3048741 AKGDHHBUYRRFHS-XBLVEGMJSA-N 419.834 5.355 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1C 3087845 NRRKQMVOHDNJPD-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB CCn1ncc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C 4178699 HYWJWQQIDDGRNG-NHPJUZASSA-N 404.558 5.248 30 40 HKEB C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C/c1ccc(-c2ccccc2)o1 4719573 LMJBAFBJSQSOCM-KGPJOIRKSA-N 415.518 5.009 30 40 HKEB CN(Cc1ccccc1)c1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N 12418863 CBZJUXGFPDMLKT-UHFFFAOYSA-N 419.868 5.675 30 40 HKEB Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 13552724 UPFGHIIEFMGXHU-QKKBWIMNSA-N 424.859 5.439 30 40 HKEB CCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc1 59608444 HSESQHRSURUNDL-UHFFFAOYSA-N 404.506 6.628 30 40 HKEB Cc1ccc(C2=NOC(=O)/C2=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 100136317 XJVIZTHHRXOUAH-HYARGMPZSA-N 403.865 5.572 30 40 HKEB CCCCCCCCCCCC(=O)OC1=C(c2ccccc2)C(=O)c2ccccc21 103000277 IPCYWQGZIIRBAP-UHFFFAOYSA-N 404.550 7.215 30 40 HKEB CCCCCCCCCC[C@H](C[N+](C)(C)Cc1ccccc1)[C@H](O)c1ccccc1 104333508 JSGIDDVOFJXXTI-VSGBNLITSA-N 410.666 7.144 30 40 HKEB COc1ccc(-c2oc(/N=C/c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 111916238 BPGXHGICGBZXIU-STBIYBPSSA-N 422.484 6.562 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1c(C)cccc1C 408905704 CQYFVYLCVWKYKQ-IKMQVZDESA-N 422.594 6.368 30 40 HKEB O=C1/C(=C/c2ccc(Cl)s2)S/C(=N\C2CCCCC2)N1C1CCCCC1 408964629 DWFAQBSMAJJXDK-PJICLEDRSA-N 409.020 6.339 30 40 HKEB CC(=O)c1ccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 409041792 JUGZBYNFAHTSQK-WMDMUMDLSA-N 423.332 5.011 30 40 HKEB CCOc1ccc2ccc(OCC)c(/C=N/n3c(S)nnc3-c3ccccc3)c2c1 409056690 SRHCHVPQMJEGNE-BUVRLJJBSA-N 418.522 5.067 30 40 HKEB Cc1ccc(-n2cccc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409075876 UXZAFUPXDNRTBF-WYMPLXKRSA-N 402.376 5.467 30 40 HKEB C#CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 409089057 HBYVJGKETRJVEO-CUHSDLGESA-N 410.498 5.507 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 409136933 UBLFOLGDYZMKRP-YZSQISJMSA-N 406.457 5.214 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409199947 FYBUERFKMOOJJK-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 409202061 OLFKFXSXJBSBDK-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(C(=O)O)c3)o2)c(Br)c1 409245967 BREOIWJBLPNAKB-YVNNLAQVSA-N 418.674 6.120 30 40 HKEB C[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2 2072915 BLTGNXYRKADYAR-GOSISDBHSA-N 410.583 6.245 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\C(Br)=C\c1ccccc1 2340259 BMKJGUSHJUERCD-OUJXGQAASA-N 419.735 5.157 30 40 HKEB O=C(CO/N=C/c1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 2616183 ATTDBYRJIQZXEY-AFUMVMLFSA-N 413.304 5.250 30 40 HKEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 6813242 YYLIGNJEXNIHPT-NLFFAJNJSA-N 417.508 5.690 30 40 HKEB Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 10118945 SDYKCSQKLRKLBW-BRJLIKDPSA-N 406.744 6.178 30 40 HKEB N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1cccs1)CCC2 12428393 GZSOQTCOKDNFNX-UHFFFAOYSA-N 400.931 6.255 30 40 HKEB CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 18143009 SOGANZAFQORHIT-AZPGRJICSA-N 423.516 5.415 30 40 HKEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 102958589 IMEZYAPHVFZHTJ-AGHKFTSRSA-N 415.518 5.160 30 40 HKEB COc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1 254870060 UTROQYQKNNCTMF-UHFFFAOYSA-N 420.512 6.872 30 40 HKEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408870062 RRZKWODLSOHPPY-BIFPGVLTSA-N 423.557 5.828 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409085781 DICBMNVTBGUOBZ-UNOMPAQXSA-N 407.828 5.403 30 40 HKEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409090383 PGCQYDYKNDVQBJ-QCECIIMLSA-N 418.566 5.512 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O 409125070 MKGLGKLDKITDKN-KQWNVCNZSA-N 418.562 5.811 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409199868 FBMDGUIRQDOKDU-VULFUBBASA-N 422.912 5.734 30 40 HKEB CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(C(=O)O)cc1 409210652 LUILUHWLRLOFDE-MFKUBSTISA-N 405.450 5.122 30 40 HKEB Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409213479 VYVGQQYLMOYVSI-ROTLSHHCSA-N 404.724 7.285 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409215161 XPLMLWYXSLSCDI-MFKUBSTISA-N 424.338 6.486 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)C)cc1 997697 IEYJYRCXCDUMSQ-RUZDIDTESA-N 418.537 5.637 30 40 HKEB Cc1ccc(NC(=O)CCCC(=O)[C@H](C#N)c2c(Cl)cccc2Cl)cc1C 1613969 LHYHSUPHYHMEGW-INIZCTEOSA-N 403.309 5.596 30 40 HKEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 2300251 WTUVDBVCRJLQQI-NDENLUEZSA-N 419.462 5.363 30 40 HKEB CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1sc2c(c1C#N)CCCC2 3664968 KHSKZPANLFHTBL-HNNXBMFYSA-N 413.593 5.618 30 40 HKEB CCc1nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c2c1CCCC2 5737384 XJMUORALMUVQHV-UHFFFAOYSA-N 405.350 5.676 30 40 HKEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O 8790468 XJCFVHQRPKCYFF-IPZBLWQDSA-N 422.480 6.102 30 40 HKEB biogenic COc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 9034204 FWJUZEWJJQXVSJ-DHRITJCHSA-N 423.303 6.058 30 40 HKEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 9272205 KKMNODUYWOXFOH-NRFANRHFSA-N 421.855 5.570 30 40 HKEB COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 10119046 SIRXORNDASBGBS-VULFUBBASA-N 415.320 5.705 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 13940996 UHMCMLYKVKJYLU-ZSICUCBDSA-N 408.523 5.221 30 40 HKEB CCCNc1c(N/C(O)=N/c2ccccc2C(F)(F)F)c(=O)oc2ccccc12 28048824 ARYNNZVAWJBJIC-UHFFFAOYSA-N 405.376 5.291 30 40 HKEB CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 35288919 LZKAHGOTIVMZLI-UHFFFAOYSA-N 403.507 5.163 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc12 97952652 VYDQOMWDUCKNFD-UHFFFAOYSA-N 410.562 5.874 30 40 HKEB C=CCOC(=O)Nc1ccc2nc3ccc(NC(=O)OCC=C)cc3c(Cl)c2c1 98088256 IVXZUHGHUQIDTK-UHFFFAOYSA-N 411.845 5.510 30 40 HKEB in-vitro C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)SC1=S 208326539 FYLRIVNTJBCITK-VUFYJBQKSA-N 400.613 5.494 30 40 HKEB Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408589116 DBNQUMOBLCCRLN-JFLMPSFJSA-N 424.460 5.329 30 40 HKEB CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 408783050 MRMMZVAMPUNYSU-PKAZHMFMSA-N 418.562 5.706 30 40 HKEB CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 408894179 DYBOSGCRIRYBTF-UHFFFAOYSA-N 421.581 5.791 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(Cc2ccccc2)C1=O 408914966 OMGWSQSRVLFPNM-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccc(Cl)cc1 408974361 FHFMNFHANYEFFW-RWPZCVJISA-N 417.295 7.543 30 40 HKEB C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1O 409216506 IRHDNBCJEXJBBJ-HSOLMKNUSA-N 408.567 5.964 30 40 HKEB COc1ccc(/C=N/c2cccc(/N=C/c3ccc(OC)c(OC)c3)c2)cc1OC 1445132 KGKRASAYEXDVRG-RYQLWAFASA-N 404.466 5.222 30 40 HKEB O=S(=O)(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 3016802 MOWLIPYDMYGMLB-OEAKJJBVSA-N 410.882 5.066 30 40 HKEB CC1(C)C[C@H]2C[C@](C)(CN2/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 3172034 AWSVALBOQMCMAS-DZCBPQPSSA-N 423.560 7.046 30 40 HKEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Cl)c(Cl)c1 4740377 NLIFPNPCCRCMKI-YLLWSWKHSA-N 417.336 6.145 30 40 HKEB CC/C(C)=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 4844282 ZRTBQIULPYUWAF-FFGRAEKCSA-N 422.598 5.796 30 40 HKEB CCCCCCNC1=C(/C(CCC)=N/OCC)C(=O)C[C@H](C[C@H](C)SCC)C1 5026711 BQKRKHUYPYBPNE-LPYSEFIKSA-N 410.668 6.114 30 40 HKEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 5400322 GMOGHHFALUIZJL-ZMOGYAJESA-N 406.873 5.250 30 40 HKEB C=CCn1c(SCc2c(F)cccc2Cl)nnc1[C@H]1COc2ccccc2O1 9154207 QRAIZOGKILVXHV-GOSISDBHSA-N 417.893 5.061 30 40 HKEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(Oc3ccccc3)c1)n1ncnc1N2 9484293 MHAAGPXGDFZURR-OSPHWJPCSA-N 424.460 5.079 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 12655584 SNOJHUGTPWMMOU-WCYRKSIYSA-N 408.501 5.196 30 40 HKEB biogenic C=CCn1c(SCc2coc(-c3cccs3)n2)nc2cc(Cl)ccc2c1=O 12700573 SABARIMTRVAWPD-UHFFFAOYSA-N 415.927 5.245 30 40 HKEB CCn1c2ccccc2c2cc(/C=N\Nc3cc(C)nc4cc5c(cc34)OCO5)ccc21 31769281 ZXPGMLVLRGBYBF-VYYCAZPPSA-N 422.488 5.846 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 59247733 SPSOIOSUMLGJMU-BHGWPJFGSA-N 410.857 5.203 30 40 HKEB COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1OCc1ccccc1F 100384173 JVZVHHGLWKGKGC-WPWMEQJKSA-N 420.484 5.001 30 40 HKEB CCCCCCCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 102875537 FDCHVYXPSHPEHX-UHFFFAOYSA-N 424.516 5.849 30 40 HKEB CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 103862344 VAKOUGHITSTNND-PLRJNAJWSA-N 418.577 7.531 30 40 HKEB Cc1ccccc1NN=C(c1nc2ccccc2s1)c1nc2ccccc2s1 107422860 QJSKGNZQIAMODJ-UHFFFAOYSA-N 400.532 6.079 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OC)cc3C)S2)cc1 408950156 DRLROQASBKTANC-FYJGNVAPSA-N 410.539 5.417 30 40 HKEB Fc1ccccc1COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409038971 WHUDDXSBYZWQAP-JQAMDZJQSA-N 412.280 5.119 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 409121094 YFCAGQMIUVLUPI-UHFFFAOYSA-N 421.968 6.885 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409324050 QYEWIKUOADPXHO-HOKHOHGVSA-N 410.315 5.220 30 40 HKEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 2270563 YQXWKAXAEJDEGL-INIZCTEOSA-N 424.635 6.185 30 40 HKEB CC[C@H](C)Oc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O 4526070 LCMFHQBGNUPBCX-ICRDQPGQSA-N 410.539 5.114 30 40 HKEB COc1ccc2c3c(ccc2c1)[C@H]1C/C(=C(/OC(C)=O)C(F)(F)F)C(=O)[C@@]1(C)CC3 8615163 YIODTVGTQJKFMM-DSUXPKEZSA-N 418.411 5.237 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccccc1 8844510 QYNZCWWUOWVZKC-UHFFFAOYSA-N 405.841 5.651 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2c(Cl)cccc2Cl)cc1 12463632 JETHSXMWVXMJRE-JJFYIABZSA-N 405.354 6.094 30 40 HKEB Cc1ccc(/N=C2\SCCCN2C(=O)C2CCC(C(C)(C)C)CC2)cc1Cl 12542271 QKSCDQFZRHTCLX-FLFQWRMESA-N 407.023 6.454 30 40 HKEB O=C1C[C@H](c2ccccc2)CC(Nc2ccc(I)cc2)=C1Cl 14007960 YLDNKKBSXRJEBF-CYBMUJFWSA-N 423.681 5.300 30 40 HKEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3Cl)cs1)C(=O)N2 17090988 QXPBYLLOTUNZAA-UHFFFAOYSA-N 417.321 5.448 30 40 HKEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 17886509 XSEJBLLVAZWZII-WYMPLXKRSA-N 405.479 6.034 30 40 HKEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 30940728 GBHCUDACANGHNF-UHFFFAOYSA-N 419.352 5.409 30 40 HKEB CCOc1ccc2c(c1)C(=O)/C(=C\NCCC(c1ccccc1)c1ccccc1)S2 100479071 BFXHRBPEMXFLGK-XIEYBQDHSA-N 415.558 6.027 30 40 HKEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\C2CCCCC2)cc1 101377422 VEGADIJHETUOQY-DRSALWLGSA-N 407.602 5.488 30 40 HKEB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757633 QKOTVDLDTOZQBD-UHFFFAOYSA-N 407.470 5.096 30 40 HKEB Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Br)cc1 408594151 SODFOPYOJMGRQC-CFRMEGHHSA-N 408.299 5.279 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(C)cc1 409112251 KXPIMMXAGREXEI-UHFFFAOYSA-N 401.550 6.622 30 40 HKEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)c1 409209025 FFAPWXFWJTVHCK-VULFUBBASA-N 406.913 6.033 30 40 HKEB CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1O 409247128 BHFXHOQCEXXOKU-ZXMQTSGQSA-N 420.893 5.207 30 40 HKEB CCn1c(C)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531384620 JFIUJHAKKWXWAT-WPWMEQJKSA-N 406.489 5.229 30 40 HKEB CCOc1ccc(-c2nc3cc(/N=C/c4cccc(OCC)c4O)ccc3o2)cc1 868969 XLDCNNADZIVKSP-MFKUBSTISA-N 402.450 5.748 30 40 HKEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 2327193 LTTPRIYSOIKIOA-ZVHZXABRSA-N 420.925 5.348 30 40 HKEB COc1ccccc1[C@H](CC/N=C/c1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 3999412 SLTNOYPJAFPNDM-RHDSOKEFSA-N 408.586 5.559 30 40 HKEB biogenic Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccnc1 4663231 DPWVFUHGMNREHF-WWTGGXICSA-N 416.594 6.324 30 40 HKEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 4674659 KKDSHLPADZBUMV-UDWIEESQSA-N 408.910 5.565 30 40 HKEB CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(C)c4O)cc3)nc2c1 6440192 OKPTZCQVRDETFD-PJAVDKHJSA-N 418.924 7.426 30 40 HKEB CCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 6891045 KUGPUWFAQLLUQJ-WGOQTCKBSA-N 407.897 5.954 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1CSCC(=O)O 12797891 MLKOILGLTXRFBD-UKTHLTGXSA-N 418.514 5.576 30 40 HKEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1OC 20196184 ZFOLQGUDVPNKGN-OGLMXYFKSA-N 413.521 5.388 30 40 HKEB COc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC 50647525 FPROBZJQYWPYEV-UYRXBGFRSA-N 423.472 5.485 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)c(C)c1 59137115 WENQYUKDWUIFRO-XKZIYDEJSA-N 419.525 5.742 30 40 HKEB CCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCC)cc2)cc1 100073794 VDTCVKLVMVTSMC-UHFFFAOYSA-N 412.570 7.214 30 40 HKEB O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccsc3)S/C2=N\c2ccccc2)cc1 100236554 BPUJHKCTJPJTMI-WXUMLGSOSA-N 420.515 5.251 30 40 HKEB NC1=C(c2nc3ccccc3s2)C(=O)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 102236358 JTEWQNUZFGQSQY-HXUWFJFHSA-N 417.921 5.408 30 40 HKEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 226334906 KVWSISAGBJTUFK-ACCUITESSA-N 421.290 5.371 30 40 HKEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC 408605485 HJMYHZGKDXXBFR-UHFFFAOYSA-N 408.723 5.434 30 40 HKEB CCCCCCCOc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 408736975 FLMGCWFVGIQXOK-KOEQRZSOSA-N 407.583 6.914 30 40 HKEB Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C#N)c1C 408955176 OEGCONOQOKPTNX-ZVBGSRNCSA-N 414.215 5.449 30 40 HKEB C=CCOc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409030941 FUDMWBAEYUAJSM-TXNBCWFRSA-N 413.120 5.272 30 40 HKEB COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409212115 OYYXPVUQXIXPGT-ZMOGYAJESA-N 410.857 5.895 30 40 HKEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1ccccc1N2 1457504 VVKGJJQYQJVWQD-GKVSMKOHSA-N 416.908 6.025 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F 2055366 WZEJBSSGRVQZPZ-LJQANCHMSA-N 421.459 5.263 30 40 HKEB Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 3168147 NJJSMJYHRJJOJP-LQKURTRISA-N 413.904 7.080 30 40 HKEB Cc1ccccc1OCCn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 4083382 LIXFOCSNQOXZHF-PCLIKHOPSA-N 414.465 5.383 30 40 HKEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/Nc1nc(-c3ccc(-c4ccccc4)cc3)cs1)C2 5705976 ZZCMYMJPBRHXIB-LURZJLDVSA-N 401.579 7.091 30 40 HKEB C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1occc1C 6602899 CRYJXPAXLMWVTI-HNNXBMFYSA-N 406.511 5.186 30 40 HKEB ClC(=C\c1ccccc1)/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 19809097 FJAHAMZVQINZKB-GRJNBTBRSA-N 413.952 5.640 30 40 HKEB CSc1nc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820486 PACXCAWYEBLFCJ-UHFFFAOYSA-N 421.740 6.441 30 40 HKEB C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc(-c2ccccc2)cs1 36398320 VYCIZXUZUPXEDK-UHFFFAOYSA-N 400.507 5.203 30 40 HKEB Clc1ccc(-c2csc(N/N=C/c3ccccc3OCc3ccccc3)n2)cc1 59387397 TUFPBKQEBKYUDO-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccccc3OCc3ccccc3)C2=O)s1 107635049 IBNZORNCZRWCBU-NCNVOFJUSA-N 421.547 5.097 30 40 HKEB C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1c(Cl)cccc1Cl)[Si](C)(C)C 196178981 DJNZDWQZXDVNTE-FXBPSFAMSA-N 405.517 6.976 30 40 HKEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc21 198151024 JUVWFIXZYMPQQG-RDRPBHBLSA-N 410.561 7.478 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1Cl 408737360 CNGGYPADIPFVBF-GRSHGNNSSA-N 400.931 5.575 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)c1 408767439 XQJDFWNPXDEXJD-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1 408907717 CHAYSCBSNPPVJX-KWPJTZOTSA-N 412.558 6.150 30 40 HKEB CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O 408910899 MDWVPRLCQTUMPK-OQNHBUHUSA-N 416.546 6.171 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1C 408916024 TULQJJQFYXJXPO-CUNGHOPLSA-N 401.329 5.245 30 40 HKEB CCOc1ccccc1/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408967477 SFTRTWCMVXYQSO-MYYYXRDXSA-N 405.450 5.122 30 40 HKEB C#CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br 409120696 VSVZZTUEBSYBEQ-UHFFFAOYSA-N 423.148 5.453 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409203329 WLEYGMYKQNHLDN-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB CCN(CC)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409384468 CMCDDZPVNHUTOM-MFKUBSTISA-N 422.481 5.162 30 40 HKEB COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc12 672058 KPLVDNHUTFVJOO-XIEYBQDHSA-N 422.550 5.164 30 40 HKEB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O 780235 XWEUNXNOTUXDHV-UHFFFAOYSA-N 407.554 5.488 30 40 HKEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(Br)cc3)c3n2CCCCC3)cc1 1994067 OUTDSDFKMQFDBT-UHFFFAOYSA-N 424.362 5.123 30 40 HKEB C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 2309140 MIMQZCHVTMZCOA-KRWDZBQOSA-N 420.644 5.804 30 40 HKEB N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 3009600 MKLDCLHSMMTLPU-UHFFFAOYSA-N 419.436 5.801 30 40 HKEB Clc1cccc(-c2cs/c(=N\CCc3ccccc3)n2/N=C/c2ccccn2)c1 3304787 PPJTZDLFRCLUSP-AQLJARLFSA-N 418.953 5.291 30 40 HKEB C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 4369750 MNGYOFNIAOWXIT-KUZKVMKQSA-N 424.537 5.512 30 40 HKEB biogenic,in-vitro CCCC/C=C/CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O 8382368 UEFNZITZGVWLFK-VOTSOKGWSA-N 418.618 7.600 30 40 HKEB biogenic,in-vitro Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 8934330 NELIUQGJPNBPRN-UHFFFAOYSA-N 413.296 5.259 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 9422587 NKQOQXPMQNBJFH-MRXNPFEDSA-N 418.528 6.458 30 40 HKEB CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\C(=O)c1oc2ccccc2c1C 13684152 VVSBIGAAVCDIIT-UHFFFAOYSA-N 417.465 5.045 30 40 HKEB Cc1ccc(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)o1 13758472 TVCAIRLYOSFDMG-JMIUGGIZSA-N 401.245 6.090 30 40 HKEB CCOC(=O)Nc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccc(C)cc1 16751454 FFBWXURBAFPACB-ZREQCHBWSA-N 406.511 5.798 30 40 HKEB Cc1ccccc1NC[C@@H](C#N)c1cc(Br)ccc1OCc1ccccc1 26895930 UQYBHSJGOQIQEX-LJQANCHMSA-N 421.338 6.056 30 40 HKEB C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1ccc(OCC)cc1 27016011 WSOIZLDCPYDOFF-IZHYLOQSSA-N 421.566 5.691 30 40 HKEB Cc1cc(OCc2ccccc2)c(C(=O)/C=C\c2cnn(-c3ccccc3)n2)cc1C 31841293 OIKQIGSUHDHKSW-YPKPFQOOSA-N 409.489 5.359 30 40 HKEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1Cl)N1CCCCCC1 35672596 WOGDZFPXFNNKTE-NRFANRHFSA-N 421.932 5.291 30 40 HKEB Cc1onc(-c2ccccc2)c1C(=O)N1/C(=N\Cc2ccccc2)SCC1(C)C 105085859 HXYKXOWOHNGJCM-ZNTNEXAZSA-N 405.523 5.174 30 40 HKEB CCC(=O)Nc1cccc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 108270512 FXDVCRRMWKWKJK-NRFANRHFSA-N 417.896 5.596 30 40 HKEB CCCCCCCCCCCCNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 136064745 CTBUHQUHKIXZLZ-UHFFFAOYSA-N 414.590 5.768 30 40 HKEB Cc1ccc(/N=C2\S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 208975592 MKUYGUGUOJICCQ-SHSCQTOKSA-N 418.949 6.765 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1Cl 408561950 LXXPICVBKLHTGU-UHFFFAOYSA-N 406.983 5.361 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 408759934 OMAJXBSSGCETJF-UNOMPAQXSA-N 410.882 5.500 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1C1CCCCC1 408913700 RIKCEEKEAVBTRX-IPLYMLRXSA-N 424.997 6.839 30 40 HKEB CCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc23)S/C1=N\c1ccc(C)cc1 408914076 SJPIEFRHJUNHSB-OQNHBUHUSA-N 416.546 6.171 30 40 HKEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1Cl 408950566 TXAQKOJMMLOYIT-BHGWPJFGSA-N 417.292 5.858 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(Cl)cc1 409010371 KEBIQQXQEGKQHQ-MPZUNYIRSA-N 412.873 5.973 30 40 HKEB Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 409200210 GZZWBZAMRGXVQV-ZMOGYAJESA-N 414.730 6.741 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)cc1OC 409381894 XBVKZXYUEIIJFN-AXNZHVIBSA-N 423.940 7.377 30 40 HKEB Cc1ccc(C/N=C2/NCCCCCCOc3ccccc3Oc3ncccc32)cc1 643570641 MATJBXQSRYJYOF-UHFFFAOYSA-N 415.537 5.672 30 40 HKEB O=[N+]([O-])c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1565673175 LEGUYDZCVMNTLP-UHFFFAOYSA-N 421.162 5.077 30 40 HKEB Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3sccn23)c(Cl)c1 3029485 FKGSSWUXTZESRV-SSDVNMTOSA-N 402.306 5.920 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@H]2c1cc(Cl)ccc1O 5482202 NIFRTLNJYXMLOL-DEOSSOPVSA-N 403.909 6.508 30 40 HKEB O=C(Nc1cc(Cl)c(/N=C/c2ccc(O)cc2O)cc1Cl)c1ccccc1 5515611 DHVUKWNQPBILPH-FOKLQQMPSA-N 401.249 5.408 30 40 HKEB Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1 6613816 GBQQMQZAEQBSKS-UHFFFAOYSA-N 402.416 6.379 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 6813206 YYLIGNJEXNIHPT-NBGIEHNGSA-N 417.508 5.690 30 40 HKEB Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCN3CCOCC3)n2)cc1 19882678 BUFNBMVRTGWUGA-UHFFFAOYSA-N 415.562 5.020 30 40 HKEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2F)cc1 33369969 WTIOEHOIMDOTBI-KGENOOAVSA-N 404.466 5.296 30 40 HKEB Cc1ccc2oc(-c3ccc(C)c(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 100503088 AHUDTIXONLYRJY-WYMPLXKRSA-N 405.841 6.424 30 40 HKEB CCn1c2ccccc2c2cc(/N=C/c3ccc(OC(=O)c4ccco4)cc3)ccc21 102946843 NMDKHECYFBUYHC-WPWMEQJKSA-N 408.457 6.377 30 40 HKEB CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1Br 408605638 YLPFKSAZMRMWPK-KSEXSDGBSA-N 417.372 6.046 30 40 HKEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OCC 408877034 SKWDMVUVVSJULS-UNOMPAQXSA-N 416.930 5.337 30 40 HKEB C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 408884441 UKKKCPOJZUWBCQ-FNWWWWEASA-N 402.563 6.426 30 40 HKEB Cc1ccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c(C)c1 409387362 VXTDFEHMNAAKRV-MXAYSNPKSA-N 406.551 6.100 30 40 HKEB Cc1cc(C)cc(C#C/C=C/c2cc3c(-c4ccccc4)cccc3c3ccccc23)c1 2077649 FXWSZGKVNFBGIL-VGOFMYFVSA-N 408.544 8.342 30 40 HKEB O=C1C=CC2=N[C@]3(c4ccccc4)C[C@@H](c4ccccc4)C=C(c4ccccc4)N3C2=C1 2273167 QWNGNSVEQORLJT-MUAVYFROSA-N 414.508 5.847 30 40 HKEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1 2784333 YSUBIOIMOXDQEK-HSZRJFAPSA-N 424.585 5.090 30 40 HKEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccc(Cl)cc2)c1C#N 4087314 GNGPNHSOTDXVJD-UHFFFAOYSA-N 410.882 5.153 30 40 HKEB CCCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(OCCC)c1 5591300 COSKMFSTXXRLCX-NHFJDJAPSA-N 402.538 6.305 30 40 HKEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(Cl)s1 8473868 MRYCHEFOUWWUBX-GFCCVEGCSA-N 407.992 5.063 30 40 HKEB Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1Br 10118820 FREIADHGIVTOPJ-FSJBWODESA-N 403.707 5.795 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1cc2c(cc1Cl)OCO2 12428257 WNSOEWICVZKKNU-QHVLENNUSA-N 414.664 5.090 30 40 HKEB COc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 14163735 HOVXOXFKGDFUPX-BSEYFRJRSA-N 417.484 5.274 30 40 HKEB C=CCn1c(-c2ccccc2OC)nn(CN2CCC[C@H]2c2ccccc2)c1=S 14308308 KHLMDGJDJVNHIP-FQEVSTJZSA-N 406.555 5.070 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1Cl 17023386 JFMFYNBZOCFDMG-BRJLIKDPSA-N 418.707 6.925 30 40 HKEB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@@]21C 36371217 HEWXCDIWMWJHEW-LZGZPNGRSA-N 424.717 8.531 30 40 HKEB CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 36619589 NTWGOOVKOLVKLF-BIEPANJSSA-N 404.558 5.330 30 40 HKEB CCCCCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 102568176 NABIKCQDEIZGTH-UHFFFAOYSA-N 407.957 6.517 30 40 HKEB O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 409099545 UCRRPWVROYIOCW-VAWYXSNFSA-N 418.707 7.248 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)cc1 409190634 UCFLRWFSOBDXBM-ZVHZXABRSA-N 411.343 6.314 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 409202721 UJDDUJRBUDUDLJ-VULFUBBASA-N 413.876 6.216 30 40 HKEB Fc1cnc(Nc2cccc(C(F)(F)F)c2)nc1Nc1cccc(C(F)(F)F)c1 15018854 OXFHBZIEUCDPPL-UHFFFAOYSA-N 416.300 6.141 30 40 HKEB O=C(NC1CCCCC1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 18068509 XZHMQBVGWBTQQE-ZMOGYAJESA-N 410.539 5.169 30 40 HKEB C=CC[C@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC 34760478 HVPBKNGELBSKCN-MRXNPFEDSA-N 409.341 5.014 30 40 HKEB Fc1ccc(C(F)(F)F)cc1/C=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl 66088701 PUYRWRFRFHWGMR-KXEZBXAJSA-N 419.127 6.616 30 40 HKEB CCCCCCCCC(=O)OC[C@@H](C)OC[C@@H](C)OC(=O)CCCCCCCC 100050298 FJSNTQXNQNSZJS-FGZHOGPDSA-N 414.627 6.368 30 40 HKEB Cc1ccc(/C(=N/Nc2nc3ccccc3s2)C2=C(O)c3ccccc3C2=O)cc1 100816331 GCCMDXKKILJDQV-QLYXXIJNSA-N 411.486 5.587 30 40 HKEB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 123273473 RMPBPYUUPCZMPN-NQIFKBIZSA-N 414.674 6.670 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)c2ccccc12 408911306 MVTLRBOHCGJIOQ-OQNHBUHUSA-N 416.546 6.171 30 40 HKEB COCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 408934803 MOCIDUYWYFQTCE-VULXNXEXSA-N 404.894 5.120 30 40 HKEB Cc1ccc(-c2nc(N/N=C/c3ccc(C)o3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408976693 SJNUEYNFONLADP-YDZHTSKRSA-N 418.478 6.041 30 40 HKEB C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1cccc(F)c1 409113615 HYBBHEMIKNJBKX-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409200395 IMMLYLQFMBETHO-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl 409216550 JFLVQSMASYXAKZ-BTXRRSKUSA-N 401.359 5.481 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1N2 9264162 XYVMHIKSLVJXIP-RUZDIDTESA-N 414.530 5.498 30 40 HKEB C=CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 15082351 MWRCAOCPSKYHLN-KRWDZBQOSA-N 423.465 5.291 30 40 HKEB CCOC(=O)C1=C(/C=C/c2cccc(Cl)c2)O/C(=C\c2cccc(Cl)c2)C1=O 16940354 FZNYZWGMQWRQNO-BZTAXWJHSA-N 415.272 5.464 30 40 HKEB COC(=O)C(=O)[C@@H](S/C(=N\c1ccccc1)Nc1ccc(C)cc1)c1ccccc1 18056589 VRYKDWMXVNJJMW-QFIPXVFZSA-N 418.518 5.311 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\C(C)=C\c4ccccc4)c3c2C1 32679259 VPSXTLJIGYFAFD-NZRSFDMJSA-N 418.610 6.734 30 40 HKEB CC(C)(C)[C@@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 38797052 FCYJQKNNOIQDPN-TWAXNNGESA-N 424.501 5.976 30 40 HKEB O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 59463655 CLRWZZRBVVICPM-ZVHZXABRSA-N 419.893 6.789 30 40 HKEB CC[C@H](C)CN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 96569898 ZKXIBAPBUKLSKR-SIUUDVKWSA-N 409.511 5.553 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1[N+](=O)[O-] 100287155 LDFAESWBFQNWBF-JHHKTYBCSA-N 423.494 5.150 30 40 HKEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])O2 100944169 ZZURGLVLOGGSOR-LRRMRFHFSA-N 411.889 5.599 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 409202344 RUYDDSXCUNYZOR-NXRHIUSOSA-N 424.994 5.615 30 40 HKEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O 880630 UUXWYRUJVKNVCV-ZMOGYAJESA-N 417.421 5.566 30 40 HKEB O=C(O)/C(Cl)=C(Cl)/C=N/c1ccc(Oc2ccc(Cl)cc2Cl)nc1 2158017 NYIQQSLPBHLHKG-XTUUKKADSA-N 406.052 5.657 30 40 HKEB C=CCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 2388734 UORDWPSAPXPNGK-UHFFFAOYSA-N 405.342 5.589 30 40 HKEB N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)n(Cc2c(Cl)cccc2Cl)c1=O 3128250 PWRUOQFHSODKHV-UHFFFAOYSA-N 424.114 6.049 30 40 HKEB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 4042517 JISHOKNCLQUPRG-CYXNTTPDSA-N 415.496 5.279 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 5501509 XRJOZRXYTJVUAZ-UHFFFAOYSA-N 406.555 5.159 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCSCc1ccccc1F 12745473 BUXNZQFQVOLMLE-UHFFFAOYSA-N 422.550 5.512 30 40 HKEB O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 16450175 PZJOTKKWBUMEEN-PCLIKHOPSA-N 423.900 5.466 30 40 HKEB COc1ccc(Nc2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)cc1Cl 19820518 JFDRYAJVPMJXGO-UHFFFAOYSA-N 417.321 5.796 30 40 HKEB CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)NC(N)=O 104335014 AWUMPPHEZCYUHJ-VHEBQXMUSA-N 410.599 5.542 30 40 HKEB C=CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc12 225934814 PMWDJGOVIPPETL-UHFFFAOYSA-N 407.513 6.349 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 408595686 MJVIURQIUGRKAE-UHFFFAOYSA-N 418.349 5.721 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)c1C 409033333 LMTYUWWYKQUWNS-WMDMUMDLSA-N 409.349 5.425 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc2ccccc2c1 409100095 PULPTPBTKKXBRV-XODNFHPESA-N 408.427 6.107 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409200758 JCCYFKYNNDITFE-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB O=C(COc1ccc(/C=N\c2ccccc2F)cc1Cl)Nc1ccccc1F 409374910 BJYNODFDPZXROQ-ROTLSHHCSA-N 400.812 5.386 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 994642 CYBYBCTVEVQLQK-LBPRGKRZSA-N 417.918 5.585 30 40 HKEB Cn1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 2417825 JRCHWTANWKIALW-CXUHLZMHSA-N 402.306 5.377 30 40 HKEB Cc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(C)c4)cc3)cc2)c1 2842731 OIVFZSYWJTYCNO-OQIGUVFWSA-N 402.541 7.395 30 40 HKEB CCc1cc2c(cc1/C(C)=N/N=C/c1ccc3c(c1)OCO3)C(C)(C)CCC2(C)C 4837535 IQWJGDLPUSVUCC-ONUBKXIWSA-N 404.554 6.170 30 40 HKEB Cc1ccc(N/C(=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)cc1 5002708 PWYAOWIMGLNCKI-UHFFFAOYSA-N 414.387 5.808 30 40 HKEB c1ccc2sc(N/N=C3/CCC/C(=N/Nc4nc5ccccc5s4)C3)nc2c1 5257556 VXEHKEGBVJQEMZ-GACBQCINSA-N 406.540 5.716 30 40 HKEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1 9088987 YNNPHOJZADCRAO-NRFANRHFSA-N 403.865 5.431 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2)cs1)c1cccc(C)c1C 12938834 LNGLSASZRPLFJE-VAWYXSNFSA-N 410.926 5.994 30 40 HKEB Oc1ccc2ccccc2c1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13714001 MEVQYEXLTMCTDE-AUEPDCJTSA-N 414.317 6.422 30 40 HKEB N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 16476888 BGLCVBRWZGJXCN-RMTZWNOUSA-N 419.459 5.236 30 40 HKEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc2ccccc12)c1ccccc1 16731635 DYYSQSFWBZGBBP-DEOSSOPVSA-N 420.468 5.013 30 40 HKEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1 20647714 IMNSCRNQWOBIAR-WSQWEHKVSA-N 403.478 5.233 30 40 HKEB CC(C)(C)[C@H]1CCC[C@@H](/C(=N\Nc2nc(-c3ccccc3)cs2)C(F)(F)F)C1=O 33435772 OIFIHEIMRZQFOM-WAEKDHKBSA-N 423.504 6.172 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 83312016 OYZBWBCMVNZQOW-FMCGGJTJSA-N 416.264 5.927 30 40 HKEB C=CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 103175106 DOFJEHVXUDMMPE-AHWVRZQESA-N 412.489 5.502 30 40 HKEB COc1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)ccc1O 245229047 LWFIYCGPQQWUES-GGGQOONASA-N 418.537 5.438 30 40 HKEB COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1F 408591245 JEVHAABBKYBOLE-UVHMKAGCSA-N 424.859 5.489 30 40 HKEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2Cl)c(C)c1 408723653 YZJDUDBXOVMVJN-LVWGJNHUSA-N 422.868 5.669 30 40 HKEB C=CCn1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409139846 BTRNAEWQDLIPJA-CJLVFECKSA-N 402.519 5.496 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 409208910 ATZFYTQYKUBNQM-RWPZCVJISA-N 403.884 7.270 30 40 HKEB O[C@](C#CC[N+]1(Cc2ccccc2)CCCCC1)(c1ccccc1)C1CCCCC1 1822295 MHYOWRSZCDHBTQ-MUUNZHRXSA-N 402.602 5.659 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 2055433 CDEVEDPYJSIJBR-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 2067823 WYHOMBZHACGDFY-STBIYBPSSA-N 414.464 7.257 30 40 HKEB CC1([C@](O)(C#CC[N+]2(Cc3ccccc3)CCCCC2)c2ccccc2)CCCC1 2283157 LRTSTYPAORHSQD-NDEPHWFRSA-N 402.602 5.659 30 40 HKEB Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c2c(C)c(C)sc2n1 5429045 LMRASDCLJZPZJB-HNNXBMFYSA-N 410.568 5.044 30 40 HKEB COc1ccccc1/C=C(\C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1 5555393 YZNQVWVHXPGDRZ-LTGZKZEYSA-N 413.473 6.047 30 40 HKEB biogenic O=S(=O)(/N=C(/Nc1ccccc1C(F)(F)F)c1ccccc1)c1ccc(F)cc1 6250903 MNYGQZFZKMVPCA-UHFFFAOYSA-N 422.403 5.092 30 40 HKEB N#Cc1c(/C=C/c2ccc3c(c2)OCO3)cc(-c2ccccc2)n2c1nc1ccccc12 6552997 XQPFDCLIKFRFMH-ZRDIBKRKSA-N 415.452 5.925 30 40 HKEB c1ccc(N/N=C(\CC/C(=N\Nc2ccccc2)c2ccccc2)c2ccccc2)cc1 8642405 WAOIKDOFYYWWJO-WWQQVGJXSA-N 418.544 6.799 30 40 HKEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 16736698 NFSBEGUMUMWDMQ-LEQVUBRHSA-N 419.864 5.111 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1)[C@H]1C(=O)CN=C(c2ccccc2)[C@H]1c1ccccc1 19203733 RQRCXSWMJGLQTL-RVQAHCINSA-N 413.904 5.394 30 40 HKEB N#C[C@@H]1C(=S)N=C(c2ccc(Br)cc2)C=C1c1ccc(Cl)cc1 72332265 GEVRAKPUSPMBHN-INIZCTEOSA-N 401.716 5.456 30 40 HKEB CCCCCCC[C@@]1(O)[C@@H](CCC)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C 98043786 HOYNZWRMBYCLFF-UPPVEEHQSA-N 407.642 7.216 30 40 HKEB CCCCCCCCCCCCCCCCCCc1ccsc1Br 100307990 RWTBCEZWUFMYTM-UHFFFAOYSA-N 415.525 9.315 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)C[C@H]2OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 103866628 CLHQHYNIOKAGEX-GMNRFXSGSA-N 420.658 5.052 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 408910688 HLKYRVORKUPQPG-GUXVSJRNSA-N 422.594 6.432 30 40 HKEB Clc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 408912813 SDINXZWCKHSKKG-STBIYBPSSA-N 415.964 7.818 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl 409053122 KUMBIKIHOIJSRX-RGEXLXHISA-N 415.898 5.020 30 40 HKEB CCCN1C(=O)[C@@H](Cc2ccccc2OCC)S/C1=N/c1ccc(OCC)cc1 409147115 WKFDQRIMHRCUCW-VANSDEMISA-N 412.555 5.068 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCC2)c(F)c1 409304588 LTGFEJRRLRXYCB-UHFFFAOYSA-N 418.516 5.066 30 40 HKEB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N23)cc1 2240145 FYSVTOIULMTRSN-WXFUMESZSA-N 421.525 5.341 30 40 HKEB CCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 4168024 UMDPAQYCGJZZNO-VWLOTQADSA-N 404.554 6.314 30 40 HKEB CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1 4973618 FCEOJGNHUSQXCN-BCHFMIIMSA-N 411.505 5.460 30 40 HKEB CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1 5248892 NSBDSIGTFDXQNA-UHFFFAOYSA-N 423.564 5.255 30 40 HKEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1c(F)cccc1Cl 5616199 DDSHCRNIOLAQSV-UHFFFAOYSA-N 412.961 6.506 30 40 HKEB CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N/OCc1ccc(Cl)cc1Cl 5632332 DODCKOZFBJZDHC-RELWKKBWSA-N 411.285 5.899 30 40 HKEB Cc1ccccc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8570938 VZVWVZNPPHVZPV-DHRITJCHSA-N 400.356 6.465 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1 9420534 XFGUENNIHYJLKM-UHFFFAOYSA-N 419.472 5.180 30 40 HKEB C/C(=N/N=C(/C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 16952099 FAAPJZADHKZZOQ-USYBVIFISA-N 424.456 5.684 30 40 HKEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 59250257 BYFWCFJPZONWPU-ZHZULCJRSA-N 423.925 5.421 30 40 HKEB CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12 70671689 YLWCISRZRCPRIT-LOSJGSFVSA-N 407.683 7.275 30 40 HKEB biogenic CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 102802563 BUUINLUUDZGCIG-MRJHHRETSA-N 411.929 5.650 30 40 HKEB Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc(-c2nc3cc(Cl)ccc3o2)c1 102866734 ZMCZPWGPJQTNER-VROXFSQNSA-N 417.679 6.911 30 40 HKEB CCCCCCCC[C@@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 104373988 OPESDBSJPSZDIT-HBEKHWMPSA-N 414.630 6.004 30 40 HKEB CCOc1cc(COc2ccc(Cl)cc2/C=N\O)ccc1OCc1ccccc1 408540252 PEOOGUADXJFKOU-QFEZKATASA-N 411.885 5.705 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccccc3SC)c3ccccc32)c1 408543990 RGGVJRXIYDJLCP-CVKSISIWSA-N 414.530 5.949 30 40 HKEB C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556921 KWXSJNYEWKGEBP-FQEVSTJZSA-N 424.349 5.736 30 40 HKEB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 408901500 GEXVIGOGXKYEBV-FYJGNVAPSA-N 415.543 5.372 30 40 HKEB CCOc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1I 408905189 UXAUSFLXZXSPTJ-OCKHKDLRSA-N 420.077 5.747 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c1C 408913110 KRZPDHGXTABQOU-MSXFZWOLSA-N 405.454 5.376 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 409088173 FDHJHMVRMGLWDU-OADBCFLWSA-N 400.887 5.083 30 40 HKEB C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1cccc(F)c1 409121047 XXSOMAAAHBIYQI-UHFFFAOYSA-N 419.540 6.761 30 40 HKEB CC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 1360879 XUDIRTKDFBFILC-WCWDXBQESA-N 405.523 5.064 30 40 HKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 1434746 LTSKAIJWRUYIQE-NGOKVRLYSA-N 424.544 6.373 30 40 HKEB C=C(Cl)Cc1cc(/C(CC)=C(\CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O 1688994 QHBIVKRRLCRTLB-QURGRASLSA-N 417.376 7.419 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Nc1ccc(Oc2ccccc2)cc1 2562174 FVCAQCKXQKTZNO-UHFFFAOYSA-N 401.281 6.798 30 40 HKEB Oc1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(O)c4)cc3)cc2)c1 2895177 NGJOVNYGUDERLF-UOSOPFLXSA-N 406.485 6.190 30 40 HKEB C#CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OCC 4700396 BGRSRNMCBMJFNQ-UHFFFAOYSA-N 408.723 5.434 30 40 HKEB CC(=O)O[C@@]1(C(C)=O)[C@H](C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]21C 5672977 QOMMDSDNBQTOBX-RKHRKMKDSA-N 400.559 5.045 30 40 HKEB Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cccc(Oc2ccccc2)c1 8337844 WZQFTSLRTOOXQQ-FOCLMDBBSA-N 407.473 5.823 30 40 HKEB c1ccc(CC/C(=N\N=C(/CCc2ccccc2)c2ccccc2)c2ccccc2)cc1 8638098 AROHHHHPQBMXPI-JWTBXLROSA-N 416.568 7.146 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Cl 9497977 MJBOLTLIXBTDHI-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(C(C)=O)cc1 12561960 YQTDTWWSGNBYCD-ATJXCDBQSA-N 403.334 6.144 30 40 HKEB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C#N)cc3F)c2)cc1 13946146 DEWUKWICPAFXLI-UHFFFAOYSA-N 415.468 5.499 30 40 HKEB COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 18200321 URWFQVBZRBJGHX-FQEVSTJZSA-N 403.400 5.287 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 59516420 IGNQGUSSZLCMBY-MPMRZIRESA-N 414.552 7.725 30 40 HKEB CC/C(C)=N\Nc1nc2c(Cl)cc(NC(=O)c3ccc(C)cc3)c(Cl)c2s1 72229005 CGPFXAUAYCJHHZ-MYKKPKGFSA-N 421.353 6.362 30 40 HKEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)S2)cc1C 83309785 JZTHEGCIJTYGJN-HMAPJEAMSA-N 401.535 5.603 30 40 HKEB CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccco1 98001436 GMUCJGSIBLEANX-UHFFFAOYSA-N 423.707 8.004 30 40 HKEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1 100208251 DMPQWUTVJJLLBA-KQWNVCNZSA-N 417.505 5.136 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccccc1Cl 100499516 GXOWJRUEVYEJFY-PNFLQUQDSA-N 415.971 5.724 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928207 NCHPULCZWCKWHV-GCIPZGPYSA-N 400.647 6.568 30 40 HKEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H]([C@@H]1CC=CCC1)Nc1ccc3ncccc3c12 217560369 PNMQXSJFYRIGPZ-NCXSOUSFSA-N 406.529 6.286 30 40 HKEB CC(C)c1ccc2c(c1)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)N2C1CSC1 223729021 PXUKONYBMHKMFW-XHPQRKPJSA-N 419.472 5.107 30 40 HKEB Clc1ccccc1CN1CCN(N=Cc2c3ccccc3cc3ccccc23)CC1 254838221 IFXSCDOYHRYSCK-UHFFFAOYSA-N 413.952 5.798 30 40 HKEB Cc1ccc(Sc2oc(/C=N\c3ccc4ccccc4c3)cc2Br)cc1 408914289 XNLYSOWETPMDAD-OYKKKHCWSA-N 422.347 7.406 30 40 HKEB COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 409210206 JALRSLCFYPFEHH-RPPGKUMJSA-N 418.295 6.779 30 40 HKEB CCCN1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)SC1=Nc1ccccc1 409373132 MKFVUUFSKQRIDT-DMEHKQLVSA-N 423.557 5.748 30 40 HKEB N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CCCC2 978536 WIZLVKALAYRWQS-UHFFFAOYSA-N 423.925 5.476 30 40 HKEB CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccccc2)C2=C1CCCC2=O 1099704 NTLPGBCGNCESMO-UHFFFAOYSA-N 413.517 5.309 30 40 HKEB Cc1c(C(=O)N2CCCS/C2=N\c2ccccc2)oc2c1ccc1ccccc12 5980912 QFJGZLXXCHJZRQ-IZHYLOQSSA-N 400.503 6.161 30 40 HKEB O=C1SC(SCc2ccccc2Cl)=N/C1=C\c1ccc(Br)o1 8397921 SXPMUKHDVBFXKV-GHXNOFRVSA-N 414.733 5.599 30 40 HKEB CCCCCCCCCCCc1nccn1C1c2ccccc2CCc2ccccc21 8442132 PAEXBBXNHYMHFG-UHFFFAOYSA-N 414.637 7.693 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 9088521 DFCICSLHCKGLSV-QFIPXVFZSA-N 407.510 5.162 30 40 HKEB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1C 16362600 OFQKHOLWVADFGP-FQEVSTJZSA-N 409.316 6.518 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 18121921 JBHBVPKOVZUIHF-IDISGSTGSA-N 408.501 5.607 30 40 HKEB O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1Cc1ccccc1 34701057 OYEDIWAISPLENA-DIRPYQRSSA-N 404.922 6.144 30 40 HKEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 101284721 LJRBYPDKDUNYEI-IBGZPJMESA-N 402.926 5.124 30 40 HKEB CCCCCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 104380439 RQVDFJIBIZXPRN-UHFFFAOYSA-N 422.609 7.781 30 40 HKEB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cc1 253497838 NJWYLVQOSGELIN-HRCZHRILSA-N 420.637 6.776 30 40 HKEB Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccc1Br 408589089 CZWWFCKEBDBSPG-ZMOGYAJESA-N 408.299 5.279 30 40 HKEB C=CCn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 408812943 CDEFFRNWMKFCHO-LJAQVGFWSA-N 418.540 6.962 30 40 HKEB Cc1cc(/N=C/c2c#cc(OC(=O)c3c(F)cccc3F)cc2)n(-c2ccccc2)n1 409011847 IXMRJFGJRJWUAX-JFLMPSFJSA-N 415.399 5.029 30 40 HKEB Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)Nc1ccccc1)CCCC3)C(=O)N2 409119339 SCJDMLMXHZXRPV-UHFFFAOYSA-N 415.518 5.261 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC 409199278 BYTLCUBPAXQUBZ-WSDLNYQXSA-N 406.707 5.572 30 40 HKEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1 856578 PCJIDTNRXASGRI-QUGAMOGWSA-N 414.480 5.814 30 40 HKEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)Nc3ccc(OC)cc3)cc1)C2 1448493 JUSXJWVIGGBYPV-IQGLISFBSA-N 404.510 5.269 30 40 HKEB COc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(C)cc4C)cs3)c(=O)oc12 4957180 FPZPWOKQFNHEEK-MFKUBSTISA-N 419.506 5.378 30 40 HKEB CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 5100922 PWEBKOBRFDZTTM-SNPIYUIBSA-N 423.582 5.336 30 40 HKEB c1ccc(NC(=N\C2CCCCC2)/C(=N\C2CCCCC2)Nc2ccccc2)cc1 5785595 KDHCTAVDCATQIA-UHFFFAOYSA-N 402.586 6.673 30 40 HKEB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1OC 19832468 QQOFYMYOXGDLIY-UHFFFAOYSA-N 400.265 5.193 30 40 HKEB Cc1cccc(COc2ccc(/C=C3\SC(=N)[C@@H](c4nccs4)C3=O)cc2)c1 34719696 KVWWRXSFHMGTEV-GYDHSEMCSA-N 406.532 5.448 30 40 HKEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1 59459253 FZQILHIOIUCKCV-BRJLIKDPSA-N 416.355 5.649 30 40 HKEB Cc1noc(/C=C/c2sccc2/C=C\C(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 95934594 KVBGAGAJADBEQB-NKUJDFQBSA-N 400.843 5.673 30 40 HKEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCCCCCC1 96318463 GTBKFEPBGSGFEV-UHFFFAOYSA-N 401.963 5.088 30 40 HKEB CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1Cl)C2 97940023 JCBNXNWCSNWKLE-MRXNPFEDSA-N 401.934 6.016 30 40 HKEB Clc1ccc(/N=c2/scc(-c3ccco3)n2/N=C/c2cccnc2)c(Cl)c1 103459415 QAIWQSCYPJYTBH-DPUQVZPMSA-N 415.305 5.626 30 40 HKEB CC1(C)[C@H]2CC[C@@]1(C)C[C@H]2OC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 103866623 CLHQHYNIOKAGEX-VGXFKPFASA-N 420.658 5.052 30 40 HKEB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)/C(=C\O)C[C@]4(C)[C@H]3CC[C@@]21C 118934662 HANWTWIRKYRHGG-XZKAXMRVSA-N 414.674 7.729 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC 408608212 KWTAQQYCCPOVQL-UHFFFAOYSA-N 410.739 5.987 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 408740239 FBWAFXWSKNUQPM-JCMHNJIXSA-N 423.582 5.900 30 40 HKEB Cc1cc(/C=N\Nc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 408852069 HSKKRXUJXUFTEX-OYKKKHCWSA-N 409.327 6.091 30 40 HKEB CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408885961 BWPFUJDYSPAFFN-HKWRFOASSA-N 414.958 6.191 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 409084140 BOBJQIFENUXCJK-CIAFOILYSA-N 413.227 5.606 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccccn1 409229030 IPQOJSXMKCRNPQ-PDGQHHTCSA-N 408.914 5.034 30 40 HKEB Brc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 920160 GXHDMJKNGPWJJI-HZHRSRAPSA-N 411.299 5.296 30 40 HKEB CC(C)c1n[nH]c(=S)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1807355 OJEXRPDXNRSGLA-LSHDLFTRSA-N 421.353 5.832 30 40 HKEB COc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 2556211 PDJOZOULCBSFOX-VOTSOKGWSA-N 409.121 6.193 30 40 HKEB CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 2751686 KKSAICFYOKWPJD-QGZVFWFLSA-N 410.583 6.202 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1Br 3066601 RNYPZBTULBTPJG-SSDVNMTOSA-N 423.738 5.012 30 40 HKEB N#Cc1cc2oc3ccc4ccccc4c3c3ccc4ccccc4c3oc2cc1C#N 4547016 JWXIEGINEIJSLO-UHFFFAOYSA-N 410.432 7.506 30 40 HKEB C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1 4828656 KPQRERPVHMORSV-MZJWZYIUSA-N 407.304 6.440 30 40 HKEB O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccco2)cc1 8763519 PWTPXQGSFPCTCO-ZRDIBKRKSA-N 417.848 6.341 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1Oc1ccc2ccccc2c1 8857345 KGMJPOAFQOKVNV-UHFFFAOYSA-N 424.809 7.238 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)ccc2OC)C3=O)cc1 12858499 WOMLOLMPWRKOAV-QFEZKATASA-N 414.457 5.542 30 40 HKEB biogenic COc1cccc(N2C(S)=N/C(=N\c3c(C)cccc3C)[C@]23CCOC(C)(C)C3)c1 13773984 KUEHFIAICQJSIN-XMMPIXPASA-N 423.582 5.476 30 40 HKEB CN1/C(=C/C=N/c2ccc([N+](=O)[O-])cc2Br)C(C)(C)c2ccccc21 33726108 XSEIFXAPORYHGC-KKWQFPGTSA-N 400.276 5.371 30 40 HKEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)(C)C)cc1 59397983 FCWWADHFVCMJSI-NRFANRHFSA-N 401.506 5.116 30 40 HKEB CC(C)=NNc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2s1 72228618 GUFIRCRDFRFLRC-UHFFFAOYSA-N 421.353 6.280 30 40 HKEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNCc1ccc(Cl)c(Cl)c1 100109688 LTCGJUVVLZQLKF-UHFFFAOYSA-N 408.712 5.336 30 40 HKEB aggregator CCCCCCCOc1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 100625481 RNWREURSUZXRKN-NLRVBDNBSA-N 422.960 6.592 30 40 HKEB COc1ccccc1NC(=O)c1c(/N=C/c2ccc(C)o2)sc2c1CC[C@@H](C)C2 101892677 NCZUAVTYTIFJAP-FIKYGGOLSA-N 408.523 5.786 30 40 HKEB c1ccc(N=NC(=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc2)cc1 299888789 XTIPSUJKQCQPBH-UHFFFAOYSA-N 404.477 7.660 30 40 HKEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 408815582 ICCXDIFVUOHAMC-STZFKDTASA-N 418.905 5.397 30 40 HKEB O=C(O)c1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3)o2)cc1Cl 408932398 WRQDYTFDUGKEFS-VROXFSQNSA-N 408.763 5.763 30 40 HKEB C=CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C 409201279 KWZKGZRUEIESSM-SRZZPIQSSA-N 423.148 6.144 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(C)c1 409210190 FKEMFVRKIYLJRB-RPPGKUMJSA-N 402.296 7.079 30 40 HKEB C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 2002106535 RDCBMNFSJFALPG-PIXYJVKDSA-N 416.602 5.242 30 40 HKEB N#C[C@@](CC(=O)O)(C(=O)O)C(c1cccc2ccccc12)c1cccc2ccccc12 1673203 SSSHKGVGRLLUNR-AREMUKBSSA-N 409.441 5.194 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c(O)ccc2ccccc12 2055613 MMGJGYSZNXSKBH-MZJWZYIUSA-N 412.876 7.066 30 40 HKEB CCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCC)ccc1-2 4763623 KSBSHTFAVLIJJU-UHFFFAOYSA-N 403.438 5.237 30 40 HKEB CCc1nc(N/N=C/c2ccc(OC(F)F)cc2)c2c3c(sc2n1)CCCC3 5257552 MJLMDOJBNCKEPQ-FOKLQQMPSA-N 402.470 5.180 30 40 HKEB C[C@@H]1CCc2c(sc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)c2C#N)C1 9596162 XGNREDOUUDQPJD-GFCCVEGCSA-N 411.527 5.188 30 40 HKEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(CN2CCCC2)cc1 9951719 MMXIHMPLWDKKOW-UHFFFAOYSA-N 413.546 5.558 30 40 HKEB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(C)c(C)c2)cs1)c1ccc(F)cc1F 15188004 MRHTVMZTBSVFRW-VQHVLOKHSA-N 412.461 5.619 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1Cl 18045119 OYNWYKQNILTAEM-IBGZPJMESA-N 424.327 5.931 30 40 HKEB N#CCCSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 95117564 KHDXGLMISZSUEN-UHFFFAOYSA-N 413.546 5.885 30 40 HKEB CC(=N\Nc1ccc(Cl)c(Cl)c1)/C(C)=N/Nc1ccc(Cl)c(Cl)c1 101160313 MASDEKALHKMINY-VGENTYGXSA-N 404.128 6.576 30 40 HKEB CCCCCCCC[Si](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 195757014 MPTNKBJSCHTRCQ-UHFFFAOYSA-N 414.709 6.443 30 40 HKEB CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCC 408528660 DXWHQPPMOPVAFI-ATVHPVEESA-N 402.903 5.029 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 408880483 JGQLFLAZNUNFCS-YVADOFBFSA-N 410.514 5.771 30 40 HKEB CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408943351 SAYSFDXAAGYNBI-CGKZPPRLSA-N 408.545 7.053 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cn(CC#N)c4ccccc34)c2C#N)C1 409081847 QUCNKMOEUQWWNK-MAFAOTQISA-N 400.551 6.000 30 40 HKEB FC(F)(F)c1ccc(N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)nc1 409106741 UBMKSUGZMRTWRV-IPPBACCNSA-N 421.422 6.279 30 40 HKEB N#Cc1ccccc1Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 409198667 CSKKPGSQANEJNW-UHFFFAOYSA-N 407.189 5.069 30 40 HKEB N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 609460617 XMLBEQJTXANZHH-KEYYUXOJSA-N 413.226 5.497 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1cccc(Cl)c1Cl 1080096 IXMGXPMSICUISJ-INIZCTEOSA-N 414.332 6.157 30 40 HKEB Cc1ccccc1-n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 2277145 PICOCZPYFPDFGX-UHFFFAOYSA-N 403.445 5.006 30 40 HKEB N#Cc1c(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc2c1CCCCC2 2769108 ODSCKBMZKLWQDE-UHFFFAOYSA-N 414.574 5.929 30 40 HKEB Fc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1 3079784 KVXMRULGIMMMOH-STBIYBPSSA-N 422.459 6.964 30 40 HKEB Cc1ccc(/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 3088606 QKLACEOOJRJQHX-NDZAJKAJSA-N 415.492 7.271 30 40 HKEB CCCCN1c2ccccc2C=C(c2ccc3ccccc3n2)[C@@H]1C#Cc1ccccc1 4043716 XFIWTMMYLFKXHK-PMERELPUSA-N 414.552 6.816 30 40 HKEB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(C#CC2(O)CCCCC2)c1 4535509 QCUKRLIGEBLXTB-UHFFFAOYSA-N 407.513 5.557 30 40 HKEB C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5354138 WJHCMAFXTKTTDP-UHFFFAOYSA-N 401.388 5.072 30 40 HKEB biogenic COc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 5720944 ZCZZUKCSQLQMSS-JTUXUYRKSA-N 414.530 5.368 30 40 HKEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1 6000182 SAEGLRAQWVLSKA-HSZRJFAPSA-N 419.521 5.281 30 40 HKEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCc2c(Cl)cccc2Cl)n1 9420692 LNJPKTVZEXOLFH-UHFFFAOYSA-N 419.299 6.869 30 40 HKEB O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc2ccccc12 13590108 KGTZPGQQVINWBU-GOSISDBHSA-N 411.324 5.064 30 40 HKEB CC(=O)c1cc(C#N)c(SCc2cc(-c3ccccc3)on2)nc1-c1ccccc1 14159149 PAPFVFIUFBBJCK-UHFFFAOYSA-N 411.486 5.770 30 40 HKEB C/C(=N\c1ccc(C)cc1)c1c(-c2ccccc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 17089130 YIDJICQPKNCBCG-KOEQRZSOSA-N 412.449 5.190 30 40 HKEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1 17093820 VGCHNBHNFMULAT-VIFPVBQESA-N 424.378 5.178 30 40 HKEB COc1cc2c(c(OC)c1)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2 18200318 MKTIDHYOUZMIMQ-LJQANCHMSA-N 403.400 5.287 30 40 HKEB COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3nc(SCC#N)nn23)cc1 20635903 ICJMJMHUPHXISY-UHFFFAOYSA-N 423.501 5.236 30 40 HKEB CCCCOc1ccc(C(=O)O/N=C(/c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 30836408 LBOZXYTUNFTWNB-LNVKXUELSA-N 424.478 5.445 30 40 HKEB CN(C)/C=C/c1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3 49590242 RYMSLPLCDUAPMB-WUKNDPDISA-N 404.517 5.585 30 40 HKEB CCCCCCCCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 97953971 CRWGGUSROAWWOL-JOCHJYFZSA-N 417.597 6.616 30 40 HKEB Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 103598064 LTEUMIZEZFMHFR-UHFFFAOYSA-N 423.197 5.089 30 40 HKEB Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C(C)C 408967940 YFHLFNADPOWAAU-CXUHLZMHSA-N 408.354 5.884 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409170539 VHXTYIKQYFOVGD-UNOMPAQXSA-N 418.499 5.539 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409214314 XKUTWQJJWQTHPW-BRJLIKDPSA-N 414.288 6.330 30 40 HKEB Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409215270 WMLHMUKJTJUFPI-RWPZCVJISA-N 420.339 7.785 30 40 HKEB CCN(CC)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409287134 YRUMQQXRDRDCOU-UHFFFAOYSA-N 402.542 5.173 30 40 HKEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 659939 QAMODCQEFPNPLM-WGOQTCKBSA-N 423.944 5.343 30 40 HKEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1ccsc1 1080117 AAJLGFYGKJVDOC-AWEZNQCLSA-N 419.468 5.931 30 40 HKEB O[C@@](C#CC[N+]1(Cc2ccccc2)CCCCC1)(c1ccccc1)C1CCCCC1 1822296 MHYOWRSZCDHBTQ-NDEPHWFRSA-N 402.602 5.659 30 40 HKEB C=Cc1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1 2105604 NSKKRIYDIXJGFP-GCAKBVQNSA-N 410.469 6.090 30 40 HKEB biogenic O=C1/C(=C/c2ccco2)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21 2415485 WWNJHAZQIYKGQE-AUWJEWJLSA-N 408.278 5.170 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 2447082 UGGUBBQDDRFOIS-UHFFFAOYSA-N 420.763 5.839 30 40 HKEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)c1C 2725946 GTKSESXMZWQLOT-UHFFFAOYSA-N 424.570 5.114 30 40 HKEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 4740322 TZBROLLRLOZKCG-CXYGBTOJSA-N 400.444 6.021 30 40 HKEB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1sc(C)c(C)c1C#N 4849361 JFKODUDAVOOOER-UHFFFAOYSA-N 411.552 5.087 30 40 HKEB CC(C)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 5189615 YOECDDSOMRIUPA-BNCCVWRVSA-N 415.445 5.834 30 40 HKEB C/C(=N/N=C(/C)c1ccc(Br)s1)c1ccc(Br)s1 5412022 JNKTVWWYRDYKSI-DUGOVBPYSA-N 406.168 5.568 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3)c(C#N)c(C(F)(F)F)c2C1 8993086 HCKUGSBEBGFRDB-OAHLLOKOSA-N 404.501 6.415 30 40 HKEB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)c2ccccc23)c1OC 18164290 IFLFDEDKSGHURG-HXUWFJFHSA-N 415.489 5.482 30 40 HKEB O=C(/C=C\C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Br)cc1 33376570 NIKOPWGUCFOQIW-SEYXRHQNSA-N 408.339 5.641 30 40 HKEB CC(=O)N(c1ccc(C)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 36612650 WODQYECFMOZYFN-UHFFFAOYSA-N 403.485 6.280 30 40 HKEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3nc(-c4ccccc4)cs3)cc2)c1 59387349 DXWXDDMKVLZYDX-MFKUBSTISA-N 413.502 5.784 30 40 HKEB CC/C(C)=N\Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 72229764 CYETVBKTJVYYFV-JJFYIABZSA-N 417.332 5.509 30 40 HKEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)SC1=S 223565181 SXDHZLQVZPNWJR-VUFYJBQKSA-N 400.613 5.574 30 40 HKEB Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc(Cl)cc1 408591243 JDZSEFVOBICSOL-RWPZCVJISA-N 413.908 6.074 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(C(C)C)c1 408980793 XODIYKKBYAXZNH-JVWAILMASA-N 418.606 7.740 30 40 HKEB COc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1O 409356871 HTYJMVTUEUCWFL-MUFRIFMGSA-N 422.484 6.567 30 40 HKEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c2ccc2ccccc32)cc1OC 853127 JYTPXJBJEOPACG-XMMPIXPASA-N 413.517 6.058 30 40 HKEB Cc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1 1465046 VODFSMKJRLCXOJ-MFKUBSTISA-N 415.401 5.370 30 40 HKEB O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2cccs2)cc1 4118240 KHKFVBKVZMUGNQ-UXBLZVDNSA-N 403.286 6.170 30 40 HKEB COc1ccc(/C(C)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4481871 QPMQULAXXWBDFK-MTJSOVHGSA-N 402.317 5.417 30 40 HKEB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N/N=C/c1ccc(-c2ccccc2)o1 6927871 CUWPMJSSJVWZFW-MWRNPHMMSA-N 402.269 5.968 30 40 HKEB O=C1C2=C(NC(SCc3ccc(F)cc3)=N[C@H]2c2ccccc2F)c2ccccc21 8781825 NVNUHXWCIMNDGB-QFIPXVFZSA-N 418.468 5.506 30 40 HKEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(Br)c2)cc1 12466507 IKEQMRPFYAIWFX-MTJSOVHGSA-N 415.360 5.550 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 17837718 NBNBRZYWRRWMFA-MONKAWABSA-N 421.566 5.265 30 40 HKEB N#Cc1nc(Cc2cccc3ccccc23)oc1NC[C@H](c1ccco1)N1CCCC1 27562221 FQJJPSMJSTWZKE-JOCHJYFZSA-N 412.493 5.132 30 40 HKEB Cc1ccc(CNc2oc(-c3ccc(COc4ccc(C)c(C)c4)o3)nc2C#N)cc1 33027014 LGUDGCOKJUWNHF-UHFFFAOYSA-N 413.477 5.923 30 40 HKEB C=CCn1c(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)nnc1-c1ccoc1C 40023351 AJLROLHVONPKHD-GFCCVEGCSA-N 423.567 5.313 30 40 HKEB CCc1nc([C@H](C#N)C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)sc1C 95367726 ANYWAWCYKJYPHB-LLVKDONJSA-N 420.321 5.774 30 40 HKEB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916193 GQZPOAUVKZAMQR-ZXSGGSQCSA-N 406.610 7.081 30 40 HKEB CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)N1CC 408853670 WHJVDBWEVQJNFX-RINAVELBSA-N 401.963 5.368 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)cc1 408863772 PYKGKMNFFMLEEL-BKUYFWCQSA-N 405.498 5.433 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(C(=O)O)cc3)cc1)N2 408933837 BNVBALBHLHNPEJ-WCJVRYJWSA-N 408.501 6.270 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)c1 408968410 YPGMBAYRJPZGHY-OVVQPSECSA-N 417.553 5.868 30 40 HKEB CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409130218 MDDWMLXRXHYKRI-MTJSOVHGSA-N 401.491 5.008 30 40 HKEB N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3cc4ccccc4[nH]3)cs2)c1 585295355 WKUNZIYSHCXAIQ-OAQYLSRUSA-N 414.538 5.362 30 40 HKEB COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1OC 833253 FTEYFJFYAZGPOP-UHFFFAOYSA-N 410.510 5.104 30 40 HKEB O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 1834563 SRVQFMHBAWCQTE-MKIITAJQSA-N 418.949 6.013 30 40 HKEB CC[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(Cl)cc3C)c2C#N)C1 2736441 IYMVNHZABOOWJK-HNNXBMFYSA-N 416.974 5.894 30 40 HKEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2cccnc2Cl)cc1OC 3240877 SUAPDNDWDPPVGO-VULFUBBASA-N 418.884 5.356 30 40 HKEB CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C1\CCCc2c(C)cc(C)cc21 6307922 KSSURCBUTGLTAR-RWQQJOCHSA-N 405.567 5.351 30 40 HKEB CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Cl)c4O)c3)nc2c1 6555319 KIOJDAIOKFSHFG-JZNDDVEWSA-N 418.924 7.426 30 40 HKEB C(=C\c1ccccc1)\C=N/Nc1nnc(N/N=C\C=C\c2ccccc2)c2ccccc12 17418158 AYTJSHHESVZMRL-ZWBXHDNCSA-N 418.504 5.852 30 40 HKEB N#CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087809 INOHRFFGHAMKRQ-UHFFFAOYSA-N 404.373 5.082 30 40 HKEB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3S[C@@H](C)CC#N)ccc2c1 65453294 LRMTZXZBSAHDSJ-IRXDYDNUSA-N 404.535 5.985 30 40 HKEB CC/C(C)=N\Nc1nc2cc(C)c(NC(=O)c3cccc(C)c3OC)c(C)c2s1 72228746 MGKYOXLMOTXVCS-QFEZKATASA-N 410.543 5.680 30 40 HKEB CC(C)=NNc1nc2c(Cl)cc(NC(=O)c3ccc(C)cc3)c(Cl)c2s1 72229006 YIENLHPCZOJERM-UHFFFAOYSA-N 407.326 5.972 30 40 HKEB Cc1ccc(/N=C/c2cc3ccc(C)cc3nc2S(=O)(=O)c2ccccc2)cc1 98212145 NSIYGMFVFJRRNY-PCLIKHOPSA-N 400.503 5.435 30 40 HKEB CCCCCCCCCCCCc1ccsc1[Sn](C)(C)C 224124400 WCHNLGXGBIUEAX-UHFFFAOYSA-N 415.275 6.757 30 40 HKEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N 225752473 SLNMZMWMJROYLE-UHFFFAOYSA-N 417.336 6.104 30 40 HKEB C=C(C)[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)CC 263599043 IMWBKGMKWXIXEQ-FYJNDFHESA-N 410.686 7.721 30 40 HKEB C(=N/N(c1ccccc1)c1ccccc1)\c1cn(Cc2ccccc2)c2ccccc12 408813405 QTLYPKHJPLXZSY-ZTKZIYFRSA-N 401.513 6.862 30 40 HKEB CC[C@H](C)N1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 408916030 TXUFWEJOEFACCU-BZKUUJCWSA-N 410.539 5.415 30 40 HKEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1 408916768 ZBISKJBUISYGRE-GRUKXCDCSA-N 410.539 5.272 30 40 HKEB Brc1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1 409016096 SGYXIRXLRSWHGS-KOEQRZSOSA-N 401.307 6.657 30 40 HKEB C=CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409104997 LUJTXPRTTQHTDA-AUWJEWJLSA-N 409.791 5.425 30 40 HKEB Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1C 409210603 FWCMUGXMNJLEGP-YZSQISJMSA-N 415.514 5.975 30 40 HKEB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OC)c2)C2=C1CC(C)(C)CC2=O 780238 FRBQLFQBOMBZOJ-UHFFFAOYSA-N 407.554 5.401 30 40 HKEB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 796317 AKGCTRWGBXOWDL-UHFFFAOYSA-N 418.547 5.460 30 40 HKEB Cc1sc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(C#N)c1C 1354280 XHDNNJVEJNATOC-UHFFFAOYSA-N 406.536 5.004 30 40 HKEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4ccccc4s3)cc1)OCO2 1434919 RJSNIXPXJVKKDT-SSDVNMTOSA-N 403.419 5.351 30 40 HKEB CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2)cc1 1438367 ANMJUTJWIVOYLS-OAQYLSRUSA-N 403.503 5.654 30 40 HKEB CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 4304814 AGWMLBKIBKKELH-JVWAILMASA-N 417.505 5.219 30 40 HKEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 4548748 FMOQIPJYTNGFFY-QGZVFWFLSA-N 402.563 6.566 30 40 HKEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)O)n2)cc1 4952450 PKJCLCUBKWCNBB-AWEZNQCLSA-N 408.910 5.814 30 40 HKEB O=C(/C=C/c1cccc2ccccc12)c1ccc2ccccc2c1OCc1ccccc1 5279049 KWFOKIFIVZJEBC-CZIZESTLSA-N 414.504 7.468 30 40 HKEB COc1cccc(CN/C(=N/c2ccccc2)NCc2cccc(C(F)(F)F)c2)c1 5527452 XNCRHAHVOAFPNW-UHFFFAOYSA-N 413.443 5.281 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 6962515 OPBWFKBWQCPOME-AFUMVMLFSA-N 400.305 6.722 30 40 HKEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4c5ccccc5cc5ccccc45)c(O)nc3c2c1 9065687 QBLXSPKHMZXHCP-MZJWZYIUSA-N 418.456 5.080 30 40 HKEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O)c1cccc([N+](=O)[O-])c1 9215782 ZTEGLKOYOHPQOI-JMIUGGIZSA-N 421.792 5.084 30 40 HKEB C#CCOc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1OC 15083445 PGGMWEVMWGASAA-UHFFFAOYSA-N 412.533 5.349 30 40 HKEB O=C1CN(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1/N=C/c1cccc(Cl)c1 18193928 ZGCFSXXULFMMKO-SIBVSACJSA-N 424.331 5.371 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)N=C(Nc2nc3ccccc3s2)N1 19920785 QKDXEEKIOJVLOY-JOCHJYFZSA-N 424.529 5.566 30 40 HKEB C=CCN1C(=O)COc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc21 32593406 SKTBTNXZNBDROX-UHFFFAOYSA-N 412.898 5.027 30 40 HKEB CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2OC)s1 97951489 HYNLFTLTJPFYBL-UHFFFAOYSA-N 404.580 6.264 30 40 HKEB CCCCCCCCOCCOCCOCCOCCOCCCCCCCC 103011533 JCKHGGFEDUSYQX-UHFFFAOYSA-N 418.659 5.790 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F 103526305 LBZBXHQLTDZBDE-UHFFFAOYSA-N 414.587 10.006 30 40 HKEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccccc1Cl 223666466 UVANZAVWABVEQU-UHFFFAOYSA-N 401.322 5.120 30 40 HKEB CCOc1cc(/C=N/Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408820266 UYVRVAMRWNDDAS-AFUMVMLFSA-N 415.320 6.417 30 40 HKEB Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl 408944988 VQSHSSNFAJLHFF-CMSXCWRSSA-N 400.909 6.623 30 40 HKEB Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1Cl 409014029 OOGOFKPIFPVSLC-BKUYFWCQSA-N 421.953 5.948 30 40 HKEB Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c(Br)c1 409017632 NHUWPISFMGPYSG-NHDPSOOVSA-N 422.800 7.374 30 40 HKEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C#N)C1 409085226 NWUSZQHLNHFGJZ-NKZWWHGNSA-N 422.981 7.435 30 40 HKEB CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2ccc(O)cc2)cc1[N+](=O)[O-] 409136873 VHZHEZOOKMIQHM-XKZIYDEJSA-N 407.451 5.161 30 40 HKEB CC(C)(C)[C@@H]1CCc2nc(SCc3ccncc3)c(C#N)c(-c3cccs3)c2C1 663497 QONXXPZHOVIPRP-QGZVFWFLSA-N 419.619 6.520 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O 821754 CFDSLKGQCSQJST-WYMPLXKRSA-N 417.421 5.485 30 40 HKEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 2352040 VRFQWUJFWUXMCH-LSIOVLHASA-N 409.555 5.028 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC 4700595 QERDNUXRTOYCMS-MOSHPQCFSA-N 411.548 5.283 30 40 HKEB Cc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)c(Br)c2)c1O 5883924 UPNRCMLXABUPBW-YDZHTSKRSA-N 409.283 5.466 30 40 HKEB C=CCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1nc2c(s1)CCCC2 6553420 ANYIHIWRGOPYKY-UHFFFAOYSA-N 415.518 5.663 30 40 HKEB CCCCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(CCCC)C1=O 8431330 VHAYXOGGADEHQY-JOQKXGKBSA-N 410.558 5.578 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Br)o1 12278552 UEBLJTPPJMZZHQ-IZZDOVSWSA-N 418.099 5.241 30 40 HKEB Cc1ccc([C@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570832 SYPCGUBSYTYLEC-QHCPKHFHSA-N 424.456 5.228 30 40 HKEB CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 17094100 WSWVUOUWDCVXBV-QGZVFWFLSA-N 424.610 6.086 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1Cl)OCO3 18197427 VLUUQESHWBRSFY-LJQANCHMSA-N 416.304 5.923 30 40 HKEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 20762481 BKSVDEQFVIOBQO-DHRITJCHSA-N 402.325 5.533 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1nc(=S)[nH]c(O)c1[C@H]2c1ccccc1C(F)(F)F 44973888 MSXXKWRSUCJXEF-ZDUSSCGKSA-N 421.444 5.064 30 40 HKEB Cc1ccc(-c2c(C(=O)/C=C/c3ccc(N(C)C)cc3)c(C)nc3ccccc23)cc1 72314682 LWVXTTVWXWYVEU-QGOAFFKASA-N 406.529 6.481 30 40 HKEB CCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2O)cc1 97962844 MEBWRGNAAAGZSF-XAYXJRQQSA-N 409.614 8.005 30 40 HKEB CCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N 100932714 PTVSZRNEEQNQMY-UHFFFAOYSA-N 418.626 5.240 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@@]4(C)CC[C@H]32)C1 252694785 PYLBSMLISGOFKG-RBWXGHOXSA-N 418.577 6.144 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408753734 BZCRNERQTBHLSC-JCMHNJIXSA-N 401.535 5.590 30 40 HKEB Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408964288 CSJSUDVGNNVPKN-TWKHWXDSSA-N 421.588 7.886 30 40 HKEB COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)C3CCN4CC3)c2C)cc1 409199846 FDWJFBQRWBHVMW-VULFUBBASA-N 416.550 5.484 30 40 HKEB COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 409217110 RTBGEJYWIAQPHO-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=C/C=C/c1ccco1 409282670 HOHVHRZMZWAKDN-MKMQZVESSA-N 415.836 5.603 30 40 HKEB CC(C)(C)C1=CC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O 3860466 HRLDHROCDBYHAU-UHFFFAOYSA-N 422.653 7.898 30 40 HKEB biogenic,in-vitro Cc1ccccc1/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C 4107796 UXYNHTUDCFYWIM-HSHHTGOPSA-N 401.944 5.252 30 40 HKEB C=CCn1c(SCc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 5081608 PGQHALWDVFPETG-UHFFFAOYSA-N 402.972 5.469 30 40 HKEB N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2O)oc(-c2ccccc2)c1-c1ccccc1 5490290 YXANHFFXYJUKFG-CVKSISIWSA-N 409.401 5.850 30 40 HKEB CN(/C(=N\C(=S)NCc1ccccc1)SCc1ccccc1)c1ccccc1 18089661 HEXVXBIMCGORPH-WJTDDFOZSA-N 405.592 5.487 30 40 HKEB CCCN(CCC)Cc1c(O)cc(C)c2c1O/C(=C/c1cc3ccccc3o1)C2=O 20646862 ZIOIEHYPJACOHJ-HYARGMPZSA-N 405.494 5.685 30 40 HKEB Cc1c(OCc2ccccc2F)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182581 CYHVDMAMLYLXMA-CFRMEGHHSA-N 413.448 5.821 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 36612762 GXHVVTOFPXNQID-UHFFFAOYSA-N 419.484 5.980 30 40 HKEB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2/C(S)=N/c1ccc(Cl)cc1Cl 95545401 SECHNLXDFGYFOW-BEFAXECRSA-N 406.382 5.527 30 40 HKEB CCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)NCCCCCCCC 100303756 CSRGRGSMEUKQSD-NXUUISDRSA-N 411.715 6.916 30 40 HKEB CCCCCCCCN(CCCCCCCC)Cc1ccc(Br)cc1 100689125 RVTWAOXINZKMOQ-UHFFFAOYSA-N 410.484 7.972 30 40 HKEB C[Si](C)(C)C#C[Si](C#C[Si](C)(C)C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C 196128179 FXYVWQSQXBWQDE-UHFFFAOYSA-N 416.938 5.115 30 40 HKEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5ccccc5)C(=O)[C@]4(C)CC[C@H]32)C1 253499684 PYLBSMLISGOFKG-AHHXBFDFSA-N 418.577 6.144 30 40 HKEB C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl 408557677 OFMARGLLYCZEQX-UHFFFAOYSA-N 421.549 6.586 30 40 HKEB Cc1oc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C#N)c1C 408958189 XPICLMRGKDQUMQ-WYMPLXKRSA-N 409.283 5.860 30 40 HKEB Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 409201863 OQWWHHNBDVZNDY-RWPZCVJISA-N 403.884 7.270 30 40 HKEB C#CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC 409214140 RIVPLDWATGYGLG-HYARGMPZSA-N 402.288 5.009 30 40 HKEB C#CCOc1ccc(OC)cc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N 409384215 BCACABZIMPCKMA-CVKSISIWSA-N 412.401 5.442 30 40 HKEB Cc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1C 409387099 TWGLXROHKINHEZ-DHRITJCHSA-N 406.551 6.100 30 40 HKEB Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4O)c3)nc2c1 704493 AJMYTAVISWTUIT-FSJBWODESA-N 407.267 6.022 30 40 HKEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O 725641 HKWOHGTWFGFIHC-FSJBWODESA-N 403.394 5.176 30 40 HKEB CCCCCCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2348571 FAHQFKNNDOPRND-UHFFFAOYSA-N 420.557 6.076 30 40 HKEB CC[C@@H]1CCc2c(sc(/N=C(\O)C(c3ccccc3)c3ccccc3)c2C#N)C1 2739155 SUAOCIGMUPDMLJ-QGZVFWFLSA-N 400.547 6.555 30 40 HKEB C=CCc1cccc(/C=N/CCCCCCCCCCCCCCCCCC)c1O 8397435 CCHAZUUOXACWRM-XLVZBRSZSA-N 413.690 8.801 30 40 HKEB CCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 8431367 JVVACKYOMQUHES-SFHVURJKSA-N 421.647 6.909 30 40 HKEB COC(=O)c1cc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)ccc1Cl 10118802 ZDLUCYBXIRWVQM-WYMPLXKRSA-N 403.265 5.164 30 40 HKEB O=C1O[C@H](C/C(=N/Nc2ccccc2)c2ccc(Br)cc2)c2ccccc21 12249667 NETZFBJCDHWTHH-VUSVCRIZSA-N 421.294 5.567 30 40 HKEB O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 22246914 WDWOKLPKJKYMOH-XUTLUUPISA-N 424.756 5.214 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 50860577 KRKIVNMLBZEZOA-NRFANRHFSA-N 403.570 6.226 30 40 HKEB N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(Cl)c1 59484606 SMGKPUXHSGJYHK-UHFFFAOYSA-N 416.937 5.811 30 40 HKEB CCCCCCCOc1ccc(CNc2cccc(OCCc3ccccc3)c2)cc1 100039761 ZYYSVFMHDNWNDP-UHFFFAOYSA-N 417.593 7.269 30 40 HKEB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O)C[C@H]1O 145306264 OFHCOWSQAMBJIW-HOXJHLQESA-N 400.647 6.590 30 40 HKEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779153 RFQYFTLHVIPPPM-MRXNPFEDSA-N 412.917 5.076 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 408543237 ODBCDQBKOJXODC-QFEZKATASA-N 413.433 5.135 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 408906105 ANEILDQBZAHEND-VZAVGQBCSA-N 410.542 6.608 30 40 HKEB Clc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1Cl 408976941 HEPVOWZHGYLAQZ-DHRITJCHSA-N 415.389 7.915 30 40 HKEB C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCc1ccc(F)cc1 409344265 ILBKUBWNOZUULY-UHFFFAOYSA-N 413.518 5.182 30 40 HKEB Cc1oc(/N=C/c2ccccc2OCc2ccc(Br)cc2)c(C#N)c1C 1093562 KOYUUHNWPNUOLO-WYMPLXKRSA-N 409.283 5.860 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 1435279 WSUWWSMMGDDZIC-ZVBGSRNCSA-N 410.695 5.352 30 40 HKEB C=CCn1c(C)c(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)c2ccccc21 2076306 XMMAJFOXRKJDKD-HMAPJEAMSA-N 401.535 5.835 30 40 HKEB COC(=O)c1ccc(N[C@@H](CC(=O)/C=C/c2ccc(OC)cc2)c2ccccc2)cc1 2105724 DSDHERLPEKTIQD-HRDREGIBSA-N 415.489 5.308 30 40 HKEB biogenic O=C(Cc1cccc2ccccc12)OCC#CCSc1nc2ccccc2s1 2235037 OBOANQKFCOYERC-UHFFFAOYSA-N 403.528 5.331 30 40 HKEB O=C(/C=C/c1c2ccccc2cc2ccccc12)c1cc2ccccc2c2ccccc12 4280533 YFVMZZRLNOWZCZ-ISLYRVAYSA-N 408.500 8.196 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C1CC1)[C@@H]2c1ccc(Cl)cc1 4597889 GMGKOTSVYHTXKL-HSZRJFAPSA-N 420.940 5.893 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1ccc(OCc2cccc3ccccc23)cc1 4974020 DWKYLOHXKYZIPF-WGOQTCKBSA-N 409.514 6.475 30 40 HKEB O=S(=O)(/N=C(/Nc1cc(Cl)ccc1Cl)c1ccccc1)c1cccs1 6250888 GOTKGNQTLSJKQN-UHFFFAOYSA-N 411.335 5.303 30 40 HKEB COc1ccccc1Oc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 6545714 IVBRUAWKRFNRGR-WPWMEQJKSA-N 404.485 6.286 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 9308332 QFRIUIUJUZZMDP-UHFFFAOYSA-N 419.337 5.169 30 40 HKEB O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccccc2C(F)(F)F)c1Cl 12473435 LQMUUYNCEBORAJ-IGCPIRJNSA-N 412.582 5.205 30 40 HKEB O=C(C/C=N\OCc1c(Cl)cccc1Cl)Oc1ccc(Cl)cc1Cl 12956163 ZVUUOWQEGNKERE-YXSASFKJSA-N 407.080 5.798 30 40 HKEB CCCCc1ccc(/N=N/C(=N\Nc2nc3ccccc3s2)c2ccccc2)cc1 15938249 CPHLOLGYUXGFKO-SHPOAAFQSA-N 413.550 7.197 30 40 HKEB O=C(Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cl)cc1)c1ccccc1 17023468 KOIURPNEHOAIAI-WYMPLXKRSA-N 404.680 6.617 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1OCC 32114718 ATXHHTRBULGRFG-NEHLPSIOSA-N 408.523 5.192 30 40 HKEB CCCCCCCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 97954700 FKDSWBSCNANQIY-QFIPXVFZSA-N 417.597 6.616 30 40 HKEB CCCCCCCCCOCn1c(=N)n(CCN2CCCCC2)c2ccccc21 100721382 ZLYHPXMHVZINIQ-UHFFFAOYSA-N 400.611 5.133 30 40 HKEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1 101650614 TWLDGXKDIHSAKI-BBJJLJPOSA-N 409.555 5.017 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 104245864 SCEWWQNZOFNUMW-ACESQOTJSA-N 405.623 6.107 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408656046 HDTLVHSFRPRTLH-NTUHNPAUSA-N 423.306 5.933 30 40 HKEB CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 408671846 LPNLKOAAMHSMPA-UHFFFAOYSA-N 408.586 7.107 30 40 HKEB CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 408673744 UTBIAPJAHOHFOX-UHFFFAOYSA-N 400.588 6.860 30 40 HKEB COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408722822 NNCNIZZKAMJUEZ-MFKUBSTISA-N 404.922 6.890 30 40 HKEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408804670 GJQJGAIPXBTAAA-HPUZFYODSA-N 402.494 5.010 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1OCc1ccccc1 408889041 AZURIYBZNSIMHC-QNGOZBTKSA-N 416.502 5.166 30 40 HKEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1O 409078989 JZFPXPMWPQAOBM-HUIWRNEVSA-N 416.930 5.314 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409216549 MCRDGVANGZGSPD-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CCCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 2049159 CQYURYIPTZNDOF-UHFFFAOYSA-N 415.577 7.442 30 40 HKEB C=CCOc1ccc(/C=C2/SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)cc1 2713725 DZRKYLDVYIQOKP-CAOOACKPSA-N 405.306 5.641 30 40 HKEB C[C@H]1CCc2sc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)c(C#N)c2C1 2769040 RQBPALZOXGBENM-SFHVURJKSA-N 414.574 5.785 30 40 HKEB CCOc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3c2CCC3)cc1 4545795 SBOXKZPQQZHPOR-MFKUBSTISA-N 420.534 5.647 30 40 HKEB COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 7939572 QMQYGDGFAZERIA-LFYBBSHMSA-N 413.300 6.477 30 40 HKEB C/C(=C\C(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32100539 QVSYGXAZORKJHS-UXBLZVDNSA-N 407.741 6.576 30 40 HKEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(Br)ccc2O)S1 59224166 OPHBYPRTSZAWLB-CHHVJCJISA-N 423.719 5.008 30 40 HKEB Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463683 ABURPAONVFIWCC-MFKUBSTISA-N 413.502 6.753 30 40 HKEB CCCCCCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 102561945 QAYNZAPXXLDSDV-UHFFFAOYSA-N 422.382 6.617 30 40 HKEB Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 103861392 YPFLGGBUKXSHGM-CVKSISIWSA-N 413.546 6.420 30 40 HKEB COC(=O)c1ccc(/C=C2\CCCCC/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 226758267 SRBFDSLLLLGLLU-LKNRODPVSA-N 418.489 5.260 30 40 HKEB C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 263592867 APTGJECXMIKIET-JRJSASDPSA-N 410.598 6.014 30 40 HKEB C=CCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 408705931 QNZNBXRMEDRRHW-UHFFFAOYSA-N 405.881 5.560 30 40 HKEB COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1C 408846490 NQSBBUJQOSONMY-MXAYSNPKSA-N 408.523 5.218 30 40 HKEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409067578 FNAFAVKCTOEKQD-VCHYOVAHSA-N 420.317 5.795 30 40 HKEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 2081482 ZQJOPIFBUMYDLN-VSGCLNPGSA-N 409.511 5.331 30 40 HKEB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 4694010 ZSTREWVGCIYAPU-ZMOGYAJESA-N 401.293 6.027 30 40 HKEB CCCCCC[C@H]1C=C[C@H](CCCCCCCC(=O)O)C(C#N)(C#N)C1(C#N)C#N 4722260 JHXZJCCNJJAREJ-SFTDATJTSA-N 408.546 5.641 30 40 HKEB COc1ccc([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC 4944848 WKYNKYCDGYCPMA-GOSISDBHSA-N 419.521 5.176 30 40 HKEB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1cccc(C#N)c1 5242824 WVYAGNWWBBIJMS-INIZCTEOSA-N 410.502 5.288 30 40 HKEB C#CCOc1c(Cl)cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC 7333537 MKAREXYQKNUNMB-ZSOIEALJSA-N 407.278 5.209 30 40 HKEB CCCCCCCSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccccc1-2 8453163 LUOKSUPZCPMKRH-HXUWFJFHSA-N 407.543 5.499 30 40 HKEB Cc1ccc(Cl)cc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 13134871 OQXUTJOBUYTIHI-UHFFFAOYSA-N 420.925 5.360 30 40 HKEB O=C1N/C(=N/c2cc(Cl)ccc2Cl)S/C1=C\c1ccc(Cl)cc1Cl 13880971 KEOQCFFVLHLSSC-RZNTYIFUSA-N 418.132 6.192 30 40 HKEB COc1ccccc1CN/N=C/c1c(OCc2ccc(C#N)cc2)ccc2ccccc12 20763486 APULZAPGNJRKSD-UXHLAJHPSA-N 421.500 5.423 30 40 HKEB CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N 33011140 KMTXARRCYDGILR-UHFFFAOYSA-N 403.507 5.058 30 40 HKEB COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 33428421 WLVUOPATIGFGQQ-ZHZULCJRSA-N 404.893 6.140 30 40 HKEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)c1 59459445 CWBMQTLQEXJJBS-NDENLUEZSA-N 418.474 5.153 30 40 HKEB C=C1C(=C)[C@@H]2c3ccccc3[C@H]1c1c2ccc2c1C1c3ccccc3C2c2ccccc21 71782680 YIZNNYCSUZHZHF-JAJSBUCGSA-N 406.528 7.377 30 40 HKEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3CC)c2C)cc1 408692197 GVRMGZWIPPXAIA-PCLIKHOPSA-N 401.514 5.308 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC)c4ccccc34)S2)cc1 408951331 ISPUDZKTBUOCPJ-PXLXIMEGSA-N 418.518 5.529 30 40 HKEB COc1ccccc1Oc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 409103430 BKHJJFIGNAAXJL-OUKQBFOZSA-N 414.288 6.603 30 40 HKEB Clc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Br)cc1 409202453 QVEXXKXSSJAHMQ-YDZHTSKRSA-N 400.703 6.432 30 40 HKEB CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1 409216910 MGCSABBZXDGUFO-BUVRLJJBSA-N 410.311 6.177 30 40 HKEB COc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1Cl 1444195 PWCDLJAGRYGNAU-CNHKJKLMSA-N 419.500 5.330 30 40 HKEB CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc3ccccc13)Nc1ccc3ccccc3c12 2059367 FXPSLLYYUQMIJI-MUUNZHRXSA-N 403.525 7.303 30 40 HKEB CN(c1ccccc1)c1ccc(/C=N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 3291506 YKVUWPJDLFNHNY-DHRITJCHSA-N 423.303 5.537 30 40 HKEB COc1ccccc1[C@H]1C[C@H](C(C)(C)C)CC[C@H]1OS(=O)(=O)c1ccc(C)cc1 5052390 CTIKJEGHAWYEMW-JMUQELJHSA-N 416.583 5.708 30 40 HKEB C=CCOc1c(Cl)cc(C[C@H]2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 8306593 KAENCRJCWMNLPC-QGZVFWFLSA-N 419.308 5.148 30 40 HKEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(Cl)cc3)ccc21 9051797 BEJHTYHQSTVFAA-YVNNLAQVSA-N 406.821 5.264 30 40 HKEB Cc1ccc(-c2nc(SCc3cccc(Cl)c3)c(C#N)c3c2CCCC3)cc1 13161829 WLPWUYFWIBYVLQ-UHFFFAOYSA-N 404.966 6.753 30 40 HKEB COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)ccc3o2)cc1 13475884 HXTQAKTUHNYMGR-FOKLQQMPSA-N 423.812 5.521 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1cccc(F)c1)[C@@H]2c1ccco1 15826308 IGYPCVUMKKVXLR-RUZDIDTESA-N 416.496 6.235 30 40 HKEB CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C\c4ccc(Cl)cc4)c3c2C1 32679257 WWNJLRCVXBUHSD-RNSPVEPZSA-N 412.990 6.332 30 40 HKEB CCCCCCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 59500246 XTENUELFGTUELE-QUPMIFSKSA-N 423.560 7.249 30 40 HKEB Cc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1 95482067 JZVOGXDLKNNWQL-FSJBWODESA-N 407.267 6.022 30 40 HKEB CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 98008949 JOGZSNJPAGKFGP-RUZDIDTESA-N 417.553 5.991 30 40 HKEB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 118916187 NJWYLVQOSGELIN-LIZLJRNNSA-N 420.637 6.776 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1 408591851 KVLGYWSHLAPWKZ-WGOQTCKBSA-N 412.445 5.878 30 40 HKEB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccccc1 408910684 XRAVJYLBZVBTGS-KEHMSQLFSA-N 400.503 5.757 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2ccccc2C)C(=O)N1C1CCCCC1 408916857 ZZDBQTOYFVSHAP-OBUXZSPNSA-N 404.579 6.494 30 40 HKEB O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409049589 WWGVMPFLYAUYRI-BHGWPJFGSA-N 419.239 6.370 30 40 HKEB CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 409211233 LGMINEPHTINMHA-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc(C)c1O 409373116 LXDDFNXBYDWFBC-JXJWTFEASA-N 414.530 5.813 30 40 HKEB O=C(c1ccc(F)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242643 BJWOKZXNLKSNHU-UHFFFAOYSA-N 410.129 5.495 30 40 HKEB N#Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(NC(=O)Nc2ccccc2)c1 1403996 IBCFYEUDUHJUJN-UHFFFAOYSA-N 413.424 6.372 30 40 HKEB Cc1ccc2sc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 3083272 YPVSNABBUIPSSP-FSJBWODESA-N 423.335 6.490 30 40 HKEB Cc1cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(O)c([N+](=O)[O-])c1 3162804 WUTWTAKDMOJUDJ-FOKLQQMPSA-N 407.813 5.821 30 40 HKEB CC1=C/C(=N\N=C2\N=C(O)[C@@H](CC(=O)Nc3ccc(C)c(C)c3)S2)CC(C)(C)C1 4576663 KETIDCSLGGCMIB-UPMNJHNBSA-N 412.559 5.182 30 40 HKEB O=C(NCc1ccccc1)c1c(/N=C\c2c[nH]c3ccccc23)sc2c1CCCC2 4649355 BHCMJNUJDSUWKH-NTFVMDSBSA-N 413.546 5.789 30 40 HKEB CCn1cc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)c(C)n1 4651561 GSVVJZATHITTBT-OIKRAPIWSA-N 404.558 5.248 30 40 HKEB Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2ccc(Cl)cc2Cl)cc1 5648939 NODYBFJGYRNPRQ-MXAYSNPKSA-N 408.288 5.561 30 40 HKEB Cc1cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(O)c([N+](=O)[O-])c1 6503794 WVXOYHUCMVEBPY-WYMPLXKRSA-N 401.422 5.784 30 40 HKEB Cc1nc(SCc2cc(-c3ccco3)on2)c(C#N)cc1C(=O)Nc1ccccc1 8749688 CBBGXXBXZXFKPD-UHFFFAOYSA-N 416.462 5.054 30 40 HKEB Cc1sc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C#N)c1C 17091233 YFLDBEGVOHBSMT-UHFFFAOYSA-N 417.745 5.831 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1O 18086574 NIFFMRZCLAQLSQ-OYKKKHCWSA-N 412.555 5.154 30 40 HKEB O=[N+]([O-])c1ccc([C@H]2CCCC/C2=N/OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 29764071 VVKZNKQTINUECC-CHOFAJOMSA-N 421.812 5.526 30 40 HKEB CCOc1cc(/C=N\Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 32654846 QVSNADMGJLUAOF-MYYYXRDXSA-N 423.900 5.202 30 40 HKEB CC(C)(C)[C@H]1CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 38797055 FCYJQKNNOIQDPN-IGQVJXEMSA-N 424.501 5.976 30 40 HKEB COc1ccc(C(=O)/C(=C\Nc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1 100338217 QTLQKJJAHJCVIH-XNTDXEJSSA-N 417.305 5.024 30 40 HKEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100730848 PXKXUBYATLLJIS-MVERNJQCSA-N 424.690 5.978 30 40 HKEB N#Cc1c(Cc2cccc3ccccc23)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846967 AWHDUIRZYHBKKB-UHFFFAOYSA-N 407.304 5.436 30 40 HKEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc3ccccc3c2)c1 408589565 DUEHKZHTIRHCGA-WGOQTCKBSA-N 412.445 5.878 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 408818252 XHDATWOBMUHWNO-MXAYSNPKSA-N 413.304 6.070 30 40 HKEB CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 408851647 FCRWTQYAABVPDU-XYGWBWBKSA-N 421.566 6.069 30 40 HKEB COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408939098 LSPDPMMRJBHDNW-IUTUEQCBSA-N 424.544 6.589 30 40 HKEB CC[C@H](C)Oc1ccc(/C=N\c2cccc(I)c2)cc1Cl 409011773 HPAMDRFRUXOFDW-OEKFUPINSA-N 413.686 5.873 30 40 HKEB CCCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccccc1 409024702 UVURSZKSUFNPLJ-NXZXOXKRSA-N 403.507 5.197 30 40 HKEB COc1cccc(/C=N/c2cc(Cl)ccc2C)c1OCc1ccc(C(=O)O)cc1 409187253 OBPKQXXXKDDXSH-DHRITJCHSA-N 409.869 5.685 30 40 HKEB CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409217606 QPHLXMMPACLECU-CVKSISIWSA-N 422.912 5.679 30 40 HKEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc4ccccc34)c3ccccc32)o1 409389513 BTBVVRYBCPCOIO-JFLMPSFJSA-N 408.457 5.973 30 40 HKEB CCN(CC)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2CC(C)(C)CC3=O)cc1 2054310 QEUIHGYNAITZIF-NDEPHWFRSA-N 424.588 6.996 30 40 HKEB CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 2084052 AVJGWMYCJIGANR-CECLQJIQSA-N 420.622 6.720 30 40 HKEB COc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2cc3ccccc3o2)c1 3111531 AYYGMWCLPFVXNW-LOSJGSFVSA-N 400.430 5.343 30 40 HKEB biogenic COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 4458582 BPBWXYUJJPCQEA-XFEAKLGESA-N 404.510 5.041 30 40 HKEB Cc1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)ccc1[N+](=O)[O-] 5174156 XRQUHTPZLYICHQ-UNOMPAQXSA-N 405.435 5.055 30 40 HKEB Cc1ccc([C@H](Nc2ccccc2)[C@@H](C#N)N=C(c2ccccc2)c2ccccc2)cc1 5614206 KUYZSVXYXUNGMC-PXJZQJOASA-N 415.540 6.578 30 40 HKEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 8306514 SZTCFIPIIFKMDY-VWLOTQADSA-N 407.517 6.332 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c1OC 9209614 XFHZGVLFKPOVAG-UUYOSTAYSA-N 422.864 5.552 30 40 HKEB COc1cccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c1OC 12662805 IENRXIMBFYKZIS-QRVIBDJDSA-N 402.446 5.207 30 40 HKEB biogenic O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)c1ccco1 13779044 XFDDYLPWPVQPNL-LSCVHKIXSA-N 401.201 5.422 30 40 HKEB Cc1nc(SCC(=O)NC2(C#N)CCCCC2)c2cc(-c3ccccc3)sc2n1 21170217 JIYHHKLLLHXKHB-UHFFFAOYSA-N 422.579 5.102 30 40 HKEB O=C(/C=C\C1=C(N2CCCCCC2)Cc2ccccc21)c1cccc(Br)c1 33374210 WQHYKKYGPXYPCL-SEYXRHQNSA-N 422.366 6.031 30 40 HKEB C=CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccc(Br)cc1 41124440 GCPKTKBWOBAAAL-UHFFFAOYSA-N 404.308 5.173 30 40 HKEB Clc1ccc(-c2nc(N/N=C/c3ccc4nccnc4c3)nc3ccccc23)cc1 46085398 OMNTUAIRBORBOP-MZJWZYIUSA-N 410.868 5.339 30 40 HKEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)cc1 408859948 VZTWEMFZCYUIOC-MYKKPKGFSA-N 410.861 5.285 30 40 HKEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409054947 HJOHAAWGIDTLLI-GZTJUZNOSA-N 418.301 5.242 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C\c1cccc(OCc2cccc3ccccc23)c1 409085068 YRLMSKQCXLWRAA-KOEQRZSOSA-N 405.453 5.763 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 409202729 RQRAAKTWYMESIN-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1 409218687 XKPPDFSYURZUMG-ZVHZXABRSA-N 410.311 6.096 30 40 HKEB Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(I)cc1 829449 PPEGNXRARICXME-CIAFOILYSA-N 416.262 5.155 30 40 HKEB O=C(OCC#CCSc1nc2ccccc2s1)c1ccccc1Br 2260329 ZGOWXIMGGLYZTE-UHFFFAOYSA-N 418.337 5.011 30 40 HKEB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S 4024258 RYZOQJGBGALJTK-BNONEXONSA-N 403.680 6.501 30 40 HKEB biogenic O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccccc1F 5376935 UGAAYKDLJFYLHK-AUWJEWJLSA-N 400.784 5.390 30 40 HKEB N#CC1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)c2ccsc2)N2c3ccccc3C=C[C@@H]21 5800162 JGXSWBPHCGKRBU-ZLNRFVROSA-N 407.498 5.032 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 9427224 NDFLGRNMPRZZOX-QFIPXVFZSA-N 424.331 6.187 30 40 HKEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1 12406380 KVUCRAMYIJSUMC-KAYFCYQFSA-N 424.544 6.795 30 40 HKEB COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1 12637011 GLQYZAYMYOFNMO-JJFYIABZSA-N 410.828 5.683 30 40 HKEB CCN(CC)c1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 13548934 SHAOANQVYWOLSZ-BUVRLJJBSA-N 421.570 5.369 30 40 HKEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1c(F)cccc1Cl 14091780 CKSZXHVETVOVDO-UHFFFAOYSA-N 403.910 5.148 30 40 HKEB CCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 16689090 JWTFFCGDMSBXAD-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccccc3OC(F)F)c12 23967775 ULTVLORLOHWIMZ-OUKQBFOZSA-N 407.420 5.281 30 40 HKEB C=CCn1c(SCc2ccc(Cl)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O 32951145 NOWJUTNBYYUXIB-UHFFFAOYSA-N 421.953 5.534 30 40 HKEB C[C@@H](Nc1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N)c1ccccc1 33324454 JYOKPDQSDCGAEX-OAHLLOKOSA-N 419.868 6.212 30 40 HKEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)cc1 44973488 VINHBWOQGVUEOL-KRWDZBQOSA-N 408.571 5.070 30 40 HKEB CC/C(=C\C(=O)c1ccc(Br)cc1)Nc1cccc(Br)c1 59489024 YRKVCVLNPPPREC-RVDMUPIBSA-N 409.121 5.800 30 40 HKEB CCCCCCCCCCCCCCCCc1ccc2cc3ccccc3cc2c1 68563077 AMLHWCWDPHVSHB-UHFFFAOYSA-N 402.666 10.017 30 40 HKEB biogenic FC(F)(Br)CC(F)(F)CC(F)(F)CC(F)(F)Br 100474183 GNPVPYPPEXVCJN-UHFFFAOYSA-N 401.917 5.403 30 40 HKEB O=C(/C=C/C=C/c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 3182333 KYLPLWOISVCDBL-HPIZBCMHSA-N 411.888 6.301 30 40 HKEB C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1 3399003 GQUZPYQZMVCSCP-UHFFFAOYSA-N 411.530 5.773 30 40 HKEB C=C(C)C[C@H]1C=CC[C@@H](CC(=C)C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 4951276 DGSKIQFMHNWEFR-ILXRZTDVSA-N 403.382 5.112 30 40 HKEB S=C(N/N=C/c1c2ccccc2cc2ccccc12)NC12CC3CC(CC(C3)C1)C2 6584042 KGLQMMNYGOVDRI-JVWAILMASA-N 413.590 5.760 30 40 HKEB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1Sc1ccccc1C#N 7786474 QTFCNWHGFNZVCC-UHFFFAOYSA-N 414.574 7.209 30 40 HKEB O=C1CCCC2=C1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)Nc1ccc3ccccc3c12 8553921 HAPQAWBIISNXAD-AREMUKBSSA-N 409.464 6.042 30 40 HKEB C/C(=N\c1ccccc1C)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O 9034268 RZSFWYUFIOUYSE-WYMPLXKRSA-N 416.428 5.656 30 40 HKEB O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 9261525 UXMUQMRCJSNPGJ-PIDRKRQWSA-N 423.541 6.015 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2ccccc2o1 15018923 IXHWZUIWBCCOEB-UHFFFAOYSA-N 424.913 5.262 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Cl)cc1Cl)OCO3 18197422 FDSJCLVHXOAJNY-FQEVSTJZSA-N 416.304 5.923 30 40 HKEB CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820385 PXRQESOABXUIBI-UHFFFAOYSA-N 406.599 6.337 30 40 HKEB COc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c(OC)c1 33889978 IMRVUCXHGZYKGL-QFEZKATASA-N 418.884 5.413 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 51366987 NMXVGXJUXGIFNT-DZRHBTRISA-N 405.523 5.457 30 40 HKEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677333 HRSUSWNBXGDKQI-UHFFFAOYSA-N 407.470 5.096 30 40 HKEB COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 408723243 RWNJCRHEHMFAHU-MFKUBSTISA-N 404.922 6.890 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 408760565 AWTDNDZNANCMME-PXLXIMEGSA-N 401.535 5.548 30 40 HKEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408854041 WDDWXHJKHCACQW-BHGWPJFGSA-N 401.293 6.158 30 40 HKEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 408907956 QNSVFKYDLLUDBU-UXUFVDRESA-N 414.530 6.060 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1cc(C)ccc1C 408910880 LYRRGLHHFLPORS-DDOPLPCHSA-N 420.509 6.326 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)c1 408968110 UGOBKEJJQUNGGU-PKAZHMFMSA-N 402.538 6.319 30 40 HKEB C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409107466 VTWAVHJOWPERGB-FYJGNVAPSA-N 422.937 5.874 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409199211 BUGVFYDZAZSUNT-BRJLIKDPSA-N 404.724 7.285 30 40 HKEB NC(=O)Cn1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c2ccccc21 409386586 VICSXOATWDBVOP-LGJNPRDNSA-N 403.869 5.323 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCN1CCCCCC1 1260768 PRUCOUUHPZSVHB-UHFFFAOYSA-N 411.518 5.669 30 40 HKEB CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1565970 JQTJNQOWKSWYOR-VGOFMYFVSA-N 415.327 6.221 30 40 HKEB Cn1nc([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F 4897127 REYWXXITVRVMTG-XAFQUIJGSA-N 420.519 6.054 30 40 HKEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C)cc1 5499758 DWTBKEIYXRJPJN-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB N#Cc1ccc(/C=C2\S[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 6344970 ZFYNVSMOTSRFCM-AOLPSBPOSA-N 408.482 5.183 30 40 HKEB COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)ccc1OCC#N 7586902 SJLUFEVAGCYADQ-DUXPYHPUSA-N 401.249 5.329 30 40 HKEB C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 8765462 SREFBILUHULBKQ-FOKLQQMPSA-N 403.478 5.549 30 40 HKEB biogenic C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1 12587890 AYDLOOCOBYWYOO-LSHDLFTRSA-N 416.266 5.179 30 40 HKEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(C)c1 14082173 FRASTKCOYBZDIA-UHFFFAOYSA-N 412.946 5.132 30 40 HKEB CSc1nc(NCCc2ccc(F)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820446 YUHATRLMZOCCLS-UHFFFAOYSA-N 420.557 5.828 30 40 HKEB Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 27061642 KSJQSHHFSVUHSY-QFIPXVFZSA-N 412.489 5.296 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccc(C(=O)O)cc1 97464867 ZUKPTIXROMTLIL-QLIPUSLZSA-N 422.437 5.018 30 40 HKEB CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 98001207 QHTHAJRMUDAHQS-UHFFFAOYSA-N 416.565 7.171 30 40 HKEB biogenic Clc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 103842864 XBRPAYKTIZZVTN-OYKKKHCWSA-N 401.293 5.841 30 40 HKEB Cc1c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc2n1C 408809101 HWTLWXUJJYGBBB-MUUNZHRXSA-N 420.556 6.949 30 40 HKEB Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 408968979 FERRJDZLEJYELF-YZSQISJMSA-N 402.563 6.718 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C)cc1 409113691 FWAQAPUVBNZDOO-UHFFFAOYSA-N 417.549 6.322 30 40 HKEB C#CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409140911 FPKKHJGSHMNEQO-JAIQZWGSSA-N 424.884 5.152 30 40 HKEB Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 409215447 YWTZYIFUISNOLN-CFRMEGHHSA-N 414.730 6.741 30 40 HKEB COc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1Cl 409220846 GSDDVZRELKFUJC-SSDVNMTOSA-N 404.691 6.430 30 40 HKEB COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3OC)cc2)c1 409234300 KPQDLRSXZKEFEU-NLRVBDNBSA-N 418.493 5.083 30 40 HKEB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1268139 BEGJXUKMHNFNRY-MALLOTDXSA-N 421.349 5.712 30 40 HKEB CCCCOc1ccc(/C=C/C2=CC(=O)C[C@H](c3ccc(OCCCC)cc3)C2)cc1 2105760 CBJVCGUDTVVKIW-LAUDKDLHSA-N 418.577 7.131 30 40 HKEB biogenic C[C@H]1CCc2c(sc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2C#N)C1 2742246 HIAOAWDYAPFKTL-AOMKIAJQSA-N 418.587 6.217 30 40 HKEB Cc1ccccc1OCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4549348 SYHBFQLQQZUDKP-JJIBRWJFSA-N 405.454 5.197 30 40 HKEB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2 5897019 BOJPIAWJHOBWID-RMKNXTFCSA-N 408.866 6.353 30 40 HKEB Cc1cccc([C@@H]2N=C(Nc3nc4ccccc4s3)NC3=C2C(=O)CC(C)(C)C3)c1 5901034 UPCCRSRCZLSWML-NRFANRHFSA-N 416.550 5.360 30 40 HKEB CCOc1cc(/C=N/c2cc3nc4cc(N(C)C)ccc4nc3cc2C)ccc1O 6758661 XMHUGNMZLPJLIN-AFUMVMLFSA-N 400.482 5.012 30 40 HKEB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N(CCC#N)c1ccccc1 6840819 WQYQMVNTBPRVBN-GFCCVEGCSA-N 413.852 5.181 30 40 HKEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)c1 9332364 UVTFZNFHJVNNHV-MFKUBSTISA-N 410.502 5.805 30 40 HKEB CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1 32984144 WFNQQDMJFXNNDI-UHFFFAOYSA-N 403.503 5.207 30 40 HKEB Cc1ccc(F)c(S(=O)(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 72305605 LCCOJAJCGOCFTE-CQSZACIVSA-N 416.314 5.162 30 40 HKEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 100439737 HMLRNEOBKUDQNQ-NHFXJNLRSA-N 407.828 5.105 30 40 HKEB Cc1cc2c(cc1/C=N\c1sc3c(c1C(=O)NC1CCCCC1)CCCC3)OCO2 102789251 YFDUYZFYLBOJKR-MXAYSNPKSA-N 424.566 5.477 30 40 HKEB CC[C@@H](C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795801 HKPIYIZCTLYBFZ-RXMQYKEDSA-N 400.184 5.042 30 40 HKEB Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852531 HCHVSXXDXWHBLD-VROXFSQNSA-N 421.711 6.503 30 40 HKEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccc(Cl)cc3)sc1C2 409049382 WLEXKEYZYQANQJ-ZVBGSRNCSA-N 419.731 5.889 30 40 HKEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(F)cc1 409292564 HDUMXVKHLMWJBC-UHFFFAOYSA-N 411.358 5.104 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(F)cc3)o2)oc(-c2ccco2)c1-c1ccco1 409379198 VQIYLRTWNUPHEX-MZJWZYIUSA-N 412.376 6.821 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)s1 585293784 MEQHRAPXTJIUKF-FQEVSTJZSA-N 423.611 5.750 30 40 HKEB CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 3066607 YMPSEHNLJVRQFU-MZJWZYIUSA-N 423.343 7.850 30 40 HKEB COc1ccc(Oc2nc(-c3ccccc3Cl)cc(C(F)(F)F)c2C#N)cc1 4052740 YZFPEKHROXGDGG-UHFFFAOYSA-N 404.775 6.093 30 40 HKEB Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6571371 OQOWGTFRNPQZLL-UXHLAJHPSA-N 416.584 6.953 30 40 HKEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc4ccccc4n32)cc1 7496079 UVYOTSOGBBXOMJ-FQRUVTKNSA-N 405.501 5.760 30 40 HKEB CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)S/C1=N\c1ccc(C)cc1 8363030 YHTGKBNWQHJNHJ-NVTWWLNUSA-N 414.958 6.061 30 40 HKEB N#Cc1c(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 8843836 CDGIFNHHNUYCQO-UHFFFAOYSA-N 410.926 5.983 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2cccc3ccccc23)nc1-c1ccc(Cl)cc1 16734729 IAKVITXBOIDXCC-ZMOGYAJESA-N 420.925 6.021 30 40 HKEB CCCCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 18180230 ZNUZBVIMLQUXBZ-QHCPKHFHSA-N 411.545 5.967 30 40 HKEB CCOc1ccccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C)c2C)n1 32808527 WVJLWBXNCGUARK-BUHFOSPRSA-N 420.534 5.739 30 40 HKEB C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088203 ADZPBJGMKKXGQR-UHFFFAOYSA-N 403.410 5.327 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc1 97969557 PTGLGWAHRZKCGJ-XLNRJJMWSA-N 424.566 6.214 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1cccc(Br)c1 103550820 MRMFNFKIPDUGME-UHFFFAOYSA-N 419.081 5.686 30 40 HKEB COc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 408723622 YFZYOCRQZBPBDL-BUVRLJJBSA-N 415.474 6.145 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C/c3c(OCC)ccc4ccccc34)S2)cc1 408743347 VSIMZWKKCIMEBW-JCMHNJIXSA-N 418.518 5.529 30 40 HKEB CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408850916 GIPMCZVJWNEQRQ-BSFKBPBTSA-N 420.578 6.268 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1C 408869722 QOGAUOMXFPNMNS-SHSCQTOKSA-N 424.541 6.079 30 40 HKEB CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl 409017159 XDJHWZPJRGIBNN-YQNUULROSA-N 400.931 5.717 30 40 HKEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)c1 409021611 PUPAGTZQQMXUHS-MOSHPQCFSA-N 423.896 5.090 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccccc1Cl 409131693 KCUCMXUATDNMGH-UHFFFAOYSA-N 407.941 6.577 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409207854 BJFADOMWNJEUMC-LGJNPRDNSA-N 414.332 6.948 30 40 HKEB Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409213598 UMZQOUUUNLQYJK-WYMPLXKRSA-N 415.276 6.540 30 40 HKEB CCOc1ccc(Nc2oc(COc3ccc(Br)cc3)nc2C#N)cc1 934579 LMFKXNQDRNSCAW-UHFFFAOYSA-N 414.259 5.030 30 40 HKEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c(C)c1 5376587 RJTJURUBYGDJBQ-UDWIEESQSA-N 408.910 6.108 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 6149634 YBMCBMUGSLPCSO-QFIPXVFZSA-N 407.510 5.162 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ncccc2c1 12412069 XOMITWDDBSHNNB-YJOHERITSA-N 418.547 5.229 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccncc1 14163684 DSKQCHKVZNUBBE-MCMMXHMISA-N 404.901 5.175 30 40 HKEB CN(CN1C(=O)/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21)C1CCCCC1 14920698 YOQGDIGWCOJIRX-SZXQPVLSSA-N 415.459 5.395 30 40 HKEB CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 123333484 MKGZDUKUQPPHFM-AVCQKUFISA-N 410.686 8.009 30 40 HKEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226326198 SJEIPMVDSHVOTG-UHFFFAOYSA-N 414.082 5.125 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409037187 SKXHVIWBOFIJAF-GFXGDVFHSA-N 423.115 5.967 30 40 HKEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)S1 409066697 NTKJZBATCHDVMJ-ODLFYWEKSA-N 415.921 5.279 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1F 409067114 PFLFLLRTIJHRTP-OPEKNORGSA-N 420.366 5.606 30 40 HKEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1C 409095694 IIAXOQOGFOXEFE-AWAAXKIWSA-N 405.523 5.522 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409200685 JSGQGUIWRLOJBA-DHRITJCHSA-N 409.869 5.685 30 40 HKEB Cc1ccc(C)c(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 409214252 XBUNUKDKMLLCHA-ZMFRSBBQSA-N 414.383 6.773 30 40 HKEB CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C 409219239 OQUQORSCJZZWHB-KEBDBYFISA-N 411.137 5.978 30 40 HKEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 2413184 HWPLJOCCOOAPFJ-IUXPMGMMSA-N 422.358 5.964 30 40 HKEB Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)ccc3o2)cc1 3100738 CYDNZNKVQIFDND-SSDVNMTOSA-N 418.365 5.076 30 40 HKEB Clc1cccc(Cl)c1/C=N/c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 3111990 AMJZHVOAPBGFGN-KOZSXFMUSA-N 422.142 7.801 30 40 HKEB COC(=O)c1ccc(/N=N/C(=N\Nc2nc3ccccc3s2)c2ccccc2)cc1 4827779 VGYJPWSNHRAZMC-NANGTYGOSA-N 415.478 5.641 30 40 HKEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc23)C1=O 5091615 UUMHWIXMXAOLOJ-WCQPBMKCSA-N 415.562 5.782 30 40 HKEB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)F)cc1OC(F)F 5834722 LDNCVWGNTZUMNI-LIMNOBDPSA-N 411.182 6.032 30 40 HKEB C=CCc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1O 6275853 ACMZOUSSQPMXNT-XMMPIXPASA-N 402.538 5.959 30 40 HKEB CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 6416848 IBTRQFJLFQISNJ-OAQYLSRUSA-N 401.293 5.520 30 40 HKEB C=CCn1c(C)nnc1SCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C 7985565 BXLSWTMYOVSHAM-UHFFFAOYSA-N 421.570 5.050 30 40 HKEB Clc1nc2ccccc2cc1/C=N/Nc1ncnc2scc(-c3ccccc3)c12 9291335 DOWKIHIPAPLQLU-KBKYJPHKSA-N 415.909 6.006 30 40 HKEB COC(=O)c1ccccc1CSc1nsc(/C=C/Nc2ccccc2)c1C#N 100277831 VWTLCNOXYRUIHL-VAWYXSNFSA-N 407.520 5.176 30 40 HKEB COc1ccc(/N=C(\c2ccccc2Cl)N(C(C)=O)c2ccc(OC)cc2)cc1 101557136 CIVVQNIBNSSPCB-WJTDDFOZSA-N 408.885 5.489 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102881826 GOMHZTZHYBGVKG-YDJIHCHBSA-N 407.828 5.105 30 40 HKEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)s1 137372371 XHZRZHVYRRWKPM-NQDHANQRSA-N 421.547 5.097 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C 223472776 RSQBPOKEFNIZJX-MKIITAJQSA-N 417.578 5.942 30 40 HKEB C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 253617135 KOBCGCROWPFVMN-JDAKRHAISA-N 402.575 5.260 30 40 HKEB CC(=O)[C@@H]1[C@@H]([C@@H](C#N)C(N)=S)C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 254836589 KKCSMFAZRNSRNN-BVXLKACPSA-N 400.632 5.276 30 40 HKEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 408560154 BUSYUGJXJKECQJ-UHFFFAOYSA-N 421.010 5.670 30 40 HKEB CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408939145 LTTBDFPXSLRKEM-YBFXNURJSA-N 422.278 5.497 30 40 HKEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)c1 408966644 MTBJRUQARJXNRV-AFUMVMLFSA-N 410.901 5.683 30 40 HKEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 408986276 PJZHZKCGPRZHPU-ZHZULCJRSA-N 422.594 6.187 30 40 HKEB Cc1csc(N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)n1 409058888 ZDKKAJRGJVURMS-ZVBGSRNCSA-N 406.294 5.424 30 40 HKEB O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2)ccc1Sc1ccc(Cl)cc1 409111917 ACHJSXYMWVHUMF-UUYOSTAYSA-N 403.290 6.803 30 40 HKEB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1Cl 409208747 BWUUYPAMVZOZPC-DHRITJCHSA-N 413.304 6.070 30 40 HKEB Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1C 409213074 OFNGFRXNKSGRMG-DHRITJCHSA-N 412.302 6.535 30 40 HKEB COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409217638 RBGMEJQXBVCSEP-ZMOGYAJESA-N 410.857 5.895 30 40 HKEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2cccc(F)c2)o1 409292974 WBOAYIKUTUDZEP-UHFFFAOYSA-N 415.468 5.726 30 40 HKEB COc1cc(OC)c(/C=N/c2ccc(OC(F)(F)F)cc2)cc1Br 1087259 UDLYLFJFHQDMHD-ZVBGSRNCSA-N 404.182 5.116 30 40 HKEB O=C1C=CC2=N[C@]34CCCC[C@H]3[C@@H](c3ccc(O)cc3)C=C(c3ccccc3)N4C2=C1 2124303 KJRKWYATUZJVOU-KHVXQDHOSA-N 408.501 5.196 30 40 HKEB biogenic COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccccc1)c1c(ccc3ccccc13)N2 4708009 ZBNIQBAZEURMGW-ZJSXRUAMSA-N 411.501 5.440 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc2)cc1 5376555 COVLGZHSGXIBJA-HAHDFKILSA-N 414.530 5.774 30 40 HKEB Cc1ccc(C)c(-c2csc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C#N)c1 6029293 UYYPPEKOMLCYNA-UHFFFAOYSA-N 404.579 6.449 30 40 HKEB CC(C)c1ccc(/N=C(\O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 6784535 VCRXTNINWQSGNW-UHFFFAOYSA-N 400.525 5.309 30 40 HKEB C[C@H](Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N)c1ccccc1 8654622 RFGNFOXFNRWPIH-HNNXBMFYSA-N 419.868 6.212 30 40 HKEB CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4C)ccc3C2=O)c2ccccc21 9422338 HMPCFPDZLQPILD-AFUMVMLFSA-N 423.468 5.805 30 40 HKEB Cn1c([C@H](C#N)C(=O)c2ccc(-c3nc4ccccc4s3)s2)nc2ccccc21 9631151 RUFCDEOQWGOUPO-CYBMUJFWSA-N 414.515 5.402 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 13403922 MCCHTMOHYJPGQT-MNWSPLHSSA-N 420.465 5.082 30 40 HKEB Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccncc1 14163688 DSKQCHKVZNUBBE-XMHCIUCPSA-N 404.901 5.175 30 40 HKEB Cc1ccccc1COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O 28182541 REDADJXGYCTPTK-QFEZKATASA-N 409.485 5.990 30 40 HKEB N#Cc1ccc(CSCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 40120818 AHQSIEFJKKTMRR-OAQYLSRUSA-N 410.589 5.089 30 40 HKEB O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1cccc(Br)c1 55129796 WQHYKKYGPXYPCL-OUKQBFOZSA-N 422.366 6.031 30 40 HKEB CN(C/C(O)=N/c1c(Cl)cccc1Cl)Cc1ncc(-c2ccc(F)cc2)o1 82097264 XTUMATVDZQLZGK-UHFFFAOYSA-N 408.260 5.508 30 40 HKEB O=C(/C=C/Nc1ccc(F)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100417305 YPXNRRRCHXUBFE-VAWYXSNFSA-N 416.279 6.520 30 40 HKEB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 253497836 MNCABEXSEDNYIM-XMAHMTFUSA-N 421.625 5.719 30 40 HKEB biogenic CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OC 408916175 VPIKEGVZZKRYJU-NVZLDUMVSA-N 410.539 5.280 30 40 HKEB CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 409009942 IVAAFWUCILJNRA-OTWJJXBCSA-N 421.349 6.062 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409087201 BCWLDPUYSSAKQE-UNOMPAQXSA-N 424.283 5.917 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 409119703 SRTLSTZZLPGNFN-OPEKNORGSA-N 420.366 5.606 30 40 HKEB Clc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 409208616 CWVMGFLVULBANO-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)S/C1=N/c1ccc(F)cc1 409240889 QSGKLFRPZPMHDY-JBKGZACMSA-N 420.513 5.252 30 40 HKEB C=CCOC(=O)Oc1c(Cl)c(Cl)c(OC(=O)OCC=C)c(Cl)c1Cl 1675071 IXAHWOAPCWJTDO-UHFFFAOYSA-N 416.040 5.703 30 40 HKEB Fc1cccc(COc2ccc(/C=N/n3c(-c4ccccc4)n[nH]c3=S)cc2)c1 4690380 XNFRLFDRZVVWAF-ZVHZXABRSA-N 404.470 5.208 30 40 HKEB C=CCSc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5111235 OSOCGYDMYHSJPH-UHFFFAOYSA-N 401.626 5.927 30 40 HKEB COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O 5150129 AMIBTLYPXWAPMG-YUMLRZHGSA-N 402.421 5.586 30 40 HKEB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccsc1)C1=C(CC(C)(C)CC1=O)N2 5751304 VLWTZCAISCKMJP-FQEVSTJZSA-N 407.514 5.582 30 40 HKEB C[C@H]1CCc2c(sc(NC(=O)c3cc(Br)ccc3Cl)c2C#N)C1 6824555 ZAQYXHWGJUDPCV-VIFPVBQESA-N 409.736 5.413 30 40 HKEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1 9134099 ZMRSWOMDIMPUNV-FMCGGJTJSA-N 420.848 5.227 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 13115769 PXYDBIAHSCTWFF-OWCLPIDISA-N 418.994 5.055 30 40 HKEB C/C(=N/Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc(Br)cc1 13799791 MNQXXCRKUXRWGD-WGARJPEWSA-N 418.298 5.290 30 40 HKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(Cl)c1 14088261 OCQPHASBHVFMIF-UHFFFAOYSA-N 406.338 5.642 30 40 HKEB COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1OC 20196317 OUCUOONFNZFKQW-CVKSISIWSA-N 410.901 5.060 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1c(-c2ccccc2)nc2sc(C3CC3)nn12 41074079 HGRSQENHSKHSDQ-WSDLNYQXSA-N 416.535 5.391 30 40 HKEB CCCCCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 102565150 KDUBPABHCXWQDI-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB COc1ccc(C2=C(N3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3C2=O)cc1 103610972 UWZWOIJXIIUWNW-HXUWFJFHSA-N 424.544 5.279 30 40 HKEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1 408955655 YBUVUWBRLPZKBX-OMSSWJLUSA-N 423.925 5.373 30 40 HKEB CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 409200652 JFGRSJUHRDQXLM-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 409217240 TZBCXSCEYGQRDX-LQKURTRISA-N 415.920 7.140 30 40 HKEB Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1 1029763 GYROWOOFRZIWQZ-FOKLQQMPSA-N 423.266 5.728 30 40 HKEB O=C1C=CC2=N[C@@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 4025711 SNOJHUGTPWMMOU-QHWMMSMNSA-N 408.501 5.196 30 40 HKEB N#Cc1nc(-c2cccc3ccccc23)oc1N(Cc1ccccc1)Cc1ccccc1 5157930 CUWBEQKXVCKQRO-UHFFFAOYSA-N 415.496 6.573 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@@H]2c1c(F)cccc1Cl 5190808 ZUDZRLWCENETOC-HXUWFJFHSA-N 414.864 5.399 30 40 HKEB COc1ccc(C2=C(N3CCN(c4cc(C)ccc4C)CC3)c3ccccc3C2=O)cc1 6793407 USDARCVFJBRZML-UHFFFAOYSA-N 424.544 5.199 30 40 HKEB O=C(O/C(=N/c1cccc2ccccc12)c1nccc2ccccc12)c1ccccc1 17429207 BNLGBTZQLKKEMV-PBBVDAKRSA-N 402.453 6.323 30 40 HKEB CC[C@]1(C)Cc2c(sc(/N=C/c3ccc(Br)cc3)c2C(=O)O)CO1 20100214 VIJDRVLJUNWOON-DZZWEGAPSA-N 408.317 5.201 30 40 HKEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366033 GRONKESKVLEQQO-BDTNDASRSA-N 415.924 5.482 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(OC)cc1 96936316 XHJFJIRLJHBZHC-WFXBMRRRSA-N 423.582 5.555 30 40 HKEB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 408563958 STZIONFYISMRIY-YLSINNKHSA-N 407.398 6.825 30 40 HKEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1CC 408930780 BXSOXKDGBFIWTP-XZKXACHFSA-N 416.546 5.731 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC 408935270 CLCFOUFJHUFPAY-TYEAGAAJSA-N 424.544 6.671 30 40 HKEB Cc1cccc(C)c1/N=C1\S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1 408973326 LNGHNQWBQBWOCK-BNUIPMERSA-N 418.949 6.765 30 40 HKEB C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1 409113618 DWSGCDRMWHYTTB-UHFFFAOYSA-N 421.968 6.967 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 409182923 QDEVMIWWONPNMZ-CVKSISIWSA-N 415.424 5.912 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409199740 DCNWLPLKNIFXCF-CVKSISIWSA-N 422.912 5.815 30 40 HKEB COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409213195 PBNMGOWGZDMBBP-ZMOGYAJESA-N 414.274 5.926 30 40 HKEB COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 1077293 DMRCRSNWHYGCAU-WINIVTDRSA-N 410.517 5.983 30 40 HKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 5370410 NKPCGAOAWVPOES-ZRXDBSCUSA-N 417.509 5.632 30 40 HKEB C/C(=N\NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccn1 5602105 MJNJEOXBGASXPW-XIEYBQDHSA-N 401.406 5.701 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)nc1 8385902 YYCITGJQKKGNSH-VYYCAZPPSA-N 421.460 5.592 30 40 HKEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccco1 9264186 JOXHVVLLFSQHJG-XMMPIXPASA-N 414.461 5.109 30 40 HKEB Cc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1Br 10118854 KUGOKHKSCQYYEI-AWQFTUOYSA-N 416.544 5.297 30 40 HKEB Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 13552722 UPFGHIIEFMGXHU-SZNDQCEHSA-N 424.859 5.439 30 40 HKEB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl 33957390 XQQADLVGNFCRTE-NBZPJIFTSA-N 424.947 6.516 30 40 HKEB Cc1ccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c(C)c1 35311735 CXUJYQYKRXPULW-UHFFFAOYSA-N 417.582 5.129 30 40 HKEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 51366970 WCTSUQOMKZPMGE-MNWLEOAJSA-N 407.583 5.636 30 40 HKEB Cc1ccc(C(=O)/C=C(/Nc2cc(Cl)ccc2O)C(=O)c2ccc(C)cc2)cc1 100134881 KMOZFHORYTXUEY-KGENOOAVSA-N 405.881 5.724 30 40 HKEB C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 102938069 AEFXIBIKXVEEHM-PAMTUDGESA-N 410.546 7.359 30 40 HKEB COC1(O[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CCCCC1 118927484 QVDKTVDGDYZESK-YDUAIELLSA-N 400.603 6.210 30 40 HKEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 219781274 ZNPXCVCOHHNOKI-IBGZPJMESA-N 414.505 5.385 30 40 HKEB C=CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224615114 FZFKSPMFWLXOLT-JWGURIENSA-N 418.518 5.031 30 40 HKEB CCCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 408912919 MDPJBPPCZLURGO-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB CCCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 408913421 QTCJBMGWMQZWMM-OQNHBUHUSA-N 422.594 6.434 30 40 HKEB Cc1ccccc1NC(=O)COc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1 409020220 MTRVVRWOHNYAKS-WGOQTCKBSA-N 410.477 5.007 30 40 HKEB Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 824722 JSORAKBESPRUQL-CVKSISIWSA-N 423.428 6.722 30 40 HKEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc12 977016 UKCSWHQTGGRFKK-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB Fc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 1093533 GDKQEIIXYUEAHX-OGLMXYFKSA-N 413.496 5.416 30 40 HKEB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCC2)cc1 2648206 MYHZZJSHYGGVPH-UHFFFAOYSA-N 416.594 6.522 30 40 HKEB COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc(OC)c1O 3241381 OGGKWLBQGXYGCW-ZMOGYAJESA-N 404.491 5.745 30 40 HKEB S=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccc(Cl)cc1 9296302 XNGHKHJXDVWXON-ZVHZXABRSA-N 420.925 5.722 30 40 HKEB N#Cc1nc(-c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 19898559 XNMJWGZTZBRRCQ-UHFFFAOYSA-N 420.516 5.125 30 40 HKEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1cccc(Cl)c1 20763172 RDFQNBVWAFNRPQ-CVKSISIWSA-N 424.928 5.450 30 40 HKEB COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1Br 59502996 AVJCIUIQJYYMEK-OQLLNIDSSA-N 423.719 5.003 30 40 HKEB CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 68568991 BZXYGAPQWWVULL-CYYJNZCTSA-N 414.977 8.364 30 40 HKEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 100354115 RLQQAIRTBBHEMF-QQXSKIMKSA-N 404.535 5.316 30 40 HKEB CCCCCCCCCCCC1=C(O)C(=O)C=C(Nc2ccc(C(=O)O)cc2)C1=O 100393415 DLQBMQYBKLWILL-UHFFFAOYSA-N 413.514 5.565 30 40 HKEB biogenic,in-vitro CCCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 102568344 CWMVXUCKOOITAJ-UHFFFAOYSA-N 410.385 6.641 30 40 HKEB C=CCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408557419 NHJAICCKWHSUDW-GOSISDBHSA-N 424.747 5.446 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408855737 CVYMTQJQAYMLGD-MNUWZKAXSA-N 410.970 6.523 30 40 HKEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 408907559 BJQSOAQJSWCGPH-FNXXDVGZSA-N 406.551 5.962 30 40 HKEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C 408913803 NXNFMDRWJWWBSE-OGLMXYFKSA-N 423.516 6.595 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 408914858 YFDHYHJEXIXATQ-LISDSOCTSA-N 406.482 6.018 30 40 HKEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(OC)cc1 408962495 YPBLMJTWAYXXSB-HNYZTYFESA-N 421.566 5.228 30 40 HKEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 409101506 XXTLUBMQDBUHKW-OVVQPSECSA-N 416.521 6.155 30 40 HKEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409107843 RGWBDLUKBSNKIH-FSJBWODESA-N 402.302 6.593 30 40 HKEB COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409212648 RGRWQNCWIIYOFE-AFUMVMLFSA-N 408.885 5.425 30 40 HKEB C=CCc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OCC)c1OC 409347007 PHAXRWZTOVTUSG-RGEXLXHISA-N 417.596 5.356 30 40 HKEB C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1cccc2ccccc12 584905953 JYRIZQSHQFRKKY-UHFFFAOYSA-N 411.357 7.095 30 40 HKEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 662105 UKCDMOYBPQVHGK-UHFFFAOYSA-N 423.925 5.322 30 40 HKEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1 2634141 JVAVJIMUCLSUBM-UHFFFAOYSA-N 409.902 5.127 30 40 HKEB Fc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 4154905 IENPFFXERHRGCN-AWUWXFTQSA-N 419.503 6.932 30 40 HKEB CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5336630 AHSAQRLLZMVWMN-HEJICQEHSA-N 408.611 5.321 30 40 HKEB O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccccc2o1 6346307 VGLMCLJWUMEOPF-LVZFUZTISA-N 415.492 7.799 30 40 HKEB COc1ccccc1CN/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 20763512 VRNLPSBGCBDUMT-JFLMPSFJSA-N 403.913 5.475 30 40 HKEB N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccc2c(c1)OCO2 27562279 WPSPNPIVQMIBMO-UHFFFAOYSA-N 409.445 5.067 30 40 HKEB CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2C)o1 36611373 AUPDDRCYJJJTMK-LPYMAVHISA-N 408.483 5.013 30 40 HKEB CCCCCCCCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 97953138 PDBCEABWXFNVJG-UHFFFAOYSA-N 424.589 6.120 30 40 HKEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/CC23CCC4C[C@H](C[C@@H](C4)C2)C3)c1 100483608 YFQLMBQMQOSMSL-FFIGEMPRSA-N 407.308 5.088 30 40 HKEB CC1(C)C[C@@H]2C[C@](C)(CN2/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 100970564 AWSVALBOQMCMAS-LXUNANMISA-N 423.560 7.046 30 40 HKEB CCOc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 102935812 KOVZGIXRXRIFNO-PCLIKHOPSA-N 405.450 5.072 30 40 HKEB CCCCCCCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 102967665 SBQIVGVYTYMNNS-UHFFFAOYSA-N 418.710 7.736 30 40 HKEB CCCCCCCCCCOC(=O)C[N+]1([C@H](CO)Cc2ccccc2)CCCCC1 105020877 MVWUYYXVAVUIKX-VWLOTQADSA-N 418.642 5.275 30 40 HKEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(C#Cc4ccccc4)=CC[C@H]32)C1 253612223 CKXFHIVEFDOLKD-DHWIROBRSA-N 416.605 6.549 30 40 HKEB C#CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409118698 QLXYVEJEXLTQSP-UYRXBGFRSA-N 410.311 5.004 30 40 HKEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc(Br)cc2)n1 704883 HBTXGOGAPPVOGE-UHFFFAOYSA-N 415.234 5.018 30 40 HKEB C=CCn1c(SCc2c(C)noc2C)nc2sc(-c3ccccc3)cc2c1=O 710372 RMVRPWYXPKDEHW-UHFFFAOYSA-N 409.536 5.208 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(O)c3ccccc3C1=N2 1261938 BNIDZXQJBOWZRK-XMMPIXPASA-N 403.481 6.230 30 40 HKEB CC1([C@@](O)(C#CC[N+]2(Cc3ccccc3)CCCCC2)c2ccccc2)CCCC1 2283156 LRTSTYPAORHSQD-MUUNZHRXSA-N 402.602 5.659 30 40 HKEB Cc1ccc2sc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4O)cc3)nc2c1 3083459 QQIHTTOAMNPPCQ-FOKLQQMPSA-N 423.881 6.290 30 40 HKEB Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2Cl)c(O)c1Br 3114096 QYMAMAIZXSAJGT-CGOBSMCZSA-N 407.522 6.482 30 40 HKEB C=CCn1c(SCc2nc3ccccc3nc2C)nc2scc(C3CC3)c2c1=O 3444461 WCWMIKQIAGLWMW-UHFFFAOYSA-N 420.563 5.065 30 40 HKEB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 4181715 UAYSIFNVDLISKS-LOSAIZEKSA-N 407.561 6.638 30 40 HKEB O=S(=O)(/N=C(\Nc1ccc(SC(F)F)cc1)c1ccccc1)c1ccccc1 6250913 IRRKQOUZNGACNZ-UHFFFAOYSA-N 418.490 5.249 30 40 HKEB CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 58268823 AYYRDXJBSDULCB-LVZFUZTISA-N 420.556 6.953 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 97991480 SKTNRORUOKHXMG-YVNNLAQVSA-N 420.303 5.228 30 40 HKEB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1SCC(F)(F)F 102706402 ZKENAQKZORDKCP-UHFFFAOYSA-N 415.305 5.218 30 40 HKEB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CC(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 103876429 ZKIHPMHVQZGSRY-IXYOQLSYSA-N 420.658 5.052 30 40 HKEB O=c1[nH]c2ccc(/N=C\c3cc(Cl)cc(Cl)c3OCc3ccccc3)cc2[nH]1 109735410 YMONKRMDTSSKJB-MYKKPKGFSA-N 412.276 5.493 30 40 HKEB COC1(O[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)CCCCC1 118926395 AGGYYWICUTUTCC-RKZKCKSWSA-N 400.603 6.066 30 40 HKEB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)C(=O)[C@@H]21 137970764 IRZSCNFOEAMGDU-LFAAOWADSA-N 422.594 5.253 30 40 HKEB Cc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 253612730 IMNDFBDCURASER-UWDQQESISA-N 419.589 5.445 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 408886359 KGXRYEPZJAXBLU-NDENLUEZSA-N 419.462 5.363 30 40 HKEB COc1ccc(/C=C/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 408966605 PMGZFWDONVNOOP-OXBUZNMBSA-N 405.306 5.450 30 40 HKEB Clc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)s2)cc1 409021989 BQCRIMMIIPGSRC-PCLIKHOPSA-N 405.975 7.970 30 40 HKEB Cc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(Br)c1 409092934 WYPLRHMZNAORJV-WGARJPEWSA-N 424.382 6.682 30 40 HKEB CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409200001 GKYYNHUSUCWZEU-CVKSISIWSA-N 422.912 5.815 30 40 HKEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(F)cc1 409303853 KCMOABSOJDZSDD-UHFFFAOYSA-N 417.827 5.484 30 40 HKEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409339912 ZSMDJBSRGCLDET-WOJGMQOQSA-N 417.939 5.319 30 40 HKEB O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)Cc2ccccc21 409368033 QIVOREGDGVIJML-LDADJPATSA-N 418.323 6.819 30 40 HKEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 5551616 OFUBWBZKCQPOMW-SXGWCWSVSA-N 410.848 5.813 30 40 HKEB CCCCC1=C(C)C/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@@H]1CCCC 5732190 WNRAOAAOTUQJHI-NLOPELSHSA-N 416.522 6.624 30 40 HKEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8820927 ZVOZXXBDWLMGCE-WOJGMQOQSA-N 415.301 6.145 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 11865110 LWZJIAVLEMDFEL-MQKZQLNTSA-N 424.452 5.538 30 40 HKEB biogenic Cc1ccc(-c2nc(/N=C/c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463801 OKLJRTQBSSULEN-YDZHTSKRSA-N 403.463 6.346 30 40 HKEB CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 62238204 IFYDZTDBJZWEPK-RUZDIDTESA-N 412.699 8.424 30 40 HKEB biogenic,in-vitro Cc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1[N+](=O)[O-] 83295709 KKUOOXBCISQINT-ZSOIEALJSA-N 408.266 5.102 30 40 HKEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 198084757 MAFMYPYSFGNTIV-ZXCVBSDHSA-N 405.767 6.575 30 40 HKEB C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 408884444 UKKKCPOJZUWBCQ-ILMQGDNJSA-N 402.563 6.426 30 40 HKEB N#Cc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811705 GTUOEGMIPSNDAU-UHFFFAOYSA-N 401.175 5.041 30 40 HKEB COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC[C@H](C(C)(C)C)C2 756946 DEQCKRPLMSUCBS-ZDUSSCGKSA-N 400.569 5.098 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccccc1[N+](=O)[O-] 799210 SRQIPVUZRTWCNN-UHFFFAOYSA-N 415.396 5.840 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1 1077486 PTWJTSZVMVQGEI-AFMDSPMNSA-N 414.936 6.628 30 40 HKEB CSc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 1268044 XWRIRNOWANNYKN-FQEVSTJZSA-N 401.531 5.921 30 40 HKEB C=C(Br)CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 1829380 OWDZEUKFRXNOJR-SNVBAGLBSA-N 412.422 5.425 30 40 HKEB CC/C(=N/Nc1ccccc1)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 4419627 CGAPVIWWRZMQAI-RWEWTDSWSA-N 417.534 5.413 30 40 HKEB CC(C)CC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1 4551539 FHAYBRBQEFZHQC-UHFFFAOYSA-N 423.516 6.320 30 40 HKEB Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2)cc1 5376560 XIMPMDJFZVGPJT-HMAPJEAMSA-N 418.493 5.605 30 40 HKEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)cc1 8844497 VFESFRSTWTZFMC-UHFFFAOYSA-N 411.461 5.256 30 40 HKEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 10118957 LZPLVDOPPAZMLC-CVKSISIWSA-N 409.917 5.048 30 40 HKEB Cc1ccccc1/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1C 15018326 RNYKZZOKIPZASS-YWROOUKNSA-N 400.503 5.818 30 40 HKEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15107110 VXBRJYCESMOVCD-KRWDZBQOSA-N 405.475 5.152 30 40 HKEB COC(=O)c1ccc(NC(=O)c2c(/N=C/c3ccc(C)o3)sc3c2CCCC3)cc1 15945838 ZFZUEUPUYWLTMB-ZMOGYAJESA-N 422.506 5.318 30 40 HKEB Clc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 19682410 MCNKNEUWFPOBKM-JVWAILMASA-N 422.359 5.715 30 40 HKEB N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2cc(Cl)ccc2s1 71810553 JFDHDXGVYHBKMU-GFCCVEGCSA-N 414.273 5.748 30 40 HKEB O=C(NC1CCCCC1)c1c(/N=C\c2cccc3ccccc23)sc2c1CCCC2 100958827 NLGRIBCHQMYIMP-PKAZHMFMSA-N 416.590 6.593 30 40 HKEB COc1cc(/N=N\c2ccccc2)cc(/C=N/NC(=S)Nc2cccc(C)c2)c1O 104276380 KFENKUVOVKNVQH-WRIATZMJSA-N 419.510 5.445 30 40 HKEB C=CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226327069 PIQLRGKETQAEBR-UHFFFAOYSA-N 416.098 5.678 30 40 HKEB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCc1ccccc1 253498649 HHSXYDOROIURIP-YBMGUYPWSA-N 420.593 6.063 30 40 HKEB biogenic CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1O 408860798 FINFNLZKQFWYLM-SXGWCWSVSA-N 423.321 5.298 30 40 HKEB CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(N(C)C)cc1 409009663 BDGATOLGOAHXIQ-RFWMZAAKSA-N 421.497 5.386 30 40 HKEB C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 409118762 UQEGBSROJUTSLS-UHFFFAOYSA-N 421.512 6.153 30 40 HKEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409324075 QYEWIKUOADPXHO-NVRYOESGSA-N 410.315 5.220 30 40 HKEB COc1c(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409402666 ISNMNSNFHCCMRF-UHFFFAOYSA-N 424.287 5.261 30 40 HKEB Cc1cccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)c1 850140 WGNFAZWBRIQBTF-UHFFFAOYSA-N 419.575 5.600 30 40 HKEB C[C@H]1N(C)c2ccc(/C=N/c3ccc(Cl)cc3C(=O)c3ccccc3)cc2C1(C)C 3215355 IKAIKUCDZARLGP-TXMABLNQSA-N 416.952 6.438 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\c1c(OCc2ccccc2)ccc2ccccc12 4550931 WEHAEYQGJLSVRU-WGOQTCKBSA-N 409.514 6.475 30 40 HKEB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1Cl 6524089 YNVCJSGLQPABDN-XVHFUQRGSA-N 406.957 6.377 30 40 HKEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc4ccccc4n2[C@@H]3c2ccccc2)cc1 7496189 AMQNIPXNHBQKFB-RXFWQSSRSA-N 405.501 5.760 30 40 HKEB Cc1cc(C)cc(Nc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)c1 11865075 FFHROXDWEOQFHF-UUYOSTAYSA-N 420.306 6.426 30 40 HKEB C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 14081362 JNKSJDSHIYQEOW-UHFFFAOYSA-N 420.763 5.839 30 40 HKEB O/C(CN1CCC[C@H]1c1cccs1)=N\c1nc(-c2ccc(F)c(F)c2)cs1 23908031 CAJDKQZQUDCMIY-INIZCTEOSA-N 405.495 5.575 30 40 HKEB C=CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32623674 BCHGBHDWADJZRB-UHFFFAOYSA-N 415.424 5.360 30 40 HKEB COc1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1Cl 59104914 WDAMUOQHEAMQFD-FSJBWODESA-N 417.734 6.269 30 40 HKEB Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 59302726 ZSOOFTGUTQIUCB-SSDVNMTOSA-N 420.759 7.214 30 40 HKEB CCOc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(OCC)cc4)cccc23)cc1 97960672 OTTIRVSANNGZRN-CZYCKNNWSA-N 422.528 7.138 30 40 HKEB CCCCCCCc1c(Cl)nc(-c2ccc(OCCCCCC)cc2)nc1Cl 101005285 RXBOZPVKNZZNMX-UHFFFAOYSA-N 423.428 7.922 30 40 HKEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102511468 SGAPYMLXELPUIH-NHFXJNLRSA-N 424.283 5.620 30 40 HKEB CC(C)c1ccc(NC(=O)CSc2ccccc2/N=C/c2cccnc2Cl)cc1 215718297 RYOVTFWPHQQTGY-VULFUBBASA-N 423.969 6.340 30 40 HKEB C=CCOc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225607859 OASSKMOLXWQORO-UHFFFAOYSA-N 407.004 5.515 30 40 HKEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 408754386 KDBIZPIJPNAHIK-HMAPJEAMSA-N 416.502 5.603 30 40 HKEB COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 408771868 JTBCCRSVOHIRRN-OGLMXYFKSA-N 414.480 6.785 30 40 HKEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1OC 408902767 REHOPYFBDFOETM-XMHGGMMESA-N 411.548 5.228 30 40 HKEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)N1CC 408928849 FIOZNHMOAMQBJD-UQRBVYKBSA-N 403.551 5.559 30 40 HKEB Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C(C)(C)C 408963455 BSTHNLVOHLDUGL-MHWRWJLKSA-N 422.381 6.058 30 40 HKEB COc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1OC(C)C 409018994 ZWGUWHCNJPEFGR-BOPFTXTBSA-N 402.903 5.027 30 40 HKEB C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc(C)cc1 409117816 OFZBOVNKBXRGAD-UHFFFAOYSA-N 415.577 6.876 30 40 HKEB CC(=O)c1ccc(NC(=O)CNc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1 3322282 HRSYUPXCQOYUCK-QFIPXVFZSA-N 417.896 5.249 30 40 HKEB Cc1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 4828182 QUKVGXRCISBREJ-FKIVBMLTSA-N 415.540 7.101 30 40 HKEB C[C@H](/C=N/n1cnc2c([nH]c3ccc(Cl)cc32)c1=O)Cc1ccc(C(C)(C)C)cc1 4863007 PWAWKCFXJDJRMH-OWAQKBPCSA-N 420.944 5.541 30 40 HKEB CCCCN1c2ccccc2Sc2cc(/C=N/Nc3ccc4ccccc4c3)ccc21 5503631 GRLSSIQDQYLPIM-TURZUDJPSA-N 423.585 7.689 30 40 HKEB CO/N=C1/CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 5715716 CHNBWGCZJBZRBU-VZDDIQIXSA-N 415.706 8.110 30 40 HKEB CC/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C1/C[C@@H](C)CC(C)(C)C1 6378124 PHGZOHUNUHVAKK-QLDABKOPSA-N 401.576 5.205 30 40 HKEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCC2 17023302 BGZUNEWFFZHVSO-KEBDBYFISA-N 408.317 5.022 30 40 HKEB CCCCOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2Cl)cs1 17086111 IQKKIRYCAFJFGB-FSJBWODESA-N 420.365 6.742 30 40 HKEB COc1ccccc1CN/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 20763476 UYTPVCRDCCVELI-UXHLAJHPSA-N 421.500 5.423 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)c1ccc(F)cc1)c1ccccc1N2 30823027 HHNCTLFKIGPZGE-HSZRJFAPSA-N 402.425 5.239 30 40 HKEB C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225932222 XCKBTUPLQCDXRO-UHFFFAOYSA-N 405.925 6.509 30 40 HKEB CCc1cccc(C)c1-n1c(C)cc(/C=N/N(c2ccccc2)c2ccccc2)c1C 408857199 NQAOJIWPWUNVCE-ZTKZIYFRSA-N 407.561 7.137 30 40 HKEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)S2)cc1 408949616 BOHCGQZYWNPZNI-XDHOZWIPSA-N 416.930 5.418 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408963117 MSHVTQKGGAIGGD-UDWIEESQSA-N 424.909 5.809 30 40 HKEB CCc1ccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 409031129 IXIHPYXNMUFJKM-KALUYTGESA-N 409.349 5.370 30 40 HKEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1 409083974 UZVWISGKWOMPPC-PRMAFZJDSA-N 410.926 5.366 30 40 HKEB C=CCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OC 409120012 SEHZCWVMMRDGMQ-UHFFFAOYSA-N 423.294 5.094 30 40 HKEB CCCCCCCC(=O)CCC1=C(O)C[C](O)[C@@H]1C/C=C/CCCC(=O)OC(C)C 1560406279 YJNCKNQGPUMJMU-OGECGYFKSA-N 421.598 6.501 30 40 HKEB N#Cc1c(/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)sc2c1CCCC2 1082966 KZWRJUAFFQGMCA-BHGWPJFGSA-N 410.882 5.861 30 40 HKEB O=C1CCCC2=C1C(c1ccc(OC(=O)c3ccccc3)cc1)C1=C(CCCC1=O)O2 1462452 JXRXKSHWOALUEB-UHFFFAOYSA-N 414.457 5.034 30 40 HKEB O=C1C=C[C@@H](Nc2ccc(Cl)c(Cl)c2)[C@@H]1Nc1ccc(Cl)c(Cl)c1 1588910 IBHDFXRFDFEFAS-WBVHZDCISA-N 402.108 5.700 30 40 HKEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1 2075440 RBLCPKJFXJPVLK-UHFFFAOYSA-N 406.510 6.262 30 40 HKEB CCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 2393878 NKYUCIVWCDMMOA-UHFFFAOYSA-N 420.488 5.422 30 40 HKEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3238788 HTZFVRWLEKAZQI-UHFFFAOYSA-N 414.848 5.314 30 40 HKEB CCCCCCN(C)CCC[C@](C#N)(c1cc(OC)c(OC)c(OC)c1)C(C)C 3776567 SKDZEFVVFACNLS-XMMPIXPASA-N 404.595 5.422 30 40 HKEB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N/N=C\c2ccccc2Cl)n1 4480116 OCRXMMJREZSVPD-VROXFSQNSA-N 411.214 5.915 30 40 HKEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 4750937 NMSRPIBTBDJFSE-MERZFDJJSA-N 401.378 5.150 30 40 HKEB C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1occc1C 6602900 CRYJXPAXLMWVTI-OAHLLOKOSA-N 406.511 5.186 30 40 HKEB CC(=O)Nc1sc(N/N=C/c2ccc(Cl)cc2Cl)nc1-c1cccs1 8743724 QGQRDUJQKVNHLI-UFWORHAWSA-N 411.339 5.583 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1)c1ccccc1N2 9264202 MEKSSJHXALAWPN-HSZRJFAPSA-N 418.880 5.754 30 40 HKEB COc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1CN1CCCCC1 13075262 NMIMXMQCUFRLDR-CSKARUKUSA-N 404.337 5.884 30 40 HKEB C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccc(C)cc1 13689606 OTAXUTZLCGDBLT-XMMPIXPASA-N 420.578 6.503 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 20762174 HQZYBXUOZJABOX-LQKURTRISA-N 417.940 5.784 30 40 HKEB COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 20763545 ZSMVPTRPXNOLDF-LQKURTRISA-N 417.940 5.784 30 40 HKEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccco1 21722424 XSNDSGQXVFEANM-JOCHJYFZSA-N 418.518 5.798 30 40 HKEB Cc1ccc(C(=O)C2=CN(c3ccccc3)c3cc(F)ccc3S2(=O)=O)c(C)c1 32984406 FEAQOALCDPDJRF-UHFFFAOYSA-N 407.466 5.092 30 40 HKEB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 36611822 JKKLUSGJEQWZSQ-RIIVXTRYSA-N 402.534 5.823 30 40 HKEB CCCCCCCCCCCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 59199625 IWBHWAAZARLPJZ-QFIPXVFZSA-N 423.619 5.388 30 40 HKEB c1ccc(C/N=C2/c3ccccc3[C@@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 104045530 ZCLGJVKIUWRQMS-OGDZZGGXSA-N 400.525 5.818 30 40 HKEB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@]12C 253615005 QGVQZRDQPDLHHV-QYQOFFCXSA-N 402.732 8.326 30 40 HKEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c(OC)c1 408814958 ZXLUGAJHUBNHRI-QFEZKATASA-N 424.884 5.125 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1C 408914170 TVXJDNXKMYWDSC-FUQOYWQNSA-N 422.553 6.789 30 40 HKEB CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1C 408965065 FYGINIAWIDDPBQ-NDZAJKAJSA-N 418.540 7.820 30 40 HKEB N#Cc1c(/N=C/c2ccccc2)oc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 408973492 BDYWPHFOJLQDPW-RUMWWMSVSA-N 424.503 7.903 30 40 HKEB COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1Cl 409021854 CDHDKKXNQAWUST-AFUMVMLFSA-N 424.953 6.292 30 40 HKEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409029764 AZMBTWZZIORCPX-UNPAVUDISA-N 424.744 5.240 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1cccc(F)c1 409116653 LGUNLIKQPXKFMQ-UHFFFAOYSA-N 405.513 6.452 30 40 HKEB COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409199133 BOHJVKPLHROCFC-LGJNPRDNSA-N 423.896 5.993 30 40 HKEB Cc1cc(Br)ccc1/N=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 409213375 TXJNVCWBMLJSMN-QRVIBDJDSA-N 410.315 5.310 30 40 HKEB CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S/C1=N/c1ccc(OC)cc1 409235463 QFGKCGGBKAYGCJ-IXTZJETLSA-N 406.429 5.338 30 40 HKEB NC(=O)Cn1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21 409384804 DHRRPOFUXGPRQF-WKULSOCRSA-N 411.549 5.345 30 40 HKEB O=C(/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 1711701 KTIVNHNHGQMXFP-IDDWGTJGSA-N 416.480 5.646 30 40 HKEB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/C=C/c1ccc([N+](=O)[O-])cc1 2053513 AZQYFRXPXGIPQK-JRUCXRJDSA-N 417.852 6.781 30 40 HKEB C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 2103328 QXVBNKXGFYPLER-KZNJOSHESA-N 415.577 5.154 30 40 HKEB biogenic Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc2c1 4125026 MVWZSHKSKLQNRD-UHFFFAOYSA-N 401.413 5.165 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 4785015 QYNLTBVDQJJCDI-LSHDLFTRSA-N 411.870 5.025 30 40 HKEB COc1ccc(/C=N/N(C)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 4863017 DATBDZKJDCLDPO-PCLIKHOPSA-N 415.518 6.081 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 6340153 SXQYBJLHDHMZEM-NTUHNPAUSA-N 408.881 5.832 30 40 HKEB CC(C)(C)c1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(C(C)(C)C)c1O 6459288 APPQTWXGKMRRDL-ZVHZXABRSA-N 408.571 5.790 30 40 HKEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 8764053 ULTHVYDTNHTKQC-FOKLQQMPSA-N 422.337 5.970 30 40 HKEB COc1ccccc1COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O 9422244 CKRWUOXVSISVIZ-DHRITJCHSA-N 411.457 5.382 30 40 HKEB C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1 16976936 DAVGTTCBPUSWRB-IZHWHUGBSA-N 416.452 5.485 30 40 HKEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(C)ccc1C 17084974 RHHWQSDYYXHJIK-MONKAWABSA-N 421.566 5.067 30 40 HKEB CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 18141809 TUTYRLQNHFAZLK-QHCPKHFHSA-N 418.562 5.324 30 40 HKEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(C)C 21722419 HTXPEESSDKOBDQ-XMMPIXPASA-N 418.537 5.494 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C 32190139 BVENDPUHIAMCSN-BEIQUOEZSA-N 409.580 5.688 30 40 HKEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCOc1ccc2ccccc2c1 46085167 UQPDLXLFMIVCGJ-FVDSYPCUSA-N 407.473 5.082 30 40 HKEB CC1(C)[C@@H](OC(=O)C[N+](C)(C)CCO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)[C@]2(C)CC[C@@H]1C2 100092987 FNJORGFZHZTBIQ-OOTXWDKESA-N 420.658 5.052 30 40 HKEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc2ccccc2c1 101315519 JFDHLSJSCLORCK-LIAVLPADSA-N 412.489 5.071 30 40 HKEB CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc2[C@@H](C)CC1(C)C 223533971 SEBDVFCKSAOWTB-CPEHUTGBSA-N 419.594 5.999 30 40 HKEB COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Br)cc2)cc1 408660890 LXDKTHFWGFQQDB-XNTDXEJSSA-N 423.306 5.933 30 40 HKEB COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 408722305 GTWXMZZBDWEWLZ-MFKUBSTISA-N 404.922 6.890 30 40 HKEB C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc(F)cc1 409117969 MHSWTOYAHBYUNI-UHFFFAOYSA-N 407.485 5.763 30 40 HKEB C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc(F)cc1 409120643 UZUKVPZXAKLETK-UHFFFAOYSA-N 405.513 6.371 30 40 HKEB CCCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OC 409208020 DWGVBDHGZBEZOP-UDWIEESQSA-N 409.267 5.148 30 40 HKEB Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409212139 PLHHBDNINJLVLD-MTDXEUNCSA-N 413.904 7.462 30 40 HKEB Cc1c(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)[nH]c2ccccc12 585295439 ZIUFWWKEMVLPAU-XMMPIXPASA-N 408.509 5.219 30 40 HKEB N#C[C@@H](C(=O)O)[C@H](c1cccc2ccccc12)c1cccc2ccc3ccccc3c12 1632946 APSSOUIYMBILKM-XNMGPUDCSA-N 401.465 6.502 30 40 HKEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 2066169 XKEPJVJTJPXZRZ-QHCPKHFHSA-N 424.585 5.090 30 40 HKEB CCc1ccccc1/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1CC 2095299 FPVVITOOPBKBNP-DZNDYGJHSA-N 412.558 6.620 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccs1 2367520 KPIQKDFHWBHDEJ-UHFFFAOYSA-N 412.584 5.221 30 40 HKEB Cc1c(/N=C/c2ccc(/C=N/c3cccc([N+](=O)[O-])c3C)cc2)cccc1[N+](=O)[O-] 2891395 FKKBASWAQRIYPG-RNIAWFEPSA-N 402.410 5.621 30 40 HKEB CCc1ccccc1/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3088276 VNPOGFCGTOXJKD-OEAKJJBVSA-N 419.393 5.035 30 40 HKEB Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=N/OCc1ccc(Cl)cc1 3128621 WYHVWBWNACMXOE-YSURURNPSA-N 421.711 5.767 30 40 HKEB CCCCCCCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3145059 LOZQORUJFOFLEZ-UHFFFAOYSA-N 424.588 8.150 30 40 HKEB C(=N/Nc1nc2ccccc2s1)\C1=C(Sc2nc3ccccc3o2)CCCC1 3216766 VGYHJKWJDNFFQE-LPYMAVHISA-N 406.536 6.456 30 40 HKEB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C#N)c1-c1ccc(C(C)C)cc1 4179088 AKTMAMNFRRATQY-SEONNTABSA-N 420.534 5.180 30 40 HKEB N#CCCn1nc(-c2ccc(Cl)cc2)cc1-n1c(C(F)(F)F)nc2ccccc21 12533110 RDRHGGYFYFIHCZ-UHFFFAOYSA-N 415.806 5.475 30 40 HKEB COc1cc(/C=N/N2[C@@H](C)CCC[C@H]2C)ccc1OCc1ccc(Cl)cc1Cl 12616671 KDPIFJWFWIGHDV-FUHLNQEASA-N 421.368 6.178 30 40 HKEB C=CCn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccc(C(C)(C)C)cc1 12854367 DDRFMPJJXKGKMT-UHFFFAOYSA-N 411.575 5.401 30 40 HKEB Cc1ccc([C@@H]2C(C(=O)c3ccc4ccccc4c3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570833 SYPCGUBSYTYLEC-HSZRJFAPSA-N 424.456 5.228 30 40 HKEB CC(C)C(=O)Nc1sc(N/N=C/c2ccc(C(C)C)cc2)nc1-c1ccccc1 16753156 XLFUMAAOQLDHEU-ZVHZXABRSA-N 406.555 5.974 30 40 HKEB Clc1ccc(-c2csc(N/N=C/c3cccc(OCc4ccccc4)c3)n2)cc1 33377445 OWOTUHUHHJSIFN-AFUMVMLFSA-N 419.937 6.489 30 40 HKEB C=CCOc1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1Br 35044071 FDPRVVWTXXQEOV-LFIBNONCSA-N 413.267 5.004 30 40 HKEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C 59104127 ADDVEQQNUWWLQM-WSDLNYQXSA-N 412.287 5.824 30 40 HKEB CCCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782833 FBMXLHMQUBYVTL-YBGUEMQDSA-N 418.581 5.718 30 40 HKEB O=C(/C=C/Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 100245571 QCDMEYVYSGBGLN-DCJSEKHCSA-N 403.485 7.578 30 40 HKEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650604 UWOVWVRPJABDLO-FYTMPNSFSA-N 409.555 5.017 30 40 HKEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1C 101650612 FSWMGGAWMMOQIC-XUKXGFMLSA-N 409.555 5.017 30 40 HKEB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC1(F)F 103540104 LGAZGMJSVLHBEF-ZCFIWIBFSA-N 416.055 5.014 30 40 HKEB CCOc1cc(Br)cc(C=Nc2ccc(N3CCCCC3)cc2)c1O 254790064 BOTFUNPFJALNTM-UHFFFAOYSA-N 403.320 5.294 30 40 HKEB COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O 408905696 CMWXNCZRNUXZKM-UXUFVDRESA-N 414.530 6.060 30 40 HKEB O=C(O)c1cccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)c1 409103599 DLVVPKFRDAZWMS-SRZZPIQSSA-N 403.663 5.342 30 40 HKEB C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCC 409115422 JADGKIOJLLEGHX-UHFFFAOYSA-N 403.522 6.617 30 40 HKEB Cc1ccc(-c2ccc(/C=N\c3ccccc3Br)o2)c(Br)c1 409252875 UIORJBZCZQXCDE-NHDPSOOVSA-N 419.116 6.531 30 40 HKEB CC(C)n1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409402676 ITYIHDCZUIWREC-UHFFFAOYSA-N 406.489 5.481 30 40 HKEB COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1 1248594 UDXFRLMNOGELRN-CCLHPLFOSA-N 410.517 5.983 30 40 HKEB CC(=O)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 2270992 BXGHQZSUCAQRBW-UHFFFAOYSA-N 408.494 5.012 30 40 HKEB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1 3104526 DMAFSHZOTKGEDU-UHFFFAOYSA-N 413.329 6.577 30 40 HKEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1cc(C)ccc1C 4179804 MCNPJRXRYVFMDS-PLRJNAJWSA-N 423.929 5.271 30 40 HKEB Cc1ccc(N2CCN(c3cc(C(C)C)c(C#N)c4nc5ccccc5n34)CC2)cc1 5248638 RWVLWCCBISGOCB-UHFFFAOYSA-N 409.537 5.118 30 40 HKEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)ccc1OCc1ccccc1 5445400 CLIODLAVZXXSPI-RMKNXTFCSA-N 406.865 5.586 30 40 HKEB CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 6149622 YBMCBMUGSLPCSO-JOCHJYFZSA-N 407.510 5.162 30 40 HKEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)sc1C 9122184 RILWMBSDTHSENF-SFHVURJKSA-N 424.909 5.196 30 40 HKEB Cn1c([C@H](C#N)C(=O)c2cc(-c3ccccc3)nc3ccccc23)nc2ccccc21 12603784 QIBPSWNISXNPIB-HXUWFJFHSA-N 402.457 5.279 30 40 HKEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccccc1Cl 16451061 GKUUCOHBFREKSI-STZFKDTASA-N 420.921 5.811 30 40 HKEB CCn1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2ccccc21 28182548 GPMOMLNFTXAPMV-WGARJPEWSA-N 409.485 6.165 30 40 HKEB Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427203 IAKJODQQDHJKTE-NLRVBDNBSA-N 410.477 6.175 30 40 HKEB CCCCCCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(O)cc3)C2=O)cc1 103011726 RWRTWBBTXJMQDL-CTWPWMDCSA-N 418.577 7.352 30 40 HKEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3s2)c1C 408589917 NMKXSCPKZKJCPT-ZVHZXABRSA-N 418.522 5.327 30 40 HKEB Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408786696 MKZVDCFLXNWTRK-YUMHPJSZSA-N 401.941 6.906 30 40 HKEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1c(C)cccc1C 408913272 SLZLNTQYMQVKSG-HPJGCCTDSA-N 400.931 5.589 30 40 HKEB COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 408980345 VPLVSGDTPGRTFH-MFKUBSTISA-N 406.551 6.626 30 40 HKEB Cc1ccc(Sc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409238416 ZRMHWTZKAHXMLF-FYJGNVAPSA-N 408.439 5.409 30 40 HKEB COc1ccc([C@H]2N(c3ccccc3)OC(=O)N2c2ccc(Cl)c(Cl)c2)cc1 2256417 RBOGPKVWIXSIBP-HXUWFJFHSA-N 415.276 6.079 30 40 HKEB CCOc1ccc2c(c1)C(=NNC(=S)Nc1ccccc1)c1cc(OCC)ccc1-2 4090317 RMBIVUXLJKHKOF-UHFFFAOYSA-N 417.534 5.203 30 40 HKEB CC1(C)Cc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C(C)(C)N1 4275304 AHJKJNPDDAJTFE-UHFFFAOYSA-N 415.562 5.698 30 40 HKEB CCCCOc1ccc(/C=N/Nc2nc(-c3ccccc3O)nc3ccccc23)cc1 5002593 SOONMCWSNSEWHW-YZSQISJMSA-N 412.493 5.627 30 40 HKEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/Nc1nc2ccccc2s1 6536939 MYAGVQCIAIJXGX-UFFVCSGVSA-N 402.310 5.543 30 40 HKEB C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CNCCCN(CCCC)CCCC)[C@H]3C[C@H]12 6778349 CURRYBTXBNEGJH-CAIUVPPLSA-N 418.666 5.183 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OCC 8362915 RWHYSVVKJZHNDD-NVZLDUMVSA-N 410.539 5.416 30 40 HKEB Cc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O 8992291 GOWRZCBDMBKCFQ-ZVHZXABRSA-N 423.468 5.631 30 40 HKEB COc1ccc(Br)cc1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 12566243 CSLPCRWQQGFPLR-GFUUNDCYSA-N 421.294 5.164 30 40 HKEB COc1cc2c(cc1OC)[C@@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)N2 18196932 HMGDMKSPWJOYIN-IBGZPJMESA-N 404.293 5.575 30 40 HKEB Cc1sc(NC(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c(C#N)c1C 27260740 KDUVHJDXCCUUMI-UHFFFAOYSA-N 423.925 5.324 30 40 HKEB C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1O 36245383 JHCXWEPLXJISKK-JOCHJYFZSA-N 401.897 5.919 30 40 HKEB Cc1ccc([C@H]2c3nn(-c4ccccc4)c(C)c3C(=O)C=CN2c2ccccc2)cc1 40385416 GZKWUEUJNQTFGL-MHZLTWQESA-N 405.501 5.795 30 40 HKEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 44843155 IWCBBPIWIJOHBD-OUKQBFOZSA-N 421.278 5.279 30 40 HKEB CC(C)CCC[C@@H](C)[C@@H]1CCC[C@H]2[C@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 103971778 ROGGJWDJRVWFJL-UJCUWPOTSA-N 416.690 6.990 30 40 HKEB N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1 214118642 PIPPBBFLQQHRKJ-RGVLZGJSSA-N 420.877 5.708 30 40 HKEB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc21 223506645 GMUFFNKIORCODP-MYYYXRDXSA-N 406.599 5.726 30 40 HKEB Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1C 409208382 BHMABYVTBGAMBX-DHRITJCHSA-N 412.302 6.535 30 40 HKEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)s1 409319896 NHWOLMDZOLXTJO-JTQLQIEISA-N 424.751 5.270 30 40 HKEB CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2 720745 JPPXPLUMOODMLS-LMKMVOKYSA-N 416.546 6.126 30 40 HKEB COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(C)cc1)C2 1077288 DMRCRSNWHYGCAU-XHCCPWGMSA-N 410.517 5.983 30 40 HKEB Brc1cccc(/C=C/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 1922485 LWHCEAVWTOIXBF-GHRZAKMRSA-N 403.279 6.673 30 40 HKEB C=C1C[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)CC2=C(C)CC[C@@H]12 2150828 QXZCBRHBEXEZSO-HKUYNNGSSA-N 400.431 5.131 30 40 HKEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1C 2432293 JRWQEVJZPPFQIK-UHFFFAOYSA-N 406.555 5.294 30 40 HKEB Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c(O)c([N+](=O)[O-])c1 3162663 RTFRKCFARCREPL-BHGWPJFGSA-N 421.840 6.129 30 40 HKEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3ccccc3c1)Nc1ccccc1N2 4082206 YCDJBFBVNFNALN-MUAVYFROSA-N 416.524 6.819 30 40 HKEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccc4F)nn32)cc1 4879356 SIPQPBVPHUAFTB-OAQYLSRUSA-N 420.513 5.040 30 40 HKEB Fc1cccc(COc2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)cc2)c1 6926060 LREQXIUJBFAXSJ-OXUBWTJQSA-N 410.317 5.546 30 40 HKEB Clc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1Cl 8811833 WOXJYWOOYVUVJD-BRJLIKDPSA-N 419.739 6.350 30 40 HKEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1F 16789269 AXSXVCLFNMOSNW-UHFFFAOYSA-N 407.873 5.267 30 40 HKEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc2ccccc12 19861266 CTGXXIUKDMUJTI-BRPDVVIDSA-N 403.529 5.561 30 40 HKEB C#CCOc1ccc(Br)cc1CNc1ccc(Br)cc1C 41635783 NTSOYLKKAWWXEK-UHFFFAOYSA-N 409.121 5.144 30 40 HKEB CCn1c2ccccc2c2cc(N/C=C/C(=O)c3ccc(Br)cc3)ccc21 51318597 RKIGVOFHLGVZPA-BUHFOSPRSA-N 419.322 6.385 30 40 HKEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225100336 LKNGXIFVEWNRHB-UHFFFAOYSA-N 413.470 5.008 30 40 HKEB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225765814 JZPWRKYSHNYUHF-UHFFFAOYSA-N 410.945 6.087 30 40 HKEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc4ccccc4c3)c3ccccc32)c1 408544425 SZHFOKPWOXKCCS-RHANQZHGSA-N 418.496 6.380 30 40 HKEB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N\Nc2ccccn2)c1Cl 408819663 QXRYDCYJCOYPQC-KSEXSDGBSA-N 419.268 5.348 30 40 HKEB O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1CCc1ccccc1 408913217 SDTUQJBTHPPVOX-PIDRKRQWSA-N 423.541 6.015 30 40 HKEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 408974612 FMVOGZMFESDOKX-WGOQTCKBSA-N 413.546 6.549 30 40 HKEB CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409085400 SEYUJJAQNLLYFT-VSRRSJTHSA-N 400.975 6.573 30 40 HKEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409209988 HNYZAQBTYPATJC-WGOQTCKBSA-N 402.494 5.470 30 40 HKEB Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 409210763 MJDSALMZRSQJDR-YDZHTSKRSA-N 420.317 5.820 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409251872 QUKNLZQULYDKGF-YDZHTSKRSA-N 412.283 5.945 30 40 HKEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1c(O)ccc2ccccc12 2910342 IOWXWVIPBFJIBB-VULFUBBASA-N 415.514 6.510 30 40 HKEB N#Cc1c(Nc2nc3ccccc3nc2Cl)oc(-c2ccccc2)c1-c1ccccc1 3193251 WYYBVGCBODHNOU-UHFFFAOYSA-N 422.875 6.825 30 40 HKEB CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(C(C)C)cc2)S1 5546175 JQVRCJWPZWKISA-LWROZRRASA-N 423.582 5.153 30 40 HKEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1C 14081893 KGUNWJDIOLZPFE-UHFFFAOYSA-N 406.555 5.294 30 40 HKEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Oc3c2c(C)nn3Cc2ccccc2)cc1 18196576 PNPILMOABHNGGE-QHCPKHFHSA-N 416.546 5.493 30 40 HKEB O=[N+]([O-])c1ccc(N/N=C(/N=N/c2nc3ccccc3s2)c2ccccc2)cc1 33387418 WEVAQIIWOIRBRA-JRZMRYEWSA-N 402.439 5.762 30 40 HKEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1 97464915 IECHIKMUNXGIAR-RDHMHZQQSA-N 408.523 5.274 30 40 HKEB C=CCn1c(-c2ccc(OCC)cc2)c(C)s/c1=N/c1cccc2ccccc12 100787740 JRFSLVQOVYYMMO-OCEACIFDSA-N 400.547 6.495 30 40 HKEB O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 104109159 WDGVQJZFZQWFGB-MOBKVPTQSA-N 417.892 5.004 30 40 HKEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408856542 KOTYXKNVEOVAGY-DHRITJCHSA-N 424.884 5.373 30 40 HKEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1C 408862215 GGLJDLOGGRDQFK-ZMCYPXNOSA-N 420.578 6.186 30 40 HKEB CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 408937313 ISMAHRSTHVBMLH-AYHGKFDGSA-N 408.545 6.971 30 40 HKEB O=[N+]([O-])c1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408975877 OQVLXNKPRZPRHV-SSDVNMTOSA-N 400.350 5.402 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1C 408992905 UCVUGWFSIZDRNL-ATVHPVEESA-N 407.520 5.334 30 40 HKEB COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 409087284 YECSWRUPLHMXTB-VSRRSJTHSA-N 412.555 5.547 30 40 HKEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409088749 XZOHCCGUCYFKGB-WQRHYEAKSA-N 424.283 5.917 30 40 HKEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 3158310 MLMGHCBKCISDEJ-JOCHJYFZSA-N 411.542 5.033 30 40 HKEB CCCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4285241 WAZAVFLQVADKCE-QFIPXVFZSA-N 411.542 5.033 30 40 HKEB C(=N\N(c1ccccc1)c1ccccc1)\c1ccc(-c2ccc(-n3cnnn3)cc2)o1 4507676 DWDMYNGRYLVSHB-ONUIUJJFSA-N 406.449 5.095 30 40 HKEB COc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1OCc1ccccc1 4920960 KZUNRWACTADEEI-ZTKZIYFRSA-N 422.528 6.315 30 40 HKEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 5614612 HMGGAVOWLCZFLZ-HNNXBMFYSA-N 411.596 5.288 30 40 HKEB Cn1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 5740705 DSPMIYRLWQCCAD-ZMFRSBBQSA-N 417.534 5.392 30 40 HKEB Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 8362848 UFTJQRJZBWKEIZ-OQNHBUHUSA-N 414.530 5.808 30 40 HKEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O 8823660 YIIBVRURVMEOPF-CFRMEGHHSA-N 423.553 5.521 30 40 HKEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1C 14081840 DRNRLZHRGDLYKH-UHFFFAOYSA-N 400.345 5.494 30 40 HKEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2/C=C\c1ccccc1[N+](=O)[O-] 18196657 WCHMGBSHIVUKNC-FYEXEBAFSA-N 424.500 6.398 30 40 HKEB Fc1cccc(COc2ccc(/C=N\Nc3c(F)c(F)c(F)c(F)c3F)cc2)c1 33734424 LREQXIUJBFAXSJ-WPDGFUPNSA-N 410.317 5.546 30 40 HKEB Cc1ccc(C)c2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)cc12 35289048 MMQUPTSRVRLXPN-UHFFFAOYSA-N 404.520 5.064 30 40 HKEB O=C(Nc1ccc(/N=C/c2ccc(Br)cc2)cc1Cl)c1ccco1 80340277 ZYGJVRYBZZVYPW-SRZZPIQSSA-N 403.663 5.698 30 40 HKEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 83292930 BQIJCEDCVZDEEQ-OYKKKHCWSA-N 409.417 5.158 30 40 HKEB CCCCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 97953953 QFOQVJMPWIYDKF-FQEVSTJZSA-N 419.569 5.926 30 40 HKEB Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)ccc1O 100815245 MFUYQYAOWMOKHG-FSJBWODESA-N 406.283 5.757 30 40 HKEB CC(=O)N1/C(=C\c2cc3cc(C)ccc3nc2N2CCCCC2)C(=O)c2ccccc21 101008499 SURFUJWDGVFCSY-JLPGSUDCSA-N 411.505 5.124 30 40 HKEB CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)cc1 104360301 GCBONNQPBAPEFU-YYADALCUSA-N 419.679 6.672 30 40 HKEB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OC=O)CC[C@]34C)[C@@H]1CC=C2C#Cc1ccccc1 118915008 AHMJMFJZNJAALU-VQPKWFHWSA-N 402.578 6.159 30 40 HKEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1 408906053 GXLTUGFQNQNPFE-UXUFVDRESA-N 414.530 6.060 30 40 HKEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408931962 AGAAYNOCPOGYJW-WYMPLXKRSA-N 402.376 5.467 30 40 HKEB Brc1cc(/C=N/Nc2ccc3ccccc3n2)oc1Sc1ccccc1 409000047 WUCZPKUYUZGTET-LPYMAVHISA-N 424.323 6.188 30 40 HKEB C=CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 409118441 ZXYGPCOLNRWSPH-UHFFFAOYSA-N 410.739 5.987 30 40 HKEB CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 409214672 ZPGQPIBOERJKKU-VULFUBBASA-N 414.332 7.030 30 40 HKEB COc1cccc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1O[C@@H](C)C(=O)O 409233785 XEZOUTNYGNOPKD-STPJHCLOSA-N 405.450 5.398 30 40 HKEB O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1Cl)Nc1ccccc1F 409379761 ZFTCDVOQAYGBDA-BRJLIKDPSA-N 400.812 5.386 30 40 HKEB CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2sc3c(c2C(N)=O)CCCC3)O1 2267478 PYQSUODPNDPTFF-SHFDBDPCSA-N 408.523 5.136 30 40 HKEB Cc1cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(O)c(Br)c1C 3087354 VYKJZDVRPMGTIY-WYMPLXKRSA-N 421.294 6.330 30 40 HKEB COc1ccc(/C(=N\OC(=O)c2ccc(C)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 5540816 AVRLGHHVAPJSTH-UXHOKJDVSA-N 419.908 6.022 30 40 HKEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 7426140 RVTVUTFCOBXPNQ-CQSZACIVSA-N 411.939 6.140 30 40 HKEB CCOc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1 27025641 YUABNRMOHHIGJQ-OQKWZONESA-N 412.489 5.716 30 40 HKEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC[C@@H]1CCCO1 33027037 KCLKNJKTIQSBEK-IBGZPJMESA-N 415.449 5.129 30 40 HKEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC 33416839 BEWDJFZSLSXJPS-MHWRWJLKSA-N 423.321 5.292 30 40 HKEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c(O)ccc2ccccc12 59387308 XJBYKULUHPHLRO-UHFFFAOYSA-N 415.533 5.519 30 40 HKEB CCCCCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 97998514 NTIMXBJOHRMFTI-UHFFFAOYSA-N 410.562 5.730 30 40 HKEB COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 408936985 LUINYGCTXACLFD-FUCDNFOJSA-N 408.501 6.050 30 40 HKEB C#CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 409199168 BOCZQQDOCQTOMI-LFVJCYFKSA-N 406.279 6.004 30 40 HKEB CC(C)Cc1ccc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 585295107 LXLOXCAQASMCME-HXUWFJFHSA-N 423.611 5.750 30 40 HKEB Cc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 899128 ANRBESOTQBUDJQ-UHFFFAOYSA-N 409.514 5.872 30 40 HKEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1nc(-c3ccccc3)nc1N2 950973 ABBCYQSFXPYZRY-LJQANCHMSA-N 411.292 5.274 30 40 HKEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 2622676 TVSAFIJSBAXCMR-QHCPKHFHSA-N 405.523 5.155 30 40 HKEB C=CCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1-c1nc2ccccc2s1 3243436 KCVAUQFOPXGKPM-UHFFFAOYSA-N 405.548 5.744 30 40 HKEB Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1cccs1 4814276 CJVGTKIONPZAMV-GOSISDBHSA-N 415.345 6.200 30 40 HKEB Cn1ccnc1Sc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-] 6566909 BEJKFXBLKIEFMH-SOFGYWHQSA-N 405.435 5.122 30 40 HKEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c(Cl)c1 12376643 OEAVPMBCNLOFRV-PCLIKHOPSA-N 417.852 6.680 30 40 HKEB Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 12652193 GMZWGCJEHBSZAR-UHFFFAOYSA-N 400.934 6.953 30 40 HKEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 20762129 CAQSVAPZIZMTHG-JFLMPSFJSA-N 403.913 5.475 30 40 HKEB Fc1ccc(F)c(/C=N/Nc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1 100411455 WWPAACOFFJGJGO-IOXBOXJCSA-N 420.263 5.392 30 40 HKEB O=C(Oc1ccc(/N=C\c2ccccc2)cc1)Oc1ccc(/N=C\c2ccccc2)cc1 104082298 CJDYJOHCNOYMGT-HNXTVNFMSA-N 420.468 6.766 30 40 HKEB N#Cc1cn(C(=O)/C=C/c2ccc(-c3ccccc3Br)o2)c2ccccc12 226362454 OZMMVCHXHYMORQ-ZRDIBKRKSA-N 417.262 5.889 30 40 HKEB FC(F)(F)/N=C1\SC(=Nc2ccccc2)N(c2ccccc2)\C1=N/C(F)(F)F 255980108 IZFZCMFMJKDHJZ-GLAZVIIZSA-N 416.350 5.764 30 40 HKEB Cc1cccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)c1 408759361 CSWVOHIVZLLUQB-XKZIYDEJSA-N 414.290 5.758 30 40 HKEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1O 408872312 CUXUXGGKDUWPPA-QIMZEWHMSA-N 422.550 5.584 30 40 HKEB Cc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408873558 RYJGHEIHFVFMSM-LSFURLLWSA-N 416.337 5.067 30 40 HKEB FC(F)(F)c1ccc(N/N=C\c2cccn2-c2ccc(Br)cc2)cc1 408940524 UWMXROIHLJHURK-FMCGGJTJSA-N 408.221 5.705 30 40 HKEB Cc1ccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1C 409037660 UEYQETCFNKXMOA-WMDMUMDLSA-N 409.349 5.425 30 40 HKEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409166031 CDXBFXRLLGAACU-RGVLZGJSSA-N 404.422 5.194 30 40 HKEB Cc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl 409199352 BTOITAUFXDXDMQ-CRUFNBOHSA-N 401.963 5.528 30 40 HKEB Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1C 409216397 KVGPZFSVUUCFGC-RPPGKUMJSA-N 418.751 7.593 30 40 HKEB Cc1[nH]c2ccccc2c1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409301338 ATUKZYGXNDIUGB-UHFFFAOYSA-N 418.456 5.482 30 40 HKEB CCCCc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)s1 585294838 KRBVVZUFPKDRNE-QHCPKHFHSA-N 417.582 5.833 30 40 HKEB Cc1cc2cc3c(nc2cc1C)S/C(=N/Cc1ccco1)N(Cc1cccnc1)C3 1360886 DGCCONMQRWRBNS-SHHOIMCASA-N 414.534 5.504 30 40 HKEB Cc1ccc(-c2nc(SCc3ccc(Cl)cc3)c(C#N)c3c2CCCC3)cc1 2247404 UDTWEHJEDIBEGY-UHFFFAOYSA-N 404.966 6.753 30 40 HKEB Cc1ccc(C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2671076 SQZLWYCQCMQGPS-VXJVBQPQSA-N 406.938 6.027 30 40 HKEB COCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 4551616 KVTBPJFVUDQBSN-WMOWQXFYSA-N 418.518 5.099 30 40 HKEB CCOC(=O)[C@]1(C#N)C(/C=C/c2ccccc2)=NN(c2ccccc2)[C@H]1c1ccccc1 4670940 DWJUYFSZVXMKOE-JDQJSOLVSA-N 421.500 5.390 30 40 HKEB CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 4993234 VJEHNGRJRSDSME-DEOSSOPVSA-N 400.522 5.164 30 40 HKEB Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1ccccc1 5540842 JTEAVKFIYOKAON-YDZHTSKRSA-N 409.283 5.466 30 40 HKEB CO/N=C(/COc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1Cl 8781519 POPOEIUWYGVCBY-STZFKDTASA-N 413.515 6.383 30 40 HKEB Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1C(=O)OC(C)C 8811732 ACBUXTQWVDSHOF-JFLMPSFJSA-N 423.944 5.436 30 40 HKEB COc1ccc(CN/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC 20196054 VKXXDNTWUJYVQC-LQKURTRISA-N 413.521 5.139 30 40 HKEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 32501342 DDALFVGDOGDAGQ-JLPGSUDCSA-N 419.521 6.157 30 40 HKEB CC(C)c1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 33710941 MXOCCZGCQCLASK-LGJNPRDNSA-N 414.444 5.107 30 40 HKEB CCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 97951703 UVZBYHWAPHBVCR-UHFFFAOYSA-N 417.619 5.026 30 40 HKEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/Nc1nc(-c3ccc(Br)cc3)cs1)C2 100929633 YALZLCZKTACCIE-FUZAMDATSA-N 404.377 6.187 30 40 HKEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 103022936 YXJYBKJPMKIQEG-CVKSISIWSA-N 402.519 5.837 30 40 HKEB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 257345240 UMTNXSOYNXUORQ-JGQJZGGVSA-N 406.570 6.043 30 40 HKEB C=CCOc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 408590869 QVKPQVXGPUURLN-VUTHCHCSSA-N 404.469 6.801 30 40 HKEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 408758804 RLKUUAFQZFJQNH-AQTBWJFISA-N 408.504 5.331 30 40 HKEB CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 408842693 BYRLTVHACWHUGC-DICXZTSXSA-N 420.578 6.198 30 40 HKEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 408861701 FVZSQVAXMVKRNL-NVNXTCNLSA-N 423.719 5.008 30 40 HKEB C=CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cccc1OC 408916630 YPLAHJOBIKLBLO-VSMSAFETSA-N 408.523 5.274 30 40 HKEB CCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N/c1ccc(Cl)cc1 409078699 HWWMWWQVTXICHS-CFDZAGTRSA-N 402.903 5.068 30 40 HKEB COc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2O)c1O 1506194 IFDAPYPRRRJFIJ-ZVBGSRNCSA-N 412.711 5.570 30 40 HKEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1cccc2ccccc12 3019798 GOVACZOSXCVBGW-VHPLVOQASA-N 417.559 5.834 30 40 HKEB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 5911696 KBLSBJKQJYPYHT-BNOPAZPUSA-N 406.595 6.546 30 40 HKEB N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 6269603 NTEPEAKAFSDHTK-UHFFFAOYSA-N 404.844 6.585 30 40 HKEB C=CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1N=C1CCCCCCC1 6312831 PKHYMRGDCCLXRF-FLFQWRMESA-N 405.514 5.853 30 40 HKEB CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1O 6449781 XHPUNUATBBBMIE-KKBVUKDESA-N 411.137 6.181 30 40 HKEB Fc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1N1CCOCC1 6815719 LCXQSFKVLNEXQN-RDRPBHBLSA-N 418.556 5.881 30 40 HKEB Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 10119144 OJGYKDIAABWTGY-STBIYBPSSA-N 414.936 6.504 30 40 HKEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(F)c(F)c3)cs2)cc1 12821360 IMPOERGAJCNYQC-ONNFQVAWSA-N 414.433 5.011 30 40 HKEB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccc(C#N)cc1 14166188 PFODFLYTLQJUJT-WUKNDPDISA-N 418.500 5.083 30 40 HKEB CCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@](C)(=O)O1 14285769 XXNJOXORYIWEPW-AMGIVPHBSA-N 404.596 6.782 30 40 HKEB Clc1ccc(-n2c(-c3ccccc3)cc(/C=N\n3cnnc3)c2-c2ccccc2)cc1 15224772 MDEGXIQGLCVKKQ-MWLSYYOVSA-N 423.907 5.938 30 40 HKEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@@H]12 36614411 HEISBLGPHCGBTI-IPZCSDAYSA-N 406.953 6.467 30 40 HKEB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CC)cc2)cc1 97955830 BLQLIERJKVIYLH-UHFFFAOYSA-N 410.554 7.018 30 40 HKEB CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccc1 98008948 MQHGAGMPMHQQAN-DEOSSOPVSA-N 421.972 6.636 30 40 HKEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCc1ccccc1 109044523 RJBJVQJIDXNFJB-GYDHSEMCSA-N 422.531 5.149 30 40 HKEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C 408897692 NSWZBHIFBLKNCT-UHFFFAOYSA-N 416.901 5.264 30 40 HKEB CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1O 408933818 BMQIGNRASVDKHV-UHTNZBAESA-N 410.517 6.368 30 40 HKEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)S2)cc1 408961401 BZGXWUNKRGUNGF-UDWIEESQSA-N 418.474 5.153 30 40 HKEB Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Br 409072051 ULXVRYMDVSRXAB-YDZHTSKRSA-N 416.771 7.313 30 40 HKEB CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409213239 SXLCMOUZZAULGE-LGJNPRDNSA-N 418.295 6.861 30 40 HKEB Cc1cccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1C 409216221 IWNKBNJLLDQMOH-ZMFRSBBQSA-N 414.383 6.773 30 40 HKEB CCOc1ccccc1/N=C\c1cn(Cc2ccc(C(=O)OC)o2)c2ccccc12 409393945 TYWRFAYQDOVJRP-QFEZKATASA-N 402.450 5.219 30 40 HKEB Oc1ccc(Br)cc1/C=N/c1ccc(OCc2ccc(F)cc2)cc1 675031199 NNZFEJYHJAPSOI-FSJBWODESA-N 400.247 5.623 30 40 HKEB