smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 4147399 BTMWPCZAKUWSNT-UHFFFAOYSA-N 407.403 2.961 10 40 HFCB CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374956 MVIUSXRYOBHJJL-XDPMZMSMSA-N 406.529 2.956 10 40 HFCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1 5655935 CZZWGSQXZPVOFM-ZHZULCJRSA-N 412.515 2.986 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 408537086 UMJIXGOGSLBYGL-PTNGSMBKSA-N 408.410 2.985 10 40 HFCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl 408848698 RZYDYMJNDVDLMZ-YRNVUSSQSA-N 418.764 2.609 10 40 HFCB C[C@@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 12536127 UOOOUAOFUYLQGM-CYBMUJFWSA-N 419.459 2.973 10 40 HFCB CN1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5n4C)c(=O)oc23)CC1 19708095 QRUVRCUIYMEFSZ-UHFFFAOYSA-N 404.470 2.800 10 40 HFCB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)C2=O)cc1Cl 408989936 VQRHLOMVIFJRIP-PTNGSMBKSA-N 415.833 2.744 10 40 HFCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@@H]2C1 33901690 MPDJTMAICNXNSF-UJJNPSRESA-N 406.525 2.690 10 40 HFCB biogenic COc1ccc(N2CCN(C(=O)COc3cccnc3Br)CC2)cc1 48312193 INPZKUGBUSQERW-UHFFFAOYSA-N 406.280 2.580 10 40 HFCB CN(C)c1ccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 7328258 AAGBFWSIMXWFJH-UHFFFAOYSA-N 415.291 2.541 10 40 HFCB CN(C)CCCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 20023232 DGOJMKAMTPJPLL-UHFFFAOYSA-N 408.527 2.777 10 40 HFCB COc1ccc(N2CCN(CCNC(=O)COc3ccc(Cl)cc3)CC2)cc1 56997162 GTWKJGDSDCYVAC-UHFFFAOYSA-N 403.910 2.666 10 40 HFCB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225414242 BJSBEOJPZKLIQK-MRXNPFEDSA-N 401.532 2.761 10 40 HFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408532074 POICKEAGLMEHOZ-UVTDQMKNSA-N 424.392 2.643 10 40 HFCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008367 UMYLIXNGGJQPHE-HSZRJFAPSA-N 423.557 2.946 10 40 HFCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733554 KKLYWNROXOQXAA-QHCPKHFHSA-N 409.530 2.556 10 40 HFCB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 72403837 BNSDYVNKRBDRJZ-UHFFFAOYSA-N 407.474 2.647 10 40 HFCB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3N)cc2)c1C 104091241 DBAASMYBIXCABR-FCQUAONHSA-N 402.440 2.649 10 40 HFCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408904886 PZRAQJMWMZGGGG-NTEUORMPSA-N 413.411 2.530 10 40 HFCB CCc1ccccc1N1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)C(=O)NC1=S 409100924 XFUKYOHKFSNYLB-ZSOIEALJSA-N 410.451 2.818 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 409106626 OILSQYCAQDBYNL-XMHGGMMESA-N 405.454 2.806 10 40 HFCB NC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 1417301 VFFXVFITWGSSHJ-FRKPEAEDSA-N 414.464 2.685 10 40 HFCB C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 43730162 ARKDICXRIRCYMI-OXOWVQSXSA-N 416.524 2.589 10 40 HFCB CCOc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1OC 96019640 KRPIYKOQVIWXKJ-GHRIWEEISA-N 408.545 2.627 10 40 HFCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1O 409351181 ZXWUFHHVPGBBTQ-UITAMQMPSA-N 407.254 2.836 10 40 HFCB COc1ccccc1/C=C1\SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 13777259 LDSYIVRGPURHHH-PTNGSMBKSA-N 406.510 2.790 10 40 HFCB C[C@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1 19714243 OJORAHFIFQUERX-KRWDZBQOSA-N 422.529 2.524 10 40 HFCB COc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22418577 RUEXBCQZZKSWOI-QFIPXVFZSA-N 411.550 2.871 10 40 HFCB COc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1 4661333 XXLAEFAPMKKSHM-IIBYNOLFSA-N 406.548 2.542 10 40 HFCB COc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 17057512 CZEJIMLLFXJWQC-SXGWCWSVSA-N 424.409 2.646 10 40 HFCB COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(OC)cc4)CC3)n2)cc1 54146944 KTSFUESDYZUPGM-UHFFFAOYSA-N 421.505 2.537 10 40 HFCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 409187961 VZOFMLCFJQSSTG-LDADJPATSA-N 424.478 2.848 10 40 HFCB Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4313002 HGLFRFOGEYXAQA-FQEVSTJZSA-N 416.543 2.656 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCCC2)cc1 5340882 WNUNEUPWZIQRBU-NRFANRHFSA-N 400.567 2.845 10 40 HFCB Cc1ccc(C(=O)c2c(NC=C3C(=O)NC(=O)NC3=O)sc3c2CCCC3)cc1 8491843 XEUYEEQIIXBOSK-UHFFFAOYSA-N 409.467 2.828 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9051211 VVPFYNWJGVZJCM-ACLQVGRQSA-N 405.453 2.525 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N(C)C)ccc21 13008623 LTYOGFZHNFKTGT-HXUWFJFHSA-N 416.472 2.705 10 40 HFCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/SC(=S)N(CC(=O)O)C1=O 13689616 MWGURFZHAUURNE-NTUHNPAUSA-N 420.468 2.639 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2 102332544 PJXIAMDZVXMOTN-IAGOWNOFSA-N 406.438 2.957 10 40 HFCB Cc1oc2c(c1C(=O)N1CCN(c3ccccn3)CC1)C(=O)c1ccccc1C2=O 937970 HWQCLBVFGAFSFH-UHFFFAOYSA-N 401.422 2.721 10 40 HFCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O 13655704 IRAUISYOMHSCHK-GDNBJRDFSA-N 401.469 2.732 10 40 HFCB CC(=O)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 33475527 GWZYILHVXHUVPM-ZSOIEALJSA-N 401.762 2.635 10 40 HFCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(NC(=O)O)cc1 5587456 AAUOUMZSVQSPDP-UHFFFAOYSA-N 412.471 2.783 10 40 HFCB Cc1cccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)c1 49004010 KUTPTAOLOZKPCF-UHFFFAOYSA-N 402.447 2.760 10 40 HFCB NC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 409123843 IKLHZOIFUCUJPW-KHAFMBKQSA-N 401.513 2.507 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c1 409075882 YWQINERKGXSHNN-XSFVSMFZSA-N 405.454 2.806 10 40 HFCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(C)cc2)C1=O 409229250 MCEALQARYKHBCW-MOSHPQCFSA-N 407.470 2.933 10 40 HFCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1OC 16667674 SCQHCTCGOBSYHF-ZROIWOOFSA-N 403.232 2.928 10 40 HFCB CC(C)[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33544267 KKFHNFQJJWMKQL-UVQBRAAOSA-N 418.544 2.908 10 40 HFCB COC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409090705 NVOBWZCIJJDVLJ-LWLPBDFMSA-N 423.512 2.627 10 40 HFCB CC1(C)C[C@H]2C[C@@]1(C)CN2c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=S)NC1=O 103763131 GDCFZZGRGUBJIB-RBZFPXEDSA-N 414.487 2.524 10 40 HFCB CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408782343 HDNLJXHJXOEDJV-LDADJPATSA-N 422.437 2.912 10 40 HFCB CCOC(=O)c1sc(NC=C2C(=O)OC(C)(C)OC2=O)c(C(=O)OCC)c1C 1093204 HXEPWOZAVIHEMY-UHFFFAOYSA-N 411.432 2.542 10 40 HFCB CN1CCN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)CC1 223952907 HFCOTLLUUHXBHA-UHFFFAOYSA-N 410.591 2.920 10 40 HFCB COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408842807 BRMQVHFZYVJREQ-GZTJUZNOSA-N 408.410 2.522 10 40 HFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1OC 1192700 SCQHCTCGOBSYHF-NTEUORMPSA-N 403.232 2.928 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC 13546388 RTDNNQZWEXCNES-ZSOIEALJSA-N 411.370 2.587 10 40 HFCB O=C(O)[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13572921 FYWZVUFKOHWPBX-ADVGAGMGSA-N 422.503 2.883 10 40 HFCB Cc1ncc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)s1 72311880 BMJFIGCSZFSUTG-UHFFFAOYSA-N 409.514 2.949 10 40 HFCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409332451 RPYMONWDBYLWEI-DHDCSXOGSA-N 415.452 2.865 10 40 HFCB COc1cc(CN/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1 5739990 SGXBJZCKXBISGR-UNOMPAQXSA-N 409.442 2.577 10 40 HFCB C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 6660321 JXFKLBIEOPUJLI-LQELWAHVSA-N 406.558 2.741 10 40 HFCB COc1ccc(N2CCN(C[C@@H](O)COCc3ccc(F)cc3)CC2)cc1OC 20459163 CTHKSRIDRZWRMC-HXUWFJFHSA-N 404.482 2.543 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1O 409240514 LAJMPYYDAFVHBK-YRNVUSSQSA-N 418.858 2.894 10 40 HFCB COCCCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C 6348217 NFCMFMGGOSILPJ-UVTDQMKNSA-N 410.264 2.864 10 40 HFCB CC(=O)NCC1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 48357080 BGQZBEQBDLHVEZ-UHFFFAOYSA-N 411.502 2.854 10 40 HFCB Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1F 49004052 IUSYLOTZXVLCSD-UHFFFAOYSA-N 420.437 2.899 10 40 HFCB O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2Br)C(=O)N1 408891609 TZQJIINMNMYMMJ-UHFFFAOYSA-N 401.216 2.778 10 40 HFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 1215021 PUGBBKUWCTZSLH-UNOMPAQXSA-N 422.437 2.912 10 40 HFCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)CNC(=O)c3ccco3)c2C)cc1 5689590 NZRIQOQNRPFAFJ-UHFFFAOYSA-N 410.426 2.852 10 40 HFCB COc1ccc(OC)c(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 7409988 YWIKUQWGFFPAJD-SNVBAGLBSA-N 410.517 2.790 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(C(=O)OC)cc3)c2oc1=O 8742707 HVMOMAOTYWRQSA-UHFFFAOYSA-N 411.410 2.921 10 40 HFCB COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733270 JFWKUERBDXAPLT-XMMPIXPASA-N 423.557 2.810 10 40 HFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 35189285 JFXCXRQKZHPBON-GHXNOFRVSA-N 404.176 2.524 10 40 HFCB COc1cc(Br)cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1O 3299469 WLOBMDQLCHTQOX-YHYXMXQVSA-N 418.290 2.839 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1C 4675378 GJSMORRPIZOXRQ-XSFVSMFZSA-N 405.454 2.806 10 40 HFCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 4739758 QXRVPCVNVFHDBR-LDADJPATSA-N 406.442 2.747 10 40 HFCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 20249070 RBGNNKQRFMJPBM-IBGZPJMESA-N 417.868 2.942 10 40 HFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1 35361992 QWKUYJQLEKSSJY-QINSGFPZSA-N 419.349 2.868 10 40 HFCB O=C1N=C(O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(F)cc1 1070879 OXQVHAFMICJWQS-WLRTZDKTSA-N 413.317 2.965 10 40 HFCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1COc2ccccc2O1 65492551 TUVZIYQVILAAGA-LJQANCHMSA-N 422.403 2.998 10 40 HFCB C[C@@H]1CN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 95468169 STJPBKBHKFWSBY-CHWSQXEVSA-N 402.426 2.860 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1OC 408917155 NYVUECYSQJVKAM-UVTDQMKNSA-N 416.430 2.683 10 40 HFCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)o2)cc1 409240002 IXRVUHBHZQJQGD-GZTJUZNOSA-N 417.377 2.795 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(O)cc1 409390574 FXBBAKVFMVYQIY-XDHOZWIPSA-N 402.410 2.861 10 40 HFCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 14903969 HSMAABDBEIGFFL-WDZFZDKYSA-N 402.291 2.880 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 100149908 RJLFMNCWMGVXQF-KMTKGMGQSA-N 402.410 2.543 10 40 HFCB O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc2c1C(=O)c1ccccc1C2=O 7544716 CFFZHMUTAWTOAW-UHFFFAOYSA-N 403.350 2.783 10 40 HFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 16682827 DJZLDKLLKKXKPX-PDGQHHTCSA-N 408.410 2.603 10 40 HFCB O=C1NC(=S)S/C1=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765396 VSFQJTXLVYOVMF-ZSOIEALJSA-N 422.465 2.851 10 40 HFCB CN1C(=O)/C(=C\c2ccc(I)o2)C(=O)N(c2ccccc2)C1=O 408850852 SFTXNYVGWGNQRM-FMIVXFBMSA-N 422.178 2.893 10 40 HFCB COc1ccc(N2CCN(C(=O)CN(C)CC(=O)Nc3cc(C)ccc3C)CC2)cc1 12556004 GCBMGRYJLGYSMW-UHFFFAOYSA-N 424.545 2.531 10 40 HFCB O=C(COc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 54285099 XILWTOVHLWQJLQ-UHFFFAOYSA-N 405.292 2.981 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 224138620 PYWMGKWBNJQQHX-MDWZMJQESA-N 401.762 2.923 10 40 HFCB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 20506685 HIDTWYOVHLVSFS-QRVBRYPASA-N 414.461 2.705 10 40 HFCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1C 41166864 ONEWDEBKBGQUSC-SFHVURJKSA-N 403.548 2.804 10 40 HFCB CN1C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=S 1407304 XZPQGVQYIGWMDO-UHFFFAOYSA-N 411.439 2.773 10 40 HFCB CCc1ccc(OCCOC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 23224707 VMAMOJAPGXUFQI-QFIPXVFZSA-N 414.546 2.836 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)S1 409091363 PSLSSYXTVRMSGI-GZTJUZNOSA-N 416.480 2.869 10 40 HFCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cc(C)ccc3C)C1=O)OCO2 4690021 PHOAIGYQPSUYQA-VGOFMYFVSA-N 410.451 2.872 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1C 59678388 NOJMMJVOSDKZHN-XWAFYUISSA-N 424.478 2.987 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 102941272 MVQTXYTUVHSXSU-CCWVLBSLSA-N 407.386 2.611 10 40 HFCB NC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409127426 PWAHVRZDOIOKBE-IUXPMGMMSA-N 408.508 2.923 10 40 HFCB CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 4061793 SBVZRXRXBYHMNK-OXQOHEQNSA-N 423.604 2.948 10 40 HFCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 4473837 GQJIQJHIDPBCAW-PTNGSMBKSA-N 417.874 2.601 10 40 HFCB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 4914394 TUEYWNKNHRPXFU-ZDUSSCGKSA-N 406.460 2.508 10 40 HFCB Cc1cc(N2CCOCC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956008 BYTXTRLWODSPNN-UHFFFAOYSA-N 412.563 2.708 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)cs1 408955172 TUYJLSOLHMVFMT-VZUCSPMQSA-N 421.228 2.906 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(C(C)C)cc4)n3)CC2)cc1 5087438 ZSAUVTQMGSRUQX-UHFFFAOYSA-N 420.517 2.821 10 40 HFCB O=C(O)CCCn1c(/C=C/c2cnc(N3CCCC3)nc2)nc2ccccc2c1=O 44026678 BJDCEAITODVDHD-MDZDMXLPSA-N 405.458 2.822 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3Cl)CC2)cc1 44905060 RUNKEXVLIJQURT-UHFFFAOYSA-N 423.922 2.683 10 40 HFCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 408915823 ZPXVPRGDEPIFCP-LZYBPNLTSA-N 407.357 2.531 10 40 HFCB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5349681 GCZYSSSEFXESRS-QFIPXVFZSA-N 423.561 2.710 10 40 HFCB NC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 9614056 HYRGWFDDDPBHDW-VXERDJRPSA-N 405.458 2.931 10 40 HFCB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 20140258 MINICHCQCUZYLS-QFIPXVFZSA-N 422.533 2.548 10 40 HFCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)N1CCCCC1 40942138 YURJBANEVBDZET-LFIBNONCSA-N 406.529 2.965 10 40 HFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408963340 NHBVTODFBHVOLR-RIYZIHGNSA-N 413.411 2.530 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1C 409134116 NDKPENNPNMSTOM-FOWTUZBSSA-N 411.483 2.564 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)O)C(=O)NC2=S)cc1 409375697 OBKDHBZCIPOOHO-LFIBNONCSA-N 410.451 2.544 10 40 HFCB CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 8870067 KARHBHUZLYIZQU-UQRISPGASA-N 424.569 2.600 10 40 HFCB COc1ccc(N2CCN(c3cc(C)nc4cc(-c5nccn5C)nn34)CC2)cc1 72338477 QIPTZDOGCQJJLY-UHFFFAOYSA-N 403.490 2.773 10 40 HFCB COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(N)=O)SC1=S 409350859 SLSKYPFDLZFYJA-MHWRWJLKSA-N 400.481 2.965 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 17091390 PSGDCHGQRJUWPB-UHFFFAOYSA-N 418.450 2.579 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 102971383 ARKXYEDTRSOTOI-FYTMPNSFSA-N 421.413 2.919 10 40 HFCB COCCn1cc(C(=O)N2CCc3ccccc32)c2nn(-c3ccccc3)c(=O)c-2c1 9661580 BNGOEHJMIRLHOV-UHFFFAOYSA-N 414.465 2.988 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1 5348616 NHGCMWYBLLXSQR-YHZJOHHESA-N 416.524 2.591 10 40 HFCB O=C(Nc1ccc([C@@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1)C1CC1 19332401 HLAHWQVCPIHEOR-NRFANRHFSA-N 423.513 2.662 10 40 HFCB COCCN1C(=O)[C@H](Cc2cc(Br)c(OC)c(OC)c2)SC1=S 409147817 ZLHNUOCUXXHYOX-LBPRGKRZSA-N 420.350 2.884 10 40 HFCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)nc1 409394095 VOQJJHXJMDYSTC-WOJGMQOQSA-N 401.426 2.859 10 40 HFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H](CO)Cc1ccccc1 9253931 JWDRKNQZJHTKOC-KWZJRMENSA-N 418.565 2.669 10 40 HFCB CN(C)c1ccc(CNC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 14001257 NRCGSUMCYHZPRI-UHFFFAOYSA-N 407.449 2.789 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCCn1ccnc1 33545378 JNNHAOVBEUKRJX-XNTDXEJSSA-N 420.947 2.944 10 40 HFCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OCC 4602601 JDPRINFOSIWJMA-UXBLZVDNSA-N 413.293 2.503 10 40 HFCB COc1ccc(N2CCN(c3cc(=O)n(-c4ccccc4Cl)c(=O)[nH]3)CC2)cc1 4033647 IUZFIVNEEOHQLT-UHFFFAOYSA-N 412.877 2.514 10 40 HFCB C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1)c1ccccc1 4330742 LVEXXZRZYXNPLF-PGRDOPGGSA-N 408.546 2.883 10 40 HFCB CC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107916875 IUERJBPJNFGKSG-GDNBJRDFSA-N 401.216 2.836 10 40 HFCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 1838600 CJFDSKPFYYILOO-SFQUDFHCSA-N 408.458 2.771 10 40 HFCB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCCN1CCCCC1 103115381 BQWLJCOCRMXJLQ-VLGSPTGOSA-N 404.580 2.881 10 40 HFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 409230972 HJGUAKVHJJKGPG-FOWTUZBSSA-N 419.368 2.981 10 40 HFCB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838321 HHCPVDLKCJYMQO-HSZRJFAPSA-N 409.530 2.881 10 40 HFCB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1 223184456 VKCHNOCCDPXKPY-UHFFFAOYSA-N 423.564 2.601 10 40 HFCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OC 13343717 FTYNSKPUQNFXPX-YHYXMXQVSA-N 418.290 2.752 10 40 HFCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCN1CCNCC1 22858910 QAGNNAQBZQGBIV-CYVLTUHYSA-N 412.563 2.568 10 40 HFCB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccc(O)c(O)c1 79017445 MRUHSGYHUUGEJQ-UHFFFAOYSA-N 421.475 2.835 10 40 HFCB COC(=O)CCCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S 96942871 ALTSGSAEAGZTBZ-ZSOIEALJSA-N 406.464 2.561 10 40 HFCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NN1CCOCC1 5376104 CVPDRLYQDGBXRT-FZAQZHIUSA-N 417.556 2.588 10 40 HFCB COCCN1C(=O)[C@H](Cc2cc3c(cc2Br)OCO3)SC1=S 8104605 GISZKIYFWFXNPN-LBPRGKRZSA-N 404.307 2.596 10 40 HFCB COc1cc(O)c(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1OC 95446131 NMLBACGRAFTPRY-UHFFFAOYSA-N 420.531 2.533 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408532622 IPMSOWSBSQRKIO-WJDWOHSUSA-N 408.410 2.985 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 16291501 YSGSLRWJAWWOPB-GXDHUFHOSA-N 415.521 2.850 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 9311347 PQLFQXNYRICORF-UHFFFAOYSA-N 417.284 2.942 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 9347872 SHHNSLLVEJCOMX-NVNXTCNLSA-N 414.464 2.930 10 40 HFCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N21 20207057 RKESPYPCVUWVJQ-GVMLJBEOSA-N 415.500 2.815 10 40 HFCB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1-c1ccc2c(c1)OCO2 35400240 IPTPZBHFASCKQF-UHFFFAOYSA-N 419.485 2.618 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 4062336 ADFVWRXTQPTXFD-UHFFFAOYSA-N 420.513 2.688 10 40 HFCB CCOC(=O)[C@H](C)Sc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23140030 JQNAIEOTWKUUPF-ZDUSSCGKSA-N 408.549 2.917 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)C(C)C)C2=O)cc1 5374957 XEBHONSUOOBAIP-DKGMDFAASA-N 406.529 2.812 10 40 HFCB COc1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1 6544969 PAOULRVNNIPFHF-UHFFFAOYSA-N 401.419 2.583 10 40 HFCB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 6787854 FLIIJECAZHIRRH-UHFFFAOYSA-N 407.348 2.716 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OC 408809508 HILQWAOLHCEFGX-NTUHNPAUSA-N 402.790 2.729 10 40 HFCB CCOC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)cc(C(=O)OCC)n1 20388994 WEVMEWOLWGVCDY-UHFFFAOYSA-N 413.474 2.770 10 40 HFCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OS(=O)(=O)c1ccccc1 408883208 UFAGRZIKQHRQON-GDNBJRDFSA-N 407.494 2.952 10 40 HFCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=Cc4cc(OC)ccc4N2[C@@H]3C(C)=O)cc1 8992997 BMVXYLWZOGBKRZ-YUMYIRISSA-N 418.449 2.683 10 40 HFCB CCCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C)C2 17270487 STFBPFMHNNBXNR-JTQLQIEISA-N 421.544 2.657 10 40 HFCB COc1ccc(OC)c(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1 16944968 YMGGFNPKLUFEDQ-FQEVSTJZSA-N 416.479 2.783 10 40 HFCB C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33539737 JXFKLBIEOPUJLI-GVIGZQTCSA-N 406.558 2.741 10 40 HFCB CCn1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 19716927 LQYUPWDEARDZAS-MRXNPFEDSA-N 406.486 2.744 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)c1 409190473 OETNHJMXVKTQHC-XDUBLRSXSA-N 410.451 2.678 10 40 HFCB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(N(C)C)cc1 20636793 IDELCLPBTHLVKP-SFTDATJTSA-N 420.513 2.517 10 40 HFCB O=C(O)C1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 5348010 SNSPUSJAQXZXPO-SDNWHVSQSA-N 408.501 2.584 10 40 HFCB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1F 9265310 UEEDHHDENHIKFB-CPNJWEJPSA-N 408.433 2.957 10 40 HFCB O=c1oc2c(CN3CCN(CCO)CC3)c(O)ccc2cc1-c1ccc(Cl)cc1 20605085 NLWZYHRABMWJTR-UHFFFAOYSA-N 414.889 2.929 10 40 HFCB biogenic COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1 408526269 AOOPZHHQVOAGKY-YBEGLDIGSA-N 410.386 2.799 10 40 HFCB Oc1ccc(C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)cc1O 19332215 NGGDKMOGKHYTRX-UHFFFAOYSA-N 414.505 2.978 10 40 HFCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(C=O)cc3)SC2=S)cc1 8870226 BZEPIQQPFYJREM-MHWRWJLKSA-N 418.521 2.902 10 40 HFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Cl)cc2)c1 408870260 VRBXCJUEEIQIEX-UHFFFAOYSA-N 402.859 2.842 10 40 HFCB CN1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)NC1=S 408912330 FEPXXZUBIJTQIK-LICLKQGHSA-N 420.450 2.854 10 40 HFCB COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 1036674 JJVJOGXAYTZBKJ-UHFFFAOYSA-N 416.437 2.982 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1OC 83314491 GLRYGHPGXCAZBY-GDNBJRDFSA-N 401.469 2.645 10 40 HFCB CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)N(CC)C1=S 1010716 LPPATTCXGQSRHM-UHFFFAOYSA-N 413.293 2.542 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC(F)F)cc3)CC2)cc1 4246984 YLMRTJQXLFYPRX-UHFFFAOYSA-N 420.412 2.802 10 40 HFCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 5345565 QDLMRDQREGIDLX-HNDQUVLASA-N 408.520 2.790 10 40 HFCB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33633340 KUGLCZWYCAYHLD-QLENYVDCSA-N 424.453 2.877 10 40 HFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409105952 PRQTVWHFIQPJMH-LDADJPATSA-N 419.368 2.981 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3OC)C2=O)cc1 5652834 YGKQYDQMXDUPFT-YBEGLDIGSA-N 411.370 2.669 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)cc1 10059503 SHNJCESDUMUPLB-VLURKWGBSA-N 424.409 2.604 10 40 HFCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 5713721 SEDVUHDGCZVBEO-BOPFTXTBSA-N 415.471 2.547 10 40 HFCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 7990511 HBDYQLQWGNENGQ-HXUWFJFHSA-N 416.543 2.978 10 40 HFCB O=C(O)CN1C(=O)/C(=C\c2ccc(I)cc2)SC1=S 1601288 VBSYRXOFQDFCKF-WEVVVXLNSA-N 405.238 2.577 10 40 HFCB C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1)c1ccccc1 4330748 LVEXXZRZYXNPLF-XMSQKQJNSA-N 408.546 2.883 10 40 HFCB CCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 6324174 PPZBFFVNZAXOQK-UVTDQMKNSA-N 418.544 2.672 10 40 HFCB COc1ccc(N(CCC(N)=O)Cc2nc(COc3ccc(F)cc3)no2)cc1 32905443 MLYVKJZGJCZQRJ-UHFFFAOYSA-N 400.410 2.678 10 40 HFCB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 223420461 UUGBISVUISNOIC-UHFFFAOYSA-N 423.564 2.601 10 40 HFCB COCC(=O)N1CCCCCCCNCc2cc(N3CCCN(C)CC3)ccc21 643575624 TVCMPXUSFPVSQN-UHFFFAOYSA-N 402.583 2.862 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1 4859892 HVBWMXJFAXKJGL-DZBQEORWSA-N 408.410 2.822 10 40 HFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1 408801758 VPIXKTLSALAQMZ-UHFFFAOYSA-N 401.762 2.577 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)O 4180448 CKRDHLGUEYHUNO-VGOFMYFVSA-N 416.817 2.582 10 40 HFCB CC(=O)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108175484 PVFROCTZBOPSLP-ZROIWOOFSA-N 401.216 2.836 10 40 HFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409103002 WZUOCOAVDDJSCV-QGOAFFKASA-N 401.378 2.842 10 40 HFCB O=C(C1=CN(c2cc(F)cc(F)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 35527528 WNBILCRQUVMHAG-UHFFFAOYSA-N 424.400 2.730 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1OC 1184329 UQTZQPITSMNIEQ-BENRWUELSA-N 416.430 2.683 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 18150405 IDJAPMHKAPFVEA-LJQANCHMSA-N 421.497 2.800 10 40 HFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)O)c2)C1=O 409073822 IVAUNFQQNMUAJH-ZROIWOOFSA-N 414.801 2.778 10 40 HFCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Cl)cc3)C(=N)N21 20207009 KSEQGYDVMZMNNJ-NOOFILGISA-N 410.908 2.987 10 40 HFCB N=C1/C(=C/c2ccc(O)c(Br)c2)C(=O)N=C2SC(N3CCCC3)=NN12 41085017 ZYSSHEWTTLSNNP-OIAJVEJOSA-N 420.292 2.827 10 40 HFCB O=C1NC(=S)S/C1=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408764053 VUEKJZAYNDCCNC-ZROIWOOFSA-N 422.465 2.851 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(N)=O)SC2=S)cc1 409351986 VIRNIUPNQRVSKX-YBEGLDIGSA-N 400.481 2.965 10 40 HFCB CCNC(=O)COc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1OC 23218707 KXADNVWABYENOF-BOPFTXTBSA-N 403.504 2.713 10 40 HFCB CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(S(C)(=O)=O)CC3)c2C)c1 24508619 RGCSRDITGGOHLF-UHFFFAOYSA-N 421.588 2.576 10 40 HFCB CCOC(=O)CSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)N1 408988122 GYLMHICUVBKIGQ-GOSISDBHSA-N 405.520 2.886 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)O)C1=O 409192231 ACBPBVYNDYGEMC-MLDYKZIASA-N 408.410 2.767 10 40 HFCB CCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 3195500 AJONGWSOPDMWGH-WQLSENKSSA-N 420.541 2.949 10 40 HFCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 4703308 RZPYGPYBRPXIIF-CXUHLZMHSA-N 407.357 2.531 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4nsnc4c3)C2=O)cc1 16955840 QQUJSRBYBFWFPX-UVTDQMKNSA-N 409.427 2.669 10 40 HFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(Cl)nc1 4089531 HPFFZMHVVBCDRN-UHFFFAOYSA-N 415.833 2.756 10 40 HFCB Cc1ccc(N(C)CCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225795857 AYASLQHBSMRNGQ-UHFFFAOYSA-N 406.577 2.814 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)c(C)c1 409189139 DFQHLGZAUMCUGO-LUYJPIOASA-N 424.478 2.987 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 15219360 QWKAJNXWSRPKDX-NTUHNPAUSA-N 418.858 2.894 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)C(=O)N1 408883182 UBAKVVFGQKYMOB-UHFFFAOYSA-N 419.206 2.917 10 40 HFCB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1N1CCCCS1(=O)=O 224515481 QIBGMMHGQDHVRN-UHFFFAOYSA-N 401.532 2.921 10 40 HFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408835369 XHWBTVNRQMLQNF-HYTQYMIGSA-N 420.465 2.903 10 40 HFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 409202241 QRGGHZCETLMZPB-WUXMJOGZSA-N 401.762 2.929 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 9971954 XHEFHKMTAPAFBL-LDADJPATSA-N 423.444 2.946 10 40 HFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccccc1 13899436 SRRASOXAEDNRDJ-UHFFFAOYSA-N 424.453 2.977 10 40 HFCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)N1CCOCC1 214685209 SOJRDDYXEHODMK-NBVRZTHBSA-N 415.515 2.572 10 40 HFCB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(Cc3ccccc3O)C[C@H]21 514289009 FCGWUJTXBPAXKX-KNQAVFIVSA-N 404.470 2.510 10 40 HFCB biogenic,in-vitro O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CCS(=O)(=O)O 5371947 DETAXTKHNNENRZ-YFHOEESVSA-N 408.320 2.538 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C2=O)c1 5710850 ARUXVSYIRBTWIW-ZSOIEALJSA-N 414.801 2.778 10 40 HFCB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)s1 26082554 ZMPQXMIEBMWWDT-QGZVFWFLSA-N 407.561 2.592 10 40 HFCB CCN1C(=O)C(=CNc2nc3c(s2)COc2ccccc2-3)C(=O)N(CC)C1=S 8484648 MGWFVDMGMLRWHH-UHFFFAOYSA-N 414.512 2.994 10 40 HFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 8753605 NMJSKRGHXFRERG-QFQXNISHSA-N 416.274 2.578 10 40 HFCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838383 VZFUFKJUMLPKDZ-DEOSSOPVSA-N 423.557 2.946 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1 104315442 BXNHLUPSDGPLCF-QNBCRBJRSA-N 421.413 2.919 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408692904 YBKVRFSAMBZYDW-KPKJPENVSA-N 423.263 2.871 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 408951643 JLCIJZXMNICDBM-YLTNESKFSA-N 407.338 2.546 10 40 HFCB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 5669920 JHQIGYJGIOOGAW-YFWFAHHUSA-N 410.430 2.949 10 40 HFCB O=C1/C(=C/c2cnn(-c3ccccc3)c2)SC(=S)N1CCCN1CCOCC1 12944401 QMAXLSUTQJJLLM-AQTBWJFISA-N 414.556 2.796 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 102941271 MVQTXYTUVHSXSU-KGNHYALCSA-N 407.386 2.611 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3cccc(C)c3)C2=O)cc1 408535911 UOYKUHOIGDTHNB-SFQUDFHCSA-N 408.414 2.682 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 408955133 SPOAEVBHEIHZHI-OQLLNIDSSA-N 424.409 2.879 10 40 HFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 409203073 UXUWZVBRAQAJFL-YRNVUSSQSA-N 401.762 2.929 10 40 HFCB O=C1/C(=C/c2ccc(N3CCOCC3)o2)C(O)=NC(=S)N1c1ccc(F)cc1 1275415 QUBXXZZROQWSNZ-RVDMUPIBSA-N 401.419 2.927 10 40 HFCB CCOC(=O)C1=C(COC(=O)c2cc(C)n(-c3ccccc3)c2C)NC(=O)N[C@@H]1C 5622904 XHVPPDUUVWMPFQ-CQSZACIVSA-N 411.458 2.769 10 40 HFCB COc1cc(C)cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1O 23508425 RKACTIITEDPEJY-MDWZMJQESA-N 402.516 2.828 10 40 HFCB O=C(CSc1cnc2ccccc2n1)C1=S=C2N=Cc3ccccc3N2C1=O 409415789 LYHZJIPKSKYQCT-UHFFFAOYSA-N 404.476 2.763 10 40 HFCB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 8427932 SEZGJOYTJPJMCR-UHFFFAOYSA-N 404.507 2.917 10 40 HFCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 8870222 KYACKYOKLMTYMV-DHDCSXOGSA-N 413.436 2.954 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 20024467 IRNHPRNPGSHNDH-QNGOZBTKSA-N 418.497 2.716 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 408530743 FSHVHUQQKROBRQ-WJDWOHSUSA-N 424.409 2.686 10 40 HFCB CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4093428 QENMMKTVMQNPRT-KRWDZBQOSA-N 401.536 2.865 10 40 HFCB CC(C)C[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374895 HLBIUNKPMJNSEK-XDPMZMSMSA-N 406.529 2.893 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(O)c1 408884723 YFGKCLRKSYZMEU-RIYZIHGNSA-N 417.215 2.830 10 40 HFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(I)o2)C1=O 14132651 WRMCAEHTMMYYRT-DHZHZOJOSA-N 422.178 2.859 10 40 HFCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1O 36613187 GUNYTRIWYRPWTF-BJMVGYQFSA-N 418.290 2.839 10 40 HFCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCCO)cc1 112286532 QOVMZZFPKWVPMU-RGEXLXHISA-N 410.430 2.600 10 40 HFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408526504 CGHQCMZOVFCEKA-LGMDPLHJSA-N 418.501 2.970 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCOCC3)ccc21 13008362 KEVVYNAPFJCWGY-NRFANRHFSA-N 423.513 2.601 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21 21886902 QUKQRKNVMPPYGY-HSZRJFAPSA-N 409.530 2.638 10 40 HFCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)NC1=S 4676668 JABFFQXEZZRCBC-BOPFTXTBSA-N 411.483 2.527 10 40 HFCB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 6831413 VMUDKNITIJJURZ-RNCFGZQNSA-N 415.515 2.559 10 40 HFCB O=C(NN1C(=O)/C(=C/[C@@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc(O)c1 20227356 UZWWILGFGGBPER-GRRFOWRYSA-N 411.464 2.517 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1 408758628 OEDCICFSSJOAHP-SXGWCWSVSA-N 411.395 2.920 10 40 HFCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Br)o1 409201227 KRTBKSPVMAOSTN-YRNVUSSQSA-N 406.148 2.617 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 9329414 WHCZYUDKGUGBRG-RIYZIHGNSA-N 400.362 2.518 10 40 HFCB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)s1 222737025 BHFZILBMIOAEDU-CYBMUJFWSA-N 423.564 2.916 10 40 HFCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 408813751 YLADCOZJELHSDS-QGOAFFKASA-N 408.410 2.928 10 40 HFCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 13647324 QMQAKPJJXXDMKV-UHFFFAOYSA-N 401.532 2.678 10 40 HFCB CN1C(=O)/C(=C\c2c[nH]c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957254 ZJPYSSGCQFQZJB-UNOMPAQXSA-N 423.494 2.706 10 40 HFCB CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cc(Cl)ccc1-n1cncn1 72308887 XIKPVMYKVCZHKY-UHFFFAOYSA-N 412.881 2.824 10 40 HFCB O=C(NC[C@H]1CCCNC1)c1cnn2c(O)cc(CCc3cccc(Cl)c3)nc12 257283293 OXROPMXTKKEKFL-HNNXBMFYSA-N 413.909 2.603 10 40 HFCB O=C1/C(=C\c2ccco2)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 4745559 STRZWHLWBNTDMV-DTQAZKPQSA-N 402.497 2.896 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)cc1 10059504 SHNJCESDUMUPLB-LVLBFHFTSA-N 424.409 2.604 10 40 HFCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1[C@H]1CCS(=O)(=O)C1 16729304 ADZMRZJMVLEZHT-BZPKPHBRSA-N 418.359 2.837 10 40 HFCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1O 408889201 FMJHCNIBEVNHDY-MDWZMJQESA-N 403.188 2.527 10 40 HFCB Cc1cc(C(=O)COC(=O)[C@@H]2CC=CCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6291019 CJOVDVFUFVCRNR-MRXNPFEDSA-N 416.499 2.824 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1C 409146456 SRJHFUMNEWWCCV-LDADJPATSA-N 423.444 2.946 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 409217459 VOHWDHQCZXYVCO-KMTKGMGQSA-N 417.531 2.864 10 40 HFCB CCN1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20142264 MKIJAOSWIHUTJA-QHCPKHFHSA-N 419.577 2.709 10 40 HFCB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 62225762 VYAYLMFGWSQCMT-UHFFFAOYSA-N 401.532 2.857 10 40 HFCB O=C1NN[C@@H](c2ccccc2O)[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 6597059 RDXXVOXVYNVJCU-YADHBBJMSA-N 401.466 2.913 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC)c3)C2=O)cc1 408880238 GTLIQFJCMIVYLX-QGOAFFKASA-N 408.410 2.928 10 40 HFCB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 1353708 UEVXCPBOVFZCSB-UHFFFAOYSA-N 424.501 2.514 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)ccc21 71850258 PHBSXOBEIBGZGJ-GOSISDBHSA-N 419.572 2.600 10 40 HFCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)OCO2 1125284 ABDYBZXPCVEXTB-VGOFMYFVSA-N 410.451 2.872 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S 1213363 MSFIDAOGTXQGGE-YHYXMXQVSA-N 418.290 2.538 10 40 HFCB CC1(C)C[C@H](O)C[C@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 19832589 LMGUPZRPNJYARL-QUJIEGTPSA-N 419.909 2.974 10 40 HFCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408814238 ONBCKQIBSFMLBL-CXUHLZMHSA-N 411.370 2.669 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1Br 408948261 FEZHKERYUVEZCB-KPKJPENVSA-N 415.199 2.844 10 40 HFCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(F)c3)C1=O)OCO2 4723775 OUTKOYRAPBJKDY-MKMNVTDBSA-N 414.414 2.784 10 40 HFCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 33547147 OWZPUNLECMJRTH-ZRRZQRFHSA-N 416.817 2.662 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc(F)c1 13649317 LOTRLSPUTUTPLG-UHFFFAOYSA-N 419.522 2.898 10 40 HFCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCN1CCOCC1 100423234 RMIMSGYBZQPSSV-CYVLTUHYSA-N 413.547 2.995 10 40 HFCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 107723437 FEUNJUZXSCDEAN-LDADJPATSA-N 409.442 2.941 10 40 HFCB O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 2594804 ADUVYGLUIPEQDG-PTNGSMBKSA-N 404.538 2.975 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1coc2ccc(O)cc2c1=O 9109741 TXRGBSYDSYHVJO-VIZOYTHASA-N 410.769 2.818 10 40 HFCB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1cc2c(cc1O)CCC2 32784158 FJCKWFRHVSSDGO-LJQANCHMSA-N 403.548 2.686 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)cc1 34736976 NZQINWSIZKNAIO-CXUHLZMHSA-N 416.480 2.956 10 40 HFCB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392520 UNVKPMMEZGAVBU-QHCPKHFHSA-N 422.573 2.740 10 40 HFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccc(O)c(O)c1 9419516 ICOZDNDPCSDKKI-DHDCSXOGSA-N 420.537 2.719 10 40 HFCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NN2CCOCC2)cc1 13654077 QDSWVWHCKPIZJU-PGMHBOJBSA-N 422.485 2.566 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)NC2=S)cc1 5881674 IQCALJMDBZJGBE-LFIBNONCSA-N 412.467 2.852 10 40 HFCB CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225852330 VFNRRAMQOHFPDX-HXUWFJFHSA-N 403.548 2.782 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 408770806 AVNHSBZRESGMBH-NSIKDUERSA-N 409.354 2.607 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)c1 1202379 WGOUPSQLFOHMFV-XYOKQWHBSA-N 422.178 2.859 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(F)cc3Cl)nnc2n1 3221422 DLUWKRXLEAKVBP-UHFFFAOYSA-N 424.893 2.906 10 40 HFCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 4747747 BWEJEQPOMHIQRI-QGOAFFKASA-N 407.426 2.970 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 7371798 INQDMFQYUNYTKQ-UHFFFAOYSA-N 401.850 2.605 10 40 HFCB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)c2ccccc21 8821626 PSDUGQCADSLGSD-FARYLTDUSA-N 418.496 2.650 10 40 HFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(O)c(I)c1 1405975 ZXXSMUBLILBGLS-UHFFFAOYSA-N 400.168 2.751 10 40 HFCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)OCC(=O)N1CCCCC1)c2[N+](=O)[O-] 9403226 HFLDZMJHXSBRDL-UHFFFAOYSA-N 422.393 2.540 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 12363137 MVWVGAHEKKTOHW-MFVBVHDHSA-N 410.451 2.678 10 40 HFCB CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)NC1=S 409005925 HEJKYRNNYHWJDO-WTKPLQERSA-N 406.099 2.995 10 40 HFCB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC(=S)N1C1CCCC1 8764804 ZTSUMHXBMLBMSL-GJRBHXFNSA-N 401.557 2.912 10 40 HFCB biogenic CC(C)(C(N)=O)N1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 72308867 YAOKHOGEHWCIIL-OCEACIFDSA-N 408.506 2.922 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 108074751 FALRALRNZWSLHF-OQLLNIDSSA-N 402.453 2.653 10 40 HFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)c(C)c([N+](=O)[O-])c2)C1=O 408528989 GPPMPUHCACXLBC-GXDHUFHOSA-N 410.386 2.799 10 40 HFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c(O)c1 408741582 QSPWOPSLQNSZSV-LDADJPATSA-N 409.442 2.913 10 40 HFCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)SC1=S 8821627 ZEYDOJRYGVGEBR-YCPJBFQXSA-N 418.496 2.795 10 40 HFCB Cc1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c(C)n1-c1ccccc1F 40157767 BCNWWKXCPPBZCB-UHFFFAOYSA-N 409.468 2.709 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O 4459202 LXCLXLZKNHYQKJ-WQLSENKSSA-N 402.750 2.533 10 40 HFCB CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 8429088 NLJICDXPDDNUPT-UHFFFAOYSA-N 417.575 2.844 10 40 HFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1 17087880 NNKITDGXUHHWOW-ZHZULCJRSA-N 408.414 2.924 10 40 HFCB COc1ccc(N2CCCCC2)cc1C(=O)N1CC[C@H](c2ncc(C(N)=O)c(C)n2)C1 19758138 QVOQPHWBDDMJEI-INIZCTEOSA-N 423.517 2.513 10 40 HFCB COc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 56997529 IDRBTJLXAMJSSI-UHFFFAOYSA-N 417.575 2.721 10 40 HFCB COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2c1 409394122 VYVMPXOGGKKFKG-LDADJPATSA-N 403.394 2.918 10 40 HFCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccccc2)c1=O 13590370 FMPSYCGTWSQOMQ-WJDWOHSUSA-N 422.828 2.691 10 40 HFCB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 223708539 OAJVYELYDAKWLC-INIZCTEOSA-N 422.572 2.805 10 40 HFCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409185185 TZCQRRHCOPOLAK-LDADJPATSA-N 408.410 2.683 10 40 HFCB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 20171479 QJPXLPASROGTHJ-QFIPXVFZSA-N 423.513 2.938 10 40 HFCB COc1ccc(C(=O)NC2(NCc3ccccc3)C(=O)c3ccccc3C2=O)cc1 226298076 FBIVYAKOFOCDLA-UHFFFAOYSA-N 400.434 2.990 10 40 HFCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 9311420 GBDRWLHKRDWPKI-DHDCSXOGSA-N 424.409 2.879 10 40 HFCB COc1cc(Br)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 1216184 LWEHMBJRAMNNCW-MDWZMJQESA-N 403.232 2.928 10 40 HFCB CS(=O)(=O)N[C@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1 54468714 AKALRTLDXCABNJ-AWEZNQCLSA-N 413.337 2.822 10 40 HFCB CCCCN1C(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C(=O)N=C1S 102565111 BYXAENNGKOBZKK-JXAWBTAJSA-N 400.548 2.579 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCCC2)cc1 5341012 MXTNYNKVYCFFPS-HXUWFJFHSA-N 416.472 2.923 10 40 HFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)S2)CC1 9188897 MTJAUHLMKBOSGD-WJDWOHSUSA-N 420.487 2.655 10 40 HFCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733244 YXBGXTSAHRPFEP-QFIPXVFZSA-N 409.530 2.881 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408913641 VURDJKIWFXDKBG-NTUHNPAUSA-N 417.874 2.702 10 40 HFCB COc1ccc(N2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)CC2)cc1 12540595 GSGCAKRKTHOBQA-UHFFFAOYSA-N 408.546 2.556 10 40 HFCB CCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCC)C2=O)c2ccccc21 28048191 IGHKNZIWAFRIFX-NXVVXOECSA-N 404.513 2.968 10 40 HFCB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 56184551 DZICMRFDMAFIQZ-AWEZNQCLSA-N 411.321 2.774 10 40 HFCB C[C@]12CC[C@@H]3c4c(-n5cnc(N)c6ncnc5-6)cc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O 103569039 LWOXXVDIEGNZNP-GXPADDFNSA-N 421.501 2.978 10 40 HFCB in-vitro O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408869118 RMLGGJIFDCYJCT-UHFFFAOYSA-N 417.830 2.742 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC 408774930 YYGTVDWRAYKXSS-CXUHLZMHSA-N 410.426 2.996 10 40 HFCB COc1ccc(N2CCCN(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 48340464 VXYNZIUJYXFFLO-VGOFRKELSA-N 400.523 2.666 10 40 HFCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 100049628 ISIJLUXQMTWMLC-AMGRQBIBSA-N 402.388 2.507 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC 409228185 VMWGGMYBTIVQHE-NTEUORMPSA-N 412.467 2.852 10 40 HFCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@H]2C1 4027948 MPDJTMAICNXNSF-FNCBLQQISA-N 406.525 2.690 10 40 HFCB biogenic O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 41076793 FFZYEWIBCULOPF-MHWRWJLKSA-N 406.350 2.900 10 40 HFCB COc1ccc(N2CCN([C@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 57426041 YYEVFXWGVSWDQI-LJQANCHMSA-N 424.545 2.611 10 40 HFCB C[C@H]1CN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 95468167 STJPBKBHKFWSBY-BETUJISGSA-N 402.426 2.860 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=O)Nc3cccc(C)c3C)C2=O)cc1 408527160 CVXXYFSRLBSDNN-SFQUDFHCSA-N 422.441 2.991 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)S1 408763211 RRGOSJRZUXQDJR-YBEGLDIGSA-N 411.395 2.920 10 40 HFCB NC(=O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1749880 LPUOPFKTYFMCIZ-UPELFTJXSA-N 405.284 2.523 10 40 HFCB COc1ccccc1C(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1301008 KMNKEKLVAMCZOS-PFONDFGASA-N 411.464 2.564 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 1508483 YWDDNDQPRKGCBD-XNTDXEJSSA-N 411.370 2.669 10 40 HFCB CN1C(=O)/C(=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S 32124793 WFDCJWFAOPTBSO-QBFSEMIESA-N 402.544 2.536 10 40 HFCB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 97951961 QJPXLPASROGTHJ-JOCHJYFZSA-N 423.513 2.938 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)S1 409084580 PSJAXBNSHBRCOH-LFIBNONCSA-N 402.453 2.561 10 40 HFCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)NC1=S 2126786 KEVADGFSYVXQTA-XYOKQWHBSA-N 404.831 2.945 10 40 HFCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)O 408530230 LLBBUAMKUODRKR-YHYXMXQVSA-N 418.290 2.800 10 40 HFCB C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 33585270 RPKPCZUDZKOHDP-MBBDXHFBSA-N 418.452 2.912 10 40 HFCB COC(=O)/C=C/c1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 48341333 PMNCYVSQXOGDIJ-CSKARUKUSA-N 424.457 2.542 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409089140 NFNSPCJPGSRJDZ-MOSHPQCFSA-N 422.441 2.833 10 40 HFCB Cc1ccc(O)c(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c1 12143395 YAMKGFIJZCODHC-JOCHJYFZSA-N 410.493 2.977 10 40 HFCB Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc2c(c1)OCCO2 16050980 CRYOHRKAGMHYIR-UHFFFAOYSA-N 408.410 2.593 10 40 HFCB Cc1cc(Br)ccc1N/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 109091032 LNKJQXVEFYBGDG-JYRVWZFOSA-N 404.220 2.925 10 40 HFCB CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374902 WZPXEQGGDJHMSL-TXHMYNSFSA-N 406.529 2.893 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 8964109 CGTSHYYVZCFWRA-OAQYLSRUSA-N 410.493 2.710 10 40 HFCB COc1ccc(-c2cc3ccc(O)c(CNCCCN4CCOCC4)c3oc2=O)cc1 13690883 FAMOPPFPRMBRRV-UHFFFAOYSA-N 424.497 2.986 10 40 HFCB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(O)nc3O)cc2)c1C 104091253 ORBJEGHZJULAIB-MRCUWXFGSA-N 404.408 2.896 10 40 HFCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)NC1=S 409105541 IKTDNHDEWBIFHM-XDJHFCHBSA-N 421.522 2.917 10 40 HFCB COc1ccc([C@@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 2965869 FIXGJEQVHPCWNQ-NRFANRHFSA-N 401.508 2.883 10 40 HFCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1C 681562 ARQQKLFZIKSCCX-MHWRWJLKSA-N 413.499 2.973 10 40 HFCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 16909871 KTNQDOMOQIMZMR-XNTDXEJSSA-N 414.464 2.696 10 40 HFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409108902 YTVHJABGWTXWNM-SFQUDFHCSA-N 421.453 2.970 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21 8964095 VJOCSELXIHGFAF-HSZRJFAPSA-N 424.589 2.939 10 40 HFCB Cc1cc(C(=O)NCCCN2CCC(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 40121316 UFCBRXMCRSAGSO-UHFFFAOYSA-N 400.498 2.550 10 40 HFCB CCS(=O)(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 4061791 SBVZRXRXBYHMNK-UZLBHIALSA-N 423.604 2.948 10 40 HFCB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 4914375 TUEYWNKNHRPXFU-CYBMUJFWSA-N 406.460 2.508 10 40 HFCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 19800581 CWNFOYBAHBGDQX-WBOGTDJTSA-N 418.359 2.837 10 40 HFCB O=C(O)CN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 256055574 LTTFZVKPSKULDE-BASWHVEKSA-N 408.844 2.903 10 40 HFCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 3505696 ZBCURHVQZNBZKK-UHFFFAOYSA-N 409.442 2.870 10 40 HFCB CC(C)[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 9187714 KKFHNFQJJWMKQL-SFKKXYGYSA-N 418.544 2.908 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OC 408692142 FFXSWLFAOZJMBF-GHXNOFRVSA-N 423.263 2.871 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCCC2)cc1 4330712 GMPOEHYYXVFDAT-HXUWFJFHSA-N 416.472 2.923 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 4739032 GCGKMNXRDHXCTM-LFIBNONCSA-N 412.467 2.934 10 40 HFCB Cn1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c2ccccc21 13777033 YYONBJMERXAXBK-HRYODUOUSA-N 404.469 2.698 10 40 HFCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838254 NWVCLRYXTXQRLD-QHCPKHFHSA-N 409.530 2.881 10 40 HFCB CCc1c(C)nc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)[nH]c1=O 19521546 YJFQJHDPLDIFMG-GOSISDBHSA-N 414.525 2.996 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1 104315396 MVQTXYTUVHSXSU-LINNUKDLSA-N 407.386 2.611 10 40 HFCB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccc(N(C)C)cc1)N=2 408732593 SECARRHYGTWEQF-VZZQTLFRSA-N 413.543 2.725 10 40 HFCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3OCC)C1=O)OCO2 409249550 USTOUJXLOYIYRE-NTEUORMPSA-N 424.409 2.879 10 40 HFCB N=C1/C(=C\c2coc3ccccc3c2=O)C(=O)N=C2SC(c3ccncc3)=NN12 5201180 XACFMCPSHAGRDW-OVDNTTTISA-N 401.407 2.855 10 40 HFCB CN1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)CCN3C)CC1 22733623 AASOZAFVMXEOOI-NRFANRHFSA-N 414.500 2.676 10 40 HFCB CC(C)OC(=O)COc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107935939 RJDQPSORHZDZPU-UNOMPAQXSA-N 423.469 2.544 10 40 HFCB Cc1ccc(O)c(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257321004 VZRIFVXNFAKQBE-NRFANRHFSA-N 404.894 2.879 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)cn3N)CC2)cc1 4400053 YPOMRFSRQFCMDZ-UHFFFAOYSA-N 423.542 2.713 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 8138850 QFDGVONZLODELU-UHFFFAOYSA-N 403.523 2.991 10 40 HFCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc([N+](=O)[O-])c1O 41107957 GTTQBUSZHWYOHT-FLHGRMRGSA-N 423.410 2.976 10 40 HFCB O=C1N=C(Nc2ccccn2)S/C1=C\c1cc2cc3c(cc2[nH]c1=O)OCCO3 54361091 XRGILIIYWIVZFT-SXGWCWSVSA-N 406.423 2.777 10 40 HFCB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 56184549 DZICMRFDMAFIQZ-CQSZACIVSA-N 411.321 2.774 10 40 HFCB CN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 19618527 ZEGIJHAYNYJTLA-QINSGFPZSA-N 409.964 2.705 10 40 HFCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409135975 VLMWNQYZWBTFFD-MHWRWJLKSA-N 408.451 2.650 10 40 HFCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 31829090 RUDKMYZVMSRQMB-HMMYKYKNSA-N 421.457 2.737 10 40 HFCB aggregator Cc1cc(=O)c(C(=O)NCc2cc([N+](=O)[O-])ccc2O)nn1-c1ccccc1Cl 34892055 IRPKCWDZHXPIQN-UHFFFAOYSA-N 414.805 2.738 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(CSC)o3)CC2)cc1 3422464 RDRNDGLAKQNLJF-UHFFFAOYSA-N 404.488 2.657 10 40 HFCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 4498118 NWCIEIWXPGSOKS-PDGQHHTCSA-N 418.453 2.860 10 40 HFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O 16695959 PEGRKCLDEOILOG-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB COc1ccc2cc(/C=C3\SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)c(=O)[nH]c2c1 102723370 GJYDPWNKBXGOCT-GSHXUFRSSA-N 418.496 2.847 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 409373957 XGLVPMOEPFVIQL-KPKJPENVSA-N 405.204 2.713 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 5348994 PRGIOMDFWSHPTC-QPEQYQDCSA-N 404.425 2.523 10 40 HFCB Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838381 VZFUFKJUMLPKDZ-XMMPIXPASA-N 423.557 2.946 10 40 HFCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 408847848 VZKALSGPMNMFGJ-HPUUJOOBSA-N 414.801 2.858 10 40 HFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)cc2)C1=O 409047055 MJYAVLJQYCLOTG-NTEUORMPSA-N 414.801 2.778 10 40 HFCB CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OS(C)(=O)=O 4656117 OUVWOPULSLAFOO-KBEFMPHXSA-N 407.473 2.591 10 40 HFCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008581 MHPFXJQQDLTWSA-QFIPXVFZSA-N 424.545 2.825 10 40 HFCB COc1ccc(N2N=C(C)/C(=C/NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 16160697 YFTQDOCKALDMPF-GDNBJRDFSA-N 412.362 2.735 10 40 HFCB COc1ccc(N2CCN(CCNC(=O)C3(c4ccccc4)CCOCC3)CC2)cc1 56997228 MQNRRMPFHHIZGX-UHFFFAOYSA-N 423.557 2.682 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408914314 PFEJPJQLBJGEHK-NTUHNPAUSA-N 418.862 2.912 10 40 HFCB Cc1ccc(N2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl 5547183 RKCOYYSPCQGKNT-QCDXTXTGSA-N 401.762 2.747 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1OC 13811239 DKDRUFBSDIDDQY-SSZFMOIBSA-N 408.545 2.627 10 40 HFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCOC(C)C 17091396 HCJWSOXVHIZBKE-RGEXLXHISA-N 418.450 2.539 10 40 HFCB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 32679036 UPVHLYJUJIFGIC-UHFFFAOYSA-N 412.555 2.876 10 40 HFCB Cc1cc(C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccccc1F 40058039 GZOIFIKOOOFIMO-UHFFFAOYSA-N 421.432 2.771 10 40 HFCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 4330669 UDGCTXSBIXRJJC-NRFANRHFSA-N 424.545 2.961 10 40 HFCB CN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 4703692 FQEMASCCXOGIHW-RIYZIHGNSA-N 414.801 2.709 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225400938 GXTCRMKNONFSLA-UHFFFAOYSA-N 417.575 2.919 10 40 HFCB COc1ccc2c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(C(=O)O)[nH]c2c1 256055530 JTNPWNDQQFWNIF-JYRVWZFOSA-N 420.468 2.941 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3nnc(NC(C)C)s3)CC2)cc1 4500645 QBNXNPDIJQOUPR-UHFFFAOYSA-N 407.565 2.808 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1O 12285277 FETIYUPFNCDKFC-MDWZMJQESA-N 417.215 2.830 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O 33526744 GEAHNZQFDYTOAS-OVCLIPMQSA-N 414.464 2.930 10 40 HFCB CC(C)NC(=O)CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 35269385 YEDMRFJCSRFMCH-FMIVXFBMSA-N 412.578 2.749 10 40 HFCB COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(OC)c1O 59104312 WINWYMAFHFCPEV-LFYBBSHMSA-N 412.354 2.645 10 40 HFCB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 408963452 BRGIOVUYCMESKH-AWNIVKPZSA-N 400.774 2.744 10 40 HFCB C[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9429374 GPOVJBMESUOROS-COOUDCDJSA-N 402.497 2.934 10 40 HFCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(O)[nH]c(=O)[nH]c1=O 17837565 CSOKROTVCNGJPA-QPJJXVBHSA-N 415.620 2.535 10 40 HFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)c1 409189375 KHJAJHVHOBRDKY-VVBXCHJUSA-N 424.409 2.604 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC(C)C)cc3)CC2)cc1 4245823 QHWDACJDMBOYES-UHFFFAOYSA-N 412.486 2.988 10 40 HFCB Cn1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c2ccccc21 13777030 YYONBJMERXAXBK-IAOKNECISA-N 404.469 2.698 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 17091391 JDIHKPMNBJLGGD-UHFFFAOYSA-N 418.450 2.579 10 40 HFCB CC(=O)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33446774 ZWQBBGVGXRHJHO-QPEQYQDCSA-N 401.762 2.635 10 40 HFCB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCc3ccccc31)=C2C 219191152 LLRBLEMUVDTPRO-UHFFFAOYSA-N 414.483 2.804 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c(C)c1 409106299 REEOGZGYFWACQK-XMHGGMMESA-N 421.522 2.971 10 40 HFCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)cc1 852843 PQBBXXONIWEJMM-RIYZIHGNSA-N 403.257 2.986 10 40 HFCB CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 4093427 QENMMKTVMQNPRT-QGZVFWFLSA-N 401.536 2.865 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1 13788281 QEHCQLGQKBDKHD-LGMDPLHJSA-N 408.545 2.627 10 40 HFCB CCOc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 98002409 XSGJMZVCLBKEGA-GHRIWEEISA-N 408.545 2.627 10 40 HFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=S)Nc2ccc(C)cc2C)C1=O 408536305 WAZBKCZNOCROAY-SDNWHVSQSA-N 424.482 2.765 10 40 HFCB O=C(O)CN1C(=O)/C(=C/c2ccccc2I)SC1=S 1601319 ZEDBRRDLSSHTQZ-UITAMQMPSA-N 405.238 2.577 10 40 HFCB COc1ccccc1N1C(=O)/C(=C/NCCc2c[nH]c3ccccc23)C(=O)NC1=S 1842068 AFOMGVIMJHBDCY-DTQAZKPQSA-N 420.494 2.640 10 40 HFCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NS(C)(=O)=O)CC2)cc1 4061788 QQPYIFKXZFUBPW-DNVCBOLYSA-N 409.577 2.558 10 40 HFCB CN1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc(N(C)C)cc2)CC1 22589165 UHAJLTAQXFVYDD-FQEVSTJZSA-N 402.489 2.749 10 40 HFCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 408901339 XHJKUPHZVUNCQQ-OQLLNIDSSA-N 411.370 2.674 10 40 HFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798832 KZPOXEKQZXISCI-NRFANRHFSA-N 403.548 2.659 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1 104315401 MVQTXYTUVHSXSU-KYAFNBKBSA-N 407.386 2.611 10 40 HFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408894284 PPTVFFBSMKOPKO-SXGWCWSVSA-N 409.398 2.871 10 40 HFCB Nc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 6045716 UITLVASIJMLCKR-UHFFFAOYSA-N 400.390 2.840 10 40 HFCB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCOCC2)cc1 13648048 IFCCXCSBWNUKAH-UHFFFAOYSA-N 401.488 2.981 10 40 HFCB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCCC2 937072 VTIXJXSDOKGGGF-HNNXBMFYSA-N 413.499 2.658 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 4125217 BJCPPTNODCQTAD-UHFFFAOYSA-N 400.391 2.782 10 40 HFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 6136092 DPTVVQCOAOWCTP-LICLKQGHSA-N 421.384 2.620 10 40 HFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1013602 MBXBZXIHGLBFQG-WQRHYEAKSA-N 410.401 2.803 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c(OC)c1 1238004 WKRLVRCTYAMDEX-SXGWCWSVSA-N 416.480 2.956 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 100149916 FTKFJVSVRJFQAR-KTZOAPACSA-N 422.828 2.888 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 224671267 VKTFQPYGSAJQPB-UHFFFAOYSA-N 407.511 2.754 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 408855669 FYVIXBYOOPAMAI-XYOKQWHBSA-N 416.430 2.683 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccn1-c1ccccc1 9264422 XRPHWIQQRLSBCL-BOPFTXTBSA-N 401.378 2.872 10 40 HFCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 223297035 MRALZEXRSGVEDF-UHFFFAOYSA-N 403.548 2.542 10 40 HFCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1[N+](=O)[O-] 8859973 DPCMDGLZGJKCSG-UHFFFAOYSA-N 407.433 2.679 10 40 HFCB COC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108134365 GFYRITJVNZKQGO-COOUDCDJSA-N 400.818 2.742 10 40 HFCB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2)cc1C 9435022 PVLNHVFTPZDCNA-UHFFFAOYSA-N 421.453 2.755 10 40 HFCB CN1C(=O)/C(=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c2ccccc21 8821909 ABMYRYQFLSKTKN-HNENSFHCSA-N 422.485 2.965 10 40 HFCB CC(C)[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2ccco2)SC1=S 9187715 KKFHNFQJJWMKQL-RBFDBLARSA-N 418.544 2.908 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1OC 13714218 MXYAIYKBKYMFJH-GDNBJRDFSA-N 416.480 2.956 10 40 HFCB COC(=O)COc1ccc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)cc1 408772660 DYKZXLBHNOCXIU-WQRHYEAKSA-N 411.410 2.704 10 40 HFCB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc2c(c1)OCO2)CO3 9060863 IKLWNEBZUNDOPP-UHFFFAOYSA-N 409.394 2.902 10 40 HFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 24376087 NNYXNFMRQQBBKL-UHFFFAOYSA-N 410.395 2.758 10 40 HFCB O=C1/C(=C/c2cc([N+](=O)[O-])c(O)cc2O)C(O)=NC(=S)N1c1ccccc1F 59135799 GANDEFGVLYGEJJ-WEVVVXLNSA-N 403.347 2.817 10 40 HFCB CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)N2CCOCC2)SC1=S 408571331 BBVCCRGFELSDGO-WJDWOHSUSA-N 406.529 2.534 10 40 HFCB CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 12750166 MMFHLFKVZVHWAJ-UHFFFAOYSA-N 407.448 2.973 10 40 HFCB CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 18215485 FEDHIELVDXVJNK-UHFFFAOYSA-N 415.559 2.616 10 40 HFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(Br)ccc1O 408586194 LURWPKWQFMOCEQ-UVTDQMKNSA-N 410.264 2.864 10 40 HFCB COc1cc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc(OC)c1OC 1276861 KCMQLOQTKVJNFW-ZSOIEALJSA-N 411.501 2.865 10 40 HFCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964129 RHDYFKUFUQUFNP-JOCHJYFZSA-N 422.529 2.579 10 40 HFCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCC(N)=O)=N1 408991304 QDHWHTFMQPGHDI-HXUWFJFHSA-N 423.542 2.884 10 40 HFCB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1O 7428405 PTFBDSROAWIWGB-KRWDZBQOSA-N 417.487 2.860 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC)C2=O)cc1 408801572 VYRNNLFXHDAIPE-GHRIWEEISA-N 408.410 2.928 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C)cc1 408816074 QWUJSJKCVWZQNL-UHFFFAOYSA-N 400.818 2.985 10 40 HFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 4696479 LWZVABANFGIXMB-HVVQPJKBSA-N 417.458 2.564 10 40 HFCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1 12032379 JQHBFJYPGQXQDI-VKAVYKQESA-N 419.572 2.594 10 40 HFCB C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 13574491 RPKPCZUDZKOHDP-JNNKLVPLSA-N 418.452 2.912 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 35226009 HPOOHINHUFBZTE-CXUHLZMHSA-N 414.464 2.970 10 40 HFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ncccc1C 112286493 ALBUQEAKFWJCTL-AQTBWJFISA-N 409.402 2.950 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1O 408695709 XOUVBRHMBYIWCI-KPKJPENVSA-N 423.263 2.958 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OC(=O)c2cccc3ccccc23)c1 408898465 LPCFFFDTQZYGNH-UHFFFAOYSA-N 402.431 2.973 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1OC 1197405 CEWKFKPYOFPBLN-XNTDXEJSSA-N 414.389 2.514 10 40 HFCB COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33793260 CTMZDPPJUGXINE-GHXNOFRVSA-N 418.203 2.827 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 408739610 CZQBAJQQIIOQMI-MDWZMJQESA-N 417.215 2.830 10 40 HFCB CN(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 28046576 IBUMWOIKKUGFMD-UHFFFAOYSA-N 421.950 2.877 10 40 HFCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)O 409083911 USWOQNSIEUCDSG-WPBJZHHJSA-N 423.512 2.929 10 40 HFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 4703332 OGOYKBIANQQJTM-XFFZJAGNSA-N 406.148 2.617 10 40 HFCB O=S(=O)(Nc1ccccc1I)c1cccc2nonc12 14254645 AOTRXEXDGVNAKH-UHFFFAOYSA-N 401.185 2.628 10 40 HFCB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409217149 SOILPIGBTGRVMN-GHRIWEEISA-N 404.488 2.903 10 40 HFCB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)cn2C 22237326 ZDFCVAJIIPMRDW-UHFFFAOYSA-N 421.497 2.908 10 40 HFCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3c(C)cccc3C)CC2)cc1 22608900 ULOFMMSSDWYEDX-JOCHJYFZSA-N 414.546 2.891 10 40 HFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)C(=O)NC2=S)c1 408740241 FEEMHISIPSQCRD-GZTJUZNOSA-N 410.451 2.703 10 40 HFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2 409084245 CDZNMWUOKQMEKX-NVNXTCNLSA-N 410.451 2.954 10 40 HFCB COc1ccc(N2CCC(O)(CN3CCCC[C@@H]4[C@H]3CCN4C(C)=O)CC2)cc1 585282578 HFENOYHTCAWKLJ-FGZHOGPDSA-N 401.551 2.502 10 40 HFCB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4933335 LEXNADFZNLVQFV-FOWTUZBSSA-N 404.488 2.901 10 40 HFCB O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 6138965 ADUVYGLUIPEQDG-RVDMUPIBSA-N 404.538 2.975 10 40 HFCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3F)N3CCCC3)ccc21 8800949 UQSSKXBCDAYVHF-FQEVSTJZSA-N 403.523 2.933 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3nc(Cl)ccc3Cl)CC2)cc1 12528189 ZKGXSNMTTKHYBB-UHFFFAOYSA-N 424.284 2.903 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3OCC)nnc2n1 23633574 YGXVJAWUHYQFCI-UHFFFAOYSA-N 416.511 2.512 10 40 HFCB CCN(CCCO)CC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 72308848 OMKFDMWVCGKOAW-UHFFFAOYSA-N 400.862 2.758 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCC3)ccc21 9135519 VSJJYBHHAKFUOG-JOCHJYFZSA-N 412.578 2.771 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N(C)C)ccc21 13008621 LTYOGFZHNFKTGT-FQEVSTJZSA-N 416.472 2.705 10 40 HFCB O=C(O)CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)SC1=S 13343515 HADLDIYFZVKOQI-GXDHUFHOSA-N 407.473 2.871 10 40 HFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(F)c3)C1=O)OCO2 13546768 OUTKOYRAPBJKDY-NSIKDUERSA-N 414.414 2.784 10 40 HFCB COc1ccc(N2CCN(CCCNc3nc(S)nc4ccccc34)CC2)cc1 575615408 HFAWRFWUZGNBAF-UHFFFAOYSA-N 409.559 3.551 10 40 HFCB COc1ccc2cc(/C=C3\SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)c(=O)[nH]c2c1 102723373 GJYDPWNKBXGOCT-XIEDVDOYSA-N 418.496 2.847 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N3CCCCC3)ccc21 9138436 KJUKGOVCHCMGGX-HXUWFJFHSA-N 400.567 2.627 10 40 HFCB COCC(=O)N(C)[C@@H](c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C 4562521 CQYSIDWRWVVOHX-NRFANRHFSA-N 408.506 2.539 10 40 HFCB COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc(Br)c1O 13387816 GATBBAAADRMXBC-XREMMQICSA-N 418.290 2.838 10 40 HFCB O=C(Nc1ccc([C@H](O)CN2CCN(c3ccc4c(c3)OCCO4)CC2)cc1)C1CC1 19332405 HLAHWQVCPIHEOR-OAQYLSRUSA-N 423.513 2.662 10 40 HFCB COC(=O)Cn1cc(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)nn1 89578107 TWIYKFKQNWYGOJ-UHFFFAOYSA-N 409.490 2.912 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(=O)O 409040558 GRTWMNZWTHYUPE-ZSOIEALJSA-N 400.774 2.713 10 40 HFCB COc1ccc2c3c(n(CCc4ncn(C)n4)c(=O)c2c1OC)-c1ccccc1C3=O 604404199 LBSFRYBDLSEEMR-UHFFFAOYSA-N 416.437 2.601 10 40 HFCB biogenic Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 4164090 ZXSPAIXDBQKSET-FQEVSTJZSA-N 416.543 2.656 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 4509464 YWDDNDQPRKGCBD-GDNBJRDFSA-N 411.370 2.669 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964041 VYEIOPLINLRSGT-QFIPXVFZSA-N 406.530 2.879 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCC3)ccc21 9135661 GZUJBGJPXAEVKT-QFIPXVFZSA-N 406.530 2.961 10 40 HFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)O)C1=O 409039295 CHEREVQHGPTCGL-RIYZIHGNSA-N 414.801 2.778 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1 409191258 FNSHPPWWYDZJJL-KWWJGWKXSA-N 410.451 2.678 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 409393331 QHCYDLQJPIVUBF-LFIBNONCSA-N 403.350 2.706 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3c(C)cccc3C)nnc2n1 4570518 GJDOYRIVHHPKAL-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(Br)cc1 14011167 QVRKGWGFEUGDEP-QPEQYQDCSA-N 415.199 2.844 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCc1ccc(O)cc1 33538764 OCTWNFNIGWMQKU-FOWTUZBSSA-N 402.497 2.935 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)O 409236227 FDJFIHNRRYRAQS-XDUBLRSXSA-N 424.409 2.522 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NC3CCCC3)C2=O)cc1OC 4263410 HIKCSIOZGJCIOR-YBEGLDIGSA-N 406.529 2.964 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O 5024036 AONZAHHQJVZRNA-PTNGSMBKSA-N 408.414 2.890 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)COc3cc(C)cc(C)c3)CC2)cc1 7794271 UYQJDDVDLHRHPZ-UHFFFAOYSA-N 412.486 2.583 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 8964108 XEWQPEAQCSDQKQ-NRFANRHFSA-N 410.493 2.710 10 40 HFCB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008681 CLLSGVNYTPZZDL-JOCHJYFZSA-N 408.546 2.989 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 19947215 AUCGSNXLMGGLTP-YKRMCXMESA-N 419.485 2.843 10 40 HFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccccc2Cl)c1 408880857 LBDGMNZDLGWNPS-UHFFFAOYSA-N 402.859 2.842 10 40 HFCB COc1ccccc1N1C(=O)NC(=O)/C(=C(O)\C=C\c2ccc(N(C)C)cc2)C1=O 101373811 GQGMNPVNLMVWRZ-DFQGMUSMSA-N 407.426 2.870 10 40 HFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408723404 UBNDLXSAJHZPTD-WUXMJOGZSA-N 403.803 2.785 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21 21886904 QUKQRKNVMPPYGY-QHCPKHFHSA-N 409.530 2.638 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3c(F)cccc3Cl)CC2)cc1 5399730 OGFYEUSICNXPEC-UHFFFAOYSA-N 420.868 2.922 10 40 HFCB Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3O)cc2)c1C 17021123 QYFWSBZEFADNKI-QURGRASLSA-N 403.424 2.773 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 224494665 DXYNFIMUKPOHIY-CYBMUJFWSA-N 423.564 2.772 10 40 HFCB CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2c1=O 3312909 WPKQHAQTUIOUSY-UHFFFAOYSA-N 406.486 2.778 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc2sc(=O)oc12 13635688 OSEZHGNDVGKLNT-LFYBBSHMSA-N 402.815 2.978 10 40 HFCB CCN(CC)CC(=O)NN1C(=O)/C(=C\c2ccc(N(C)C)cc2)N=C1c1ccccc1 5509423 VXKMHJYMEVOYQK-LTGZKZEYSA-N 419.529 2.756 10 40 HFCB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 408897991 KEQIFZWXVODUMF-OVCLIPMQSA-N 411.370 2.592 10 40 HFCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 4060239 ZTIBWFMJEMTBIF-AOLRSRPGSA-N 400.456 2.749 10 40 HFCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13674045 QZZDPXQWFUUHRR-UHFFFAOYSA-N 401.532 2.678 10 40 HFCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 33547146 OWZPUNLECMJRTH-GPILYODUSA-N 416.817 2.662 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409390462 FPQOTHHSEQSKDL-LFIBNONCSA-N 404.338 2.916 10 40 HFCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 1322059 ZSCFDRYDSXEGPD-HMMYKYKNSA-N 410.518 2.536 10 40 HFCB CCCCCCN1C(=O)/C(=C/Nc2ccccc2N2CCOCC2)C(=O)NC1=S 16955801 ZGNXAKPEOWTHEV-FOCLMDBBSA-N 416.547 2.643 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 4739708 DBQDDZRZDUUMKM-XSFVSMFZSA-N 405.454 2.806 10 40 HFCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc2)SC1=S 12273955 UAUKLQXNDWUPGL-WUXMJOGZSA-N 419.509 2.854 10 40 HFCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 408935682 IMQCPVQVABWIAB-AQTBWJFISA-N 408.410 2.928 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3CC)nnc2n1 4570531 WQTNVJFRWBQNHK-UHFFFAOYSA-N 400.512 2.676 10 40 HFCB CC[C@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374933 UWBNFHKZXMTDRN-HZNNPKNDSA-N 406.529 2.812 10 40 HFCB CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CN3CCN(CC)CC3)ccc12 22035479 OWNGXKCAGUZTJJ-UHFFFAOYSA-N 405.520 2.880 10 40 HFCB COc1ccc(N2CCC(O)(CN3CC[C@H]4[C@@H]3CCCCN4C(C)=O)CC2)cc1 585283848 PGNKOBCGNJOMRJ-VXKWHMMOSA-N 401.551 2.502 10 40 HFCB C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1)c1ccccc1 4330729 LVEXXZRZYXNPLF-AVRDEDQJSA-N 408.546 2.883 10 40 HFCB CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374898 WZPXEQGGDJHMSL-PRVDKKFPSA-N 406.529 2.893 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc(OC)c1O 16195054 UZRAXGRVKAVYBW-AWNIVKPZSA-N 419.231 2.633 10 40 HFCB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c(C)c1 21322560 ZZKBAILKUZDTCX-UHFFFAOYSA-N 418.515 2.553 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1 104315438 ZIJIGENUTDZKSV-OAFDPHIXSA-N 421.413 2.919 10 40 HFCB CN1CCCc2cc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)ccc21 58300455 BWURDKSICJZDBY-UHFFFAOYSA-N 421.950 2.659 10 40 HFCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)SC1=S 8821628 ZEYDOJRYGVGEBR-FARYLTDUSA-N 418.496 2.795 10 40 HFCB O=Cc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 5552990 WMGRDZXULHLXPL-XNTDXEJSSA-N 404.494 2.594 10 40 HFCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)NC1=S 5054544 DJPAWGWQVLRQBD-YBEGLDIGSA-N 412.471 2.957 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1O 408692694 SHUYMOBSJRZZCJ-KPKJPENVSA-N 423.263 2.958 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 409093969 CAOFKPKDXLFAIT-HMMYKYKNSA-N 405.454 2.752 10 40 HFCB O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4062688 LBBSTUFZLPYFGT-UHFFFAOYSA-N 407.403 2.961 10 40 HFCB COc1cc(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1O 408739931 GTNRJONDIINXKM-JYRVWZFOSA-N 417.215 2.830 10 40 HFCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 4933237 VKGIPINIHMSYFA-LDADJPATSA-N 415.515 2.954 10 40 HFCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964038 HVODRLYGKDCOGF-QFIPXVFZSA-N 422.529 2.579 10 40 HFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)C(=O)O 33728799 NJAWPCNWTSZVSN-ZEVOCZHWSA-N 416.817 2.662 10 40 HFCB CCOc1ccc(CC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 58109394 GPIIJDZCNOFNNZ-UHFFFAOYSA-N 412.486 2.528 10 40 HFCB COc1ccc(N2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)cc1 67244850 QASWQCGHFZKMJA-UHFFFAOYSA-N 416.547 2.591 10 40 HFCB CCN1CCN(Cc2c(O)ccc(C(=O)Cc3ccc(OC)c(OC)c3)c2O)CC1 22854473 QSKRCGGLLKGGBT-UHFFFAOYSA-N 414.502 2.678 10 40 HFCB biogenic O=C1C[C@H](N2C(=O)/C(=C/c3cccs3)SC2=S)C(=O)N1c1ccc(O)cc1 10386579 JSAYSZZZHCJCQH-IAOKNECISA-N 416.505 2.987 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C1=O 59679541 XCPSYOAEKUJGRT-LVLBFHFTSA-N 408.410 2.767 10 40 HFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1cccc(F)c1 408879322 DFPCFZIGCVTTLU-UHFFFAOYSA-N 404.850 2.993 10 40 HFCB COc1cccc(/C=C2\SC(=S)NC2=O)c1OS(=O)(=O)c1ccccc1 408887693 QJVMRQWCDSFOIW-UVTDQMKNSA-N 407.494 2.952 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)Cc4ccccc4)CC3)CC2)cc1 409021356 CUHBJRNCZYASSE-UHFFFAOYSA-N 421.541 2.825 10 40 HFCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCOC(C)C 17082662 QFTIXHVXLOLEKC-HKWRFOASSA-N 403.479 2.640 10 40 HFCB CN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)N(C)C1=S 59139700 URZKHWALLYXVQZ-UHFFFAOYSA-N 404.831 2.897 10 40 HFCB COC(=O)C[C@H](c1ccncc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253414377 XGWZPUCSVADZRO-QGZVFWFLSA-N 424.453 2.606 10 40 HFCB biogenic COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)ccc3OC)CC2)cc1 3555704 RUKZVPGAANDAQG-UHFFFAOYSA-N 418.877 2.863 10 40 HFCB COc1ccc(N2CCN(C[C@H](O)COCc3ccc(F)cc3)CC2)cc1OC 20459165 CTHKSRIDRZWRMC-FQEVSTJZSA-N 404.482 2.543 10 40 HFCB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670329 ZIVMYGDFJQXQHK-PMACEKPBSA-N 400.527 2.524 10 40 HFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Br 408993048 BQDCGNFDQSAPIX-LCYFTJDESA-N 402.248 2.948 10 40 HFCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S 409011560 HWDFYTBYYPDXTP-DTQAZKPQSA-N 411.483 2.510 10 40 HFCB COc1cc(C)c(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1OC 22775631 GOBCQGXMSCTEDA-UHFFFAOYSA-N 400.475 2.764 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCCC3)C2=O)cc1OC 27530654 WJEAWTJAIXXGRD-LFIBNONCSA-N 406.529 2.918 10 40 HFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 408964882 IFWZBPLVASYHBR-LDADJPATSA-N 419.368 2.981 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 409009615 GWIPFPXYFBADRX-BVTUPMQUSA-N 424.409 2.522 10 40 HFCB COc1ccc2c3c(n(Cc4nc(C)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404614 FUXOHPBVOFHPPH-UHFFFAOYSA-N 403.394 2.970 10 40 HFCB biogenic CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 13675466 SGKYQVLYLRKLJS-UHFFFAOYSA-N 419.522 2.898 10 40 HFCB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N/C(N)=S)cc1)/N=N\C(N)=S 104292203 FLTJTMPAKBGLRM-WUQGEXCESA-N 422.540 2.512 10 40 HFCB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 253401103 MMLXQYUIQKBFIG-NRFANRHFSA-N 408.546 2.882 10 40 HFCB biogenic,in-vitro COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCNC[C@H](C)O)c2cc1OC 4748026 DCHWOOYFWTUIKJ-LBPRGKRZSA-N 400.435 2.696 10 40 HFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(=O)O)c3)CC2)cc1 8345702 NXGZLMIWZJGGJJ-UHFFFAOYSA-N 410.879 2.558 10 40 HFCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1OC 10907000 MIUJKBDEDMFUPU-UHFFFAOYSA-N 400.475 2.821 10 40 HFCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 72059511 VEIPVCGULDPMQH-UHFFFAOYSA-N 403.486 2.986 10 40 HFCB Cc1c(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)oc2c(O)c(O)ccc12 9060675 HAAGONSFALRUIJ-UHFFFAOYSA-N 412.417 2.543 10 40 HFCB O=C1N=C(O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=S)Nc1ccccc1 9089737 APYXCKAPBHVSQM-ZRDIBKRKSA-N 415.862 2.502 10 40 HFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(Br)cc1 96193251 GKNPSRXTPRARTB-YBEGLDIGSA-N 420.288 2.903 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c(O)c3)SC2=S)cc1 107701940 HHLCLVLFBUYNAP-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 408815162 QMLCCHQNKZDVQC-LFIBNONCSA-N 424.409 2.547 10 40 HFCB COc1cc([C@H]2NCCc3cc(O)c(O)cc32)cc(I)c1O 19691300 YMHNWCOJIPSITM-OAHLLOKOSA-N 413.211 2.652 10 40 HFCB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409211356 NOIZAHFUQJFIGV-AQTBWJFISA-N 417.531 2.784 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 2070125 SVZRTALHXHCVMU-UHFFFAOYSA-N 413.411 2.937 10 40 HFCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22418576 RUEXBCQZZKSWOI-JOCHJYFZSA-N 411.550 2.871 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)cc1 409192221 AAZQQHODILKBDK-LVLBFHFTSA-N 408.410 2.767 10 40 HFCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 2375663 UIJKGSQGFSTCOS-WOJGMQOQSA-N 408.410 2.940 10 40 HFCB COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c([N+](=O)[O-])cc1OC 5097731 IFSKBIHRBZFVPA-GOSISDBHSA-N 416.478 2.711 10 40 HFCB COc1cc(C)cc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1O 13062180 APWVNUTWXMTDDL-UHFFFAOYSA-N 410.923 2.869 10 40 HFCB COc1cc2c(cc1OC)[N+]1(C)CC[C@@H]3OCC[C@@H]4C[N+]5(C)CC[C@]26[C@@H]5C[C@H]4[C@H]3[C@@H]61 103843078 ZVHCBDBTPYDNEZ-ZYPPFFLZSA-N 412.574 2.938 10 40 HFCB COc1ccc2c3c(n(CCN4CCCC4=O)c(=O)c2c1OC)-c1ccccc1C3=O 604404422 NAFIKGAQGTYQPQ-UHFFFAOYSA-N 418.449 2.853 10 40 HFCB biogenic CCOC(=O)c1csc(N2N=C(c3ccc(O)cc3)C[C@]2(O)C(F)(F)F)n1 4478283 SBXZRISDFLRENN-HNNXBMFYSA-N 401.366 2.891 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21 13007854 IGCJYHSHHZKRTA-QHCPKHFHSA-N 420.557 2.639 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1 33459844 GNCDLAPXJHCKBE-GDNBJRDFSA-N 414.464 2.940 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 408724386 DXFRZBPSWIBSAI-UHFFFAOYSA-N 424.453 2.566 10 40 HFCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/NN1CCCCCC1 5069577 KKKBRQBPEBLWPA-SDNWHVSQSA-N 407.268 2.501 10 40 HFCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C 100049824 SNFDYKQTKIEAFN-QBNCKDSPSA-N 420.403 2.830 10 40 HFCB C[C@@H]1CCCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1 225662180 UHBBAOXWBYJGKH-GOSISDBHSA-N 415.559 2.860 10 40 HFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 10963411 OAVGJQAKFYFGOL-UHFFFAOYSA-N 420.513 2.729 10 40 HFCB Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCN(CC(=O)NC4CC4)CC3)c2C)cc1 35269388 RLGNOBVEKOMTFH-IZZDOVSWSA-N 420.557 2.839 10 40 HFCB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)sc(C)c1C 408993797 FXKNDIUKCNIWNC-UHFFFAOYSA-N 415.471 2.699 10 40 HFCB Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 409190963 CVXFJHBUZIEZOQ-MHWRWJLKSA-N 405.435 2.708 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N(C)C)ccc21 8963912 QIGCLSMSYKAVAK-IBGZPJMESA-N 418.900 2.829 10 40 HFCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1 12363805 ZRLMZKFWWJBEPH-ZROIWOOFSA-N 403.257 2.986 10 40 HFCB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)s1 260843379 QZMIGYHCZAZAJE-ZDUSSCGKSA-N 423.564 2.601 10 40 HFCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409389947 CZPQXCPBWDFGGF-MDWZMJQESA-N 401.806 2.809 10 40 HFCB Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589394 HIJRIJAIDXUBAQ-HSZRJFAPSA-N 410.562 2.545 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409144734 PQTYNFJQCILONR-GHRIWEEISA-N 423.444 2.891 10 40 HFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 102724238 JSWRGDYKFSYJND-GHXNOFRVSA-N 408.432 2.770 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(OC)c(Cl)c3)C2=O)cc1 408530806 JPCWDPZLGXJWEW-UVTDQMKNSA-N 401.806 2.936 10 40 HFCB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2c(O)ccc4ccccc24)C3)C[C@H](C)O1 72347306 XPOUFAOWDXDYMY-HOTGVXAUSA-N 420.513 2.801 10 40 HFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 4711863 WPDNGBFAIBAUHF-QGOAFFKASA-N 401.378 2.842 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648973 IXPGFCABLFXJAC-VUUNSECVSA-N 403.840 2.998 10 40 HFCB COc1cc(OC)c([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC 35323835 QYLQSYJTOFMWEI-NRFANRHFSA-N 403.431 2.568 10 40 HFCB N=C(N)NS(=O)(=O)c1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1 4972341 MUOFBLRJLQRVDM-QURGRASLSA-N 413.415 2.831 10 40 HFCB O=C1NN[C@H](c2ccccc2O)[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 6597068 RDXXVOXVYNVJCU-FCHUYYIVSA-N 401.466 2.913 10 40 HFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 225685354 DFFTXEBYOKLZLM-UHFFFAOYSA-N 405.545 2.925 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)NC1=S 409210732 MFGANAVSXNYJLI-SXGWCWSVSA-N 403.891 2.978 10 40 HFCB CC(C)[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33544266 KKFHNFQJJWMKQL-QZFKAFNDSA-N 418.544 2.908 10 40 HFCB C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 9253289 DMQCJSQWRZRAFU-PFMRQGHBSA-N 418.452 2.912 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C/NCCN(C)C)C(=O)N(c2ccccc2)C1=S 20390833 RQNASZPTOCHSSO-OBGWFSINSA-N 408.527 2.695 10 40 HFCB COCCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 408999150 SSODLDCKXZFOCM-UVTDQMKNSA-N 410.264 2.777 10 40 HFCB Cc1cc(C=O)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3201912 NQAYLNCLTVAQDW-UHFFFAOYSA-N 417.531 2.528 10 40 HFCB N=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 575442881 AXIRIOXTFLOTGD-CYBMUJFWSA-N 403.196 2.909 10 40 HFCB CCc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 10113588 UEZYFTAUODRGBG-UHFFFAOYSA-N 415.559 2.932 10 40 HFCB Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838376 NPLLGWLQXWSTHP-XMMPIXPASA-N 423.557 2.946 10 40 HFCB CCOc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 108997358 KUOVCRKFZAITAB-YBEGLDIGSA-N 413.430 2.624 10 40 HFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2cccc(Cl)c2)c1 408873033 MAPPQZZPQSEDTI-UHFFFAOYSA-N 402.859 2.842 10 40 HFCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 409230028 AVPBSBXZEFLQSK-NTEUORMPSA-N 416.231 2.909 10 40 HFCB COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 5674214 YRYMHIGENBJSGA-YBEGLDIGSA-N 405.863 2.802 10 40 HFCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O 409229494 PXYFNGZENJNDEK-UNOMPAQXSA-N 411.433 2.764 10 40 HFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cnc(Cl)s1 1399360 WKXRBTOLGAUZIF-UHFFFAOYSA-N 421.862 2.818 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 102971384 ARKXYEDTRSOTOI-SMIQVMJNSA-N 421.413 2.919 10 40 HFCB COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1 1186822 ZIVBNCJCNHPYGQ-GDNBJRDFSA-N 400.362 2.518 10 40 HFCB O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33784293 WVYIJPZHRZRUCL-SDQBBNPISA-N 407.209 2.918 10 40 HFCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 408959728 DTJLUAQHVHJXIU-ZHZULCJRSA-N 420.469 2.827 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374352 IXPGFCABLFXJAC-CHPNCVJKSA-N 403.840 2.998 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 17089892 QNMZSAOKIKQUHQ-UHFFFAOYSA-N 414.487 2.749 10 40 HFCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1C 41166861 ONEWDEBKBGQUSC-GOSISDBHSA-N 403.548 2.804 10 40 HFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 409089415 MIRGSJCSBAXOJN-OVCLIPMQSA-N 408.501 2.590 10 40 HFCB COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NS(C)(=O)=O)CC2)cc1 4061786 QQPYIFKXZFUBPW-BEFAXECRSA-N 409.577 2.558 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)c1 4739709 MTHVJROVHPGZHD-XSFVSMFZSA-N 421.522 2.971 10 40 HFCB Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 5746145 BFVMSROYDBKOAG-UHFFFAOYSA-N 400.818 2.856 10 40 HFCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(Br)cc2F)cc1 12589963 XJJPHHOSYINMPK-UHFFFAOYSA-N 424.270 2.917 10 40 HFCB C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 15240123 VCKVUEVUZHRPNV-SMOZNVCYSA-N 416.433 2.839 10 40 HFCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1 22666052 HSQCDYPWRWHACZ-IBGZPJMESA-N 423.966 2.758 10 40 HFCB C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 33543852 BAUCSPXLDSZNCI-FFCYNSPCSA-N 418.496 2.639 10 40 HFCB COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCNC[C@@H](C)O)c2cc1OC 6491830 DCHWOOYFWTUIKJ-GFCCVEGCSA-N 400.435 2.696 10 40 HFCB Cc1c(CC(=O)NCC2(CC(=O)O)CCCCC2)c(=O)oc2c(O)c(O)ccc12 6624347 ICIMECWGOZJDHC-UHFFFAOYSA-N 403.431 2.597 10 40 HFCB biogenic COc1cccc(/C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)c1 5375987 BVCVFXXEKZIZEW-SSZFMOIBSA-N 408.545 2.781 10 40 HFCB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963903 KLXIWJVXPZNIJN-LJQANCHMSA-N 412.559 2.758 10 40 HFCB CCCOC(=O)c1ccc(NC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1 48020271 FKHZYNZMPQWGEU-UHFFFAOYSA-N 410.474 2.511 10 40 HFCB COc1ccc(N2CCCN(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 48340461 VXYNZIUJYXFFLO-JTSKRJEESA-N 400.523 2.666 10 40 HFCB O=C(NCc1ccco1)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 9630835 GMPMGGCSZJNEGW-UHFFFAOYSA-N 417.399 2.624 10 40 HFCB C[C@H](Oc1ccc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1)C(=O)O 19996512 HSNFDVHQWJDGPX-LWHXSLQUSA-N 424.365 2.774 10 40 HFCB COc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 409229671 SSBGHICLEQSMDF-LICLKQGHSA-N 420.487 2.520 10 40 HFCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 409238025 YQRVOFRFWXJSML-UNOMPAQXSA-N 411.433 2.764 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC(C)C 4672505 ZADYGTRGMFDQGB-BJMVGYQFSA-N 413.293 2.501 10 40 HFCB C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 9303108 BAUCSPXLDSZNCI-HPUUJOOBSA-N 418.496 2.639 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccccc3N3CCOCC3)C2=O)c1 408898888 NBYBVWZQCWIHNQ-RGEXLXHISA-N 405.454 2.806 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 408900779 UWTVKDIILSTSLW-XSFVSMFZSA-N 405.454 2.806 10 40 HFCB O=C(O)CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)SC1=S 409093568 AJWBMCMLAMZGEU-GXDHUFHOSA-N 407.473 2.871 10 40 HFCB CN1CCN(C(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 20226863 ALLLMIGVNBZQDQ-PCAXMVLJSA-N 415.584 2.998 10 40 HFCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2C)C(=O)NC1=S 409108329 WCLPTYOUPVDICG-UKTHLTGXSA-N 404.289 2.927 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)c1C 409190488 OMAAMRMGRYNBEU-LUYJPIOASA-N 424.478 2.987 10 40 HFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 4736921 UMMFHNNHANPHBX-STZFKDTASA-N 411.433 2.903 10 40 HFCB COc1ccc(N2CCN([C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 8344123 WMLAHDDDRWBKCV-OAQYLSRUSA-N 422.573 2.550 10 40 HFCB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2c(O)ccc4ccccc24)C3)C[C@@H](C)O1 12184662 XPOUFAOWDXDYMY-IYBDPMFKSA-N 420.513 2.801 10 40 HFCB COC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 14920719 KXPVWUCLTUPERT-UHFFFAOYSA-N 412.486 2.933 10 40 HFCB Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)OCCO2 28436618 ZMFPTDVRHNECNC-UHFFFAOYSA-N 403.442 2.838 10 40 HFCB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1ccc(O)c(O)c1 33542666 VRLWSWHSHMBPKX-WJDWOHSUSA-N 418.496 2.945 10 40 HFCB CC[C@H](C)N1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C(=O)N=C1S 6555294 IMXFDEVFVAWBFL-IEMQHYRPSA-N 412.515 2.683 10 40 HFCB CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33768011 VZZZGKZUCCGNOD-JPVKTXQWSA-N 423.469 2.544 10 40 HFCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)ccc21 409188926 KQGRQPZHWIKBPB-VLURKWGBSA-N 403.394 2.953 10 40 HFCB CCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 4318550 LRYPZDPHGVVQCM-OWBHPGMISA-N 400.529 2.906 10 40 HFCB C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 13574495 RPKPCZUDZKOHDP-ZJTXEKFPSA-N 418.452 2.912 10 40 HFCB CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 18250519 RXGDITPRHCBJDM-OAQYLSRUSA-N 409.486 2.548 10 40 HFCB C[C@@H](NC(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1 19659855 XNVWIDLLZLPWLH-CQSZACIVSA-N 415.877 2.962 10 40 HFCB C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC(N)=O)c3ccccc32)SC1=S 27024796 XURZQFMXCXXQDQ-NUMWXTGKSA-N 423.519 2.851 10 40 HFCB CN1C(=O)/C(=C/c2ccc(C(=O)N[C@H](CO)Cc3ccccc3)cc2)SC1=S 33542295 JONDUBLPOXTKQC-KMTKGMGQSA-N 412.536 2.851 10 40 HFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)ccc1O 13687145 MBRBCOYLYGSXNW-NVNXTCNLSA-N 402.453 2.653 10 40 HFCB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(N2CCOCC2)cc1)CC3 96792796 VZWVGNYJLLDPIS-SSZFMOIBSA-N 403.438 2.876 10 40 HFCB COCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=O 409017875 GHKRZSGNCBCLKV-LGMDPLHJSA-N 410.426 2.729 10 40 HFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 58854869 LVNLOTMFEMAUTL-RCCKNPSSSA-N 405.454 2.730 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 5427295 FVKSMGCGVGWZEW-LTAXBSGQSA-N 401.513 2.949 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 33589156 QSKUWLRFJPOFNP-NTUHNPAUSA-N 404.425 2.523 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)NC1=S 409108705 YTVXFBLFEUUHSB-NBVRZTHBSA-N 407.495 2.663 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c(OC)c1 1301872 LEWQKLHGFGGMQK-SXGWCWSVSA-N 416.480 2.956 10 40 HFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 8798836 OWKZSFRVVAHGCP-NRFANRHFSA-N 417.575 2.967 10 40 HFCB C[C@H]1CCCN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 12536128 UOOOUAOFUYLQGM-ZDUSSCGKSA-N 419.459 2.973 10 40 HFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 408912284 DXMPSXVLZHHGQK-WUXMJOGZSA-N 405.179 2.960 10 40 HFCB N=C1Nc2nc3ccccc3n2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 575442880 ATTKTGXSSXNTJR-ZDUSSCGKSA-N 403.196 2.909 10 40 HFCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 41077718 GJOANQGEISFJGT-LITBSJMGSA-N 400.441 2.568 10 40 HFCB Cc1c(NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 97949685 PKRVMTSKRMYHFB-LSDHQDQOSA-N 414.491 2.846 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 225770416 CQBYTHJSLAPLJO-UHFFFAOYSA-N 403.548 2.778 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OC)c3O)C2=O)cc1 1201969 XWVBMDOEXWSBCP-RIYZIHGNSA-N 402.790 2.729 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S 9263217 QODBGRYTNYPGEG-YBEGLDIGSA-N 419.462 2.866 10 40 HFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)OC(C)C)cc2)C1=O 409187075 LPSIGNWOYZFUFF-LDADJPATSA-N 422.437 2.992 10 40 HFCB C/C(NCCN1CCOCC1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 19943943 BXEHZVUXJKYRLP-FXBPSFAMSA-N 408.477 2.772 10 40 HFCB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 408601777 HFKZYTMWQWROKA-CQSZACIVSA-N 420.487 2.756 10 40 HFCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408777773 IJYPIVRVQFTDGN-NDENLUEZSA-N 420.465 2.732 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C 408842724 AVQFBAVDKKQVFE-NSIKDUERSA-N 409.354 2.607 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 9262720 OZQWBLYMDZHVTN-VZUCSPMQSA-N 415.745 2.643 10 40 HFCB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670479 PQACPFBLDFRJOQ-NHCUHLMSSA-N 414.554 2.914 10 40 HFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408529013 GTIVUAOSJFRJCR-KAMYIIQDSA-N 406.402 2.504 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](CC(C)C)C(=O)O)C2=O)cc1 5374924 VLZULECTERFDIX-AHSSXEFNSA-N 406.529 2.812 10 40 HFCB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1 15590272 LSBDCXKGNBWZKL-UHFFFAOYSA-N 415.490 2.853 10 40 HFCB COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 35597254 LCRUJDYGEYGYQA-HSZRJFAPSA-N 423.561 2.798 10 40 HFCB COc1ccc(N2CCCN(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 48340466 VXYNZIUJYXFFLO-HTAPYJJXSA-N 400.523 2.666 10 40 HFCB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 408601776 HFKZYTMWQWROKA-AWEZNQCLSA-N 420.487 2.756 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 5348669 QSKUWLRFJPOFNP-QPEQYQDCSA-N 404.425 2.523 10 40 HFCB COc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccccc3Cl)CC2)cc1 11900627 RGTQLLZQNQUDGN-UHFFFAOYSA-N 423.966 2.590 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 13008049 HNSQEOKSGHZIFO-JOCHJYFZSA-N 406.530 2.961 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)O)cc2)C1=O 59679539 XCPSYOAEKUJGRT-VLURKWGBSA-N 408.410 2.767 10 40 HFCB O=C1/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC(=S)N1C1CCCC1 100788629 ZTSUMHXBMLBMSL-RAKLLCQZSA-N 401.557 2.912 10 40 HFCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 4330594 NAOPOFICMUBQIH-HXUWFJFHSA-N 410.518 2.653 10 40 HFCB CCCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374923 HDAYOYHKJIEBOJ-MFYHJKBNSA-N 406.529 2.956 10 40 HFCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 7990510 HBDYQLQWGNENGQ-FQEVSTJZSA-N 416.543 2.978 10 40 HFCB CN1C(=O)/C(=C/c2ccc(C(=O)N[C@@H](CO)Cc3ccccc3)cc2)SC1=S 9253564 JONDUBLPOXTKQC-ZCWPUFOUSA-N 412.536 2.851 10 40 HFCB CCCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 56997520 DQXOKFUCYKDISK-UHFFFAOYSA-N 417.575 2.748 10 40 HFCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 15219254 JQTMDWPNVWTLSI-BOPFTXTBSA-N 404.879 2.967 10 40 HFCB COc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc(OC)c1OC 35167917 RCLYNVAZYRQWKU-ORZMYDSCSA-N 412.427 2.973 10 40 HFCB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)c2ccccc21 8821625 PSDUGQCADSLGSD-YCPJBFQXSA-N 418.496 2.650 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 13116972 UALGUADFWMKDIV-QZTJIDSGSA-N 420.465 2.999 10 40 HFCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 4703681 ZNJDPHZUBMMLDE-XFFZJAGNSA-N 406.148 2.617 10 40 HFCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 83310180 DJIBUQXPEOGXAH-MDWZMJQESA-N 418.247 2.770 10 40 HFCB COc1ccc(CCN2C(=O)N=C(O)/C(=C/Nc3ccccc3N)C2=O)cc1OC 103126263 NPHNKGAKVGXDID-OWBHPGMISA-N 410.430 2.743 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409214476 XXOBVXQDLXLFKN-LFYBBSHMSA-N 417.761 2.629 10 40 HFCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@@H]2C1 4027946 MPDJTMAICNXNSF-ORFVZHATSA-N 406.525 2.690 10 40 HFCB biogenic Nc1c(C(=O)OCC(=O)Nc2ccccc2F)ccc2c1C(=O)c1ccccc1C2=O 9636217 YMNKTNSFSVRSNA-UHFFFAOYSA-N 418.380 2.979 10 40 HFCB CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)C(=O)O 16805934 OQDPXTKVIZISHN-BVTDAEAYSA-N 404.513 2.669 10 40 HFCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22665950 YQNLQCOGARQAPK-JOCHJYFZSA-N 417.575 2.667 10 40 HFCB COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(F)ccc2S1(=O)=O 64979192 UIBNQOGQMKCGDV-UHFFFAOYSA-N 423.418 2.791 10 40 HFCB COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4030197 DPKIQNRSUDLYPY-LJQANCHMSA-N 402.516 2.591 10 40 HFCB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1cccc(OC)c1O 9421836 WJNPYKJEBJMWBX-QGZVFWFLSA-N 417.487 2.860 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N(C)C)ccc21 13008627 ILXMLBLPWBOPIJ-HXUWFJFHSA-N 416.472 2.705 10 40 HFCB O=C(C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCOCC1 48988547 FSXJDNKRMNPCRV-UHFFFAOYSA-N 404.875 2.966 10 40 HFCB CCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1OC 6964034 NSKAXAFHTOJLLL-FDIDWWNZSA-N 401.459 2.946 10 40 HFCB Cn1c(=O)/c(=C/c2ccc(N3CCCCC3)cc2)s/c1=C\C(=O)c1cccs1 96766007 DRAVCGNVLULKBY-SIBCGJTDSA-N 410.564 2.991 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 5879168 CCVWYJVJYSACQP-OQLLNIDSSA-N 400.431 2.670 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCC3)ccc21 9135520 VSJJYBHHAKFUOG-QFIPXVFZSA-N 412.578 2.771 10 40 HFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3nnc(-c4ccccc4)s3)C2=O)c1 408529667 HONDARXRDHXEEC-RVDMUPIBSA-N 419.466 3.401 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCC 408911948 PCMYAJBMIWPWOC-UXBLZVDNSA-N 413.293 2.503 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 6384147 YYAUCSWAZWPKGA-UHFFFAOYSA-N 407.470 2.611 10 40 HFCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9315357 RLNVAOFYTOZCGV-JOCHJYFZSA-N 409.442 2.726 10 40 HFCB COc1cc(Br)c(Br)c(/C=C2/C(=O)NC(=O)N=C2O)c1O 6904335 XGIGZCQQUBKGIY-UHFFFAOYSA-N 420.013 2.516 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 8753560 HQUNIJBHYOSBRC-NTUHNPAUSA-N 420.493 2.992 10 40 HFCB COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(OC)c1O 32109741 ICYLMWQHYVXUQC-QPEQYQDCSA-N 419.231 2.633 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 408988569 RHEYWLPASZDIGT-VGOFMYFVSA-N 409.354 2.552 10 40 HFCB Cc1nc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1 16134985 PCBDOVMGOOIZHA-UHFFFAOYSA-N 409.465 2.824 10 40 HFCB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc1 27530558 LCCJLMVSQAVMDC-UKTHLTGXSA-N 407.542 2.506 10 40 HFCB COC(=O)c1ccc(N2CCN(c3ccc(OC)cc3OC)CC2)c([N+](=O)[O-])c1 4054075 CVMVHGYVEIYDJZ-UHFFFAOYSA-N 401.419 2.725 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S 8991074 AAMPLAGIHYSXSU-OZYJXZHSSA-N 402.453 2.754 10 40 HFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/N[C@@H](C)c3ccccc3)C2=O)cc1OC 20291303 IKEIJVHFXZTZRT-LSVCFVEQSA-N 423.469 2.559 10 40 HFCB CN([C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 224292166 WIHHNEBIHLIPPY-OAQYLSRUSA-N 415.559 2.926 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1 8970991 IYYNZPXXJZTZMD-KMTKGMGQSA-N 412.536 2.608 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)C(=O)N1 408991724 OZJWMHXXTIVFKU-UHFFFAOYSA-N 416.396 2.698 10 40 HFCB CNC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 223281073 MYRIWMCNZWZMGR-UHFFFAOYSA-N 403.485 2.736 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCCC2)N2CCCC2)cc1 5340876 WNUNEUPWZIQRBU-OAQYLSRUSA-N 400.567 2.845 10 40 HFCB COc1ccc2c(c1)c(/C=C1\SC(=S)N(N3CCOCC3)C1=O)c(C)n2C 9423204 ARHKVIWVXLCHTD-BOPFTXTBSA-N 403.529 2.944 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 5552697 SBJHTEVHNPUYFL-GZTJUZNOSA-N 405.410 2.682 10 40 HFCB CN(C)c1ccc(/C=C2\N=C(c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)OC2=O)cc1 8432858 KZNFELIAQHXLOR-AQTBWJFISA-N 422.441 2.842 10 40 HFCB CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(C[C@@H]2CCCO2)C1=O 9025051 UREXJWUWWUOUPI-SWLSCSKDSA-N 422.528 2.600 10 40 HFCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 9429475 UWEHOSHEQISBBG-DFSFMLJYSA-N 408.520 2.790 10 40 HFCB C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13675562 NBGAKAPNWDHYBZ-MRXNPFEDSA-N 419.522 2.897 10 40 HFCB COCc1c(O)cc(C)c(C(=O)OC)c1Oc1c(C)c2c(c(O)c1O)C(=O)OC2 31163398 PDYOVCZPTAOFNW-UHFFFAOYSA-N 404.371 2.816 10 40 HFCB biogenic,in-vitro Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)c1 409188827 AWNTYFADBYMUFU-MPMPPSQCSA-N 424.478 2.987 10 40 HFCB Nc1c(S(=O)(=O)O)cc(Nc2cccc(CO)c2)c2c1C(=O)c1ccccc1C2=O 4824625 UDDQNNULYINZJP-UHFFFAOYSA-N 424.434 2.527 10 40 HFCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NS(C)(=O)=O)CC2)cc1 4061787 QQPYIFKXZFUBPW-HNAYVOBHSA-N 409.577 2.558 10 40 HFCB CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33768013 VZZZGKZUCCGNOD-CCNLRRDASA-N 423.469 2.544 10 40 HFCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 41083888 OCFMSGJRDBKBJN-DDRPPYOZSA-N 414.468 2.958 10 40 HFCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OC 41084256 FRGNZTFLSYAUTP-FYZBCYFQSA-N 423.454 2.775 10 40 HFCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O 408903150 QAQSOKBESDHHQH-RIYZIHGNSA-N 415.333 2.505 10 40 HFCB CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4084179 WLUHRDKRTOOHIR-UHFFFAOYSA-N 421.430 2.985 10 40 HFCB CN1CCCc2cc(/C=C3/SC(=S)N(CCCN4CCOCC4)C3=O)ccc21 13728742 JRTMSHPNRSFKON-XDJHFCHBSA-N 417.600 2.993 10 40 HFCB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc2c(c1)OCCO2)CO3 9304707 DGXOWLFNMUSYAZ-UHFFFAOYSA-N 423.421 2.945 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 13895253 JQGUSWVVXRMHND-UKTHLTGXSA-N 417.215 2.830 10 40 HFCB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NCc2ccc3c(c2)OCO3)C1=O 103228857 TZZITLDHICFNEX-KAMYIIQDSA-N 409.398 2.911 10 40 HFCB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCO)cc1 4736937 BUTFNRFUACZHEF-AQTBWJFISA-N 408.483 2.912 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)CCOc3ccc(C)cc3)CC2)cc1 5987142 BOQGNNANSFIYRJ-UHFFFAOYSA-N 412.486 2.665 10 40 HFCB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C 12609445 PIVRFSLXYDDNPA-UHFFFAOYSA-N 419.503 2.869 10 40 HFCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 108099543 ICSQFQYMXOEFNM-PDGQHHTCSA-N 424.453 2.877 10 40 HFCB COc1ccc(N2CCC(O)(CN3CC[C@]4(C)NC(=O)CCCC[C@H]34)CC2)cc1 585282984 LIFIXSDLEMVMRU-UNMCSNQZSA-N 401.551 2.550 10 40 HFCB COc1ccc(N2CCN([C@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)cc1 36359014 KVTUBALDTLRWCK-QFIPXVFZSA-N 423.469 2.682 10 40 HFCB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCC(N)=O)c(OC)c2)SC1=S 98002423 SMHAUHCEFPLGKN-GHXNOFRVSA-N 400.909 2.824 10 40 HFCB Cc1noc(NS(=O)(=O)c2ccc(/N=N/[C@@H]3SC(=S)NC3=O)cc2)c1C 104123424 MUOBPHAKYOZZBA-PHODEOQFSA-N 411.490 2.650 10 40 HFCB CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S 409125902 GDJQWSZPJUZAOJ-KDVQLTRESA-N 415.540 2.768 10 40 HFCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 409236400 FUNWIBBPJYTHDJ-FOWTUZBSSA-N 411.483 2.564 10 40 HFCB O=C(CNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 4474735 ZIKBQBCBOLMQQO-UHFFFAOYSA-N 405.431 2.623 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 4608608 JHCNUZIPVVBKRA-KAMYIIQDSA-N 400.547 2.622 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)c3ccccc3OC(F)F)nnc2n1 9404786 ROFWOIZRDWMMLL-UHFFFAOYSA-N 423.449 2.959 10 40 HFCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 19997760 OQBKHTZJEGVTFS-HMMYKYKNSA-N 420.538 2.572 10 40 HFCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c(O)[nH]c(=O)[nH]c1=O 100947789 CSOKROTVCNGJPA-DAXSKMNVSA-N 415.620 2.535 10 40 HFCB NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409327572 KWNMGCDSULLKJU-NVNXTCNLSA-N 415.452 2.865 10 40 HFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4471599 OKROLDLJZMWPIE-QPEQYQDCSA-N 415.199 2.844 10 40 HFCB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2c(O)ccc4ccccc24)C3)C[C@@H](C)O1 12184658 XPOUFAOWDXDYMY-HZPDHXFCSA-N 420.513 2.801 10 40 HFCB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 60257790 DHRRDDLXFFPRMV-MJWGMMHASA-N 406.376 2.522 10 40 HFCB in-vitro COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccncc3)CC2)cc1 72342401 KTFLWZZKDXJUDW-UHFFFAOYSA-N 424.545 2.534 10 40 HFCB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 6317825 WCOINJXJLPEYKS-OAQYLSRUSA-N 422.485 2.798 10 40 HFCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 17112760 ZAMIMLJGVUASHV-VIFPVBQESA-N 421.544 2.512 10 40 HFCB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 31677208 CTBOFZHGRZKMNF-UHFFFAOYSA-N 410.385 2.697 10 40 HFCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 4999620 SLFIKTVAQQBVMY-HKWRFOASSA-N 412.515 2.901 10 40 HFCB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964185 OQGFHOVQCDNOCI-QFIPXVFZSA-N 406.530 2.879 10 40 HFCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 14099577 UVYHRIYHSBDVKM-UHFFFAOYSA-N 401.532 2.872 10 40 HFCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N2CCN(C)CC2)C1=O 27530475 DWIBCILMTUOJPL-KDOCSACZSA-N 401.557 2.608 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 223120343 CBBIXCPUUQSSCP-OLZOCXBDSA-N 423.564 2.772 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 409104037 IFXHINWDMCFNTO-HMMYKYKNSA-N 421.522 2.917 10 40 HFCB CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Br)c1O 1871985 ULIUQPJDDJQATC-UKTHLTGXSA-N 413.293 2.856 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)c1 409190472 OETNHJMXVKTQHC-KWWJGWKXSA-N 410.451 2.678 10 40 HFCB C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9302903 ARKDICXRIRCYMI-DCFZTUSPSA-N 416.524 2.589 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 12273948 ZFRTXQDLIHHPAF-QAZRXNLGSA-N 420.262 2.561 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 224720193 UOTRUGSLWMEUAD-UHFFFAOYSA-N 419.547 2.624 10 40 HFCB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 225656014 WDSONKGPDGXRJV-UHFFFAOYSA-N 409.939 2.579 10 40 HFCB COC(=O)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Br 409345800 MAUAVLRSDNDPSM-WDZFZDKYSA-N 402.291 2.832 10 40 HFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@@H]43)sc2n1 50781081 QORHEZBPORESSQ-KBPBESRZSA-N 403.504 2.822 10 40 HFCB COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4030198 DPKIQNRSUDLYPY-IBGZPJMESA-N 402.516 2.591 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(N2CCCC2=O)cc1 8163009 JZETYKZKHIPBLG-UHFFFAOYSA-N 407.514 2.851 10 40 HFCB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCCN3CCOCC3)c(O)ccc12 20589081 QJPGTUQMKNLPRB-UHFFFAOYSA-N 408.498 2.820 10 40 HFCB COc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408528936 GKKVKVIANDSXQK-GZTJUZNOSA-N 408.414 2.600 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(OC)cc3F)nnc2n1 1095673 BHKNBARFWMORBQ-UHFFFAOYSA-N 405.459 2.506 10 40 HFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(O)c1 16678426 AJYCDYJAHAGTOS-FOWTUZBSSA-N 409.442 2.913 10 40 HFCB COc1cc(N2CCOCC2)c(OC)cc1CN1CC[C@](O)(c2ccc(C)cc2)C1 19715741 PMFUYUSHNXUZLR-XMMPIXPASA-N 412.530 2.942 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c(OC)c1 13803932 MPSJRFWGQGGMGC-DHDCSXOGSA-N 401.469 2.645 10 40 HFCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838252 NWVCLRYXTXQRLD-HSZRJFAPSA-N 409.530 2.881 10 40 HFCB COc1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)-c2ccccc2C3=O)cc1OC 17028406 ROBKLHXTNJWHSO-UHFFFAOYSA-N 400.394 2.796 10 40 HFCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc2c(c1)OCO2 15228671 VGSDSGOVBXPWOP-OMCISZLKSA-N 414.395 2.502 10 40 HFCB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)cc2)CC3)C[C@@H](C)O1 72347286 OKZHUIUIGIUKAK-HDICACEKSA-N 423.561 2.954 10 40 HFCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13562182 CRUHVJLVWXDCNF-HBZGRHIISA-N 418.359 2.837 10 40 HFCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409210247 FSNDRNVJQFEVQQ-RFRKOGIWSA-N 404.488 2.901 10 40 HFCB C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)C1 1474218 VBWCWQPLQFOLCP-XTCQQWIJSA-N 400.529 2.762 10 40 HFCB Cc1cc(C(=O)COC(=O)CN2CCSC2=O)c(C)n1-c1ccc2c(c1)OCO2 7190371 ABFLZFXLPGBBGS-UHFFFAOYSA-N 416.455 2.718 10 40 HFCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589387 HIJRIJAIDXUBAQ-QHCPKHFHSA-N 410.562 2.545 10 40 HFCB COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 35597259 UOQCBZWADGJFKU-QFIPXVFZSA-N 423.561 2.798 10 40 HFCB O=C1C[C@@H](N2C(=O)/C(=C/c3cccs3)SC2=S)C(=O)N1c1ccc(O)cc1 101113368 JSAYSZZZHCJCQH-HRYODUOUSA-N 416.505 2.987 10 40 HFCB Cc1c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)oc2c(O)c(O)ccc12 6660736 BQRGLDZRDVDONC-UHFFFAOYSA-N 412.417 2.543 10 40 HFCB CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cs1 16406237 RYKVFFDXVIWMKK-UHFFFAOYSA-N 412.471 2.878 10 40 HFCB C[C@H]1CN(CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@@H](C)O1 26529601 AQSUKKFGJDVHGR-CALCHBBNSA-N 402.564 2.795 10 40 HFCB COc1cccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)c1OC 31768820 DKDRUFBSDIDDQY-DTQAZKPQSA-N 408.545 2.627 10 40 HFCB C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C/c2ccco2)SC1=S 33543851 BAUCSPXLDSZNCI-OKHBPPCESA-N 418.496 2.639 10 40 HFCB CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)ccc1Cl 4644283 JCCZOXWOOVGGRI-UHFFFAOYSA-N 404.831 2.691 10 40 HFCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13645149 CWNFOYBAHBGDQX-HBZGRHIISA-N 418.359 2.837 10 40 HFCB COc1cc(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)cc(OC)c1OC 41074362 DNGXCCMZFAQDGL-DBXDWNGZSA-N 423.454 2.775 10 40 HFCB Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)ccc1Br 408998205 UASGYLDJIJYCAZ-UHFFFAOYSA-N 402.248 2.914 10 40 HFCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 29747705 UPDKHKBGAGMXEM-QGOAFFKASA-N 423.385 2.579 10 40 HFCB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 28046519 HWXDTOFAQZRTFI-UHFFFAOYSA-N 401.532 2.532 10 40 HFCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330493 CMTSXJMGOXKHTO-NRFANRHFSA-N 410.518 2.653 10 40 HFCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N(C)C)ccc21 8798872 TYBZDNVVSNHVDL-IBGZPJMESA-N 409.502 2.928 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3ccc4c(NC(C)=O)cccc43)CC2)cc1 96116589 WMFDOMPJKTZQKT-UHFFFAOYSA-N 406.486 2.957 10 40 HFCB CCN(CC)c1ccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225581780 NXWPYAOWMFVBMX-UHFFFAOYSA-N 419.547 2.624 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 408805959 DASNXCKTPMQMQT-OQLLNIDSSA-N 411.370 2.669 10 40 HFCB C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCOCC2)cc1 19661773 SSGSDMSGKQJDAF-KRWDZBQOSA-N 406.486 2.501 10 40 HFCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 28257028 ASJGLBLJUJNSMV-UHFFFAOYSA-N 419.868 2.729 10 40 HFCB CCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)NC1=S 100274686 LTWSDCIOJGBPLK-UITAMQMPSA-N 406.099 2.995 10 40 HFCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 5341037 DFHIRJDRNGXLOK-NRFANRHFSA-N 410.518 2.653 10 40 HFCB NC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 12568690 HYRGWFDDDPBHDW-GETRLJIKSA-N 405.458 2.931 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S)c1cccc(O)c1 13692480 YJQXFPJMFRMFKV-GDNBJRDFSA-N 408.464 2.882 10 40 HFCB COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCOCC3)cc1)CCCC2 222700449 UYTIFJMMASLLLM-UHFFFAOYSA-N 416.543 2.889 10 40 HFCB CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 5485901 OWVMEBXLNSELIC-IBGZPJMESA-N 416.543 2.981 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O 8995875 KBSAJKJWCIAYFW-ZROIWOOFSA-N 418.452 2.913 10 40 HFCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(C)=O)N2c4ccc(OC)cc4C=C[C@H]32)cc1 13549790 BMVXYLWZOGBKRZ-CZYKHXBRSA-N 418.449 2.683 10 40 HFCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccco1 9296617 OEVSYBVLOAMVAM-RIYZIHGNSA-N 419.436 2.793 10 40 HFCB COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 31829087 YQJFOUSSQAUVOY-XMHGGMMESA-N 408.414 2.679 10 40 HFCB Cc1ccc(/C=C2\SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 33933096 YSGSLRWJAWWOPB-UVTDQMKNSA-N 415.521 2.850 10 40 HFCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)cc1 41251815 BVBQENJHMGWHLP-UHFFFAOYSA-N 418.497 2.658 10 40 HFCB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 9263231 JVPJDUBEOUOBOK-UHFFFAOYSA-N 423.494 2.611 10 40 HFCB O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1CCCN1CCOCC1 13735412 VCDJJYGZSZCKIL-GHRIWEEISA-N 400.529 2.553 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)cc1 6784050 JDPBEEKDESJNQW-PDGQHHTCSA-N 408.414 2.623 10 40 HFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S 409391777 LGUCPWFBQWGDMI-CXUHLZMHSA-N 412.471 2.957 10 40 HFCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408809365 RMGOBIZOWHNGDE-GZTJUZNOSA-N 424.409 2.547 10 40 HFCB COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c([N+](=O)[O-])cc1OC 5097732 IFSKBIHRBZFVPA-SFHVURJKSA-N 416.478 2.711 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224512106 DWNVXVYXWSZFBI-UHFFFAOYSA-N 401.532 2.955 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC 408537797 XIIMAQDFMLVBEX-HXVPPAKNSA-N 412.442 2.661 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)cc1 409192224 AAZQQHODILKBDK-VLURKWGBSA-N 408.410 2.767 10 40 HFCB COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)c2c1 8991925 IGRNJDQSJVGFTQ-LNYFCXHSSA-N 420.468 2.696 10 40 HFCB CC1=C2[C@H](CCS2(=O)=O)[C@]2([S@@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@H]2C1 12659277 MPDJTMAICNXNSF-ZUOFEVOVSA-N 406.525 2.690 10 40 HFCB biogenic CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 13123332 RJLFMNCWMGVXQF-ZCWPUFOUSA-N 402.410 2.543 10 40 HFCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 409057093 OXQRDZWLJGRASK-NTUHNPAUSA-N 418.764 2.609 10 40 HFCB CC[C@@H](C)[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374930 UWBNFHKZXMTDRN-SYLKQSLASA-N 406.529 2.812 10 40 HFCB CN(CCO)c1ccc(CN2CCc3c(nc4cc(C(C)(C)C)nn4c3O)C2)cc1 12089505 OCAHSVAUYQMGBJ-UHFFFAOYSA-N 409.534 2.719 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccccc3Cl)CC2)cc1 23474165 JENINIASEYSQKS-UHFFFAOYSA-N 402.878 2.783 10 40 HFCB CN1CCN(c2ccc(CNC(=O)COc3ccc(Br)cc3)cc2)CC1 216950317 BZTMTPBZVGOKJH-UHFFFAOYSA-N 418.335 2.896 10 40 HFCB CCOC(=O)c1csc(N2N=C(c3ccc(O)cc3)C[C@@]2(O)C(F)(F)F)n1 4478282 SBXZRISDFLRENN-OAHLLOKOSA-N 401.366 2.891 10 40 HFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1nn(-c2ccccc2)c(=O)c2ccccc12 15558854 GBMWLCFYSBVWRB-UHFFFAOYSA-N 416.393 2.930 10 40 HFCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 59139654 APKGMMVHAOBXLW-UHFFFAOYSA-N 411.483 2.699 10 40 HFCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(c3ccccc3)CC2)C(=O)N1 59488642 NSQYUCJVRUAFNR-UHFFFAOYSA-N 420.425 2.728 10 40 HFCB CN1C(=O)C(=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N(C)C1=S 408905156 UMEKSVORMFNYKR-UHFFFAOYSA-N 411.439 2.773 10 40 HFCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1O 4743341 GBIKOYXLYPKCOJ-LCYFTJDESA-N 403.257 2.986 10 40 HFCB COc1cc2nc3cc([N+](=O)[O-])ccc3c(NCCCNCCO)c2cc1OC 4748028 LTXXPFOSDRUEFC-UHFFFAOYSA-N 400.435 2.697 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21 8964132 GTOPPTKPSZJHLZ-QFIPXVFZSA-N 412.578 2.771 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccco4)n3C)CC2)cc1 919739 QLDBHZKBTXGXOT-UHFFFAOYSA-N 413.503 2.525 10 40 HFCB CN(C)c1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 1300999 HFRLWCGGDTXLPU-FOWTUZBSSA-N 419.553 2.847 10 40 HFCB CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 5128587 JQEUWLXXLUAKPI-UHFFFAOYSA-N 409.442 2.705 10 40 HFCB Cc1cc(C(=O)COC(=O)C2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6640246 XIPIVPUNIUKXAC-UHFFFAOYSA-N 404.488 2.658 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)c1 8819199 ALMJOIMYHVRADR-KAMYIIQDSA-N 421.569 2.896 10 40 HFCB O=C(CCN1C(=O)S/C(=C/c2cccs2)C1=O)NCCc1ccc(O)c(O)c1 9253830 VRLWSWHSHMBPKX-LFIBNONCSA-N 418.496 2.945 10 40 HFCB C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 43730161 ARKDICXRIRCYMI-GWMPIMTBSA-N 416.524 2.589 10 40 HFCB Cc1c(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc([N+](=O)[O-])c1C 408528389 FWZXALDSLBGPHZ-FOWTUZBSSA-N 408.414 2.829 10 40 HFCB O=C1N/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409207710 YAOZTXHKDSDUSC-ATVHPVEESA-N 408.414 2.524 10 40 HFCB Cc1cccc(C(=O)O)c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 9028814 OEECYTHEDGVRHT-AWEZNQCLSA-N 408.410 2.721 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)N(CC)C3CCCCC3)nnc2n1 3299001 ICKBTVXUBRCGBI-UHFFFAOYSA-N 406.560 2.656 10 40 HFCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8964006 ZSMBASLHKQMUEW-HXUWFJFHSA-N 414.937 2.998 10 40 HFCB COc1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 59292778 HGGGCQJRGWXNOI-GFJWLWTISA-N 408.435 2.781 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=S)Nc3ccc(C)cc3C)C2=O)cc1 408530992 JZCRVNYWOMDJQN-WJDWOHSUSA-N 424.482 2.765 10 40 HFCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)cc1 409136779 VJGDFKHWGJQZMO-ZHZULCJRSA-N 410.543 2.960 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)cc1 3193015 DIWKWSXRTYSKDG-GHXNOFRVSA-N 406.514 2.695 10 40 HFCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NN1CCOCC1 5376047 ZRWVXGXZNHTLBA-ICFOKQHNSA-N 419.572 2.812 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 225139160 UWVYPCNEXVKZGW-UHFFFAOYSA-N 407.511 2.754 10 40 HFCB CN(c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1)S(C)(=O)=O 225559984 FVQBGPOTQKPYRX-UHFFFAOYSA-N 418.588 2.822 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N(C)C)cc1 4330440 DEWJYTXVLOEOOO-GOSISDBHSA-N 406.889 2.903 10 40 HFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 29747703 QAUOOBCNHYUQTM-QGOAFFKASA-N 423.385 2.579 10 40 HFCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)O 409190749 QLNIVCSIJXJJDZ-KBVGCWLLSA-N 414.801 2.858 10 40 HFCB COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 726019 UUAPKQDNABVPNH-XNTDXEJSSA-N 420.206 2.761 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O 5024358 NXZGQJZWBGAZFT-GHXNOFRVSA-N 402.790 2.729 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409394102 VQZXZVKYURLNRE-UKTHLTGXSA-N 416.231 2.909 10 40 HFCB CCOC(=O)C1=C(COC(=O)c2cc(C)n(-c3ccccc3)c2C)NC(=O)N[C@H]1C 5622906 XHVPPDUUVWMPFQ-AWEZNQCLSA-N 411.458 2.769 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 102434191 UALGUADFWMKDIV-HDICACEKSA-N 420.465 2.999 10 40 HFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 409373982 XJDNQUPEQCFDHA-MHWRWJLKSA-N 406.350 2.900 10 40 HFCB O=C(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1 866368 LGIONAJEZPTRAC-VFXJDIRKSA-N 400.460 2.536 10 40 HFCB C[C@H]1C[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 15188034 OSLHCEMJDUDVQZ-OLZOCXBDSA-N 400.435 2.653 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cn2cncn2)cc1 32889762 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10 40 HFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3Br)cc2)C(=O)N1 408889223 BMXQGGFPDOLJPE-UHFFFAOYSA-N 401.216 2.778 10 40 HFCB COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409395355 MQHMNQNOVJGFBG-QGOAFFKASA-N 406.442 2.747 10 40 HFCB O=C(CCCNC(=O)c1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 47293637 JDORFASYTXAKGI-UHFFFAOYSA-N 413.493 2.613 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Br)cc1 408892162 BNPCGDFXCKOQBQ-UHFFFAOYSA-N 417.284 2.942 10 40 HFCB CCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 409083478 ATOYOARHKUAXPZ-OQLLNIDSSA-N 418.496 2.880 10 40 HFCB COc1cc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc(OC)c1OC 5046887 RTBGWUFZRLDWDT-UHFFFAOYSA-N 414.443 2.740 10 40 HFCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5098988 NAILFXZFIAVITI-FQEVSTJZSA-N 418.519 2.776 10 40 HFCB O=c1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)nc2sccn12 22772627 SJARLDJYLJANLX-UHFFFAOYSA-N 406.511 2.933 10 40 HFCB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 24207007 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COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)OCO2 409105938 PLVFJKAGSIUAJQ-MLPAPPSSSA-N 416.842 2.909 10 40 HFCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 409217612 QTIYBMRFICUHDA-QGOAFFKASA-N 406.398 2.861 10 40 HFCB COc1ccc(SCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC 44903572 WLGRQOWHOLGWAK-UHFFFAOYSA-N 402.516 2.949 10 40 HFCB CN(C)c1oc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br 408850294 KMHPTVCBGFQDLH-KPKJPENVSA-N 422.210 2.914 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1Cc1ccccc1Br 408866889 IZXXXEAGDRNFHA-UHFFFAOYSA-N 401.285 2.954 10 40 HFCB COC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 409090706 NVOBWZCIJJDVLJ-WPBJZHHJSA-N 423.512 2.627 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)c1C 409193647 KGUAVLXMNLOKHS-DSQDWWTGSA-N 408.410 2.822 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2n1 4279662 WUXDOKQZEWTKHM-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 6421471 XCZRHKFNZLSPJG-RIYZIHGNSA-N 416.430 2.683 10 40 HFCB O=C(C[C@@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 16926215 QTBBCMRYQMRGHZ-AWEZNQCLSA-N 403.372 2.603 10 40 HFCB COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2)cc1 32863109 YSQZOOWSWQYGSP-QGZVFWFLSA-N 406.490 2.869 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225581438 HGLBIJPJIIXJTI-UHFFFAOYSA-N 421.538 2.750 10 40 HFCB CCc1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)o1 408631875 MSKVWAFGRUCPQI-GXDHUFHOSA-N 406.420 2.595 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)c1 4174727 YTDRGRPKYMPOLJ-SSZFMOIBSA-N 406.529 2.535 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCC3)ccc21 9135485 UBBSVZVRULSEAE-QHCPKHFHSA-N 420.557 2.639 10 40 HFCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 57670541 CBIBLYKFGPFRHC-LEWJYISDSA-N 414.554 2.770 10 40 HFCB COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1Cl 223879279 CUMPKWCVWSBVFS-UHFFFAOYSA-N 424.906 2.646 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1839984 OOTQBUQCPFRHKL-NTUHNPAUSA-N 420.493 2.992 10 40 HFCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964034 VPNGMNQKKWVKFG-HSZRJFAPSA-N 420.557 2.557 10 40 HFCB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(C[C@H]2CCCO2)C1=O 9025058 UREXJWUWWUOUPI-DOMZBBRYSA-N 422.528 2.600 10 40 HFCB O=C(O)[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 28296918 KDOUGVDOVGCWOA-UQRISPGASA-N 408.501 2.727 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCCn1ccnc1 33544756 CXQAUZLGRSNCKD-DTQAZKPQSA-N 400.529 2.681 10 40 HFCB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 225775984 AQZSUPOSPVVIFK-UHFFFAOYSA-N 400.548 2.942 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1OC 408534892 MVKCMYTWSCSRPO-YBEGLDIGSA-N 424.409 2.686 10 40 HFCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)O 408847849 VZKALSGPMNMFGJ-YAFRSCOQSA-N 414.801 2.858 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H](CO)Cc1ccccc1 33542791 JWDRKNQZJHTKOC-KNGSKEOJSA-N 418.565 2.669 10 40 HFCB COc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 2965954 WEHKMIYGPAWGLA-OAQYLSRUSA-N 401.508 2.883 10 40 HFCB CCNc1nc(NCC)n2c(SCCOc3ccc(OCC)cc3)nnc2n1 6949377 KEYCGURNEUHVPS-UHFFFAOYSA-N 403.512 2.953 10 40 HFCB O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1ccccc1O 54361117 BCGNXYGAHWYOLO-YBEGLDIGSA-N 408.464 2.882 10 40 HFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 103919355 UXMWNMULFUOCAY-UYRXBGFRSA-N 409.402 2.950 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)s1 225876115 QNOSTHOPFYOQNC-GFCCVEGCSA-N 409.537 2.526 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCc1c[nH]cn1 5208420 KSAUSRSBCYFSPD-AUWJEWJLSA-N 406.920 2.623 10 40 HFCB Cc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13673439 RTTMNIBBXOKAFV-UHFFFAOYSA-N 401.532 2.678 10 40 HFCB O=C(NN1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S)c1ccccc1O 13693358 BCGNXYGAHWYOLO-MHWRWJLKSA-N 408.464 2.882 10 40 HFCB COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33562963 JOWVFLNSZNFICN-DYTQJMLRSA-N 400.818 2.742 10 40 HFCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC 35112860 BSJSPBMKFJFYGL-ZROIWOOFSA-N 403.232 2.928 10 40 HFCB CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 409339640 XNJFAOAFSFMFAT-VBKFSLOCSA-N 406.529 2.535 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 9183473 YBJNGAQDMBWUPV-XGICHPGQSA-N 415.745 2.643 10 40 HFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)sc2n1 50781082 QORHEZBPORESSQ-UONOGXRCSA-N 403.504 2.822 10 40 HFCB Cc1ccc2nsnc2c1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408535522 SZOYFQWCTIUIIS-SDNWHVSQSA-N 407.455 2.617 10 40 HFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Cc1ccccc1F 408868741 PYOSIWGGQCGMIR-UHFFFAOYSA-N 404.850 2.993 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 5513226 QRPXCIDVPYMFHA-WOJGMQOQSA-N 419.437 2.890 10 40 HFCB Cc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 8778394 CKZDQMXBQGDFCA-VMPITWQZSA-N 421.497 2.917 10 40 HFCB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392521 UNVKPMMEZGAVBU-HSZRJFAPSA-N 422.573 2.740 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1 409191259 FNSHPPWWYDZJJL-XDUBLRSXSA-N 410.451 2.678 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)cc1C 409193804 LWKHWEIWGLPBIX-SWEABUAFSA-N 408.410 2.822 10 40 HFCB O=C1N=C(N2CCN(S(=O)(=O)c3ccccc3)CC2)S/C1=C\c1ccccc1 95101229 ZVXPWOCCMUYLMW-SDXDJHTJSA-N 413.524 2.663 10 40 HFCB C[C@H]1CN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 95468168 STJPBKBHKFWSBY-STQMWFEESA-N 402.426 2.860 10 40 HFCB CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 225852353 VFNRRAMQOHFPDX-FQEVSTJZSA-N 403.548 2.782 10 40 HFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)[nH]c2ccccc12 6786169 PYGHSBCYMOWWJS-AQTBWJFISA-N 422.485 2.641 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S)c1ccccc1O 13729608 GHIKZOMKVUUFNL-GDNBJRDFSA-N 408.464 2.882 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)ccc21 71850257 PHBSXOBEIBGZGJ-SFHVURJKSA-N 419.572 2.600 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 409393643 RSRZFRWAIPTEEZ-VGOFMYFVSA-N 411.215 2.992 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 6660418 MTBVITPHKYAJGU-ZKMNFCBKSA-N 420.556 2.660 10 40 HFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 9347915 HQUNIJBHYOSBRC-QPEQYQDCSA-N 420.493 2.992 10 40 HFCB Cc1cccc(C)c1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 10113564 MJKRFPFTLIWLOZ-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(Cl)cc3)CC2)cc1 23224704 RVLPDHURWVDQOV-FQEVSTJZSA-N 420.937 2.927 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4c(C)cc(C)cc43)CC2)cc1 225757105 VNQLXDPFDSXJBA-UHFFFAOYSA-N 405.498 2.976 10 40 HFCB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@H]1NC(=O)c1ccccc1 5669889 JHQIGYJGIOOGAW-WDPSMDGFSA-N 410.430 2.949 10 40 HFCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)C(C)(C)C)co3)CC2)cc1 36357099 PEQQXJCWKVWJMO-UHFFFAOYSA-N 414.502 2.965 10 40 HFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408527510 FXYZSXSGZOVCHW-PTNGSMBKSA-N 420.429 2.812 10 40 HFCB COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 35597260 UOQCBZWADGJFKU-JOCHJYFZSA-N 423.561 2.798 10 40 HFCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCN1CCOCC1 12770949 VYXCZARPUJYIQS-KAMYIIQDSA-N 413.362 2.983 10 40 HFCB COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1 20140261 MINICHCQCUZYLS-JOCHJYFZSA-N 422.533 2.548 10 40 HFCB CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38173442 JKPCTLXVUKLPMJ-WUXMJOGZSA-N 401.331 2.794 10 40 HFCB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCCCC4)c3=O)CC2)cc1 101374350 USSPVSZXFSKSLI-UHFFFAOYSA-N 413.518 2.662 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Cc1ccccc1Br 408876876 ONQWABWHTJWGEL-UHFFFAOYSA-N 415.243 2.798 10 40 HFCB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O 3038724 SMBJNGZIBWCWOU-NTEUORMPSA-N 418.203 2.827 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1 7220036 XWBJRFYVQLEKIU-UHFFFAOYSA-N 413.543 2.958 10 40 HFCB CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374897 WZPXEQGGDJHMSL-RRFWPWMESA-N 406.529 2.893 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)O 409244429 CPBJEOOQFMYMGO-JMRXEAOASA-N 424.409 2.522 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c1 5477958 TXNAFNROJHKKBM-DHDCSXOGSA-N 401.469 2.645 10 40 HFCB O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1CCCN1CCOCC1 54361152 VCDJJYGZSZCKIL-LGMDPLHJSA-N 400.529 2.553 10 40 HFCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409147178 VLDBFLILTLEGBD-YBEGLDIGSA-N 403.529 2.625 10 40 HFCB Cc1c2c(cc(=O)n1CCc1ccccc1)N[N@@H+](c1nc3ccccc3s1)C2=O 1086820809 CWLBYWBQCRLXAZ-UHFFFAOYSA-O 403.487 2.706 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2700446 XMCMXKHHENQFKE-NTEUORMPSA-N 418.452 2.913 10 40 HFCB O=C1N=C(NS(=O)(=O)Cc2ccccc2)S/C1=C/c1ccc2c(c1)OCO2 5684260 ZVRKOQNRSHPHLI-CXUHLZMHSA-N 402.453 2.505 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 54360822 AAMPLAGIHYSXSU-GFAPJHNFSA-N 402.453 2.754 10 40 HFCB CN1CCCc2cc([C@H](CNS(=O)(=O)c3cc(F)ccc3F)N(C)C)ccc21 8798791 LKUIVOPCKNYNNQ-IBGZPJMESA-N 409.502 2.928 10 40 HFCB O=C(O)[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 9253504 FYWZVUFKOHWPBX-XFNCEPBJSA-N 422.503 2.883 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409131313 VKPXDCKZAKQEFK-QGOAFFKASA-N 423.444 2.891 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)O 409244430 CPBJEOOQFMYMGO-WDGDVPDHSA-N 424.409 2.522 10 40 HFCB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N/C(N)=S)cc1)/N=N/C(N)=S 17211841 FLTJTMPAKBGLRM-UFTFEWTDSA-N 422.540 2.512 10 40 HFCB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 33547149 OWZPUNLECMJRTH-BTAWCLGRSA-N 416.817 2.662 10 40 HFCB COc1ccc2c(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)c[nH]c2c1 51330864 FRPXQEFBXYYSHJ-LNYFCXHSSA-N 420.468 2.696 10 40 HFCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 4677909 DZQMAKATZBSZII-YBEGLDIGSA-N 403.350 2.706 10 40 HFCB CCc1nn2c(C=C3C(=O)NC(=S)NC3=O)c(-c3ccc(Cl)cc3)nc2s1 41077962 BYTAGXHIOWPMDO-UHFFFAOYSA-N 417.903 2.588 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)C(=O)NC2=S)cc1 108935862 LRYDTOAOYUVQJZ-LDADJPATSA-N 424.478 2.632 10 40 HFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409097258 LYFSBUWGZXKBRE-FOWTUZBSSA-N 419.368 2.981 10 40 HFCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N2CCOCC2)cc1 5945798 GAAVUCMIAJHFOQ-NRFANRHFSA-N 422.485 2.798 10 40 HFCB COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 10327622 FLKNZEQWTRTXRP-UHFFFAOYSA-N 403.866 2.645 10 40 HFCB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)cc(Br)c1O 16606769 XUHWBBMNKLFBAT-JTQLQIEISA-N 420.057 2.718 10 40 HFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)O 107892743 WEYBRARGZWRLLE-HIXWQLQUSA-N 422.437 2.737 10 40 HFCB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N3CCOCC3)cc2)cc1 6317804 WCOINJXJLPEYKS-NRFANRHFSA-N 422.485 2.798 10 40 HFCB Cc1ccc(C)n1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 40158371 BIWGVIABPJIZLL-UHFFFAOYSA-N 423.494 2.798 10 40 HFCB COCCN1C(=O)[C@@H](Cc2cc(Br)c(OC)cc2OC)SC1=S 409149589 KSMHRBJNJKLAAY-CYBMUJFWSA-N 420.350 2.884 10 40 HFCB COc1cc(C(=O)NN2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc(OC)c1OC 8869996 QVKPJZGHYGJXRN-ZROIWOOFSA-N 419.484 2.587 10 40 HFCB O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 9310687 YQAUOYGQEDXDGW-MSUUIHNZSA-N 410.476 2.889 10 40 HFCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 15013151 CKCGGZVTBIZRQR-VIZOYTHASA-N 410.451 2.872 10 40 HFCB CN1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 20226861 WZKONWKATWOMBD-WIXUPIFPSA-N 401.557 2.608 10 40 HFCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 35078474 IGTQEHSBSNCUII-ZHZULCJRSA-N 400.438 2.950 10 40 HFCB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 1799203 KPKNHDVZROIFDO-UVTDQMKNSA-N 418.544 2.610 10 40 HFCB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc1 41083964 ZCQVWQHAJHSKEI-JCOXHHPGSA-N 419.532 2.544 10 40 HFCB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)s1 224606990 BCCOYIOTTKPKOW-UHFFFAOYSA-N 416.484 2.918 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S 1237710 DNOZVUGWKUSSIX-WDZFZDKYSA-N 402.291 2.832 10 40 HFCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C1\C(=O)Nc2ccc(F)cc21 4193774 LXMJCKIYNATFMF-ZCXUNETKSA-N 408.458 2.941 10 40 HFCB Nc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 4824621 LQUCSXOZWDCBQC-UHFFFAOYSA-N 409.423 2.617 10 40 HFCB Cc1cc(C(=O)COC(=O)CCC(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 5619174 BMVXDYCSEAOCKJ-UHFFFAOYSA-N 406.504 2.904 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1 13712501 KWGPPQZZMPWZPL-YBEGLDIGSA-N 416.480 2.956 10 40 HFCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734706 USNGRDWXFXKZPQ-DEOSSOPVSA-N 422.573 2.796 10 40 HFCB COC(=O)/C=C/c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 29528687 VTXHSXORAJWNML-YCRREMRBSA-N 413.405 2.883 10 40 HFCB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1F 32906311 DERWZRZDGJYNAX-UHFFFAOYSA-N 415.490 2.853 10 40 HFCB COCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc(C)c1C 46028833 VTNPENJEZLDSKX-UHFFFAOYSA-N 418.563 2.596 10 40 HFCB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670469 PQACPFBLDFRJOQ-SFTDATJTSA-N 414.554 2.914 10 40 HFCB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1 225423222 BMXBFDXYPWCBIO-GOSISDBHSA-N 417.575 2.943 10 40 HFCB biogenic,in-vitro C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 4868473 GMPVYXMEPKRDDB-KBPBESRZSA-N 420.465 2.991 10 40 HFCB Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838378 NPLLGWLQXWSTHP-DEOSSOPVSA-N 423.557 2.946 10 40 HFCB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)s1 26082548 ZMPQXMIEBMWWDT-KRWDZBQOSA-N 407.561 2.592 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 102945131 ZIJIGENUTDZKSV-FYTMPNSFSA-N 421.413 2.919 10 40 HFCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O 408915510 WPEMJAVBNYXXEA-VGOFMYFVSA-N 415.333 2.505 10 40 HFCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNc1nc[nH]c2ncnc1-2 604405878 SOEKZMZCWIBYCA-UHFFFAOYSA-N 408.421 2.943 10 40 HFCB biogenic COc1ccc2cc(/C=C3/SC(=S)N([C@H](C(=O)O)C(C)C)C3=O)c(=O)[nH]c2c1 13690871 GJYDPWNKBXGOCT-LULHVWEPSA-N 418.496 2.847 10 40 HFCB CC(C)CN1C(=O)/C(=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)SC1=S 32046727 CLVCRHPFKAICSM-PDGQHHTCSA-N 419.572 2.891 10 40 HFCB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670336 ZIVMYGDFJQXQHK-UXHICEINSA-N 400.527 2.524 10 40 HFCB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350365 FCBJKABXCDOTCJ-QFIPXVFZSA-N 408.546 2.745 10 40 HFCB O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)NCCCn1ccnc1 6661088 SIHRKQCIUFQQDT-MYZNAZEESA-N 416.528 2.830 10 40 HFCB CCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 2183786 SNAPKGPKTNZGBO-UHFFFAOYSA-N 413.293 2.551 10 40 HFCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 12521004 PLTFAICWTKYQJT-SECBINFHSA-N 409.489 2.989 10 40 HFCB COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 13546652 MBVGRMNZPDJDDB-ZROIWOOFSA-N 401.375 2.574 10 40 HFCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1 35648316 DCJBXLYATWWPGV-ZSOIEALJSA-N 400.437 2.637 10 40 HFCB COC(=O)C1CCN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CC1 58790327 AJVOFTSMMPIJEB-UHFFFAOYSA-N 400.397 2.749 10 40 HFCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408775972 LJYGFMWYBVTKOD-WOJGMQOQSA-N 408.410 2.522 10 40 HFCB COCCN1C(=O)[C@H](Cc2cc(Br)c(OC)cc2OC)SC1=S 409149590 KSMHRBJNJKLAAY-ZDUSSCGKSA-N 420.350 2.884 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)cc1 408859724 YOOLRWMIHWWKMO-HTMJNSLASA-N 424.409 2.604 10 40 HFCB COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1OCC(N)=O 12597229 ZVHDDSCMMGAJQZ-UHFFFAOYSA-N 411.502 2.822 10 40 HFCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 408548537 IJKRPXVSNNZNTF-FRKPEAEDSA-N 405.813 2.952 10 40 HFCB CCOc1cc(C=C2C(=O)N(CC)C(=O)N(CC)C2=O)c(Br)cc1O 2773195 YDCJTNOJFFQZGY-UHFFFAOYSA-N 411.252 2.767 10 40 HFCB O=C1NN[C@H](c2ccccc2O)[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 6597061 RDXXVOXVYNVJCU-FGZHOGPDSA-N 401.466 2.913 10 40 HFCB O=C1N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409095979 IYEKNPFKZYBKBH-UYRXBGFRSA-N 408.414 2.524 10 40 HFCB Cc1ccc(-n2c(C)cc(P(=O)(N3CCOCC3)N3CCOCC3)c2C)cc1 5173257 QNOKGZOZNWSTPM-UHFFFAOYSA-N 403.463 2.885 10 40 HFCB COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4ccccc4c3)CC2)cc1 5262152 XRLXKIMLGDKQHY-UHFFFAOYSA-N 403.482 2.927 10 40 HFCB O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 35308046 GYOBXNDDVMUCNK-FMIVXFBMSA-N 424.589 2.847 10 40 HFCB CN1CCN([C@@H](CNC(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 35597247 MYMJCNGKUWIZJJ-QFIPXVFZSA-N 411.525 2.928 10 40 HFCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 8963977 LTAJMLMFAQRWOI-NRFANRHFSA-N 408.546 2.962 10 40 HFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(OC)c1O 9188732 ZMLVPRYVTWESFL-GDNBJRDFSA-N 416.480 2.956 10 40 HFCB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N(C(C)=O)N1C 5609961 MLSSXXUXBFSNNY-NRFANRHFSA-N 409.490 2.843 10 40 HFCB CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCSC2(CCCCC2)C1 95453216 HFNWZJJCPOBPFO-UHFFFAOYSA-N 410.605 2.914 10 40 HFCB COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 107700203 HNHBUROSHXZGBF-LCYFTJDESA-N 420.206 2.761 10 40 HFCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 409228523 BDGDRQYEDNKSEW-LDADJPATSA-N 422.441 2.833 10 40 HFCB CCOC(=O)c1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)cc1 64979199 ULRHVYKCKJMTJM-UHFFFAOYSA-N 405.403 2.942 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)c1C 409190487 OMAAMRMGRYNBEU-DSQDWWTGSA-N 424.478 2.987 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC 859971 HQHKDMJTGXBADS-AWNIVKPZSA-N 403.778 2.727 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N=C(S)N(c2ccccc2F)C1=O 102571995 USWMDMFBKOEGGC-AYYGCFCKSA-N 422.441 2.950 10 40 HFCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 225473173 FPSGZUWOZJDJHS-UHFFFAOYSA-N 403.548 2.542 10 40 HFCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 1183985 PQUWTLKTCRGHCP-LCYFTJDESA-N 404.220 2.775 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16932332 VVPFYNWJGVZJCM-QENILXLESA-N 405.453 2.525 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC(C)C 408953926 QNYKVHYLWVQGBP-OQLLNIDSSA-N 424.409 2.878 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC 2282392 YAIOSTLVRVQZIY-XYOKQWHBSA-N 400.362 2.518 10 40 HFCB CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733610 WFUVZMQBWCAEBW-HSZRJFAPSA-N 422.573 2.796 10 40 HFCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C(C)C 24258267 ZMOUHZDDEPQDEU-UHFFFAOYSA-N 407.536 2.935 10 40 HFCB CC[C@@H](C)[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374927 UWBNFHKZXMTDRN-HAIRLQBDSA-N 406.529 2.812 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCCn1ccnc1 33589735 BEVIENIODDZCMI-FOWTUZBSSA-N 418.519 2.820 10 40 HFCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc1 4159117 LCCJLMVSQAVMDC-LCYFTJDESA-N 407.542 2.506 10 40 HFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 32707993 NMJSKRGHXFRERG-UMYFRRCYSA-N 416.274 2.578 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)C(C)C)C2=O)cc1 5374958 XEBHONSUOOBAIP-HFQYIWAZSA-N 406.529 2.812 10 40 HFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 409237717 LEFSUPOYJHGDPZ-QGOAFFKASA-N 421.453 2.507 10 40 HFCB COc1ccc(OC)c(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 7409990 YWIKUQWGFFPAJD-JTQLQIEISA-N 410.517 2.790 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 12545895 BHZLFQDWBBQXCT-UHFFFAOYSA-N 422.934 2.852 10 40 HFCB COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33562965 JOWVFLNSZNFICN-GQVHDAKQSA-N 400.818 2.742 10 40 HFCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3F)C2=O)o1 33762026 MJRWOUXMJDDMQK-YVLHZVERSA-N 413.405 2.898 10 40 HFCB O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12388965 WCWXRFHGPYKEHS-KRWDZBQOSA-N 407.470 2.790 10 40 HFCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1O 967009 CVJBTEGPSKKVNI-POHAHGRESA-N 418.290 2.839 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 408628484 UFTXWHKYXSCPJT-UHFFFAOYSA-N 401.419 2.583 10 40 HFCB CCCc1nc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631414 IOLIDAUWOUBJOI-RVDMUPIBSA-N 419.463 2.720 10 40 HFCB O=C1NC(=O)C(=Cc2cc(Br)ccc2Cc2cccc(F)c2)C(=O)N1 408874321 BFESGQYXBGYOJN-UHFFFAOYSA-N 403.207 2.928 10 40 HFCB COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 102734951 KSWLGYANYAPQKQ-HXBSJJRASA-N 411.487 2.717 10 40 HFCB COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 4030260 YCHIMGIVUFDBRN-IBGZPJMESA-N 402.516 2.591 10 40 HFCB COc1ccc(N2CCN(C(=O)CN(C)CC(=O)Nc3cccc(C)c3C)CC2)cc1 7493936 SXIIBHNACWHVLE-UHFFFAOYSA-N 424.545 2.531 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 100300929 FVKSMGCGVGWZEW-AFYLJXPJSA-N 401.513 2.949 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 1300997 WRQYXTIQBPXCMO-RVDMUPIBSA-N 406.510 2.790 10 40 HFCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O)C(=O)O 409191522 YCYAIQFQISEZHK-CDDSVFCYSA-N 414.414 2.509 10 40 HFCB CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 1457218 RXGDITPRHCBJDM-NRFANRHFSA-N 409.486 2.548 10 40 HFCB CC(C)C[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374892 HLBIUNKPMJNSEK-AYYGCFCKSA-N 406.529 2.893 10 40 HFCB Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)NC3=O)c(=O)n2c1 5815211 BUROONYXFHUHOP-ZROIWOOFSA-N 400.529 2.728 10 40 HFCB CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 6511120 LHPGDGPTUNXWLV-JXAWBTAJSA-N 406.442 2.747 10 40 HFCB COc1ccc(N2CCCN(CC3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 72338550 LPCHNMCHFBSYPN-QFIPXVFZSA-N 401.551 2.625 10 40 HFCB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)c12 36615782 XWADITOELJVIRZ-UHFFFAOYSA-N 418.545 2.836 10 40 HFCB CCCN1C(=O)/C(=C\Nc2sc3c(c2C(=O)OCC)CCCC3)C(=O)NC1=S 102908563 YPTUSWLXVJMWGF-BENRWUELSA-N 421.544 2.753 10 40 HFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 408786079 LMHLEWXGVLBHLV-WOJGMQOQSA-N 417.421 2.789 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(Br)c1 408951935 MXOSBOHDYDFSHD-NTUHNPAUSA-N 415.199 2.844 10 40 HFCB COC(=O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1810279 MWHRJUSSENHUHP-ZCXUNETKSA-N 424.503 2.978 10 40 HFCB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H](C)C1 15188036 OSLHCEMJDUDVQZ-STQMWFEESA-N 400.435 2.653 10 40 HFCB CN1CCN(c2ccc(CNS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1 216948722 YCMDZCWSAFMDHJ-UHFFFAOYSA-N 411.930 2.851 10 40 HFCB CN1CCCc2cc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)ccc21 54360859 SWSKJKLOAIPAAH-QTNMRXCUSA-N 420.512 2.588 10 40 HFCB O=C(C[C@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 16926219 QTBBCMRYQMRGHZ-CQSZACIVSA-N 403.372 2.603 10 40 HFCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(I)o2)SC1=S 1239075 ZVJKVHQQSVLNNZ-HOYUYTIUSA-N 423.253 2.647 10 40 HFCB Cc1cc(N2CCOCC2)ccc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 19570686 TYMWRLWONIPWAP-UHFFFAOYSA-N 417.513 2.535 10 40 HFCB COc1ccc(N2CCN(C(=O)CCSc3nnc(-c4ccc[nH]4)o3)CC2)cc1 26112542 HSDXGYNERBRYIN-UHFFFAOYSA-N 413.503 2.904 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 224494615 DXYNFIMUKPOHIY-ZDUSSCGKSA-N 423.564 2.772 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)cc1Cl 408989675 UZNPMUODVOGASZ-NVNXTCNLSA-N 414.801 2.778 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc1 409202041 ODBUKWBMIHMUEK-LGMDPLHJSA-N 405.520 2.722 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21 13007900 OUJDBKZKTLHHTI-QFIPXVFZSA-N 412.578 2.771 10 40 HFCB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 247863535 HIDTWYOVHLVSFS-IPMKNSEASA-N 414.461 2.705 10 40 HFCB C[C@H]1CCCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)C1 16700469 VBWCWQPLQFOLCP-GVIGZQTCSA-N 400.529 2.762 10 40 HFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 408553525 ZSZVPUFKVSNXTJ-WQLSENKSSA-N 419.821 2.921 10 40 HFCB CCOC(=O)c1ccccc1NC(=O)C[C@@H]1SC(=S)N(C[C@@H]2CCCO2)C1=O 9025053 UREXJWUWWUOUPI-WFASDCNBSA-N 422.528 2.600 10 40 HFCB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 4369537 WZQGEDPQJZCFFA-UHFFFAOYSA-N 405.435 2.585 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1N1CCOCC1 409248859 RTIAPIJKDIVPCL-NBVRZTHBSA-N 421.522 2.971 10 40 HFCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 6660989 CCJIQGYHVUDYHV-CNYBTUBUSA-N 408.520 2.790 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1 62825004 IYYNZPXXJZTZMD-BOFQVRIASA-N 412.536 2.608 10 40 HFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3C)C1=O)OCO2 409098570 QQWMRCYVULYNCV-ZSOIEALJSA-N 410.451 2.954 10 40 HFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12517438 ZCOGAXUIKVANCF-UHFFFAOYSA-N 402.520 2.988 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408805342 AGYUJDAIMMNNNG-NTUHNPAUSA-N 401.762 2.923 10 40 HFCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1 408910966 MIUVIVVJCLREIV-GZTJUZNOSA-N 411.483 2.527 10 40 HFCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C1\C(=O)Nc2ccccc21 4193773 XLVQKVLJTKIRFT-ZCXUNETKSA-N 408.458 2.941 10 40 HFCB COc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)c(O)c1 12143365 IUTIDVLZQHRETP-JOCHJYFZSA-N 408.502 2.538 10 40 HFCB N=C(N)NS(=O)(=O)c1ccc(/N=N\c2c(O)c(C(=O)O)cc3ccccc23)cc1 104123525 MUOFBLRJLQRVDM-DQRAZIAOSA-N 413.415 2.831 10 40 HFCB CCc1nnc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)o1 408631338 HSQVTLQZVOGORP-RVDMUPIBSA-N 419.463 2.510 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1 5482870 IYYNZPXXJZTZMD-ZCWPUFOUSA-N 412.536 2.608 10 40 HFCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1OC 8739409 MXKVLMQFCUJSOK-XNTDXEJSSA-N 410.382 2.754 10 40 HFCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 12521005 PLTFAICWTKYQJT-VIFPVBQESA-N 409.489 2.989 10 40 HFCB COc1ccc(N2CCCCC2)cc1C(=O)N1CC[C@@H](c2ncc(C(N)=O)c(C)n2)C1 19758136 QVOQPHWBDDMJEI-MRXNPFEDSA-N 423.517 2.513 10 40 HFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/N[C@H](C)c3ccccc3)C2=O)cc1OC 20291306 IKEIJVHFXZTZRT-SULWINFOSA-N 423.469 2.559 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N2CCc3ccccc3C2)cc1 35392523 AISVTHSJEUGKQI-JOCHJYFZSA-N 422.573 2.883 10 40 HFCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 409067064 NQAZHHUELUWAKG-IQGJIOQQSA-N 404.488 2.820 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCC3)ccc21 9135484 UBBSVZVRULSEAE-HSZRJFAPSA-N 420.557 2.639 10 40 HFCB C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1)c1ccccc1 4330736 LVEXXZRZYXNPLF-GCJKJVERSA-N 408.546 2.883 10 40 HFCB COCC(=O)N(C)[C@H](c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C 4562519 CQYSIDWRWVVOHX-OAQYLSRUSA-N 408.506 2.539 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409239173 CHTNQCWOPSYEHA-MDWZMJQESA-N 416.231 2.909 10 40 HFCB COc1cc(N2CCOCC2)c(OC)cc1CN1CC[C@@](O)(c2ccc(C)cc2)C1 19715740 PMFUYUSHNXUZLR-DEOSSOPVSA-N 412.530 2.942 10 40 HFCB CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589263 KXYGGKSYBCPXNJ-QHCPKHFHSA-N 410.562 2.870 10 40 HFCB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 24207001 UWGPCAQEVYKVFU-HXUWFJFHSA-N 415.559 2.998 10 40 HFCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N(C)C)cc3)C2=O)c(C)c1 408529811 IBYVPUZENPXSER-LDADJPATSA-N 420.469 2.892 10 40 HFCB NC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 409123845 IKLHZOIFUCUJPW-TUTDSIAXSA-N 401.513 2.507 10 40 HFCB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5349674 GCZYSSSEFXESRS-JOCHJYFZSA-N 423.561 2.710 10 40 HFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1 9311412 SKSTVFWOEDQNMA-FHNWIRHTSA-N 424.409 2.604 10 40 HFCB COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)N=C2O)c1 2288658 NFBQIRZWWVEEJM-NTEUORMPSA-N 412.398 2.592 10 40 HFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\N[C@H](C)c3ccccc3)C2=O)cc1OC 95483894 IKEIJVHFXZTZRT-LWFDYCOSSA-N 423.469 2.559 10 40 HFCB O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1CCN1CCOCC1 96930789 SSDHIMWVHFZGHW-SDNWHVSQSA-N 400.472 2.821 10 40 HFCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 9189880 QGZFSAVTNDFGTR-LGMDPLHJSA-N 418.501 2.970 10 40 HFCB COc1ccc(N2CCN(CN3C(=O)C4(OCC=CCO4)c4ccccc43)CC2)cc1 19874697 RMYFHWLRBJOJAF-UHFFFAOYSA-N 421.497 2.577 10 40 HFCB CCS(=O)(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 4061790 SBVZRXRXBYHMNK-JXFKEZNVSA-N 423.604 2.948 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 408918696 NWCHFGUFLDMCAF-JYRVWZFOSA-N 401.375 2.574 10 40 HFCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409140842 GEPICOFFORULPO-PILJQMSFSA-N 408.451 2.650 10 40 HFCB CN(C)c1ccc([C@@H]2C/C(=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)NN2)cc1 8997094 GZOSRQDSQMMEIM-QCPHZMBFSA-N 409.421 2.808 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)O 9253510 XHZNMSCTPBYCRY-NTUHNPAUSA-N 420.493 2.992 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1O 9263170 QTKHWCCCLGTPCK-QPEQYQDCSA-N 417.215 2.830 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 37123778 PSTBJKXNWXRKSX-JQIJEIRASA-N 401.532 2.691 10 40 HFCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408866471 GVSIIADJAKBQHO-WJDWOHSUSA-N 410.401 2.567 10 40 HFCB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 6758771 CVTOTXNIQUMGIT-UHFFFAOYSA-N 416.437 2.996 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cn3)C2=O)c1 13126101 VPAVQQFDSVGRKS-LCYFTJDESA-N 401.220 2.731 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29502754 GKWXMTQEHUUGAA-UHFFFAOYSA-N 408.462 2.779 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CCCO4)CC3)ccc21 100766660 FZTRSMIIYBOJRX-KPLVRAHFSA-N 413.562 2.787 10 40 HFCB O=S1(=O)NC2(CCN(Cc3ccc(N4CCCC4)cc3)CC2)Nc2ccccc21 12142418 MPUBIXQMIRGZFM-UHFFFAOYSA-N 412.559 2.983 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(C(=O)O)c3)C2=O)cc1 10038285 VNMSLVNCFZJTIM-SFQUDFHCSA-N 424.409 2.849 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Cc2ccccc2Br)cc1 408872890 KRTPIGMKHFCZBH-UHFFFAOYSA-N 401.285 2.954 10 40 HFCB O=C(NN1C(=O)/C(=C/[C@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc(O)c1 5375960 UZWWILGFGGBPER-MLJKTZRHSA-N 411.464 2.517 10 40 HFCB CCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1OC 6964036 NSKAXAFHTOJLLL-FEEIMYBTSA-N 401.459 2.946 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 408766755 GBKBEWIZCYNZSC-CXUHLZMHSA-N 410.426 2.996 10 40 HFCB CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc12 19371450 BWBOHXRTCMDHDI-UHFFFAOYSA-N 412.486 2.887 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC 408916335 CCPMLDZRJRJLTO-ZSOIEALJSA-N 416.430 2.683 10 40 HFCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409140840 GEPICOFFORULPO-JASJWYONSA-N 408.451 2.650 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)c1C 409193649 KGUAVLXMNLOKHS-LUYJPIOASA-N 408.410 2.822 10 40 HFCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5098987 NAILFXZFIAVITI-HXUWFJFHSA-N 418.519 2.776 10 40 HFCB CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733754 NFCJSLCLVFMXNH-XMMPIXPASA-N 422.573 2.796 10 40 HFCB C[C@@H]1CN(CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@@H](C)O1 26529597 AQSUKKFGJDVHGR-IAGOWNOFSA-N 402.564 2.795 10 40 HFCB CN1CCN([C@@H](CNC(=O)NCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 35597263 QEAAGFVGGKSVIF-DEOSSOPVSA-N 421.589 2.509 10 40 HFCB CCn1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)n1 257260387 LCQGTJZSQQJNKB-INIZCTEOSA-N 406.490 2.923 10 40 HFCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@H]4CCCO4)c3C)C2=O)c1 409193904 HJLPYIGLDIEWMG-YBCYLVPRSA-N 423.469 2.959 10 40 HFCB CN(C)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6878618 GOHAMUZALINQJA-WJDWOHSUSA-N 412.833 2.621 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O 107566496 ICAYSVPAXLYEFS-BOPFTXTBSA-N 408.410 2.985 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 33544023 SHHNSLLVEJCOMX-OVCLIPMQSA-N 414.464 2.930 10 40 HFCB CCOC(=O)c1cc(-c2ccccc2)sc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 6489129 UKCSLOZSWMNTES-UHFFFAOYSA-N 413.455 2.938 10 40 HFCB COc1ccc(CN/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408550352 GLENKXVAFCAHJH-UVTDQMKNSA-N 419.865 2.909 10 40 HFCB C/C(=C1\SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc(Br)cc1 8821616 PDFWZKQICZDVBD-DHZHZOJOSA-N 422.347 2.928 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 9234414 HRANDYOXEHJLMM-PFONDFGASA-N 411.464 2.564 10 40 HFCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCC1 9234532 FQFJQAFQPDQAOB-LFIBNONCSA-N 406.529 2.918 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1 409188953 LJFSJCGWYLFGEI-LVLBFHFTSA-N 424.478 2.932 10 40 HFCB CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(OC)c1O 9421835 WJNPYKJEBJMWBX-KRWDZBQOSA-N 417.487 2.860 10 40 HFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 107879579 MWAZEOOYNQSVHV-GZTJUZNOSA-N 406.354 2.641 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 759608 MRKSXRBLCSZPIW-AWNIVKPZSA-N 400.774 2.744 10 40 HFCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)CC2)cc1 12069900 ALUNLIIBEIVMGE-UHFFFAOYSA-N 419.481 2.925 10 40 HFCB Cc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1C 408526164 ABNHOKOCLYEKNV-QGOAFFKASA-N 406.442 2.630 10 40 HFCB O=C(O)CN1C(=O)/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409338653 NSVXGCVDHKGREZ-ZSOIEALJSA-N 403.441 2.730 10 40 HFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 13726739 JSWRGDYKFSYJND-KPKJPENVSA-N 408.432 2.770 10 40 HFCB Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 59139640 NAJHOVMTCXBLTN-UHFFFAOYSA-N 411.483 2.699 10 40 HFCB CN1C(=O)/C(=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 5373319 PCQREHNUPSTDFN-HNENSFHCSA-N 404.495 2.826 10 40 HFCB COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1 6664056 AXWDGHRRVCJSNI-HNNXBMFYSA-N 401.894 2.816 10 40 HFCB COc1ccc(N2CCN([C@@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 57426043 YYEVFXWGVSWDQI-IBGZPJMESA-N 424.545 2.611 10 40 HFCB CCN(CC)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59140090 RXJYDLBQFCDJJX-UHFFFAOYSA-N 410.337 2.894 10 40 HFCB Cn1nccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96114204 KYQONERFOFEQNT-LLVKDONJSA-N 420.377 2.751 10 40 HFCB biogenic CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC 408755394 UPEQQRWDUZJBLG-WJDWOHSUSA-N 412.467 2.934 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=S 409212844 RBGHEDZIQZKMPN-WDZFZDKYSA-N 402.291 2.832 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409244628 GMDJXCLPRMTGQN-NTEUORMPSA-N 412.467 2.852 10 40 HFCB Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 4824612 ZCQMYMXRGJWSHH-UHFFFAOYSA-N 409.423 2.617 10 40 HFCB O=C(O)COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 13569996 UITMIJXZWKTMHF-RGEXLXHISA-N 423.494 2.943 10 40 HFCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)Nc1ccccc1OC 104304738 KNMDROZFFPZCQM-SQFISAMPSA-N 424.482 2.831 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)Cc1ccccc1 225115865 BHUHOHAMQQHYQL-UHFFFAOYSA-N 415.559 2.755 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N(C)C)ccc21 13008648 ZFRGVBPGRUEEIA-HXUWFJFHSA-N 416.472 2.705 10 40 HFCB COc1ccc(N2CCCN(CC(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)cc1 19019174 WCONLODHWOHZGT-UHFFFAOYSA-N 407.514 2.999 10 40 HFCB COc1cc(OC)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33758850 GJYIKZWGONSKFX-JYRVWZFOSA-N 403.232 2.928 10 40 HFCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)c(OC)cc1Cl 408768357 WMDBJPLOBINKHZ-YRNVUSSQSA-N 402.790 2.729 10 40 HFCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCC(N)=O)=N1 408991299 QDHWHTFMQPGHDI-FQEVSTJZSA-N 423.542 2.884 10 40 HFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)c1 409189374 KHJAJHVHOBRDKY-HNEYUBDGSA-N 424.409 2.604 10 40 HFCB O=C1N=C(Nc2cccnc2)S/C1=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3 13723033 MZUJHVUTGSNARZ-CAOOACKPSA-N 406.423 2.777 10 40 HFCB CCOC(=O)[C@@H](C)Sc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23140027 JQNAIEOTWKUUPF-CYBMUJFWSA-N 408.549 2.917 10 40 HFCB Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)no1 84281440 HHISCKVZKRJOFP-RDJZCZTQSA-N 421.544 2.852 10 40 HFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1cccc(C)c1 5198151 YCZMGZPXSYHUDQ-UHFFFAOYSA-N 410.426 2.601 10 40 HFCB COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 35597253 LCRUJDYGEYGYQA-QHCPKHFHSA-N 423.561 2.798 10 40 HFCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)NCc1ccccc1 104304764 USAMCDGOMYVPJB-VKAVYKQESA-N 408.483 2.501 10 40 HFCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 408885991 CISKOXHFDMOESB-WQLSENKSSA-N 403.257 2.986 10 40 HFCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 13512665 UBMKLDADSKTQFE-GZTJUZNOSA-N 420.377 2.988 10 40 HFCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C1=O)OCO2 409083474 ATIHATWEKPAWFE-CHHVJCJISA-N 410.451 2.872 10 40 HFCB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(CCC)c3ccccc32)SC1=S 1809457 GIXDYCXDXGIYFB-NXVVXOECSA-N 404.513 2.968 10 40 HFCB Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1 6924258 UUUBRUWAILMCTE-WQRHYEAKSA-N 413.389 2.600 10 40 HFCB CCCCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC)C2=O)c2ccccc21 27563213 QZAUDONZCGUFIY-NXVVXOECSA-N 404.513 2.968 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1O 9259847 FETIYUPFNCDKFC-JYRVWZFOSA-N 417.215 2.830 10 40 HFCB CN(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1[N+](=O)[O-] 40150314 PRFMUAQFJGDIBZ-UHFFFAOYSA-N 416.453 2.691 10 40 HFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1OC 408692344 KITBELMIUHHIOQ-MDWZMJQESA-N 423.263 2.871 10 40 HFCB COc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)cc1 2965952 WEHKMIYGPAWGLA-NRFANRHFSA-N 401.508 2.883 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3c(F)cccc3Cl)CC2)cc1 3555422 BGMPKEFALOPCPB-UHFFFAOYSA-N 406.841 2.993 10 40 HFCB C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 13572788 DMQCJSQWRZRAFU-MBBDXHFBSA-N 418.452 2.912 10 40 HFCB COC(=O)c1c(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)sc(C)c1C 35414142 URAXAUJAKZZLOS-UHFFFAOYSA-N 417.531 2.921 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CCCO4)CC3)ccc21 100766658 FZTRSMIIYBOJRX-ZWCUEREDSA-N 413.562 2.787 10 40 HFCB COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 408997754 SRGODGFPGZJHFC-UHFFFAOYSA-N 409.442 2.623 10 40 HFCB O=C1C(=CNCCc2c[nH]cn2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 20428862 PVPOJBCAGAVTPB-UHFFFAOYSA-N 413.522 2.882 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1 409070671 GIMGDPFJALYLEC-XSFVSMFZSA-N 421.522 2.971 10 40 HFCB Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cnn(C)c4)C3=O)c2C)c1 89686079 RFQTUEQPECHGEJ-HSZRJFAPSA-N 419.485 2.786 10 40 HFCB COc1cccc(N/C=C2/C(=O)N(c3ccc4nnc(C(F)(F)F)n4n3)N=C2C)c1 101643063 DQDFEIZESKRASS-UKTHLTGXSA-N 417.351 2.870 10 40 HFCB O=C(O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 2293035 QUZLRQNDPZNXEC-ZROIWOOFSA-N 423.425 2.696 10 40 HFCB CN(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 4116640 XNCQGBUYALYWMM-FCEWJHQRSA-N 407.392 2.857 10 40 HFCB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC(c3cccnc3)=NN12 5388101 DDKMPFRITQIRIG-ZSCJGDHMSA-N 401.407 2.855 10 40 HFCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 5624858 FWWMMGSEOYUTGP-LICLKQGHSA-N 412.446 2.523 10 40 HFCB Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21 6868419 XJDFICNTVUDXAQ-MSUUIHNZSA-N 409.492 2.839 10 40 HFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC 17093557 AOMKRYVQLKICQQ-JWGURIENSA-N 423.469 2.904 10 40 HFCB COc1ccc(-c2cc3ccc(O)c(CNCCN4CCOCC4)c3oc2=O)cc1 22935660 RPYWGXBCQCGEMP-UHFFFAOYSA-N 410.470 2.596 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1 409239976 IVFNMMUQZCZOBT-RVDMUPIBSA-N 412.467 2.852 10 40 HFCB Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21 5346490 JZYPWHZNBRGJQZ-LJQANCHMSA-N 406.486 2.656 10 40 HFCB C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 10113570 CMDOWSHMUXPBNE-QGZVFWFLSA-N 401.532 2.758 10 40 HFCB O=C(O)CC1(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)CCCCC1 20622745 YMHXAFMKQKBPMC-PTNGSMBKSA-N 419.865 2.822 10 40 HFCB C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)[C@H](C)C1 4181709 OSLHCEMJDUDVQZ-CHWSQXEVSA-N 400.435 2.653 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCC3)ccc21 9135660 GZUJBGJPXAEVKT-JOCHJYFZSA-N 406.530 2.961 10 40 HFCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCCn1ccnc1 9187736 NSELVIDLCABJIB-GDNBJRDFSA-N 420.947 2.944 10 40 HFCB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(Cl)cc3)CC2)cc1 23224703 RVLPDHURWVDQOV-HXUWFJFHSA-N 420.937 2.927 10 40 HFCB O=C1/C(=C\c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 33540076 QDLMRDQREGIDLX-LUYJPIOASA-N 408.520 2.790 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 1202304 WFXMHYCAUDKWHS-OQLLNIDSSA-N 402.248 2.948 10 40 HFCB O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 12032600 OXIJYORMADDXHY-XRCNLDATSA-N 404.513 2.815 10 40 HFCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409243508 RUGMTJBFYPIGHK-WDXYTVQDSA-N 420.469 2.849 10 40 HFCB CCOC(=O)c1c(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)sc2c1CCCC2 5258919 WGSKBUNWNVICJA-CQSZACIVSA-N 420.487 2.968 10 40 HFCB CC1(C)C[C@@H](O)C[C@@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 6232549 LMGUPZRPNJYARL-XVPPVNSVSA-N 419.909 2.974 10 40 HFCB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 219011023 GRNYDEHRJYMVTJ-UHFFFAOYSA-N 415.559 2.922 10 40 HFCB C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1ccc(N2CCOCC2)cc1 19661771 SSGSDMSGKQJDAF-QGZVFWFLSA-N 406.486 2.501 10 40 HFCB Nc1nc(CC(=O)Nn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cs1 1547138536 CFSKEUXFRMVNOT-UHFFFAOYSA-N 402.435 2.564 10 40 HFCB biogenic COc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2=O)cc1 4084703 LFHCADNUECKUHZ-WTYWISTRSA-N 402.497 2.987 10 40 HFCB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(OC(F)F)cc3)cc2)CC1 32956424 WTQCNULTFRVKPZ-UHFFFAOYSA-N 419.428 2.974 10 40 HFCB COc1cc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)cc(OC)c1OC 2313799 OSKWUAOCMAIICQ-SITOFEAGSA-N 414.439 2.693 10 40 HFCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 57670538 CBIBLYKFGPFRHC-SFTDATJTSA-N 414.554 2.770 10 40 HFCB CC1=NN(c2ccc3nnc(C)n3n2)C(=O)/C1=C/Nc1ccc(Br)cc1 36354264 XRSJKIBYWYUFGU-NTEUORMPSA-N 412.251 2.914 10 40 HFCB COc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 57811727 MBUKPMGCJQMNDS-XMMPIXPASA-N 409.530 2.850 10 40 HFCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 2680111 QAEWMLDUAYWCSD-UVTDQMKNSA-N 409.485 2.996 10 40 HFCB COC(=O)Cn1c(C)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 409094265 DBDCJWSAHIHDGN-OQLLNIDSSA-N 418.496 2.799 10 40 HFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)o1 409195528 QMZHKEXOFKCSEV-RVDMUPIBSA-N 413.455 2.655 10 40 HFCB COc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)O)c1O 80316173 YHOQPQIREBXUEO-HNNXBMFYSA-N 412.398 2.672 10 40 HFCB CCOCCCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCO3)NC1=S 102898409 KOXSDDZQUKBFLZ-GHXNOFRVSA-N 413.293 2.662 10 40 HFCB CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 15305343 ADKVKIACXGVOPH-WCLQXYBISA-N 414.845 2.729 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 408890465 UGDXNQLGYDUGFB-UHFFFAOYSA-N 402.431 2.973 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)C2=O)cc1 408981660 CGEYZRAVJCJSOD-BOPFTXTBSA-N 408.410 2.849 10 40 HFCB Cc1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 872750 UNQUTYQEENFINP-UHFFFAOYSA-N 405.479 2.943 10 40 HFCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(C(C)=O)c4ccccc34)C2=O)c1 1515788 KYQGBDRYIVPTKL-ZDLGFXPLSA-N 403.394 2.976 10 40 HFCB CCN1C(=O)C(=Cc2ccccc2I)C(=O)N(CC)C1=S 59475494 UOPDTFXCXQSRCW-UHFFFAOYSA-N 414.268 2.670 10 40 HFCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 103918244 STYXPFUIQUSLPR-SILNSSARSA-N 415.494 2.683 10 40 HFCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409228524 BDMFXFFZAQVGJI-HNEYUBDGSA-N 420.487 2.520 10 40 HFCB CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)c2nc3ccccc3nc21 12854488 OPMFTCIQPCLIGP-VAWYXSNFSA-N 411.469 2.766 10 40 HFCB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)cc(Br)c1O 16606766 XUHWBBMNKLFBAT-SNVBAGLBSA-N 420.057 2.718 10 40 HFCB COC(=O)c1ccc(Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)o1 409391706 JNWSIVGUVVNDTI-UHFFFAOYSA-N 421.409 2.503 10 40 HFCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1 3405567 SEIRIORAKLJVPS-UHFFFAOYSA-N 405.410 2.861 10 40 HFCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1OC 4690138 CURYENUZLBGLCE-BOPFTXTBSA-N 410.426 2.852 10 40 HFCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(I)o1 4783802 UDEPJIDOLZBNTB-DHZHZOJOSA-N 414.199 2.679 10 40 HFCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNCc3ccncc3)c2oc1=O 20624266 HRVPJLZHIDOLAH-UHFFFAOYSA-N 402.834 2.861 10 40 HFCB COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)cc1 6549289 AZLKIPASOMAJCN-NRFANRHFSA-N 413.493 2.938 10 40 HFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1\SC(=S)N(N2CCOCC2)C1=O 102738494 BFLVYAANGAMBTB-ZROIWOOFSA-N 421.475 2.542 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 409389987 DCIMBYWBULFYKJ-LFIBNONCSA-N 403.350 2.706 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 13943642 XCZRHKFNZLSPJG-ZSOIEALJSA-N 416.430 2.683 10 40 HFCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 14853780 HZJYWKJPLISOMM-UHFFFAOYSA-N 415.501 2.733 10 40 HFCB Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)no1 84281443 HHISCKVZKRJOFP-DOTOQJQBSA-N 421.544 2.852 10 40 HFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 2305108 HWQNNSWVSQPUFR-BOPFTXTBSA-N 419.462 2.646 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1 4859893 HVBWMXJFAXKJGL-JVVDOCDTSA-N 408.410 2.822 10 40 HFCB COc1ccc(COC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(N(C)C)cc2)cc1 4884662 MELKNYMJVGXNTO-FQEVSTJZSA-N 420.473 2.780 10 40 HFCB CCc1ccc(OCCCN/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 6843862 AEWFOYQTXDTLTB-HKWRFOASSA-N 407.470 2.770 10 40 HFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)O 33475816 ATPOBCWZLSCBCY-PDGQHHTCSA-N 422.437 2.739 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4ncccc4c3)CC2)cc1 72274820 PUFQGLXIIGDPLL-UHFFFAOYSA-N 405.454 2.749 10 40 HFCB Cn1nccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96114203 KYQONERFOFEQNT-NSHDSACASA-N 420.377 2.751 10 40 HFCB biogenic COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccccc1 17093016 WIDNPWOALUWZAV-QNGOZBTKSA-N 422.441 2.967 10 40 HFCB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 19718574 QBMDQHCRESZJGT-INIZCTEOSA-N 422.533 2.772 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 409215589 BWVDHYRYYRYFBT-XMHGGMMESA-N 419.437 2.740 10 40 HFCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 101036553 CJFDSKPFYYILOO-ATVHPVEESA-N 408.458 2.771 10 40 HFCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1NC(=O)c1ccccc1 409200415 ICOALYOQDKIVNB-OQLLNIDSSA-N 415.496 2.775 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 35597237 FWYZXAWXZMHXLS-HXUWFJFHSA-N 424.501 2.603 10 40 HFCB Cc1ccc(C)n1-c1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21 5346492 JZYPWHZNBRGJQZ-IBGZPJMESA-N 406.486 2.656 10 40 HFCB Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cnn(C)c4)C3=O)c2C)c1 89686083 RFQTUEQPECHGEJ-QHCPKHFHSA-N 419.485 2.786 10 40 HFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408835367 XHWBTVNRQMLQNF-CTFRJJSNSA-N 420.465 2.903 10 40 HFCB NC(=O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 12273939 KBONXUHPVACOBV-QIMWGGGBSA-N 419.311 2.913 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409392822 NUFCSDWUABSSEJ-PTNGSMBKSA-N 404.338 2.916 10 40 HFCB COc1ccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)cc1 36365648 KYHXIQSOKAVRCI-OAQYLSRUSA-N 423.469 2.833 10 40 HFCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NN2CCN(C)CC2)cc1 17093588 ROFNSXOJGAWMNS-PGMHBOJBSA-N 423.492 2.611 10 40 HFCB O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1ccc(O)cc1 54361127 JTNVYKYTHAGITC-YBEGLDIGSA-N 408.464 2.882 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1F 13668449 PGIDHRDOKLOSOX-UHFFFAOYSA-N 419.522 2.898 10 40 HFCB CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)CC1 20358297 IOCWTRVEFHSTBU-UHFFFAOYSA-N 408.454 2.684 10 40 HFCB biogenic CCOC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccc(N(C)C)cc1 27300867 LNJLAAYSWSAWKO-NWDGAFQWSA-N 401.414 2.685 10 40 HFCB Cn1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cn1 96114707 VBIIPPAAVOBOMA-LBPRGKRZSA-N 420.377 2.751 10 40 HFCB biogenic COCCN1C(=O)[C@@H](Cc2cc(Br)c(OC)c(OC)c2)SC1=S 409147813 ZLHNUOCUXXHYOX-GFCCVEGCSA-N 420.350 2.884 10 40 HFCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3F)N3CCCC3)ccc21 8800948 UQSSKXBCDAYVHF-HXUWFJFHSA-N 403.523 2.933 10 40 HFCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964053 MUHOVYKMGORDNB-QFIPXVFZSA-N 406.530 2.879 10 40 HFCB CC1(C)C[C@@H](O)C[C@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 19832588 LMGUPZRPNJYARL-ASPMODFSSA-N 419.909 2.974 10 40 HFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798831 KZPOXEKQZXISCI-OAQYLSRUSA-N 403.548 2.659 10 40 HFCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCN3CCOCC3)C2=O)cc1 19921413 FVNCHDQDIXZGEG-PYCFMQQDSA-N 420.513 2.642 10 40 HFCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1OC 1236989 OEDRZBWUNRSDGN-XNTDXEJSSA-N 416.480 2.956 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCCC3)ccc21 13007899 OUJDBKZKTLHHTI-JOCHJYFZSA-N 412.578 2.771 10 40 HFCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408773196 HHQMEPXILDPPJL-CTFRJJSNSA-N 420.465 2.985 10 40 HFCB COc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4163979 JKCZWIPVAFHEQT-SFHVURJKSA-N 402.516 2.591 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCCn1ccnc1 9187742 GRYLBHRYHQTNCH-GDNBJRDFSA-N 420.947 2.944 10 40 HFCB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Oc1nc(Cl)ncc1F 409007624 PXACNJVYYYDLPZ-UHFFFAOYSA-N 420.784 2.504 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 15034700 PBJGUQKNXMRPDS-CKXDQPNJSA-N 408.501 2.662 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccccc4)CC3)c2oc1=O 95472189 BBCFPCMMXHEPFN-UHFFFAOYSA-N 422.481 2.845 10 40 HFCB CCN1C(=O)C(=Cc2cc(C)n(NC(=O)c3ccccc3)c2C)C(=O)N(CC)C1=S 409203328 VPGJFAQAWGZOHU-UHFFFAOYSA-N 424.526 2.868 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc1OC 4140151 NTEPGJXULAFPAQ-GDNBJRDFSA-N 415.496 2.939 10 40 HFCB COc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=S 409213928 VKGAONTYECNMMR-YBEGLDIGSA-N 400.481 2.965 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 9332709 MRMFZUZPRAVBPH-OVCLIPMQSA-N 414.389 2.514 10 40 HFCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1 1251286 FGRKNUITDIKUOP-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cn2cncn2)cc1 9344281 QCOVGHWUXSLCFL-MFOYZWKCSA-N 422.832 2.559 10 40 HFCB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)cc1 20605092 WMMPGJFLDAWZAS-UHFFFAOYSA-N 424.497 2.593 10 40 HFCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC 408937788 OUPBKYJZKQLSNH-XNTDXEJSSA-N 411.370 2.669 10 40 HFCB COc1ccc(N2CCC(O)(CN3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)cc1 585284681 VAXZJSSJZBITHE-UNMCSNQZSA-N 401.551 2.550 10 40 HFCB COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139394 XEKAJPRHQWOLSZ-UHFFFAOYSA-N 403.685 2.710 10 40 HFCB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1cccc(Cl)c1 979583 LCUPJECXXCLKOX-UHFFFAOYSA-N 402.859 2.842 10 40 HFCB CCOC(=O)c1oc2ccccc2c1NC=C1C(=O)N(CC)C(=S)N(CC)C1=O 8484631 YKVOGJATEYSCBW-UHFFFAOYSA-N 415.471 2.901 10 40 HFCB CCOC(=O)Nc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cs1 12440450 ONZSLJLNBITCIH-UHFFFAOYSA-N 404.492 2.611 10 40 HFCB O=C1/C(=C\c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 33540077 QDLMRDQREGIDLX-DSQDWWTGSA-N 408.520 2.790 10 40 HFCB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(C)=O)N2c4ccc(OC)cc4C=C[C@H]32)cc1 103461748 BMVXYLWZOGBKRZ-MBDNFAEBSA-N 418.449 2.683 10 40 HFCB COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c1 5357898 ANTFOQPQDFYAGH-GDNBJRDFSA-N 403.232 2.928 10 40 HFCB C[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2cccs2)SC1=S 6660322 JXFKLBIEOPUJLI-HLVNSREUSA-N 406.558 2.741 10 40 HFCB COc1cc(OC)c([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 31438674 CURGVCDXVHAOOH-NRFANRHFSA-N 403.431 2.568 10 40 HFCB CC(=O)Nc1nn(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c(=S)s1 5613372 LJWPMLSVICTMSW-UHFFFAOYSA-N 400.290 2.882 10 40 HFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)cc3)C1=O)OCO2 409113156 GWMMKTMWZDSUMJ-NVNXTCNLSA-N 410.451 2.954 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c1 6661079 ZTFPZJLQHQBUDH-ZKMNFCBKSA-N 420.556 2.660 10 40 HFCB COc1ccc(N2CCC(O)(CN3CCC[C@@H]4[C@H]3CCCCN4C(C)=O)CC2)cc1 585283429 OGKWUMGCSFVDSW-DHIUTWEWSA-N 415.578 2.892 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2n1 4570520 JSVVSLZATDTHTJ-UHFFFAOYSA-N 400.512 2.676 10 40 HFCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409229551 QYBJEMZUDNLGIW-JYRVWZFOSA-N 415.247 2.577 10 40 HFCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9376938 QADRYKNRKNWYDF-QHCPKHFHSA-N 423.469 2.769 10 40 HFCB CCOc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1OC 14199312 NOKRANJINZXMMV-SSZFMOIBSA-N 408.545 2.627 10 40 HFCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408778655 JPBBUTJIVUEDOD-ODLFYWEKSA-N 414.502 2.919 10 40 HFCB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 3617844 ZRNMMABCZPADSI-UHFFFAOYSA-N 416.437 2.869 10 40 HFCB CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O 6517615 HWVKYFWFFOPWBG-QGOAFFKASA-N 422.485 2.526 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2 12548786 PJXIAMDZVXMOTN-IRXDYDNUSA-N 406.438 2.957 10 40 HFCB COc1ccc2c(c1)CCCN2CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 12632727 UBWJLSIFZOSZCK-UHFFFAOYSA-N 411.458 2.957 10 40 HFCB O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 19877621 OGLWAABRBKSAOW-LZYBPNLTSA-N 423.425 2.696 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1 6660893 BQOFGKPHQYUFBI-VBKFSLOCSA-N 418.519 2.820 10 40 HFCB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409212002 LFWQMPYGWZTGLJ-AQTBWJFISA-N 417.531 2.784 10 40 HFCB COC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCCC2 937071 VTIXJXSDOKGGGF-OAHLLOKOSA-N 413.499 2.658 10 40 HFCB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670474 PQACPFBLDFRJOQ-RTWAWAEBSA-N 414.554 2.914 10 40 HFCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408588680 CHIHTNRIALROOY-XDHOZWIPSA-N 410.474 2.918 10 40 HFCB CCN(CCO)C(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 4174734 KUERDHJMZISURK-SSZFMOIBSA-N 408.545 2.517 10 40 HFCB O=C(CN1CC(=O)Oc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 4193801 KBCTUBGBGNJFAR-UHFFFAOYSA-N 412.401 2.826 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)N3CCCCC3)ccc21 9138035 VLNADFDRPJVKNW-QFIPXVFZSA-N 412.578 2.771 10 40 HFCB O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 48988543 OFRNIKJMHKVKRR-UHFFFAOYSA-N 406.410 2.590 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 260805387 CBBIXCPUUQSSCP-STQMWFEESA-N 423.564 2.772 10 40 HFCB CNC(=O)CN1CCC(NCc2cc(C)n(-c3ccc(F)c(F)c3F)c2C)CC1 30905409 JDRBXLZQAXNAFI-UHFFFAOYSA-N 408.468 2.811 10 40 HFCB NC(=O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1749884 LPUOPFKTYFMCIZ-VCJKKXKTSA-N 405.284 2.523 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CNC3CC(C)(C)NC(C)(C)C3)c2oc1=O 9305580 SANUAVIPBDZNIR-UHFFFAOYSA-N 416.518 2.921 10 40 HFCB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 408973692 OXQVWKPRNCOIDU-UHFFFAOYSA-N 419.777 2.951 10 40 HFCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 5489678 ZYXIUTUJWVOSDH-GZTJUZNOSA-N 411.389 2.577 10 40 HFCB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(O)c(O)c1 31746829 KNAOZPAYBLGSRG-UHFFFAOYSA-N 408.501 2.642 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1 13689798 FGRKNUITDIKUOP-YBEGLDIGSA-N 416.480 2.956 10 40 HFCB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 33323832 VQNITLUVCOFHPJ-SAPNQHFASA-N 403.573 2.614 10 40 HFCB O=C1N=C(O)/C(=C/NNC(=S)Nc2ccccc2)C(=O)N1Cc1ccc(F)cc1 38162986 WYRAPMJPTMATTR-GDNBJRDFSA-N 413.434 2.620 10 40 HFCB CC[C@@H](C)N1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C(=O)N=C1S 6554857 IMXFDEVFVAWBFL-COOUDCDJSA-N 412.515 2.683 10 40 HFCB CCc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 9311461 MPJDNUYJFTXQPH-CYUIRQCWSA-N 424.478 2.932 10 40 HFCB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24052028 PEJBVGPQUVIXLE-UHFFFAOYSA-N 422.572 2.901 10 40 HFCB COc1ccccc1N/C=C1/C(=O)N(c2ccc3nnc(C(F)(F)F)n3n2)N=C1C 101644618 VSLOMEAMLLSCGC-PKNBQFBNSA-N 417.351 2.870 10 40 HFCB COc1ccc(N2CCN(CC[C@@H]3Oc4cc([N+](=O)[O-])ccc4NC3=O)CC2)cc1 4053875 QEXFPEMHAAJAIU-IBGZPJMESA-N 412.446 2.515 10 40 HFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 8753610 NMJSKRGHXFRERG-JRZFIGEHSA-N 416.274 2.578 10 40 HFCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 9209795 FCONWDZMVBEUNZ-KBQFJHCTSA-N 424.530 2.774 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)c3ccc4c(c3)OCO4)N3CCOCC3)ccc21 13008361 KEVVYNAPFJCWGY-OAQYLSRUSA-N 423.513 2.601 10 40 HFCB COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=O)c1Cc1ccccc1 22448618 WYNMDQQIBKPDDL-UHFFFAOYSA-N 420.513 2.842 10 40 HFCB Cc1nn(C)c(C)c1/C=C1\SC(N2CCN(Cc3ccc(F)cc3)CC2)=NC1=O 36621410 ZLMUEOUYCGMKCM-UNOMPAQXSA-N 413.522 2.964 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c(C)c1 12362899 ZTORDMOINPMZIK-FMNVXAMXSA-N 424.478 2.987 10 40 HFCB COC(=O)c1ccsc1N/C=C1/C(=O)N(Cc2ccco2)C(=O)N(C(C)C)C1=O 18212365 IGFKSMGRGIRCLG-ZROIWOOFSA-N 417.443 2.823 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)s1 222696462 RGLNCNWCSFEACB-UHFFFAOYSA-N 402.457 2.528 10 40 HFCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NN2CCOCC2)cc1 17088464 OLGDYIWNCFDSMX-HKWRFOASSA-N 410.449 2.696 10 40 HFCB COc1ccc(N2CCN([C@@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)cc1 36360054 LYZNNNPGUCUSHT-OAQYLSRUSA-N 423.469 2.833 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 408785006 FGZGHIKDPWYPAO-OQLLNIDSSA-N 414.801 2.940 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)cc1 409022840 ULBFRSGYZSKSHB-CPNJWEJPSA-N 403.394 2.858 10 40 HFCB O=C1CN(Cc2cccc(F)c2O)Cc2ccc(C(=O)O)cc2OCCCCCN1 643574874 XFJQGMFOLFQXLX-UHFFFAOYSA-N 416.449 2.911 10 40 HFCB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N\C(N)=S)cc1)/N=N\C(N)=S 18068620 FLTJTMPAKBGLRM-AJDAAHBYSA-N 422.540 2.512 10 40 HFCB O=C1NC(=S)S/C1=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408898985 YVQPSVNQYMFRNP-LCYFTJDESA-N 422.465 2.851 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 33590084 PRGIOMDFWSHPTC-NTUHNPAUSA-N 404.425 2.523 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)Cc3noc4ccccc34)CC2)cc1 32764264 PIKZKNIUTYATTR-UHFFFAOYSA-N 408.502 2.707 10 40 HFCB CN1CCCc2cc(CN3[C@@H]4CC[C@@H]3c3cnc(N5CCOCC5)nc3C4)ccc21 100116774 PIGPNSILCFIIPA-AUSIDOKSSA-N 405.546 2.957 10 40 HFCB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C/N=N\c1ccccc1)OC(C)=O 104389824 FEDNZHOZZFZXGV-RVAHTOQTSA-N 420.418 2.642 10 40 HFCB CNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 24781935 SIIKWMVKLDTKAG-UHFFFAOYSA-N 411.502 2.506 10 40 HFCB COc1ccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 6230241 WNHHXAJSISBSHQ-VMPITWQZSA-N 412.402 2.874 10 40 HFCB COc1ccc(N2CCN(C(=O)Cc3c(C)c4ccc(O)cc4oc3=O)CC2)cc1 8764283 KEIFSKZJSOEXHX-UHFFFAOYSA-N 408.454 2.707 10 40 HFCB biogenic CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 8703981 WDNNGLXQACFNOP-UHFFFAOYSA-N 418.515 2.505 10 40 HFCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccccc1F 33155041 UEEDHHDENHIKFB-UYRXBGFRSA-N 408.433 2.957 10 40 HFCB COc1ccc2c(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)c[nH]c2c1 51330866 FRPXQEFBXYYSHJ-KKMLBMJLSA-N 420.468 2.696 10 40 HFCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c(C)c1 8963978 LTAJMLMFAQRWOI-OAQYLSRUSA-N 408.546 2.962 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] 12371408 DLJOZXDQVVNKRO-DHZHZOJOSA-N 401.762 2.923 10 40 HFCB CN1CCCc2cc(/C=C3\SC(=S)N(CCCN4CCOCC4)C3=O)ccc21 52221366 JRTMSHPNRSFKON-CYVLTUHYSA-N 417.600 2.993 10 40 HFCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1C 223688311 MDSRPEIGNCIJBJ-UHFFFAOYSA-N 403.548 2.542 10 40 HFCB CCOC(=O)C1CCN(C(=O)/C(=C\c2ccc(N(C)C)cc2)n2ccccc2=O)CC1 9435179 ITIWUYVKSSYFFE-HEHNFIMWSA-N 423.513 2.714 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O 408911087 MVYOIAGNSRQGGN-AWNIVKPZSA-N 415.333 2.505 10 40 HFCB CNS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 100931036 RROSEYAWPRKHTQ-GZTJUZNOSA-N 404.879 2.967 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4ncsc4c3)CC2)cc1 3555670 PRNAMRXVAWXOSP-UHFFFAOYSA-N 411.483 2.811 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCOCC3)ccc21 22733467 FOHIFFWJQFBBDG-NRFANRHFSA-N 401.457 2.760 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)=O 408531856 HJTQJIUJQMFPJL-WJDWOHSUSA-N 408.410 2.985 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 408740289 JVEMYQRQHSIPFG-NTEUORMPSA-N 401.762 2.923 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 409016723 VMPYWUFAKHLKOP-RKPNYOAGSA-N 424.409 2.522 10 40 HFCB COc1ccc2c3c(n(CCSCCO)c(=O)c2c1OC)-c1ccccc1C3=O 604404788 LAVOJTLVVJRURU-UHFFFAOYSA-N 411.479 2.956 10 40 HFCB biogenic COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 13683445 PBZCXNRWNSWAGJ-INIZCTEOSA-N 406.486 2.644 10 40 HFCB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(Cc3cc(C)cc(C)c3O)CC[C@@H]12 1565552149 PIIYOPPKUBVCOI-NJYVYQBISA-N 404.551 2.731 10 40 HFCB CN1CCN(c2ccc(CNC(=O)c3cc(C4CC4)nc4c3cnn4C)cc2)CC1 36616595 UZQGRTFIXKMUIO-UHFFFAOYSA-N 404.518 2.528 10 40 HFCB COc1ccc2c3c(n(CCN4CCOCC4)c(=O)c2c1OC)-c1ccccc1C3=O 604405233 XOYWPMSVXBBLJE-UHFFFAOYSA-N 420.465 2.562 10 40 HFCB biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCCCC3)nc12 12463160 QIQNJJXGQFABPW-KAMYIIQDSA-N 400.529 2.824 10 40 HFCB O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1cccc(O)c1 54361128 VHFDYQGIIDNXHR-SXGWCWSVSA-N 408.464 2.882 10 40 HFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 409098080 KATAHNSMEYFCGM-XSFVSMFZSA-N 421.453 2.588 10 40 HFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=N)N21 4971114 YPSCEFIJMNAXKT-LITBSJMGSA-N 400.441 2.568 10 40 HFCB COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)N=C(O)N(c2ccccc2F)C1=O 8742774 GLNWIFZCBLVKNI-JLHYYAGUSA-N 407.357 2.964 10 40 HFCB O=C1CN(c2ccc(CNc3ccccc3S(=O)(=O)C(F)(F)F)cc2)CCN1 48324300 CJOYUHAKJNEHDQ-UHFFFAOYSA-N 413.421 2.528 10 40 HFCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4cc(OC)ccc4N2[C@H]3C(C)=O)cc1 103461751 BMVXYLWZOGBKRZ-MLNNCEHLSA-N 418.449 2.683 10 40 HFCB CN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S 408917027 LAORUAZYTBADCZ-GZTJUZNOSA-N 418.478 2.537 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1OC 27530637 GAJPREKXGGGLDR-CXUHLZMHSA-N 415.496 2.939 10 40 HFCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408997072 QQCCOYHUKNQJMM-UHFFFAOYSA-N 415.833 2.880 10 40 HFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3F)C1=O)OCO2 409096686 KQPUAAVQCVNBGZ-GHXNOFRVSA-N 414.414 2.784 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N(C)C)ccc21 13008678 UIDKPROYHUNCCR-OAQYLSRUSA-N 400.567 2.627 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1 13632079 INOMTMRSVFEMSC-UHFFFAOYSA-N 423.485 2.647 10 40 HFCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408784018 RMLAOQOPKQTRQI-MHWRWJLKSA-N 414.801 2.558 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)O 409236224 FDJFIHNRRYRAQS-KWWJGWKXSA-N 424.409 2.522 10 40 HFCB COc1ccc(N2CCN(CC[C@@H]3Oc4ccc([N+](=O)[O-])cc4NC3=O)CC2)cc1 1399540 WOURLHRFNVFMPF-FQEVSTJZSA-N 412.446 2.515 10 40 HFCB O=C(O)C1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)CC1 33545316 JPEDSAOXLAUJAO-RVDMUPIBSA-N 422.503 2.740 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)s1 225876095 QNOSTHOPFYOQNC-LBPRGKRZSA-N 409.537 2.526 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)c1 409190569 ZRHLLULZZNZVTP-MPMPPSQCSA-N 408.410 2.822 10 40 HFCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589099 JDJACADOKJBXLQ-QFIPXVFZSA-N 410.562 2.870 10 40 HFCB COc1ccc(N2CCN(C(=O)CNc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 48332222 FNFITLLXCFYKNR-UHFFFAOYSA-N 405.401 2.777 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(F)ccc3Cl)CC2)cc1 72330158 VFZGCYDUKZDMGL-UHFFFAOYSA-N 406.841 2.993 10 40 HFCB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008683 CLLSGVNYTPZZDL-QFIPXVFZSA-N 408.546 2.989 10 40 HFCB CC(=O)N(c1cccc(Cl)c1)c1nc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cs1 15189174 SUJUBZQCARZYAE-UHFFFAOYSA-N 418.862 2.915 10 40 HFCB CCCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C)C2 17270491 STFBPFMHNNBXNR-SNVBAGLBSA-N 421.544 2.657 10 40 HFCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)cc1 22666047 HSQCDYPWRWHACZ-LJQANCHMSA-N 423.966 2.758 10 40 HFCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Cl)cc3)C(=O)N=C2S1 41085285 JDOJSTVGILXEMH-NOOFILGISA-N 410.908 2.987 10 40 HFCB CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963883 YAKOQWZXMCQHPS-HXUWFJFHSA-N 412.559 2.758 10 40 HFCB O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1CCCN1CCOCC1 13683956 BXABVGQUIBFNRB-SFQUDFHCSA-N 400.529 2.553 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(Cc3ccccc3F)c(Br)c2)C(=O)N1 408877903 XVTYMIYCGSDXJR-UHFFFAOYSA-N 403.207 2.928 10 40 HFCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5340633 UEVDVBYHWGZWRD-QFIPXVFZSA-N 408.546 2.631 10 40 HFCB CC(C)[C@@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccco2)SC1=S 6907162 YIILIHXGRPELRG-OWTLUSIOSA-N 404.517 2.587 10 40 HFCB COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3cccc(-c4cc[nH]n4)n3)C2)cc1 257231829 GIIHJBAJCSTRNV-QFIPXVFZSA-N 421.501 2.907 10 40 HFCB COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(=O)O 409129571 HDUZYAYYUXVSIH-YBEGLDIGSA-N 412.423 2.559 10 40 HFCB COc1ccc2c3c(n(CC(=O)NC(C)C)c(=O)c2c1OC)-c1ccccc1C3=O 604403904 DBWJAJDKBYUXOH-UHFFFAOYSA-N 406.438 2.755 10 40 HFCB biogenic COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC 4739018 MIDSIKVVOMRONS-WQLSENKSSA-N 416.430 2.683 10 40 HFCB Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 12543921 ONHUZEMOFAVZPQ-UHFFFAOYSA-N 409.486 2.560 10 40 HFCB Cc1cc2nc(C3CCN(Cc4ccc(N5CCOCC5)cc4)CC3)cc(N)n2n1 72337307 YCPXMWGUXYYYJZ-UHFFFAOYSA-N 406.534 2.836 10 40 HFCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 104799717 NABMXGBJXKHHPX-QGOAFFKASA-N 423.425 2.841 10 40 HFCB COc1ccc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 8028533 SPTJYQMYPYXZDT-UHFFFAOYSA-N 420.513 2.761 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 33536988 METONLWYDCZGQB-OVCLIPMQSA-N 414.464 2.930 10 40 HFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(I)cc1 408742032 UKXJVWPIGRALTE-GXDHUFHOSA-N 418.190 2.958 10 40 HFCB CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4116898 XYGRBMNOQNLRAZ-HXUWFJFHSA-N 416.543 2.981 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)CSc3ccccc3)CC2)cc1 4893994 VUPMQBYJAHOHLE-UHFFFAOYSA-N 400.500 2.679 10 40 HFCB O=C(NC[C@@H]1CCCNC1)c1cnn2c(O)cc(CCc3cccc(Cl)c3)nc12 257283294 OXROPMXTKKEKFL-OAHLLOKOSA-N 413.909 2.603 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Br)o3)CC2)cc1 3555482 BZHWKXJLGDEUHU-UHFFFAOYSA-N 423.263 2.556 10 40 HFCB CCCOc1c(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 3570195 SGXRSDPVVJUWIL-UHFFFAOYSA-N 411.252 2.680 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 409125101 CAQFJOLOSMSCJR-SFQUDFHCSA-N 409.417 2.637 10 40 HFCB COc1cccc(/C=C2\SC(NNc3nc(C)c(C(C)=O)s3)=NC2=O)c1O 3593517 VDFVWDUGQMWNGL-GHXNOFRVSA-N 404.473 2.955 10 40 HFCB COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N=C(O)N(Cc2ccc(F)cc2)C1=O 17044028 CCAKQCFQNBTLBJ-YBEGLDIGSA-N 421.384 2.960 10 40 HFCB COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nnc(C)s1 44085952 LJIUMDBOFBFDOX-UHFFFAOYSA-N 403.489 2.614 10 40 HFCB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1 409011431 NJSAAFFHGSKOTC-UHFFFAOYSA-N 411.410 2.932 10 40 HFCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)O 409190747 QLNIVCSIJXJJDZ-HGLKBHAMSA-N 414.801 2.858 10 40 HFCB CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)c1 985999 KZCSHZIEENIVTI-NRFANRHFSA-N 409.486 2.548 10 40 HFCB COc1cc([C@@H]2C(=O)c3cc(OC)c(OC)c(OC)c3C2=O)cc(OC)c1OC 100240774 OZDSBQZZIMORKZ-OAHLLOKOSA-N 402.399 2.901 10 40 HFCB biogenic,in-vitro COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1OC 409023527 XXNCKLIMYHAWHM-NTEUORMPSA-N 416.430 2.683 10 40 HFCB CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S 409125896 GDJQWSZPJUZAOJ-DUPVFGOHSA-N 415.540 2.768 10 40 HFCB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 15135075 KWQISRNVLYLZSA-UHFFFAOYSA-N 403.548 2.663 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1 408855895 OQIBCADGIBQBDN-RIYZIHGNSA-N 414.801 2.778 10 40 HFCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCN1C(=O)NC(C)(C)C1=O 12535635 PIONDNYINWWOPS-UHFFFAOYSA-N 416.503 2.764 10 40 HFCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733541 SWIZDSHDAJNQCQ-QFIPXVFZSA-N 409.530 2.556 10 40 HFCB COc1ccc(N2CCN(Cn3nnn(-c4ccc(OC)cc4)c3=S)CC2)cc1 56552764 LHHIGJMFJBIJKI-UHFFFAOYSA-N 412.519 2.595 10 40 HFCB COc1cc(OC(=O)c2ccco2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 1505840496 FIVYFZCJAGNYFB-ATVHPVEESA-N 404.378 2.969 10 40 HFCB CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C/Nc1ccc(Br)cc1F 101061320 IIRSYKNWMDOUJW-YRNVUSSQSA-N 416.214 2.744 10 40 HFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)[nH]c2ccccc12 2368133 ZSXIMKVUMTUPTD-AQTBWJFISA-N 416.437 2.513 10 40 HFCB O=C1CSC(=S)N1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 3203981 XIERHYHZBJRMTK-OWCVQMPJSA-N 406.488 2.654 10 40 HFCB NC(=O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 12273940 KBONXUHPVACOBV-KMFOOYFMSA-N 419.311 2.913 10 40 HFCB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2c1 41084323 FXRNXIXEBVFKDD-SRRKIXIOSA-N 408.487 2.694 10 40 HFCB Nn1c(Cc2ccccc2F)nnc1SCc1cc(=O)oc2cc(O)c(O)cc12 3310473 CBQWSABZWIYVAB-UHFFFAOYSA-N 414.418 2.532 10 40 HFCB CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 5485884 OWVMEBXLNSELIC-LJQANCHMSA-N 416.543 2.981 10 40 HFCB COc1ccc(-c2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20437974 VBTWBIDBUALKNB-UHFFFAOYSA-N 424.497 2.593 10 40 HFCB biogenic COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 18067276 YQJFOUSSQAUVOY-RGEXLXHISA-N 408.414 2.679 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC(C)(C)C)N2CCc3ccccc3C2)cc1 35392522 AISVTHSJEUGKQI-QFIPXVFZSA-N 422.573 2.883 10 40 HFCB CC1CCN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)CC1 72347352 AZZAQRSVHXMUGF-UHFFFAOYSA-N 423.561 2.813 10 40 HFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 107650255 ZZQUYOGBIPJVKK-WDZFZDKYSA-N 404.176 2.524 10 40 HFCB CN([C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 260800750 WIHHNEBIHLIPPY-NRFANRHFSA-N 415.559 2.926 10 40 HFCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409394358 ZIXJMINZMCHVFD-SFQUDFHCSA-N 417.377 2.795 10 40 HFCB CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 96265422 HHNTYTKYFQFYRK-WJDWOHSUSA-N 413.430 2.746 10 40 HFCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 13008567 PUYHTUUHHXMYOP-NRFANRHFSA-N 424.545 2.744 10 40 HFCB O=C(CCN1C(=O)/C(=C/C=C\c2ccco2)SC1=S)NCCCn1ccnc1 33548202 SIHRKQCIUFQQDT-ADOWSRIUSA-N 416.528 2.830 10 40 HFCB COc1ccc(N2CCN([C@@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)cc1 36359015 KVTUBALDTLRWCK-JOCHJYFZSA-N 423.469 2.682 10 40 HFCB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 59417351 BNNLZAISKUAWLJ-RIYZIHGNSA-N 414.805 2.981 10 40 HFCB Cc1noc(NS(=O)(=O)c2ccc(/N=N\[C@@H]3SC(=S)NC3=O)cc2)c1C 104123420 MUOBPHAKYOZZBA-VLUKHXRESA-N 411.490 2.650 10 40 HFCB COc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 5191481 KSWLGYANYAPQKQ-XGXACIPPSA-N 411.487 2.717 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1Cl 8964001 VCXPLLIARHAJPB-FQEVSTJZSA-N 414.937 2.998 10 40 HFCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 60257791 DHRRDDLXFFPRMV-AMGRQBIBSA-N 406.376 2.522 10 40 HFCB in-vitro COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5ccccc5nc4s3)CC2)cc1 96347279 CMHZJFYUNBUCAJ-UHFFFAOYSA-N 420.494 2.880 10 40 HFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(S(N)(=O)=O)cc1 102882473 GCURYVYWVLUKOJ-QGOAFFKASA-N 416.478 2.650 10 40 HFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 408986545 MWRIAUQRESAHES-UYRXBGFRSA-N 422.437 2.857 10 40 HFCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1Cl 408991188 NGIPLJACEFJEAF-NVNXTCNLSA-N 415.833 2.626 10 40 HFCB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5205283 FZCBKJXCTFHHFS-CYBMUJFWSA-N 402.406 2.985 10 40 HFCB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(N(C)C)cc1 20636789 IDELCLPBTHLVKP-RTWAWAEBSA-N 420.513 2.517 10 40 HFCB CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733439 QPYZUYSFOYRANU-QHCPKHFHSA-N 409.530 2.881 10 40 HFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409141372 VCEXGTZREPMPSY-OMCISZLKSA-N 400.412 2.944 10 40 HFCB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350371 FCBJKABXCDOTCJ-JOCHJYFZSA-N 408.546 2.745 10 40 HFCB C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 19831480 VCKVUEVUZHRPNV-VKDGWMQASA-N 416.433 2.839 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 59502705 PYWMGKWBNJQQHX-JYRVWZFOSA-N 401.762 2.923 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)S1 409082294 PRMSDNIFAMSYCP-WJDWOHSUSA-N 402.453 2.561 10 40 HFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)CC1 5598164 CUKKELNXCYIUHX-SFQUDFHCSA-N 404.488 2.949 10 40 HFCB CN(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 4116637 XNCQGBUYALYWMM-MDZRGWNJSA-N 407.392 2.857 10 40 HFCB COc1ccc2c(/C=C3/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)c[nH]c2c1 9576357 FRPXQEFBXYYSHJ-VYAXBHEWSA-N 420.468 2.696 10 40 HFCB COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(N2CCOCC2)C1=O 13735282 BFLVYAANGAMBTB-NTEUORMPSA-N 421.475 2.542 10 40 HFCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O 96446217 ADUXQQWRCAKSLW-MHWRWJLKSA-N 400.481 2.965 10 40 HFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1C 8798837 OWKZSFRVVAHGCP-OAQYLSRUSA-N 417.575 2.967 10 40 HFCB CN(C)c1ccc([C@H]2C/C(=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)NN2)cc1 8997095 GZOSRQDSQMMEIM-OTZFSBHDSA-N 409.421 2.808 10 40 HFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC(C)C 16575577 LGNMSCUSUSIEJT-UHFFFAOYSA-N 411.252 2.679 10 40 HFCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCC1 33545586 FQFJQAFQPDQAOB-WJDWOHSUSA-N 406.529 2.918 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 100223895 USWMDMFBKOEGGC-XFNCEPBJSA-N 422.441 2.539 10 40 HFCB O=C1/C(=C/N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1C1CCCC1 100788625 ZTSUMHXBMLBMSL-BZDXGLJRSA-N 401.557 2.912 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1 104315446 BXNHLUPSDGPLCF-OAFDPHIXSA-N 421.413 2.919 10 40 HFCB COc1cc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1 12363823 JAXCMEZYKRWCHL-RAXLEYEMSA-N 416.430 2.683 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N3CCCCC3)ccc21 13008051 HNSQEOKSGHZIFO-QFIPXVFZSA-N 406.530 2.961 10 40 HFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N2CCc3ccccc32)cc1 5350382 RYHJNUWXBAVGAW-OAQYLSRUSA-N 408.546 2.887 10 40 HFCB COc1cc(NS(=O)(=O)c2ccc(NCc3ccccc3O)cc2)nc(OC)n1 4384949 MZRFWNKMIRHJSC-UHFFFAOYSA-N 416.459 2.612 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N(CCO)Cc1ccccc1 4745552 RHZBJLSKOPNTOZ-GHRIWEEISA-N 416.524 2.892 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 222929389 OFNHEJIDIVPJLE-UHFFFAOYSA-N 419.547 2.624 10 40 HFCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)O)C(=O)NC1=S 409194595 PMLRLEHNQBJMHG-HKJJFUAXSA-N 424.478 2.932 10 40 HFCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Br)cc1O 409340457 XNOHBHFUFOPUAW-NYYWCZLTSA-N 418.290 2.839 10 40 HFCB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 5164256 OGKHASWCMYBRRO-ILPOUQNUSA-N 404.495 2.944 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCC3)ccc21 8964131 GTOPPTKPSZJHLZ-JOCHJYFZSA-N 412.578 2.771 10 40 HFCB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33633337 KUGLCZWYCAYHLD-LUJRCDHRSA-N 424.453 2.877 10 40 HFCB Cc1c(/C=C2/C(=O)N(C)C(=O)N=C2O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 8739752 XRCKIUMZQDXNFP-MHWRWJLKSA-N 407.426 2.732 10 40 HFCB biogenic COc1ccccc1/C=C1\SC(=S)N(CC(=O)N2CCCC[C@H]2CCO)C1=O 6660839 WCWDCICKCNRQGK-ZKMNFCBKSA-N 420.556 2.660 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 409186342 ARQCXXINAIAPGO-XDHOZWIPSA-N 422.437 2.992 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3Cl)nnc2n1 4570516 RZKABVLCOJCRAU-UHFFFAOYSA-N 406.903 2.767 10 40 HFCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3Cl)C1=O)OCO2 409240101 JPRFKFBLPDJLHJ-IZZDOVSWSA-N 416.842 2.909 10 40 HFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Br)o1 409188961 LPCYIGIZUFDBGA-YRNVUSSQSA-N 421.228 2.572 10 40 HFCB COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccs3)C(C)C)CC2)cc1 8726267 RTQCKVLTSPFCOL-IBGZPJMESA-N 401.532 2.860 10 40 HFCB CC(C)OC(=O)Cn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 9234606 IYNXULKIPARLJF-CHHVJCJISA-N 418.496 2.879 10 40 HFCB Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 4739993 YNHQZMMVHVDVNH-MHWRWJLKSA-N 405.435 2.708 10 40 HFCB CN1CCN([C@@H](CNC(=O)NCc2cccs2)c2ccc3c(c2)CCN3C)CC1 36705430 YPJWFRNFBAZMCL-NRFANRHFSA-N 413.591 2.528 10 40 HFCB CCCN(Cc1ccccc1O)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 78725975 IECCYDDNOUIZOM-UHFFFAOYSA-N 406.866 2.971 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1 408817586 VWIHEXHQALQKLO-SFQUDFHCSA-N 408.410 2.927 10 40 HFCB CN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)CC1 20814705 QAZYEXLWIPDUQH-NTCAYCPXSA-N 409.964 2.705 10 40 HFCB CCN(CCNS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1O 72305015 KAQGBLJNNATNHW-UHFFFAOYSA-N 413.337 2.955 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374349 IXPGFCABLFXJAC-OYUORYAFSA-N 403.840 2.998 10 40 HFCB CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc1 13785818 LAJBCWWBHBMDDX-LDADJPATSA-N 424.482 2.787 10 40 HFCB CN1CCN([C@@H](CNC(=O)NCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 35597185 NSSGCRHUKNTJMR-DEOSSOPVSA-N 421.589 2.857 10 40 HFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 4704518 UBTJLZPSAPKKTE-KPKJPENVSA-N 405.179 2.960 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1 13713418 GFAQEWLGZRPEMR-YBEGLDIGSA-N 416.480 2.956 10 40 HFCB COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OC 24752429 BXXYVJQCWBPMOW-UHFFFAOYSA-N 420.896 2.530 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(C)c3C)nnc2n1 27525152 LXZGNEBESASCDN-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB O=c1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2c2c1CCC2 524730810 YFKGRARFJATMAK-CABCVRRESA-N 404.466 2.768 10 40 HFCB biogenic COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O 9188429 ADUXQQWRCAKSLW-YBEGLDIGSA-N 400.481 2.965 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)CC2)cc1 20459596 KVCUTFYIQORFEQ-UHFFFAOYSA-N 423.922 2.683 10 40 HFCB COc1ccc(N2CCN([C@H]3CCCN(Cc4cnc(SC)nc4)C3)CC2)cc1 23373399 YSWUDPQMVBVRPG-FQEVSTJZSA-N 413.591 2.994 10 40 HFCB O=C(Cc1ccccc1)NN1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S 8821655 CPKQAGOCWDMNRU-NXVVXOECSA-N 413.455 2.623 10 40 HFCB CCOc1ccc(O)c(CN2CCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)c1 19532566 IMODHYGWKBGNJT-LJQANCHMSA-N 412.490 2.528 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3ncc(Br)c3C3CC3)CC2)cc1 89444259 JTMQIYQGXCPMPT-UHFFFAOYSA-N 419.323 2.880 10 40 HFCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 4330491 CMTSXJMGOXKHTO-OAQYLSRUSA-N 410.518 2.653 10 40 HFCB CCn1cc([C@@H]2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 227173438 AICYBFFIASAEEB-FQEVSTJZSA-N 411.487 2.612 10 40 HFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 786788 QOROCAAFFQGSDW-GDNBJRDFSA-N 421.384 2.620 10 40 HFCB CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)c1 18323402 KZCSHZIEENIVTI-OAQYLSRUSA-N 409.486 2.548 10 40 HFCB Cn1c(=O)c2c(-c3ccc(F)cc3F)c3c(nc2n(C)c1=O)-c1ccccc1C3=O 44974127 QGHBOKZQVGWMCZ-UHFFFAOYSA-N 405.360 2.789 10 40 HFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] 409195704 VMYARUMJADKRRO-PVZSTHCMSA-N 423.406 2.681 10 40 HFCB CCN1C(=O)N=C(O)/C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1=O 5867609 UKSLSPHEWJIBSN-SFQUDFHCSA-N 408.458 2.976 10 40 HFCB CC(C)c1ccc(N2C(=O)/C(=C/NCCN3CCCCC3)C(=O)NC2=S)cc1 19995892 FDZUORHMEBHEDR-NBVRZTHBSA-N 400.548 2.517 10 40 HFCB COc1ccc(N2CCN(C(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)CC2)cc1 40140405 CLACAKSQJAZSAI-UHFFFAOYSA-N 424.476 2.662 10 40 HFCB CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963904 KLXIWJVXPZNIJN-IBGZPJMESA-N 412.559 2.758 10 40 HFCB O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 20058185 XUJDIFQXIKDNAI-UHFFFAOYSA-N 407.403 2.961 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1 33539711 MTBVITPHKYAJGU-YSKWHIJTSA-N 420.556 2.660 10 40 HFCB Cc1cc(C)cc(-n2c(C)cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c2C)c1 79018089 VUKMYSZQQPUVOT-UHFFFAOYSA-N 403.548 2.818 10 40 HFCB CCOC(=O)c1ccccc1NC(=O)C[C@H]1SC(=S)N(C[C@H]2CCCO2)C1=O 9025055 UREXJWUWWUOUPI-IUODEOHRSA-N 422.528 2.600 10 40 HFCB COc1ccc(N2CCN(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 56896019 BXRMUHJNJYNAEM-UHFFFAOYSA-N 420.513 2.606 10 40 HFCB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5205281 FZCBKJXCTFHHFS-ZDUSSCGKSA-N 402.406 2.985 10 40 HFCB CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1OC 5373746 ZCEIYXANMQLPRS-ZENNRRHLSA-N 411.501 2.521 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 33539710 MTBVITPHKYAJGU-YHZJOHHESA-N 420.556 2.660 10 40 HFCB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)cc(OC)c1O 408815421 HRHWYRRGOAKAFA-GFCCVEGCSA-N 401.282 2.519 10 40 HFCB Cc1cc(C(=O)CN2C[C@@H](C)C[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6587073 DXXAAVKRMCCEIV-GJZGRUSLSA-N 403.548 2.902 10 40 HFCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1NS(=O)(=O)c1ccccc1 8870266 LPCULTSNOQVFPX-GXDHUFHOSA-N 416.509 2.658 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 35597238 FWYZXAWXZMHXLS-FQEVSTJZSA-N 424.501 2.603 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 102945783 BXNHLUPSDGPLCF-SMIQVMJNSA-N 421.413 2.919 10 40 HFCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 5341028 DFHIRJDRNGXLOK-OAQYLSRUSA-N 410.518 2.653 10 40 HFCB COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22418615 BRVGMJBPIUTAQC-OAQYLSRUSA-N 411.550 2.871 10 40 HFCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc21 8826719 AMLGGCBIZZBTRI-UHFFFAOYSA-N 421.474 2.645 10 40 HFCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)c1 409190572 ZRHLLULZZNZVTP-SWEABUAFSA-N 408.410 2.822 10 40 HFCB O=C(O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 9264433 OGLWAABRBKSAOW-PXNMLYILSA-N 423.425 2.696 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC(C)(C)C)N2CCc3ccccc32)cc1 5350378 RYHJNUWXBAVGAW-NRFANRHFSA-N 408.546 2.887 10 40 HFCB Cc1ccc(O)c(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257321005 VZRIFVXNFAKQBE-OAQYLSRUSA-N 404.894 2.879 10 40 HFCB CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 12414051 BVZYEVLCTAOWRA-WDZFZDKYSA-N 401.307 2.801 10 40 HFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC(=O)c1cccc2ccccc12 408889266 BXVOORCGEAZHOZ-UHFFFAOYSA-N 416.389 2.817 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1 104315421 ARKXYEDTRSOTOI-QNBCRBJRSA-N 421.413 2.919 10 40 HFCB COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 1221287 MPAJEDFRQNXYTD-LFIBNONCSA-N 412.492 2.948 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(F)c1 10113592 KUUPAFKCVBPUDE-UHFFFAOYSA-N 405.495 2.508 10 40 HFCB COc1cc(OC)c([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 31438677 CURGVCDXVHAOOH-OAQYLSRUSA-N 403.431 2.568 10 40 HFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 108078793 MGSFIEZPZAVUEL-XFFZJAGNSA-N 419.821 2.952 10 40 HFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OCC)OCO4)C2=O)c1 409118070 OSZLRGAMJKNLGQ-PXNMLYILSA-N 424.409 2.879 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)C(C)C)C2=O)cc1 8870106 HEBCSOPWFCGOBY-HFQYIWAZSA-N 422.528 2.512 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)CSc2ccccc21 16134911 IYFNRRLFEMIJIT-UHFFFAOYSA-N 411.527 2.621 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 409075684 TXHGGRXEKMNTKL-GHRIWEEISA-N 409.417 2.637 10 40 HFCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1OC 409215162 XRLYENRCZKXGCV-OQLLNIDSSA-N 424.409 2.879 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 1197412 QLTBEXJMSWHKJH-MHWRWJLKSA-N 414.389 2.718 10 40 HFCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348237 PXLAJWBDSMLDHL-CNYBTUBUSA-N 417.458 2.564 10 40 HFCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN([C@@H]1CCS(=O)(=O)C1)C3 21670311 RUYRHZYXZRUWTI-GFCCVEGCSA-N 423.446 2.547 10 40 HFCB biogenic C[C@H]1CN(CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)C[C@H](C)O1 26529609 AQSUKKFGJDVHGR-IRXDYDNUSA-N 402.564 2.795 10 40 HFCB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670471 PQACPFBLDFRJOQ-LEWJYISDSA-N 414.554 2.914 10 40 HFCB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(=O)(=O)C(C)C 13574299 PAARDQOACNZSHR-SBPWCSLQSA-N 415.500 2.876 10 40 HFCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100910759 ZTIBWFMJEMTBIF-CDRHALCGSA-N 400.456 2.749 10 40 HFCB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 409192780 AYRZAABRWQPEHC-FKKWJZCKSA-N 421.478 2.838 10 40 HFCB COc1ccc(OC)c(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1 16944973 YMGGFNPKLUFEDQ-HXUWFJFHSA-N 416.479 2.783 10 40 HFCB COc1cc([C@@H]2NCCc3cc(O)c(O)cc32)cc(I)c1O 19691298 YMHNWCOJIPSITM-HNNXBMFYSA-N 413.211 2.652 10 40 HFCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 32124551 QSXBXADAELOTBO-UNOMPAQXSA-N 406.438 2.736 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)CC2)cc1 96232015 OTKDUYJCZZEWRY-UHFFFAOYSA-N 406.490 2.892 10 40 HFCB COC(=O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc1 1834674 QKXYAXIRRUUVLV-DHDCSXOGSA-N 414.464 2.725 10 40 HFCB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4164020 WZOQNISXDPKCLN-FQEVSTJZSA-N 416.543 2.656 10 40 HFCB CN1C(=O)/C(=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c2ccccc21 5552075 YTBZWQYXDDIKEK-MSUUIHNZSA-N 409.492 2.508 10 40 HFCB CN1C(=O)C(=Cc2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 8856464 FFLMZWBIQGLOHZ-UHFFFAOYSA-N 420.425 2.591 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9051214 VVPFYNWJGVZJCM-ZBQKXELDSA-N 405.453 2.525 10 40 HFCB COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(Br)c1O 13387815 GATBBAAADRMXBC-UEEORIODSA-N 418.290 2.838 10 40 HFCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408949794 IVMFXVPOTSGZFM-GZTJUZNOSA-N 407.426 2.928 10 40 HFCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)o3)C2=O)c1 4471891 AQPOGMODOGSMGK-PTNGSMBKSA-N 413.430 2.809 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)N=C2O)cc1 8766563 KXSKUVXLLSEZBU-NTUHNPAUSA-N 402.790 2.934 10 40 HFCB COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22418617 BRVGMJBPIUTAQC-NRFANRHFSA-N 411.550 2.871 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 1197627 CWKVDWJNNBHLIA-OQLLNIDSSA-N 412.467 2.852 10 40 HFCB O=C(O)COc1ccc(/C=C2/C(=O)N=C(S)N(c3ccccc3F)C2=O)cc1 9008180 MAXYHOOEPSAQBC-LCYFTJDESA-N 400.387 2.532 10 40 HFCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(Br)c1 408589271 DMRJEYJJWSYNHV-VIZOYTHASA-N 418.247 2.834 10 40 HFCB O=C1N=C(S)NC(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 2215257 DQPLTMIFSWTWIT-UHFFFAOYSA-N 421.228 2.733 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3C)CC2)c([N+](=O)[O-])c1 17089885 DIQUMZFHZUDHJT-UHFFFAOYSA-N 414.487 2.749 10 40 HFCB Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733544 RKOIUBAYLCIFKV-HSZRJFAPSA-N 409.530 2.556 10 40 HFCB Cc1c(Cl)cccc1NC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 16218252 NDNHZXSUDRERKO-UHFFFAOYSA-N 415.884 2.518 10 40 HFCB CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 20265604 LQPMAXSIJCUUHJ-SSZFMOIBSA-N 407.536 2.581 10 40 HFCB Cc1noc(NS(=O)(=O)c2ccc(/N=N\[C@H]3SC(=S)NC3=O)cc2)c1C 104123410 MUOBPHAKYOZZBA-WPCFGXOUSA-N 411.490 2.650 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1C 408927030 ZIMPEGKQOHPWHO-UHFFFAOYSA-N 400.818 2.985 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2700450 RMNSPPSKSXBQIW-NTEUORMPSA-N 418.452 2.913 10 40 HFCB O=C1N=C(Nc2ccccn2)S/C1=C/c1cc2cc3c(cc2[nH]c1=O)OCCO3 13682807 XRGILIIYWIVZFT-CXUHLZMHSA-N 406.423 2.777 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c(OC)c1 13787444 LQTJPGMOYXGMGY-NVNXTCNLSA-N 401.469 2.645 10 40 HFCB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408562053 XJZJHYRUAWZUFR-UHFFFAOYSA-N 419.503 2.775 10 40 HFCB C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 10113569 CMDOWSHMUXPBNE-KRWDZBQOSA-N 401.532 2.758 10 40 HFCB Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10963504 ZRXQBIHANBHFRF-UHFFFAOYSA-N 401.532 2.905 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H](CO)Cc1ccccc1 33542790 JWDRKNQZJHTKOC-DWKHYPNZSA-N 418.565 2.669 10 40 HFCB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 72405458 JNBRZVNYJHPYIU-UHFFFAOYSA-N 407.474 2.647 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1C 409019563 JTOVDRBQNSTCJI-SFQUDFHCSA-N 411.483 2.564 10 40 HFCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)C1 223708468 OAJVYELYDAKWLC-MRXNPFEDSA-N 422.572 2.805 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1C 409103926 HRXNGHMUNUMTRR-XMHGGMMESA-N 405.454 2.806 10 40 HFCB Cc1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1 8362054 IDNIJWYLIJJWHB-UHFFFAOYSA-N 414.483 2.977 10 40 HFCB O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 15357009 AYQQKBJKAHZRPH-RIYZIHGNSA-N 401.425 2.847 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OC)c1OC 4824991 SLAKFHCLGSJLKY-KAMYIIQDSA-N 412.467 2.852 10 40 HFCB Oc1ccccc1CNC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O 96269008 XLQBSTWJFHDYMK-AJSBUHFISA-N 415.534 2.607 10 40 HFCB biogenic,in-vitro CC(C)c1ccc(N2C(=O)/C(=C\NCCN3CCCCC3)C(=O)N=C2S)cc1 102490910 FDZUORHMEBHEDR-JXAWBTAJSA-N 400.548 2.928 10 40 HFCB COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1Cl 408996859 KFHILAGNZIRBBD-UHFFFAOYSA-N 402.790 2.820 10 40 HFCB CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC(C)(C)C)C1)C(=O)c1ccccc1C3=O 8445515 JRYRRGMFSSEWJD-OWJWWREXSA-N 424.449 2.996 10 40 HFCB CN(C)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 95471547 NWOXDAUSRXCKEI-WJDWOHSUSA-N 412.833 2.621 10 40 HFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)c(C)c1 13899247 IUBHUGUJFUOORS-UHFFFAOYSA-N 424.453 2.909 10 40 HFCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(F)cc1 408961320 RMOUCLRTVYDXBQ-UYRXBGFRSA-N 408.433 2.957 10 40 HFCB O=C1NC(=O)C(=Cc2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C(=O)N1 409066428 VNULOUXGLUGGPK-UHFFFAOYSA-N 412.764 2.964 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)N=C(S)N(c2ccc(F)cc2)C1=O 16945564 XNEPUFVOXNUGAD-FEEIMYBTSA-N 422.441 2.950 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)NCCc3ccc(F)cc3)CC2)cc1 32754913 XVUHWUQGRQUGIV-UHFFFAOYSA-N 414.525 2.888 10 40 HFCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964054 MUHOVYKMGORDNB-JOCHJYFZSA-N 406.530 2.879 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12521833 OYJWSXPEIWTPHP-UHFFFAOYSA-N 408.531 2.873 10 40 HFCB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 12773347 PGIBDNKBNPJAOR-UHFFFAOYSA-N 401.532 2.872 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c(C)c1 16284805 IAJJHLOYZJSSLJ-FOWTUZBSSA-N 411.483 2.564 10 40 HFCB O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccccc1 36207467 ALNQVOKLTQHKBV-NTEUORMPSA-N 401.425 2.847 10 40 HFCB CCN(CC)c1ccc(C[C@H]2C(=O)N(c3ccc(N)cc3)N=C2N2CCOCC2)cc1 4709754 GMPPIOWPNHUEGN-JOCHJYFZSA-N 421.545 2.966 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccc(Cl)cc3)CC2)cc1 7482289 OUMDZNNRDCOBTO-UHFFFAOYSA-N 402.878 2.783 10 40 HFCB COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8800800 CUALGTNSCCNEFL-GOSISDBHSA-N 423.966 2.922 10 40 HFCB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22666074 VYPNGXSHICXQOY-HXUWFJFHSA-N 421.538 2.552 10 40 HFCB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(N)nc3O)cc2)c1C 104090624 QYFWSBZEFADNKI-DQRAZIAOSA-N 403.424 2.773 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)cc3)C2=O)cc1 408813503 ULAOCNLVBIATNI-QGOAFFKASA-N 408.410 2.928 10 40 HFCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 4677923 WWXGTIMEKLWIGO-MHWRWJLKSA-N 403.350 2.706 10 40 HFCB COc1ccc(-c2cc3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)c(OC)c1 20612275 XIQUBZNKBZPDKT-UHFFFAOYSA-N 410.470 2.930 10 40 HFCB biogenic Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008369 UMYLIXNGGJQPHE-QHCPKHFHSA-N 423.557 2.946 10 40 HFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cc2ccccc2Br)c1 408871514 GZBMGAOKTKGXRW-UHFFFAOYSA-N 415.243 2.798 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)cc2Br)SC1=S 409209973 IVSIREXTIRDGHK-WCIBSUBMSA-N 418.290 2.538 10 40 HFCB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(=O)NC2=S)cc1 4739010 BREJBJIXVCUOQY-WQLSENKSSA-N 407.245 2.882 10 40 HFCB CN1CCCc2cc(CN3[C@H]4CC[C@H]3c3cnc(N5CCOCC5)nc3C4)ccc21 248138034 PIGPNSILCFIIPA-CVDCTZTESA-N 405.546 2.957 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3)C(=O)NC2=S)c(OC)c1 409099085 RWDBBABUAOMOHC-XNTDXEJSSA-N 412.467 2.852 10 40 HFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2236467 ZKFQMGOPDBURNC-MHWRWJLKSA-N 406.350 2.900 10 40 HFCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CCS(=O)(=O)O 6882852 DETAXTKHNNENRZ-JXMROGBWSA-N 408.320 2.538 10 40 HFCB Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 28275001 NZKISZNLOJAQTC-UHFFFAOYSA-N 419.485 2.618 10 40 HFCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408993110 CMQLVKAAFLJJNE-UHFFFAOYSA-N 404.835 2.570 10 40 HFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9378730 JXABDXOUTUOWJE-UHFFFAOYSA-N 412.534 2.890 10 40 HFCB Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)no1 84281448 HHISCKVZKRJOFP-WBVHZDCISA-N 421.544 2.852 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(C)=O 408531480 GXZAXIFVVCVOLF-YVLHZVERSA-N 424.409 2.686 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(OC)c1OC 408914152 XICWQBIAZKJHKW-VGOFMYFVSA-N 400.362 2.518 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N(C)C)ccc21 13008625 ILXMLBLPWBOPIJ-FQEVSTJZSA-N 416.472 2.705 10 40 HFCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 101050896 VQHXUFDGUXUNOO-FOWTUZBSSA-N 413.499 2.523 10 40 HFCB CCN1C(=O)C(=Cc2cc(OC)c(N3CCCC3)cc2OC)C(=O)N(CC)C1=S 409097906 HTILLLITDULQKH-UHFFFAOYSA-N 417.531 2.683 10 40 HFCB COc1ccccc1Cn1c(C)c2c(cc1=O)N[N@@H+](c1nc3ccccc3s1)C2=O 669458771 AGJJVSXDTBGJDL-UHFFFAOYSA-O 419.486 2.521 10 40 HFCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 8424748 KZRZLBGEOAWJRK-LJQANCHMSA-N 420.513 2.739 10 40 HFCB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1)C(=O)O 59248958 FHUOOGQPCVJXJG-ZTMOJVSCSA-N 414.414 2.509 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 100149934 XNEPUFVOXNUGAD-KTZOAPACSA-N 422.441 2.539 10 40 HFCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc(Br)cc1F 106502904 BBPWXWGVPKLMQA-XFFZJAGNSA-N 408.183 2.756 10 40 HFCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)CC1 225777344 XIPRACDKDCYVDQ-UHFFFAOYSA-N 411.575 2.627 10 40 HFCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409215138 XFIQBPJLQOXNDT-OQLLNIDSSA-N 415.452 2.865 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)O 409233055 UHQKCBTWCHWLMJ-KWWJGWKXSA-N 424.409 2.522 10 40 HFCB COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)c1 12730543 GCWSOKZVNAMLDM-KPKJPENVSA-N 406.514 2.695 10 40 HFCB CN1CCN([C@H](CNC(=O)NCCCc2ccccc2)c2ccc(N(C)C)cc2)CC1 22418646 YOOZIMKTRLSAOX-XMMPIXPASA-N 423.605 2.973 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 39995690 UCWMEXRIVKLMDG-GOSISDBHSA-N 411.477 2.674 10 40 HFCB CC(C)c1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 9233252 VSEBGXQFTUMDJN-UHFFFAOYSA-N 423.494 2.742 10 40 HFCB COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409107414 PLPLVIMFTFDPHN-CXUHLZMHSA-N 406.460 2.513 10 40 HFCB CCc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13648340 UJXWGIHWRYPNJY-UHFFFAOYSA-N 415.559 2.932 10 40 HFCB COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c1 59139698 DCJVSEGMUPAPED-UHFFFAOYSA-N 418.858 2.985 10 40 HFCB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1COc2ccccc2O1 65492554 TUVZIYQVILAAGA-IBGZPJMESA-N 422.403 2.998 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 223908254 SWGUHYVJGSYXQL-UHFFFAOYSA-N 403.548 2.924 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2n1 3221435 SGVBVYGVFRHWAX-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB Cn1cc(CN2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)cn1 20606510 YPEWEYICVAOJJY-YVLHZVERSA-N 401.923 2.862 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 408902102 GDAXNPRGTXTCOI-NTUHNPAUSA-N 415.333 2.505 10 40 HFCB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O 409344438 JOBBXSXDMJNXQQ-WDZFZDKYSA-N 402.291 2.832 10 40 HFCB COc1cc(CN/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1 5734484 IMCCVOCJYRQQLR-UNOMPAQXSA-N 409.442 2.577 10 40 HFCB COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 256055391 FFXXLZSEHMPGRT-JYRVWZFOSA-N 420.468 2.639 10 40 HFCB COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c1 408998174 IGYLFEDKMWRJJG-UHFFFAOYSA-N 402.790 2.820 10 40 HFCB COc1ccc(N2CCN(C(=S)c3ccc(OCC(=O)O)c(OC)c3)CC2)cc1 4624292 CWKCOCRVUGSFCU-UHFFFAOYSA-N 416.499 2.665 10 40 HFCB CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 8870068 KARHBHUZLYIZQU-MBFWDRTGSA-N 424.569 2.600 10 40 HFCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc2c(cc1Br)OCCO2 60837992 JJMDRTFLGHOHHJ-UHFFFAOYSA-N 414.233 2.750 10 40 HFCB CCc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 96193259 PIOSXGHILYTETM-YVLHZVERSA-N 414.443 2.611 10 40 HFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 103512964 ZQPNVEZYIQFZKN-XSFVSMFZSA-N 406.467 2.931 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1 409023900 MIIDPXVAMYZFCA-XNTDXEJSSA-N 416.430 2.683 10 40 HFCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409396029 VNHUIWSCQCZQBK-LCYFTJDESA-N 415.247 2.577 10 40 HFCB COc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 585145579 ZOZLOCOCBCSTLL-UHFFFAOYSA-N 419.437 2.787 10 40 HFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 979277 PUMJTIJBKSSADH-ATVHPVEESA-N 422.437 2.673 10 40 HFCB O=C(O)[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 28296919 KDOUGVDOVGCWOA-MBFWDRTGSA-N 408.501 2.727 10 40 HFCB CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 408571236 AMXUAQBJLRPEDF-WJDWOHSUSA-N 406.529 2.534 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 408945090 VVMOSMQQSGVJBU-MDWZMJQESA-N 401.762 2.923 10 40 HFCB COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 13548561 RGYNCQTYKPZVRJ-BOPFTXTBSA-N 410.426 2.996 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OCC)c1 408957044 ZVTGLPSOWLMWMY-CXUHLZMHSA-N 424.409 2.879 10 40 HFCB COc1ccc(N2CCN(CC[C@H]3Oc4cc([N+](=O)[O-])ccc4NC3=O)CC2)cc1 4053874 QEXFPEMHAAJAIU-LJQANCHMSA-N 412.446 2.515 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC(C)(C)C)N3CCCCC3)ccc21 9138434 KJUKGOVCHCMGGX-FQEVSTJZSA-N 400.567 2.627 10 40 HFCB COc1ccc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(OC)c1OC 13775179 UYWBBSAGTASWBO-NTCAYCPXSA-N 412.467 2.886 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 16932336 VVPFYNWJGVZJCM-UGMNDJHYSA-N 405.453 2.525 10 40 HFCB COc1ccc(-c2nnc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)s2)cc1 2747669 JZOXFOCJOUSTHT-PTNGSMBKSA-N 421.438 2.793 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8230520 ALKGWMHYKMFAAE-UHFFFAOYSA-N 401.532 2.809 10 40 HFCB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 13008020 JGVCMEYLSWZWJY-UHFFFAOYSA-N 418.880 2.519 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1 20356358 STNUDYAQYFOCAV-SAPNQHFASA-N 403.573 2.750 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 12363135 MVWVGAHEKKTOHW-GPLLRDDGSA-N 410.451 2.678 10 40 HFCB O=C1N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccco1 96101655 WNERIQYJISLTIF-UYRXBGFRSA-N 408.458 2.836 10 40 HFCB CCOc1c(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cccc1OC 96193375 SLICGWOTISVPHV-ATVHPVEESA-N 415.471 2.547 10 40 HFCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)NC[C@@H]1CCCO1 409215087 ZQLSQTSBXCZQGM-KMTKGMGQSA-N 415.515 2.618 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 4571386 USGIZGNZBYCYBD-AQTBWJFISA-N 407.426 2.596 10 40 HFCB Cc1cc(C(=O)CN2C[C@@H](C)C[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13014027 DXXAAVKRMCCEIV-GASCZTMLSA-N 403.548 2.902 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 223898491 LSXCMCUFYMAMHD-UHFFFAOYSA-N 407.511 2.754 10 40 HFCB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 4679833 FGMJMEPGCVOFAA-ACAGNQJTSA-N 400.774 2.744 10 40 HFCB Cc1cc(N2CCOCC2)ccc1CN1CCC2(CC1)NC(=O)c1ccccc1O2 12117987 RXGINJSSRISYSP-UHFFFAOYSA-N 407.514 2.946 10 40 HFCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22665954 YQNLQCOGARQAPK-QFIPXVFZSA-N 417.575 2.667 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3C)C(=O)NC2=S)cc1 408549830 ZWLZFDPTZPMIBM-MHWRWJLKSA-N 412.467 2.852 10 40 HFCB COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(O)c(O)c4oc3=O)c2c1 8878692 DGSIOQIBBKJSPX-UHFFFAOYSA-N 422.437 2.904 10 40 HFCB biogenic COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838316 FOMYOWVBZPBVOM-QFIPXVFZSA-N 409.530 2.881 10 40 HFCB COCCN1C(=O)N=C(O)/C(=C\c2ccc(OCCN(C)c3ccccn3)cc2)C1=O 20388182 UAWOQONDULZTPA-OBGWFSINSA-N 424.457 2.545 10 40 HFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC 27519919 LKMYUJUHODMSJD-WQRHYEAKSA-N 424.453 2.715 10 40 HFCB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)s1 224398593 QZMIGYHCZAZAJE-CYBMUJFWSA-N 423.564 2.601 10 40 HFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408776993 UIDJTWZAZUBIKL-UNOMPAQXSA-N 422.437 2.673 10 40 HFCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(OC)cc2)CN=3)cc1 16102135 RCGLFGMGIVYGOL-STZFKDTASA-N 422.554 2.648 10 40 HFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\N[C@@H](C)c3ccccc3)C2=O)cc1OC 95483893 IKEIJVHFXZTZRT-JZBMNUFDSA-N 423.469 2.559 10 40 HFCB COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4030259 YCHIMGIVUFDBRN-LJQANCHMSA-N 402.516 2.591 10 40 HFCB CSCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 8870077 CJEJLAAEPWUEIF-OZYJXZHSSA-N 424.569 2.519 10 40 HFCB CC(=O)NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1028481 CYHRFWRZWCXLEC-MSUUIHNZSA-N 409.492 2.856 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1 4670444 QEJPFTZXCJHTRB-UHFFFAOYSA-N 416.817 2.556 10 40 HFCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008580 MHPFXJQQDLTWSA-JOCHJYFZSA-N 424.545 2.825 10 40 HFCB CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408954020 QWWSFJBCCGUDTR-GOZVUGRMSA-N 405.410 2.704 10 40 HFCB CC1=C2[C@@H](CCS2(=O)=O)[C@]2([S@@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@@H]2C1 4480998 MPDJTMAICNXNSF-JOIDWABGSA-N 406.525 2.690 10 40 HFCB O=C(NN1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S)c1cccc(O)c1 13733509 VHFDYQGIIDNXHR-CXUHLZMHSA-N 408.464 2.882 10 40 HFCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(I)cc1 14009265 CUQAWNYZVBUVKA-ZSOIEALJSA-N 407.211 2.879 10 40 HFCB COc1cc([C@H]2C(=O)c3cc(OC)c(OC)c(OC)c3C2=O)cc(OC)c1OC 100240777 OZDSBQZZIMORKZ-HNNXBMFYSA-N 402.399 2.901 10 40 HFCB biogenic,in-vitro CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408534388 QUBOFAOOMKFELZ-SSZFMOIBSA-N 418.457 2.824 10 40 HFCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(=O)NC2=S)c1 5654390 XYOVZPBSAMBUEV-YVLHZVERSA-N 412.467 2.934 10 40 HFCB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 12588121 GMPVYXMEPKRDDB-OKILXGFUSA-N 420.465 2.991 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCCC3)ccc21 13007852 IGCJYHSHHZKRTA-HSZRJFAPSA-N 420.557 2.639 10 40 HFCB O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 33330014 WXKXTOUZKAJAAO-ZROIWOOFSA-N 400.387 2.961 10 40 HFCB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)c2C)cc1C 40050063 NEWYCAQUIALRRQ-UHFFFAOYSA-N 422.441 2.763 10 40 HFCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 16694229 RROSEYAWPRKHTQ-BOPFTXTBSA-N 404.879 2.967 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3F)N3CCOCC3)ccc21 22733261 BMGVKPJJZHRCCD-FQEVSTJZSA-N 401.457 2.760 10 40 HFCB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccccc1 102269865 QENTUAOALFXVJG-OALUTQOASA-N 422.481 2.995 10 40 HFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 16398890 NYUZTVDRDCJWCF-JYRVWZFOSA-N 401.831 2.812 10 40 HFCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)NC[C@H]1CCCO1 409215089 ZQLSQTSBXCZQGM-ZCWPUFOUSA-N 415.515 2.618 10 40 HFCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 9135440 ZKKPJJKJKBTNQC-NRFANRHFSA-N 424.545 2.825 10 40 HFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1O 108034566 HPBQGEBFMBPODW-GHXNOFRVSA-N 404.176 2.524 10 40 HFCB CC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374978 LDEORJMMHBUTRR-CJANLCRMSA-N 404.513 2.814 10 40 HFCB CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870096 IIQDAZUCAOURAC-XDPMZMSMSA-N 422.528 2.656 10 40 HFCB NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409201615 NALLYEJLFYTTAW-APSNUPSMSA-N 414.464 2.685 10 40 HFCB O=C1NC(=S)N=C(O)/C1=C/C=C/c1coc2cc(Br)ccc2c1=O 5763921 GGAZMNFRBIIGDJ-OWOJBTEDSA-N 405.229 2.866 10 40 HFCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8964005 ZSMBASLHKQMUEW-FQEVSTJZSA-N 414.937 2.998 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)C(=O)N=C2O)cc1 9058963 ZTBTXLPQCKZTNP-LFIBNONCSA-N 424.409 2.838 10 40 HFCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 12562736 CGMXKQLLAOSTAL-UHFFFAOYSA-N 400.475 2.821 10 40 HFCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 13008564 PUYHTUUHHXMYOP-OAQYLSRUSA-N 424.545 2.744 10 40 HFCB COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)c1 20612143 GNEXXHHXMDNJNQ-UHFFFAOYSA-N 410.470 2.930 10 40 HFCB biogenic COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc21 6422578 UCCZRLOXXXSVKA-GZTJUZNOSA-N 417.421 2.789 10 40 HFCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)o1 107758178 GCHOPYNNBRIFKU-ZDLGFXPLSA-N 420.425 2.962 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O 408851129 IUDCGENGISVKHZ-LICLKQGHSA-N 408.410 2.904 10 40 HFCB O=C1NC(=O)C(=Cc2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)C(=O)N1 2793069 REUZOPBXMQMFDN-UHFFFAOYSA-N 405.193 2.962 10 40 HFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O 5967691 VCSPSDXHVQBXFG-VKAVYKQESA-N 418.453 2.866 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)CCOc3ccccc3C)CC2)cc1 7813646 YEBWTDAZBLJSKO-UHFFFAOYSA-N 412.486 2.665 10 40 HFCB O=C(CN1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1)NC1CC1 22775237 FGKIYHCOAGOCAZ-UHFFFAOYSA-N 418.335 2.704 10 40 HFCB COc1ccc2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(C(=O)O)[nH]c2c1 256055293 AXKBONNJEJUSFT-GHXNOFRVSA-N 406.441 2.551 10 40 HFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)c1 409188829 AWNTYFADBYMUFU-SWEABUAFSA-N 424.478 2.987 10 40 HFCB O=C(NN1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S)c1ccc(O)cc1 13721332 JTNVYKYTHAGITC-MHWRWJLKSA-N 408.464 2.882 10 40 HFCB COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c([N+](=O)[O-])c1 6571320 UERPIMUFOWJHCU-UHFFFAOYSA-N 400.391 2.782 10 40 HFCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CC(=O)N1CCCC[C@H]1CCO 9429477 UWEHOSHEQISBBG-CNYBTUBUSA-N 408.520 2.790 10 40 HFCB COc1ccc(N2CCN(c3nnc(SCC(=O)N4CCCC4)s3)CC2)cc1 23139968 WUULZWLTUQRWAQ-UHFFFAOYSA-N 419.576 2.588 10 40 HFCB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(N(C)C)cc4)cnc3c2c1 35423977 FFDYZUWBPVYCQH-UHFFFAOYSA-N 403.486 2.959 10 40 HFCB C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)nc(-c2ccncc2)[nH]1 19458477 GXTSADQHLNFFNK-HNNXBMFYSA-N 409.465 2.658 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 100192559 DMBNRBIUHRYQFY-GEBKJHSDSA-N 416.437 2.852 10 40 HFCB C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)nc(-c2ccncc2)[nH]1 19458475 GXTSADQHLNFFNK-OAHLLOKOSA-N 409.465 2.658 10 40 HFCB Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 247863531 HIDTWYOVHLVSFS-GUDVDZBRSA-N 414.461 2.705 10 40 HFCB CCCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374922 HDAYOYHKJIEBOJ-GWQWUEFDSA-N 406.529 2.956 10 40 HFCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c(C)c1 10113552 CWKFBQDYTDAAPP-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)ccc1O 13688163 NXVVFMGMENNIJR-DHDCSXOGSA-N 402.453 2.653 10 40 HFCB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(N(C)C)cc1 6304735 KDDNQSZZWWJVHA-FQEVSTJZSA-N 400.504 2.822 10 40 HFCB Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)c2C)c1 40050075 UFURTIDGADBWPO-UHFFFAOYSA-N 422.441 2.763 10 40 HFCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)c(OC)cc1Cl 408785422 ZFNBXFRUMZRRCN-KPKJPENVSA-N 402.790 2.729 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)Cc3ccc(F)cc3)N3CCOCC3)ccc21 13008313 XPNGVBZGOZGMSE-QHCPKHFHSA-N 411.521 2.940 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)c(OC)c1 31768818 DXKHHSHODSWOLV-SFQUDFHCSA-N 408.545 2.627 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1ccc(O)cc1 54361167 NPKOOPIBALJDSU-SXGWCWSVSA-N 408.464 2.882 10 40 HFCB COC(=O)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 16194145 JKOQNVKQQYYFCB-GDNBJRDFSA-N 400.843 2.958 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c1 6661078 ZTFPZJLQHQBUDH-UHVIJJLKSA-N 420.556 2.660 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 9919416 VDLVVKVNGRRVOA-UHFFFAOYSA-N 410.518 2.596 10 40 HFCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 34857579 XFOJPUFMHASOGN-ZSOIEALJSA-N 416.817 2.664 10 40 HFCB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 36616682 NCQJVTMHIPZHLC-UHFFFAOYSA-N 405.502 2.921 10 40 HFCB O=C1/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC(=S)N1Cc1ccco1 100788804 PTLIOWPTKDPNIB-RAKLLCQZSA-N 413.524 2.762 10 40 HFCB biogenic CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)NCCOC)c12 409124959 COSVZXRJAXATRA-YBEGLDIGSA-N 417.556 2.797 10 40 HFCB COC(=O)c1cc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)ccc1Cl 4644281 JEFKXQGXIZANKA-UHFFFAOYSA-N 402.790 2.820 10 40 HFCB CC1=C2[C@@H](CCS2(=O)=O)[C@]2([S@@](=O)C(C)C)C(=O)c3ccccc3C(=O)[C@H]2C1 5825933 MPDJTMAICNXNSF-AXBHILJPSA-N 406.525 2.690 10 40 HFCB CCOC(=O)C1=C(CN2CCCc3cc(OC)ccc32)NC(=O)N[C@H]1c1ccco1 32853391 XKVGKYHHZHVVKP-FQEVSTJZSA-N 411.458 2.912 10 40 HFCB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 5669968 JHQIGYJGIOOGAW-ZOCXKQACSA-N 410.430 2.949 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3c(-c4ccccc4)nc(C)cc3=O)CC2)cc1 57526543 HBTOKPYPDSBAJF-UHFFFAOYSA-N 418.497 2.576 10 40 HFCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)C1 2256171 SXQBEJSRJACLTG-RQNDZEIBSA-N 404.488 2.949 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@H]4CCCC[C@H]4C3=O)C2=O)cc1 12951782 LFHCADNUECKUHZ-BJVVOBRJSA-N 402.497 2.987 10 40 HFCB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(N(C)C)cc1 20636785 IDELCLPBTHLVKP-LEWJYISDSA-N 420.513 2.517 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)C(=O)NC2=S)cc1 1125089 OFBIFOUNUHZDPI-OVCLIPMQSA-N 410.451 2.818 10 40 HFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)CC1 1183776 YQOOSAMUEFOZMU-ATVHPVEESA-N 404.488 2.949 10 40 HFCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 5771209 DAXYWNLPFOMPRH-SFQUDFHCSA-N 415.405 2.825 10 40 HFCB aggregator Cc1ccccc1N1C(=O)/C(=C/NCCc2c[nH]c3ccccc23)C(=O)NC1=S 101147241 PYHULTIKUGWDSF-GHRIWEEISA-N 404.495 2.940 10 40 HFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 408847656 NWNGCJLEKCUSOM-WUXMJOGZSA-N 405.725 2.759 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1 6660417 MTBVITPHKYAJGU-UHVIJJLKSA-N 420.556 2.660 10 40 HFCB CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(OCC)cc2)CN=3)cc1 13809742 JLGWMMXHIWIQKL-MOSHPQCFSA-N 409.511 2.591 10 40 HFCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 33666318 HAUMOAWXILDIDX-WQRHYEAKSA-N 410.401 2.567 10 40 HFCB Cc1nn(C)c(C)c1CN1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)CC1 36619579 VGTQIAOJIWPDIM-UNOMPAQXSA-N 413.522 2.964 10 40 HFCB COC(=O)CN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S 409215195 YIEDHGCYKTYSKU-JYOAFUTRSA-N 416.274 2.552 10 40 HFCB CCNc1cc(N2CCN(C(=O)OCC)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 6664462 AYXZSIFBRUKMDO-UHFFFAOYSA-N 422.485 2.755 10 40 HFCB COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)c3ccncc3)CC2)c1O 12893477 KLKGVPDKXPQYOB-UHFFFAOYSA-N 405.454 2.685 10 40 HFCB COc1ccc2cc(/C=C3/SC(=S)N([C@@H](C(=O)O)C(C)C)C3=O)c(=O)[nH]c2c1 13690872 GJYDPWNKBXGOCT-KEQVLUGWSA-N 418.496 2.847 10 40 HFCB COC(=O)c1ccc(Oc2coc3c(CN(C)CC(=O)O)c(O)ccc3c2=O)cc1 94993363 LYJBIZZLKLASLG-UHFFFAOYSA-N 413.382 2.594 10 40 HFCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 409067068 NQAZHHUELUWAKG-RFRKOGIWSA-N 404.488 2.820 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409393901 SYGZNVNJDAKBSI-XYOKQWHBSA-N 402.204 2.519 10 40 HFCB Cc1cc(-c2csc(N)n2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 7763037 NVDIMZJNYWIBET-UHFFFAOYSA-N 418.544 2.821 10 40 HFCB CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589268 KXYGGKSYBCPXNJ-HSZRJFAPSA-N 410.562 2.870 10 40 HFCB CCOC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408987217 FDHXWNWFWOYSEJ-AQTBWJFISA-N 422.437 2.857 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)CCc3ccccc3OC)CC2)cc1 6081457 KGFQIVJKEFZYPE-UHFFFAOYSA-N 412.486 2.528 10 40 HFCB Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c1C 9263199 MKXLYMDRPPNJHT-RQNDZEIBSA-N 424.478 2.987 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NCc1nc(-c2ccccc2)no1 20592156 YSMLOUJXCGXVPQ-XNTDXEJSSA-N 423.816 2.647 10 40 HFCB COCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 112286520 JROXIPZZMITPLZ-RGEXLXHISA-N 410.430 2.864 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccccc1F 408917624 YODDARVFWSDXRE-NTEUORMPSA-N 400.431 2.670 10 40 HFCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)O 409083907 USWOQNSIEUCDSG-LWLPBDFMSA-N 423.512 2.929 10 40 HFCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)O)C(=O)NC1=S 409194597 PMLRLEHNQBJMHG-MLDYKZIASA-N 424.478 2.932 10 40 HFCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCS(=O)(=O)O 5371931 HBHAVAKWHZVKPH-YFHOEESVSA-N 408.320 2.538 10 40 HFCB CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22666230 VNHQBNMGJKRXDU-JOCHJYFZSA-N 416.591 2.555 10 40 HFCB Cc1cc(C)nc(Sc2ccc(/C=C3/C(=O)NC(=S)N=C3O)cc2[N+](=O)[O-])n1 59219859 WAQFPBQYBIFTCT-UHFFFAOYSA-N 415.456 2.907 10 40 HFCB O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409337952 AEQJZHXNJXQWSU-MDWZMJQESA-N 420.493 2.758 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 224954048 MYMBWTMRTUXCRN-UHFFFAOYSA-N 403.548 2.924 10 40 HFCB CN1CCN([C@@H](CNC(=O)NCCCc2ccccc2)c2ccc(N(C)C)cc2)CC1 22418645 YOOZIMKTRLSAOX-DEOSSOPVSA-N 423.605 2.973 10 40 HFCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1 103229418 OQBKHTZJEGVTFS-HKWRFOASSA-N 420.538 2.984 10 40 HFCB CCCOC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1767090 WDXLAXBSAUHABX-ZROIWOOFSA-N 411.501 2.867 10 40 HFCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)c(C)c1 4821930 IHWAINKISWKVAP-LICLKQGHSA-N 408.410 2.742 10 40 HFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1 408894457 IDAZPYNCLRUDOL-UHFFFAOYSA-N 420.849 2.981 10 40 HFCB CCOC(=O)c1csc(N2N=C(c3ccccc3O)C[C@]2(O)C(F)(F)F)n1 6595283 MBSJXOLOQJGGMB-HNNXBMFYSA-N 401.366 2.891 10 40 HFCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964177 VUBAGZUJBAZOFT-OAQYLSRUSA-N 422.529 2.579 10 40 HFCB Cc1cc(C)cc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 10113553 YTVOIASHTZJVDW-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB CCOCCCN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCO3)NC1=S 15259101 KOXSDDZQUKBFLZ-KPKJPENVSA-N 413.293 2.662 10 40 HFCB O=C(C1=CN(c2ccc(F)cc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004040 SEEJTPNKADREJN-UHFFFAOYSA-N 406.410 2.590 10 40 HFCB COc1ccc(-c2cc3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)cc1OC 20605074 XLHSZLNURASZBC-UHFFFAOYSA-N 410.470 2.930 10 40 HFCB biogenic CCN(CC)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 224540284 ZCXNNMPYDFREEP-UHFFFAOYSA-N 418.563 2.705 10 40 HFCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)cc1OC 409146268 KKQGQSBPCDLNKG-FOWTUZBSSA-N 410.426 2.852 10 40 HFCB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc21 21963316 HMZUPPHMJCDBAN-UHFFFAOYSA-N 420.513 2.834 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@H]4CCCO4)CC3)ccc21 257229864 FZTRSMIIYBOJRX-SFGWALBWSA-N 413.562 2.787 10 40 HFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408875795 KZZBJILUOBKXEX-OVCLIPMQSA-N 417.215 2.830 10 40 HFCB CN1C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(C)C1=S 4711328 LDOZQSNDNLCLAK-UHFFFAOYSA-N 404.289 2.839 10 40 HFCB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 33547148 OWZPUNLECMJRTH-PDICVPPASA-N 416.817 2.662 10 40 HFCB CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N(C)C)cc2)cc1 12552206 GZPAJSRNXJWOAJ-UHFFFAOYSA-N 403.548 2.861 10 40 HFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 409011222 MXGPPRLEEBEWBU-RVDMUPIBSA-N 417.874 2.601 10 40 HFCB Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409390347 FBVLAUWLCLZIHO-LDADJPATSA-N 401.426 2.859 10 40 HFCB O=C1NC(=S)NC(=O)C1=CNC(c1ccccc1)(c1ccccc1)c1ccccc1 6565690 FUFULBPMTCVWEU-UHFFFAOYSA-N 413.502 2.983 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(O)c1OC 9259371 YOSTXXGDAKORHY-QPEQYQDCSA-N 418.858 2.894 10 40 HFCB CC(/C=C1\SC(=S)N(CC(=O)N2CCN(C)CC2)C1=O)=C\c1ccccc1 20226865 DWIBCILMTUOJPL-GXDIDPINSA-N 401.557 2.608 10 40 HFCB O=C(O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1 5552567 GEXBFRXDXDNBBS-NTEUORMPSA-N 400.437 2.637 10 40 HFCB Cc1noc(NS(=O)(=O)c2ccc(/N=N/[C@H]3SC(=S)NC3=O)cc2)c1C 104123415 MUOBPHAKYOZZBA-CMTMBAJVSA-N 411.490 2.650 10 40 HFCB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 225677214 HKOCFELBUPLWDR-UHFFFAOYSA-N 403.529 2.679 10 40 HFCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733538 SWIZDSHDAJNQCQ-JOCHJYFZSA-N 409.530 2.556 10 40 HFCB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C 100049822 SNFDYKQTKIEAFN-ZBBYCGENSA-N 420.403 2.830 10 40 HFCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964178 VUBAGZUJBAZOFT-NRFANRHFSA-N 422.529 2.579 10 40 HFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(OC)c3OC)S2)CC1 9553421 MKYGBSBTFLSCNX-VBKFSLOCSA-N 404.488 2.949 10 40 HFCB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)cc2)CC3)C[C@@H](C)O1 72347288 OKZHUIUIGIUKAK-QZTJIDSGSA-N 423.561 2.954 10 40 HFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)NC(C)C 223883216 LLSQDPGERRQIKR-UHFFFAOYSA-N 419.547 2.720 10 40 HFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N\Sc2ncnc3[nH]cnc23)cc1 104094633 OAJOBYKZDAPCKF-GYHWCHFESA-N 413.448 2.735 10 40 HFCB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1OC 223850714 KDRYAYSEOLTLQG-UHFFFAOYSA-N 417.531 2.524 10 40 HFCB Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733551 KKLYWNROXOQXAA-HSZRJFAPSA-N 409.530 2.556 10 40 HFCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)O 409090668 NAXKTONILGLQKM-IYVNWDGISA-N 409.485 2.539 10 40 HFCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 4330599 NAOPOFICMUBQIH-FQEVSTJZSA-N 410.518 2.653 10 40 HFCB O=S(=O)(N1CCCCCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 14200374 DSRALFIHHACOOB-UHFFFAOYSA-N 403.548 2.784 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC(=S)Nc3ccccc3)C2=O)cc1 408531952 PGKFXSXAKLINHR-FOWTUZBSSA-N 410.455 2.539 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\NCCc3c[nH]c4ccccc34)C(=O)NC2=S)cc1 5807363 COTCBSDVDYMGMY-AQTBWJFISA-N 404.495 2.940 10 40 HFCB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)c(OC)c1OC 13668872 AIGNPPKIHFCFEG-YRNVUSSQSA-N 412.486 2.879 10 40 HFCB COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O 20461253 KLTSZBAFPQFRLD-UHFFFAOYSA-N 424.497 2.593 10 40 HFCB biogenic CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)NC2(CCCCCC2)C1=O 23653369 JAPLHXIQGMBBCI-UHFFFAOYSA-N 400.523 2.557 10 40 HFCB O=C1NC(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2F)C(=O)N1 408876300 OLVXAWRGYBDXHA-UHFFFAOYSA-N 403.207 2.928 10 40 HFCB C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 12381032 KMSRNEIUMVWFIJ-WIWNTQSISA-N 414.801 2.858 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O 13896198 KZSKQSJPPNNLDB-QPEQYQDCSA-N 417.215 2.830 10 40 HFCB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccccc1 35306518 SQYZMMSIMIWEAQ-DHZHZOJOSA-N 406.530 2.530 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nn(-c2ccc(F)cc2)cc1O 72311827 YRNVCKWZCDARFR-UHFFFAOYSA-N 410.449 2.826 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408944402 UPVQKWYIFIDPOH-XNTDXEJSSA-N 411.370 2.669 10 40 HFCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 409208927 DISLZGDJXDVAFT-LDADJPATSA-N 406.398 2.861 10 40 HFCB COc1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)CC2)cc1 101191509 XXLAEFAPMKKSHM-HRAATJIYSA-N 406.548 2.542 10 40 HFCB COC(=O)[C@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108134360 GFYRITJVNZKQGO-IEMQHYRPSA-N 400.818 2.742 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c([N+](=O)[O-])c1 6545978 DSBUIUBEOUCKCU-UHFFFAOYSA-N 400.391 2.782 10 40 HFCB C[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6660726 DTTWFEBZPLEYEG-KWWJGWKXSA-N 418.519 2.818 10 40 HFCB O=C1N=C(O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 9137655 UTOWQUZMHXAQNL-PTNGSMBKSA-N 409.398 2.869 10 40 HFCB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1cc2c(cc1O)CCC2 32784160 FJCKWFRHVSSDGO-IBGZPJMESA-N 403.548 2.686 10 40 HFCB COc1ccc(N2CCN(CC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)CC2)cc1 57338225 PYWGRCFLKQAPCA-UHFFFAOYSA-N 414.462 2.681 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCn1ccnc1 6660381 RRKXECOPQFIOJJ-SDNWHVSQSA-N 406.558 2.742 10 40 HFCB COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OC 9209776 FRGNZTFLSYAUTP-IPJGKCBESA-N 423.454 2.775 10 40 HFCB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22666079 VYPNGXSHICXQOY-FQEVSTJZSA-N 421.538 2.552 10 40 HFCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1 1301649 GFAQEWLGZRPEMR-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCCc1nc2ccccc2[nH]1 19691336 MJRFOHGWSQXBGL-QINSGFPZSA-N 423.860 2.905 10 40 HFCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nnc(C)s1 44085972 UENFXZPYIPVIPE-UHFFFAOYSA-N 417.516 2.922 10 40 HFCB COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1 1240495 KWGPPQZZMPWZPL-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c(OC)c1 13787615 DXKHHSHODSWOLV-ATVHPVEESA-N 408.545 2.627 10 40 HFCB COc1cc(NS(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O 5138621 ZUWHJJGOYZUNDW-UHFFFAOYSA-N 408.435 2.854 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)N3CCCCC3)ccc21 9138030 VLNADFDRPJVKNW-JOCHJYFZSA-N 412.578 2.771 10 40 HFCB CN1CCN([C@H](CNC(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 35597248 MYMJCNGKUWIZJJ-JOCHJYFZSA-N 411.525 2.928 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2n1 4570507 XWHZXZTYFCAYRI-UHFFFAOYSA-N 406.903 2.767 10 40 HFCB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 7356343 GFYRZIUHNJIBPL-UHFFFAOYSA-N 402.926 2.935 10 40 HFCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCn1nc2ccccn2c1=O 31845482 AYFLCEKELCTCNT-UHFFFAOYSA-N 423.498 2.943 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409389518 BTUGQXAFAPYUGT-WJDWOHSUSA-N 404.338 2.916 10 40 HFCB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9951520 VHFDKMZLBOBJRC-UHFFFAOYSA-N 424.479 2.767 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 4499331 DMBNRBIUHRYQFY-IZILLXMLSA-N 416.437 2.852 10 40 HFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 6348238 PXLAJWBDSMLDHL-DFSFMLJYSA-N 417.458 2.564 10 40 HFCB COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408769373 SGMXWARHMLQMMK-GZTJUZNOSA-N 408.410 2.522 10 40 HFCB COc1cc(/C=C2\SC(=S)N(CC(=O)NC(C)(C)C)C2=O)cc(OC)c1OC 1217402 PUSFNTOMRNQRGO-ZROIWOOFSA-N 424.544 2.828 10 40 HFCB CN1C(=O)C(=Cc2ccccc2OCc2ccc3c(c2)OCO3)C(=O)N(C)C1=S 59140025 NZOKOEXZCBWTHN-UHFFFAOYSA-N 410.451 2.593 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 409066333 BVIPJIFWRMTKGW-XDHOZWIPSA-N 409.417 2.637 10 40 HFCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9376937 QADRYKNRKNWYDF-HSZRJFAPSA-N 423.469 2.769 10 40 HFCB CCN1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20142267 MKIJAOSWIHUTJA-HSZRJFAPSA-N 419.577 2.709 10 40 HFCB O=C(O)[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 33542238 FYWZVUFKOHWPBX-XDPMZMSMSA-N 422.503 2.883 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 222575465 URDFLSRKWMRCOZ-UHFFFAOYSA-N 419.547 2.624 10 40 HFCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccncc1 409341285 AWLLVQMLPGEDHK-SXGWCWSVSA-N 416.480 2.955 10 40 HFCB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1ccc2c(c1)OCCO2 2642877 MRKFHQLPSRGDEP-UHFFFAOYSA-N 408.410 2.538 10 40 HFCB CCOC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 35403177 FBKKRHJPELHBPT-WJDWOHSUSA-N 400.818 2.743 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1OC 108193661 NSVYSLGCGHTRDK-KAMYIIQDSA-N 424.409 2.686 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409071839 LRUFHBOMMJSLJL-XMHGGMMESA-N 421.522 2.971 10 40 HFCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 5345564 QDLMRDQREGIDLX-VQCBNXJZSA-N 408.520 2.790 10 40 HFCB Cc1cc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1C 408526586 CPPGPHZOGCUAMN-SFQUDFHCSA-N 408.414 2.829 10 40 HFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C1=O 6784211 KCPNXQPJEDFXCO-FOWTUZBSSA-N 408.414 2.623 10 40 HFCB COc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)O)c1O 80316177 YHOQPQIREBXUEO-OAHLLOKOSA-N 412.398 2.672 10 40 HFCB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409207867 BRGFRDWCFIVGCS-GZTJUZNOSA-N 404.488 2.759 10 40 HFCB O=C(O)COc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 33331166 FPNHGTHBYBCJMF-FMIVXFBMSA-N 400.387 2.961 10 40 HFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 409400110 OWHZZWYRFLDMLB-BOPFTXTBSA-N 418.361 2.804 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c(OC)c1 1251634 WNWSQICDCIOAIP-SXGWCWSVSA-N 416.480 2.956 10 40 HFCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 9135441 ZKKPJJKJKBTNQC-OAQYLSRUSA-N 424.545 2.825 10 40 HFCB COc1ccc(N2CCN([C@@H]3CCCN(Cc4cnc(SC)nc4)C3)CC2)cc1 23373397 YSWUDPQMVBVRPG-HXUWFJFHSA-N 413.591 2.994 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCCCC(=O)O)C2=O)cc1 5374913 KGTTUCDBWKTQND-RVDMUPIBSA-N 406.529 2.957 10 40 HFCB CN(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859247 XNCQGBUYALYWMM-FRQCXROJSA-N 407.392 2.857 10 40 HFCB COc1ccc(N2CCc3nn(CC(=O)Nc4ccccc4F)c(=O)cc3C2)cc1 19556622 JREUVAVFOZJWNH-UHFFFAOYSA-N 408.433 2.592 10 40 HFCB Cc1cc(N2CCOCC2)ccc1CN1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 19570677 YEXQSKOFJDVHOV-UHFFFAOYSA-N 417.513 2.535 10 40 HFCB COc1ccccc1N1C(=O)/C(=C\Nc2ccc(NC(C)=O)cc2)C(=O)N=C1S 102482712 LRBHBXAMFWMUGA-PTNGSMBKSA-N 410.455 2.809 10 40 HFCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13562184 CRUHVJLVWXDCNF-ZWIPKHHJSA-N 418.359 2.837 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C(=O)O 409043511 RIUPQJIGKHFWTP-XFXZXTDPSA-N 400.774 2.713 10 40 HFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 56105692 RJXKOPMODRKZEH-UHFFFAOYSA-N 405.520 2.978 10 40 HFCB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670339 ZIVMYGDFJQXQHK-WOJBJXKFSA-N 400.527 2.524 10 40 HFCB Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)cc1 408587343 BOCXOFGUXBAYNY-NVNXTCNLSA-N 418.247 2.834 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1OC 4140150 GAJPREKXGGGLDR-SXGWCWSVSA-N 415.496 2.939 10 40 HFCB CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13714263 RKBSYSVCWNARFG-KAMYIIQDSA-N 418.544 2.753 10 40 HFCB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 6367574 KFICDZIZFJUGRG-UHFFFAOYSA-N 402.410 2.811 10 40 HFCB COC(=O)c1c(NC(=O)C[C@@H]2SC(N)=NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 8693856 NBJBGYVZDDHBBX-SKDRFNHKSA-N 423.560 2.971 10 40 HFCB COc1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3Cl)CC2)cc1 20481468 BOEUQDRYNRNTGS-UHFFFAOYSA-N 423.922 2.683 10 40 HFCB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9140915 GBFCSWOZWPGCGQ-UHFFFAOYSA-N 420.333 2.759 10 40 HFCB CCn1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 19716926 LQYUPWDEARDZAS-INIZCTEOSA-N 406.486 2.744 10 40 HFCB COc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)sc2c1 408532333 MIZMZXQADJAMST-GXDHUFHOSA-N 422.466 3.501 10 40 HFCB CCN(CC)c1ccc(C[C@@H]2C(=O)N(c3ccc(N)cc3)N=C2N2CCOCC2)cc1 103313444 GMPPIOWPNHUEGN-QFIPXVFZSA-N 421.545 2.966 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 409009616 GWIPFPXYFBADRX-RKPNYOAGSA-N 424.409 2.522 10 40 HFCB CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(NN=C(c3ccc(C)cc3)S2)C1=O 670421195 GPSOXLDRXTULMN-NRFANRHFSA-N 411.483 2.866 10 40 HFCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1ccc2c(c1)OCCO2 22714841 KEYDCSFZFJNDJU-UHFFFAOYSA-N 409.398 2.818 10 40 HFCB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1C1CCCC1 32118290 ZTSUMHXBMLBMSL-ALRNZDJHSA-N 401.557 2.912 10 40 HFCB N=C1Nc2nc3ccccc3n2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 575442879 ATTKTGXSSXNTJR-CYBMUJFWSA-N 403.196 2.909 10 40 HFCB O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 13801547 WHIGFMGDZUQFMR-ZROIWOOFSA-N 401.425 2.847 10 40 HFCB Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733547 RKOIUBAYLCIFKV-QHCPKHFHSA-N 409.530 2.556 10 40 HFCB CN1CCN([C@H](CNC(=O)COc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22734724 WFRHTTPWMPCREA-XMMPIXPASA-N 422.573 2.553 10 40 HFCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)OC)cc1 408785294 WBSLWPSDGLPPQG-WQRHYEAKSA-N 401.459 2.957 10 40 HFCB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 4500375 YVTPDLCFPIQGGA-UHFFFAOYSA-N 411.458 2.876 10 40 HFCB O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1CCCN1CCOCC1 13735818 WAAGJFLCOKUSTK-SSZFMOIBSA-N 400.529 2.553 10 40 HFCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN([C@H]1CCS(=O)(=O)C1)C3 21670315 RUYRHZYXZRUWTI-LBPRGKRZSA-N 423.446 2.547 10 40 HFCB biogenic O=C1NN[C@@H](c2ccccc2O)[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 6597066 RDXXVOXVYNVJCU-VXKWHMMOSA-N 401.466 2.913 10 40 HFCB CN1C(=O)C(=CNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)N(C)C1=O 8511908 XHGFBUARFFZESK-UHFFFAOYSA-N 414.425 2.552 10 40 HFCB COc1cc(/C=C2/SC(=S)N(NC(C)=O)C2=O)ccc1OC(=O)c1ccco1 33489553 RIYGZRKFEJPEDN-OQLLNIDSSA-N 418.452 2.760 10 40 HFCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2 9337473 KXSBBTRVPZPAHL-UHFFFAOYSA-N 423.469 2.913 10 40 HFCB Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)ccc1F 48988562 ZSPCEVDQVFGGAG-UHFFFAOYSA-N 402.447 2.760 10 40 HFCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408869683 SUMJBHCXQYCMHT-UYRXBGFRSA-N 406.438 2.818 10 40 HFCB CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2 646844 KQBSKIWPRBTNJV-HNNXBMFYSA-N 413.499 2.658 10 40 HFCB COCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2c1=O 72402041 DRXMCGKWKQGSSO-UHFFFAOYSA-N 421.497 2.619 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 95483525 VUNJHOBREMNVOV-FOWTUZBSSA-N 404.378 2.969 10 40 HFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408994589 ICBZRYYYDWJKHF-QPEQYQDCSA-N 401.806 2.537 10 40 HFCB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 5333976 ATZWJHWFZCMVIA-VGOFMYFVSA-N 414.801 2.707 10 40 HFCB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8800802 CUALGTNSCCNEFL-SFHVURJKSA-N 423.966 2.922 10 40 HFCB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccccc1 12528696 QENTUAOALFXVJG-RTBURBONSA-N 422.481 2.995 10 40 HFCB CN1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 19618536 QAZYEXLWIPDUQH-QINSGFPZSA-N 409.964 2.705 10 40 HFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59489878 ATBGUEHTULKXKV-UHFFFAOYSA-N 402.403 2.575 10 40 HFCB CSc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 4971162 BIGFSOQJIYWLRW-XWFJYDPRSA-N 408.530 2.808 10 40 HFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1 408895308 DWVXBFHXPUIBPO-LGMDPLHJSA-N 411.845 2.843 10 40 HFCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c1OC 1300562 MXYAIYKBKYMFJH-XNTDXEJSSA-N 416.480 2.956 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2n1 4570530 VAXQHCFGNSQUQN-UHFFFAOYSA-N 406.903 2.767 10 40 HFCB C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9302900 ARKDICXRIRCYMI-RYTIGUFHSA-N 416.524 2.589 10 40 HFCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCN2CCOCC2)cc1 19920958 KQUPDPPEOQNEKL-PYCFMQQDSA-N 420.513 2.642 10 40 HFCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 408994833 JUDBMTMTTYDGLX-ZSOIEALJSA-N 415.833 2.626 10 40 HFCB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C/N=N/c1ccccc1)OC(C)=O 4758385 FEDNZHOZZFZXGV-DTBYMAHSSA-N 420.418 2.642 10 40 HFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/NCc1noc(-c2ccccc2)n1 20592299 WDRMUJOIMZVCLC-XNTDXEJSSA-N 423.816 2.647 10 40 HFCB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 4868475 GMPVYXMEPKRDDB-ZIAGYGMSSA-N 420.465 2.991 10 40 HFCB O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 33455674 XRYAKJJVIVQYDU-ZROIWOOFSA-N 411.326 2.565 10 40 HFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1 97944366 MTALYJHCNPZDMJ-CYVLTUHYSA-N 418.453 2.892 10 40 HFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1Cl 19079562 YWAGUAFOCGMEDP-UHFFFAOYSA-N 418.909 2.517 10 40 HFCB CN([C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O 260793372 IXMWRQVVOIRSTP-FQEVSTJZSA-N 401.532 2.536 10 40 HFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC 409409822 XLYSHHVIYQVUTL-JYRVWZFOSA-N 403.232 2.928 10 40 HFCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(C)c3OC)C(=O)NC2=S)cc1 4738868 IQCALJMDBZJGBE-WJDWOHSUSA-N 412.467 2.852 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 10113138 GXJZFHIDRTXMNA-UHFFFAOYSA-N 401.532 2.759 10 40 HFCB CN1CCCc2cc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)ccc21 54360860 SWSKJKLOAIPAAH-MKRLJBPISA-N 420.512 2.588 10 40 HFCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccccc1NC(=O)C(F)(F)F 16450221 SVENKUHLCPDGPW-BENRWUELSA-N 424.379 2.894 10 40 HFCB Cc1cc(C(=O)CN2CCc3ccccc3C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 40161463 SCMCQYXSUAYBJT-UHFFFAOYSA-N 423.538 2.983 10 40 HFCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC 10906319 XMNITGXXHSVEDX-UHFFFAOYSA-N 415.446 2.721 10 40 HFCB COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(C)on3)c3ccco3)CC2)cc1 38598087 IJADEUWXDDBONT-FQEVSTJZSA-N 410.474 2.878 10 40 HFCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)N1CCCCC1 106756295 MKHZTEFEQOWNSK-JXAWBTAJSA-N 415.515 2.572 10 40 HFCB CN1CCN(c2ccc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1 216929224 SYDOUOWLWYWYIK-UHFFFAOYSA-N 414.531 2.896 10 40 HFCB COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253414376 XGWZPUCSVADZRO-KRWDZBQOSA-N 424.453 2.606 10 40 HFCB biogenic Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 408529194 HEZQHNJUHNQTCE-MHWRWJLKSA-N 409.402 2.603 10 40 HFCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 1006018 NSAZQRANULGKCA-LICLKQGHSA-N 420.487 2.903 10 40 HFCB CCCCOc1ccc(/C=C2\SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1OC 5373749 ZCEIYXANMQLPRS-CDCQXCROSA-N 411.501 2.521 10 40 HFCB O=C1N=C(S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 13174856 LSZFVBHHUXRATL-AQTBWJFISA-N 411.458 2.905 10 40 HFCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c(C(=O)O)n(C)c4ccccc34)CC2)cc1 36354729 MBFJHTGEBKNONP-OAQYLSRUSA-N 423.469 2.833 10 40 HFCB COc1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 107714890 UXRDOEHKWBXVLU-UHFFFAOYSA-N 405.838 2.984 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408885133 XBMQPNAKJYTOKH-UHFFFAOYSA-N 417.830 2.742 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)s1 408956484 XJYMUEQZWPHVHT-UXBLZVDNSA-N 421.228 2.906 10 40 HFCB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 2251055 UAKTUICKUDCXHI-QPEQYQDCSA-N 418.862 2.912 10 40 HFCB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(N(C)C)cc1 20636781 IDELCLPBTHLVKP-NHCUHLMSSA-N 420.513 2.517 10 40 HFCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408805195 JMAQPRZUOPBXNK-NTEUORMPSA-N 417.215 2.830 10 40 HFCB COc1ccc(N2C(=O)/C(=C\NCCc3c[nH]c4ccccc34)C(=O)NC2=S)cc1 3771426 XFNSAYZGAWAJIA-AQTBWJFISA-N 420.494 2.640 10 40 HFCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5340645 UEVDVBYHWGZWRD-JOCHJYFZSA-N 408.546 2.631 10 40 HFCB O=C1N=C(O)N(Cc2ccc(F)cc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 9087088 XETITEXRUFBVRH-CWDSQJGSSA-N 423.448 2.619 10 40 HFCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NNc1cccc2ccccc12 408529429 JOTBRYQYKKMROQ-XDJHFCHBSA-N 400.438 2.961 10 40 HFCB CN1C(=O)C(=Cc2cccn2-c2cccc(Br)c2)C(=O)N(C)C1=S 409008733 DDKSSFKVKQFNNA-UHFFFAOYSA-N 404.289 2.839 10 40 HFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)O)c2)C1=O 409073080 UURTVKIIHWDSDE-NVNXTCNLSA-N 414.801 2.778 10 40 HFCB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)c(OC)c1 409096610 DTGJFYCSWZBKDZ-KPKJPENVSA-N 418.858 2.894 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N(C)C)cc1 4330443 DEWJYTXVLOEOOO-SFHVURJKSA-N 406.889 2.903 10 40 HFCB CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(N2CCOCC2)cc1 8780393 NRIIYCFAFJERSH-UHFFFAOYSA-N 422.529 2.721 10 40 HFCB CNC(=O)c1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=O)c2ccccc12 10913550 FKHQQGPEVCLYTG-UHFFFAOYSA-N 419.529 2.836 10 40 HFCB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 408526253 AMQNUMOOXHYPGA-PKNBQFBNSA-N 416.777 2.836 10 40 HFCB O=C(CS(=O)(=O)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5189757 APUUKUCNADGJJW-UHFFFAOYSA-N 405.431 2.874 10 40 HFCB C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 12381031 KMSRNEIUMVWFIJ-RCEBRVLHSA-N 414.801 2.858 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1F 13008651 YFTAOWDRLAOWQK-NRFANRHFSA-N 412.509 2.874 10 40 HFCB COc1ccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 1361479 QOBLAVWFUYCKGE-UHFFFAOYSA-N 401.474 2.605 10 40 HFCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 16544893 MNBLJDHYDXCXTG-PTNGSMBKSA-N 413.393 2.588 10 40 HFCB COc1ccc(N2CCN(Cn3nc(-c4ccccc4OC)ccc3=O)CC2)cc1 79475491 GQNXWPWLYNDUOA-UHFFFAOYSA-N 406.486 2.707 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 408951074 HTXMNXOJLSWQGG-LICLKQGHSA-N 417.377 2.578 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OCC)cc3)nnc2n1 12377874 LJBUKGNOQWAJED-UHFFFAOYSA-N 416.511 2.512 10 40 HFCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 16729301 ADZMRZJMVLEZHT-VPMLRQHESA-N 418.359 2.837 10 40 HFCB O=C(C1=CN(c2ccc3c(c2)OCCO3)c2ccccc2S1(=O)=O)N1CCCC1 38655249 PFXWCKGSCWMECX-UHFFFAOYSA-N 412.467 2.847 10 40 HFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)NC2=S)c1 408741429 PSNDJAWQDKPAEQ-MHWRWJLKSA-N 412.467 2.934 10 40 HFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 5879788 VUNJHOBREMNVOV-VBKFSLOCSA-N 404.378 2.969 10 40 HFCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCc1cccs1 6428074 NDJVPMXRFYMUGE-UHFFFAOYSA-N 405.431 2.997 10 40 HFCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCC3)ccc21 8800954 KURQLLHCQITFAO-OAQYLSRUSA-N 403.523 2.933 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2 102332539 PJXIAMDZVXMOTN-CALCHBBNSA-N 406.438 2.957 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)C2=O)cc1 408803287 NGMPCEOGTSFYLG-NTEUORMPSA-N 414.801 2.802 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)o3)CC2)cc1 6100350 ZQWGKIPEGZIDLO-UHFFFAOYSA-N 411.487 2.581 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 224514566 QRCSWMHIJPDGLN-UHFFFAOYSA-N 401.532 2.955 10 40 HFCB Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C 408849306 WAMVYMMQLQEIJI-YBEGLDIGSA-N 403.394 2.882 10 40 HFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C(=O)NC1=S 409390896 GEHOIWRICXSJJO-WOJGMQOQSA-N 410.499 2.699 10 40 HFCB COc1ccc(N2CCCN(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc1 48340458 VXYNZIUJYXFFLO-VGSWGCGISA-N 400.523 2.666 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1cccc(O)c1 54361168 UZPLOLKARNSNQD-SXGWCWSVSA-N 408.464 2.882 10 40 HFCB COc1ccc(N2CCCN(CC3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 248132662 LPCHNMCHFBSYPN-JOCHJYFZSA-N 401.551 2.625 10 40 HFCB Cc1cc([N+](=O)[O-])c(C)cc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408539673 XYDZMNABCLGHFU-FOWTUZBSSA-N 408.414 2.829 10 40 HFCB COc1ccc(N2CCN(C(=O)CNC(=O)Cc3cccc4ccccc34)CC2)cc1 5689404 JMJJMUBBKBBAHP-UHFFFAOYSA-N 417.509 2.856 10 40 HFCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CC(=O)N1CCCC[C@@H]1CCO 6660988 CCJIQGYHVUDYHV-DFSFMLJYSA-N 408.520 2.790 10 40 HFCB Cc1cc(=O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1 10907762 RWGDQOSHFRRLSK-UHFFFAOYSA-N 418.497 2.650 10 40 HFCB CC(C)(C)c1cc(O)c(O)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1 16695045 VLILNZACSBJZGI-UHFFFAOYSA-N 410.561 2.963 10 40 HFCB COc1ccc(N2CCN(C[C@H](O)COCCOc3c(C)cccc3C)CC2)cc1 22608905 ULOFMMSSDWYEDX-QFIPXVFZSA-N 414.546 2.891 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 108973484 BICVGSGCDGTQAY-MHWRWJLKSA-N 416.480 2.956 10 40 HFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@H](c2cc(F)ccc2F)CC1 219328997 PGXHVJCCAOIEBB-ZDUSSCGKSA-N 402.513 2.832 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 102945781 BXNHLUPSDGPLCF-FYTMPNSFSA-N 421.413 2.919 10 40 HFCB COc1ccc(N2CCN(CCNC(=O)c3ccc(Br)o3)CC2)cc1 11899983 DFKPGJSPUDDAKN-UHFFFAOYSA-N 408.296 2.603 10 40 HFCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409210244 FSNDRNVJQFEVQQ-IQGJIOQQSA-N 404.488 2.901 10 40 HFCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 4622747 RBGNNKQRFMJPBM-LJQANCHMSA-N 417.868 2.942 10 40 HFCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N21 20207284 JRCLYVNADXUULJ-UZIRPGAUSA-N 401.473 2.568 10 40 HFCB CN(CCO)c1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 72327147 NLXFEPMMYWIHMZ-UHFFFAOYSA-N 405.546 2.595 10 40 HFCB COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC 225776037 HCMVCWTUMOKGKF-UHFFFAOYSA-N 400.548 2.942 10 40 HFCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)o1 6714568 HYNAJWZFXZLCNX-WJDWOHSUSA-N 413.405 2.898 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1Cl 8964002 VCXPLLIARHAJPB-HXUWFJFHSA-N 414.937 2.998 10 40 HFCB COc1ccc2c(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)c[nH]c2c1 9576359 FRPXQEFBXYYSHJ-IAEDUXEVSA-N 420.468 2.696 10 40 HFCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13645153 CWNFOYBAHBGDQX-ZWIPKHHJSA-N 418.359 2.837 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 100149960 FVKSMGCGVGWZEW-BMWRIWPGSA-N 401.513 2.949 10 40 HFCB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccc(N(C)C)cc1)N=2 408732592 SECARRHYGTWEQF-IISPMBILSA-N 413.543 2.725 10 40 HFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 4949854 AUCQJJVQRSYGJX-RAXLEYEMSA-N 411.370 2.669 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1 15786340 RYPUDYBHKSCDNK-UHFFFAOYSA-N 407.514 2.800 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c(C)c1 13551362 IMZWHNUEFCLYNE-GDNBJRDFSA-N 408.414 2.944 10 40 HFCB COc1ccc(N2CCN(c3nnc(SCC(=O)NC(C)(C)C)s3)CC2)cc1 23140037 IRPDVKLRULFQHU-UHFFFAOYSA-N 421.592 2.880 10 40 HFCB NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409210399 JLFZOZLGUPIQLZ-OVCLIPMQSA-N 415.452 2.865 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 8971716 SWFMWKPOYYJJCH-UHFFFAOYSA-N 409.398 2.822 10 40 HFCB CCOC(=O)CSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)N1 408988124 GYLMHICUVBKIGQ-SFHVURJKSA-N 405.520 2.886 10 40 HFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccn3)SC2=S)cc1OC 4872012 GLRYGHPGXCAZBY-XNTDXEJSSA-N 401.469 2.645 10 40 HFCB O=C(O)[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 33542237 FYWZVUFKOHWPBX-AYYGCFCKSA-N 422.503 2.883 10 40 HFCB COc1ccc(N2CCN(S(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)CC2)cc1 101191500 XXLAEFAPMKKSHM-IERDGZPVSA-N 406.548 2.542 10 40 HFCB S=C(NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)Nc1ccccc1 408724311 ATGBBRSCJGSNGS-UHFFFAOYSA-N 406.519 2.951 10 40 HFCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 409239082 GFXBJATWZFFZRO-MKMNVTDBSA-N 411.215 2.992 10 40 HFCB COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2ccc(O)c(CN(C)C)c2)c1 12182577 FDSNJHLZGCWWIO-KNQAVFIVSA-N 401.482 2.711 10 40 HFCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(OS(C)(=O)=O)cc3)C(=N)N21 20154674 AXMFJQBQDOXALJ-XWFJYDPRSA-N 424.529 2.743 10 40 HFCB COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)cc1 57670546 CBIBLYKFGPFRHC-NHCUHLMSSA-N 414.554 2.770 10 40 HFCB CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260888557 BJSBEOJPZKLIQK-INIZCTEOSA-N 401.532 2.761 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(C)=O 408538210 ZEPGTMMCIAXFLZ-QPNORMDRSA-N 412.442 2.661 10 40 HFCB Cc1cc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1Br 408547111 YWGBRGBBFFTBBR-JYRVWZFOSA-N 404.220 2.925 10 40 HFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)SC1=S 109045378 JNCALKOSIAEWHZ-YBEGLDIGSA-N 421.569 2.963 10 40 HFCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O)C(=O)O 409191521 YCYAIQFQISEZHK-BVRAVYJCSA-N 414.414 2.509 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Cl)cc1OC 409393612 RHOYNRGWOAZPTE-MDWZMJQESA-N 401.806 2.809 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1O 4690246 CVVYOBHZWFHTFA-RIYZIHGNSA-N 412.467 2.858 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O 5345820 JUUAEHAKSHSTGH-NTUHNPAUSA-N 404.425 2.523 10 40 HFCB CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870095 IIQDAZUCAOURAC-AYYGCFCKSA-N 422.528 2.656 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 9423874 KZMILANJCUWEQX-GFAPJHNFSA-N 402.453 2.754 10 40 HFCB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N4CCCC4)cc2)CC3)C[C@H](C)O1 72347287 OKZHUIUIGIUKAK-ROUUACIJSA-N 423.561 2.954 10 40 HFCB Cn1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cn1 96114708 VBIIPPAAVOBOMA-GFCCVEGCSA-N 420.377 2.751 10 40 HFCB biogenic COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408855515 NRHIHQHCDHKYRN-WOJGMQOQSA-N 408.410 2.522 10 40 HFCB NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(SC(F)F)cc2)cc1 3276869 DNKCYXINZAYPMA-UHFFFAOYSA-N 404.489 2.962 10 40 HFCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1C 10113568 ILPKIHUEFFONBW-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB O=c1oc2c(CNCCCN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2 20591547 AKWUXZQOWZJVGG-UHFFFAOYSA-N 406.910 2.843 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)cc1 35291220 JRNJTFXLMZZULR-UHFFFAOYSA-N 409.534 2.667 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409067081 PBAZDTAKOHAOMX-XSFVSMFZSA-N 421.453 2.507 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc1OC 27530635 NTEPGJXULAFPAQ-XNTDXEJSSA-N 415.496 2.939 10 40 HFCB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCCO2 32826931 YKQROCSASJDBMK-UHFFFAOYSA-N 416.437 2.853 10 40 HFCB O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1CCCN1CCOCC1 54361201 BXABVGQUIBFNRB-ATVHPVEESA-N 400.529 2.553 10 40 HFCB CN1CCN([C@H](CNC(=O)NCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 35597264 QEAAGFVGGKSVIF-XMMPIXPASA-N 421.589 2.509 10 40 HFCB COc1cc2c(cc1OC)[N+]1(C)CC[C@@H]3OCC[C@@H]4C[N+]5(C)CC[C@@]26[C@@H]5C[C@H]4[C@H]3[C@@H]61 103843084 ZVHCBDBTPYDNEZ-CCFQWLGTSA-N 412.574 2.938 10 40 HFCB COc1ccc([C@]2(O)CN(c3cc(OC)ccc3OC)C3=[N+]2CCCS3)cc1 2965871 FIXGJEQVHPCWNQ-OAQYLSRUSA-N 401.508 2.883 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 12659799 HGRYZDAVDKAXEH-BSKAQADGSA-N 405.458 2.589 10 40 HFCB biogenic CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 216941274 KAULRUNOLUVWOC-UHFFFAOYSA-N 424.364 2.679 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 408733669 ZIGWEJOALRKGNU-UHFFFAOYSA-N 417.284 2.942 10 40 HFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409105004 HLDRNNFXSPIHBE-XDJHFCHBSA-N 405.454 2.752 10 40 HFCB Cc1cc(C(=O)COC(=O)[C@H]2CC=CCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6291018 CJOVDVFUFVCRNR-INIZCTEOSA-N 416.499 2.824 10 40 HFCB CN(C)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 16734052 KPTCERUHAFPVAJ-UVTDQMKNSA-N 412.496 2.755 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)cc1 408859727 YOOLRWMIHWWKMO-RNEAKCBISA-N 424.409 2.604 10 40 HFCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccc(C)cc3C)C1=O)OCO2 409072875 NVUBBAQJSOAVMH-AUWJEWJLSA-N 410.451 2.872 10 40 HFCB Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 2116915 JZASCWJIYKAXHJ-GZTJUZNOSA-N 404.488 2.820 10 40 HFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c1 5477745 KKFVXEHYGDUCSD-GDNBJRDFSA-N 401.469 2.645 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S 8991073 AAMPLAGIHYSXSU-FYQHACEVSA-N 402.453 2.754 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 223788085 PTWDKIJASXCTFC-UHFFFAOYSA-N 403.548 2.611 10 40 HFCB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 409192235 VVKHFPSZJHDXHF-UHFFFAOYSA-N 402.790 2.915 10 40 HFCB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 409196342 ZDSHLCFSVMAWIH-ZRRZQRFHSA-N 414.801 2.858 10 40 HFCB O=S1(=O)CCN(c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)CC1 72312976 PGXMBBJEWHZAPE-UHFFFAOYSA-N 418.899 2.515 10 40 HFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 5477883 BVKOTIOMUHZFPA-OBGWFSINSA-N 421.453 2.588 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C(=O)N=C1O 8968953 CIYJBNZKEXNPPH-DQSGYLJSSA-N 405.458 2.793 10 40 HFCB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409204233 DTCAOMMIXMHTAT-BOPFTXTBSA-N 409.442 2.609 10 40 HFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C(=O)NC1=S 409392046 NJMRAOXZXKLHRC-MHWRWJLKSA-N 411.483 2.747 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N(C)C)ccc21 8963911 QIGCLSMSYKAVAK-LJQANCHMSA-N 418.900 2.829 10 40 HFCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cccc(Br)c1 408999725 XMEAELRGQZKDOH-UHFFFAOYSA-N 404.289 2.771 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1C 409189246 NUYFRRVMWZAQFR-MPMPPSQCSA-N 424.478 2.987 10 40 HFCB COc1ccc(COC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(N(C)C)cc2)cc1 4884666 MELKNYMJVGXNTO-HXUWFJFHSA-N 420.473 2.780 10 40 HFCB CCOC(=O)c1c(NC(=O)C[C@H](NCc2ccco2)C(=O)O)sc2c1CCCC2 5258918 WGSKBUNWNVICJA-AWEZNQCLSA-N 420.487 2.968 10 40 HFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408901745 ZQWPATHZDRLMGT-CXUHLZMHSA-N 410.426 2.996 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 5427281 FVKSMGCGVGWZEW-QKKJRQINSA-N 401.513 2.949 10 40 HFCB COC(=O)c1cccc(N/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c1 5489597 ORLYOXCYQPJNOG-GHRIWEEISA-N 413.499 2.903 10 40 HFCB COc1ccc(N2CCN(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)CC2)cc1 43832260 HEKFHVIBJRFGAQ-UHFFFAOYSA-N 403.504 2.761 10 40 HFCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Br)o1 409202035 NWZHARHUZVZYDN-YRNVUSSQSA-N 406.148 2.617 10 40 HFCB CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N(C)C1=S 4723937 YQMQGQXAEJPSKX-UHFFFAOYSA-N 410.451 2.563 10 40 HFCB COc1ccc(N2CCN([C@H](C(=O)O)c3cn(C)c4ccc(C(=O)O)cc34)CC2)cc1 36365647 KYHXIQSOKAVRCI-NRFANRHFSA-N 423.469 2.833 10 40 HFCB COc1ccc(N2CCN([C@H](CNC(=O)c3cc(C)on3)c3ccco3)CC2)cc1 38598088 IJADEUWXDDBONT-HXUWFJFHSA-N 410.474 2.878 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 12659797 HGRYZDAVDKAXEH-GDLUXTLDSA-N 405.458 2.589 10 40 HFCB biogenic CN1C(=O)C(=Cc2ccccc2OCc2cccc(C(=O)O)c2)C(=O)N(C)C1=S 4723835 NYZLEUXVNLXNCD-UHFFFAOYSA-N 410.451 2.563 10 40 HFCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCN1CCNCC1 100163335 QAGNNAQBZQGBIV-XDJHFCHBSA-N 412.563 2.568 10 40 HFCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409392987 ONORAAQYQZWHBY-UKTHLTGXSA-N 402.204 2.519 10 40 HFCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408773199 HHQMEPXILDPPJL-HYTQYMIGSA-N 420.465 2.985 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1 409187887 VPULZMMXKLMZRP-XDHOZWIPSA-N 422.437 2.992 10 40 HFCB O=C(Nc1ccc(Cl)cc1)c1cnn2c(O)cc(CCCN3CCOCC3)nc12 19335567 MDQLUPBGUPGLGV-UHFFFAOYSA-N 415.881 2.605 10 40 HFCB COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3C[C@H]3CCCO3)CC2)cc1 57670544 CBIBLYKFGPFRHC-RTWAWAEBSA-N 414.554 2.770 10 40 HFCB COc1cccc(N2C(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C(=O)N=C2S)c1 103107292 MJFQGDFDSAHXRM-BOPFTXTBSA-N 410.455 2.809 10 40 HFCB CC[C@H](C)[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374929 UWBNFHKZXMTDRN-BMKJPTANSA-N 406.529 2.812 10 40 HFCB COc1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 9111334 ONLLKIQWTNBOGA-UHFFFAOYSA-N 421.478 2.643 10 40 HFCB CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589105 JDJACADOKJBXLQ-JOCHJYFZSA-N 410.562 2.870 10 40 HFCB Oc1ccc(C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4O)c(O)c1 19332222 ZPQDPXOLOQOQRW-UHFFFAOYSA-N 414.505 2.978 10 40 HFCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Br)cc1 408938399 QIPLMNLXWMNONE-NTEUORMPSA-N 415.199 2.814 10 40 HFCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 409134131 MWEJXVQCDXHDNA-BOPFTXTBSA-N 415.540 2.721 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1F 10113561 JQTVGWMNYJILBT-UHFFFAOYSA-N 405.495 2.508 10 40 HFCB COC(=O)c1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 409191263 FQYQNNPTHWJVMG-UHFFFAOYSA-N 402.790 2.820 10 40 HFCB CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 1464536 RXTDCHDINNUTLH-SDNWHVSQSA-N 400.529 2.762 10 40 HFCB COc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(OC)c1OC 8453084 LLGNRBRETHKWSH-XDWVVYBHSA-N 414.365 2.894 10 40 HFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 9311438 PGZLTTMKDSSVFU-ZROIWOOFSA-N 415.199 2.814 10 40 HFCB COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408780487 ZQXJSDDOAWVVLE-XNTDXEJSSA-N 414.801 2.558 10 40 HFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2)cc1 408904876 PVVYOYVFBKFMRF-UHFFFAOYSA-N 423.494 2.611 10 40 HFCB COc1ccc(N2CCN(CC[C@H]3Oc4ccc([N+](=O)[O-])cc4NC3=O)CC2)cc1 1399541 WOURLHRFNVFMPF-HXUWFJFHSA-N 412.446 2.515 10 40 HFCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 17093559 UJVQCCJXSSLYEN-JCMHNJIXSA-N 423.469 2.773 10 40 HFCB CCCCCCN1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O 100756873 MLVMSAHZSBXQGQ-CAPFRKAQSA-N 412.534 2.783 10 40 HFCB CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733242 YXBGXTSAHRPFEP-JOCHJYFZSA-N 409.530 2.881 10 40 HFCB O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)N1 408805051 CSVUHVWYLRSVND-UHFFFAOYSA-N 401.216 2.778 10 40 HFCB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c(C)c1 408992788 BYWAZYJXNCQPSX-UHFFFAOYSA-N 409.442 2.623 10 40 HFCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCn1ccnc1 9187670 UJQWHLLTFPECCQ-FZAQZHIUSA-N 412.540 2.847 10 40 HFCB COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3cccc(-c4cc[nH]n4)n3)C2)cc1 257231828 GIIHJBAJCSTRNV-JOCHJYFZSA-N 421.501 2.907 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 408881251 KMBVLZGUFOJDSK-NTEUORMPSA-N 414.801 2.889 10 40 HFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N2CCCC[C@@H]2CCO)C1=O 6660838 WCWDCICKCNRQGK-UHVIJJLKSA-N 420.556 2.660 10 40 HFCB CN1C(=O)C(=CNc2cccc(-c3nc(-c4ccccc4)no3)c2)C(=O)N(C)C1=O 9344250 ITJYFJMATHUPID-UHFFFAOYSA-N 403.398 2.750 10 40 HFCB COC(CN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1)OC 17088450 YYYAPWGFAXTIFR-RGEXLXHISA-N 410.430 2.828 10 40 HFCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCN(C)CC4)o3)C2=O)cc1 19825222 JWHXOZBLEATNKB-JXAWBTAJSA-N 424.457 2.937 10 40 HFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@H]43)sc2n1 50781084 QORHEZBPORESSQ-ZIAGYGMSSA-N 403.504 2.822 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)c(OC)c1 408961415 SRWCBTVYHOSYDV-QGOAFFKASA-N 421.453 2.970 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1 409206413 JHEYSNWASCPJDW-FUNKKEAFSA-N 407.470 2.946 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 15034696 PBJGUQKNXMRPDS-GFAPJHNFSA-N 408.501 2.662 10 40 HFCB COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733273 JFWKUERBDXAPLT-DEOSSOPVSA-N 423.557 2.810 10 40 HFCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 32115718 LQTIJQPZMXQJMU-UHFFFAOYSA-N 412.471 2.909 10 40 HFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)NC1=S 409393064 UVYSSOGSQVRUNO-GZTJUZNOSA-N 411.483 2.527 10 40 HFCB CC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374975 LDEORJMMHBUTRR-OYKAEDKLSA-N 404.513 2.814 10 40 HFCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(Cl)c1 16038710 DTCZMRPDOGGJSM-KSZLIROESA-N 420.852 2.742 10 40 HFCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 100423240 XLJQGEMGMKGKEO-FXBPSFAMSA-N 400.523 2.784 10 40 HFCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(I)o2)SC1=S 1239077 ZVJKVHQQSVLNNZ-ZQOTZMJXSA-N 423.253 2.647 10 40 HFCB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)cc(OC)c1O 408815433 HRHWYRRGOAKAFA-LBPRGKRZSA-N 401.282 2.519 10 40 HFCB CN1CCCc2cc([C@@H](CNC(=O)Cc3ccc(F)cc3)N3CCOCC3)ccc21 13008311 XPNGVBZGOZGMSE-HSZRJFAPSA-N 411.521 2.940 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 408873311 SQMUCOBCNYVBLD-UHFFFAOYSA-N 417.284 2.942 10 40 HFCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CC2)cc1 40140406 PCDJBXQSKYOAIB-UHFFFAOYSA-N 402.520 2.638 10 40 HFCB CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC 408537796 XIIMAQDFMLVBEX-CHWIHTJVSA-N 412.442 2.661 10 40 HFCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)C1 2256169 SXQBEJSRJACLTG-FMNVXAMXSA-N 404.488 2.949 10 40 HFCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)N(C)C)ccc21 8798789 LKUIVOPCKNYNNQ-LJQANCHMSA-N 409.502 2.928 10 40 HFCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCCC3)ccc21 8800955 KURQLLHCQITFAO-NRFANRHFSA-N 403.523 2.933 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N(C)C)ccc21 13008643 ZFRGVBPGRUEEIA-FQEVSTJZSA-N 416.472 2.705 10 40 HFCB C[C@H](NC(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccc(N2CCOCC2)cc1 19659857 XNVWIDLLZLPWLH-AWEZNQCLSA-N 415.877 2.962 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)S1 408766216 PSLSSYXTVRMSGI-BOPFTXTBSA-N 416.480 2.869 10 40 HFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)NC2=S)c1 408992652 UOPQVEHBUYSJHG-LICLKQGHSA-N 410.451 2.598 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409147070 URWXTYXCKYLWFH-SFQUDFHCSA-N 409.417 2.637 10 40 HFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)O 409233243 UHQKCBTWCHWLMJ-XDUBLRSXSA-N 424.409 2.522 10 40 HFCB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N(C(C)=O)N1C 5609975 MLSSXXUXBFSNNY-OAQYLSRUSA-N 409.490 2.843 10 40 HFCB CC(C)[C@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2ccco2)SC1=S 6907192 YIILIHXGRPELRG-CKNOQMABSA-N 404.517 2.587 10 40 HFCB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)ccc1OC 225500422 YQKSTOGFXRAFIH-UHFFFAOYSA-N 419.547 2.770 10 40 HFCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1C 13649305 WKLXQUCPZPJYGJ-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)n[nH]c2C)C1=O 408755290 DDGWJBMAPFDADD-GHXNOFRVSA-N 418.251 2.676 10 40 HFCB CN(C)c1ccc(/C=C/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409218214 ZHUAEBPPQUSVGW-DPRLKLTMSA-N 408.433 2.979 10 40 HFCB CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2cccc3cccnc23)c(=O)[nH]c1=O 12879645 FRTXJBWNHJWUTE-VAWYXSNFSA-N 421.501 2.924 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O 9429736 GEAHNZQFDYTOAS-NVNXTCNLSA-N 414.464 2.930 10 40 HFCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c2C)cc1 108253124 XGPOKCMWIHFMQI-JXMROGBWSA-N 424.413 2.726 10 40 HFCB C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC(N)=O)c3ccccc32)SC1=S 27024794 XURZQFMXCXXQDQ-GHXQLAGASA-N 423.519 2.851 10 40 HFCB CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 223120413 CBBIXCPUUQSSCP-CHWSQXEVSA-N 423.564 2.772 10 40 HFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cn2)C1=O 408530993 JZJRNDVWEXVZRR-FMIVXFBMSA-N 401.220 2.731 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 408901302 WZXUDSWFSYCDBE-GZTJUZNOSA-N 410.426 2.996 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)CC2)cc1 71289045 FYDSUMOKJJCSIH-UHFFFAOYSA-N 415.925 2.704 10 40 HFCB COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)NC2=S)c(OC)c1 409064976 JUGGHTZRMZVHSL-WJDWOHSUSA-N 411.483 2.601 10 40 HFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409190106 KTTQKOMNRJRQOK-KPKJPENVSA-N 402.815 2.575 10 40 HFCB CCc1ccc(OCCOC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 23224708 VMAMOJAPGXUFQI-JOCHJYFZSA-N 414.546 2.836 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)S1 408753108 LKXDMWQYSPGOTM-BOPFTXTBSA-N 416.480 2.869 10 40 HFCB CC(=O)NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1776395 CYHRFWRZWCXLEC-WUKNDPDISA-N 409.492 2.856 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCCC3)ccc21 8964110 CGTSHYYVZCFWRA-NRFANRHFSA-N 410.493 2.710 10 40 HFCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N(CCO)Cc1ccccc1 12273932 OLHIFLXLOOMYPC-LFIBNONCSA-N 418.565 2.970 10 40 HFCB COCc1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=O)c1CCC(C)C 22448886 UTLXFLCTSUGDIZ-UHFFFAOYSA-N 400.523 2.840 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c1OC 4942282 ZWQMYCYRINQTLZ-ZROIWOOFSA-N 401.469 2.645 10 40 HFCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCC(NS(C)(=O)=O)CC3)c2C)c1 24684435 XFBQUIVLXNYOTI-UHFFFAOYSA-N 417.575 2.907 10 40 HFCB CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 59139276 OBDBXYIZEUBGON-UHFFFAOYSA-N 411.483 2.618 10 40 HFCB CC(C)[C@H](NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)C(=O)O 16805936 OQDPXTKVIZISHN-FZSZEPLDSA-N 404.513 2.669 10 40 HFCB C[N+](C)(C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 6129694 KGFRMPSKUIDVFK-UHFFFAOYSA-O 409.535 2.531 10 40 HFCB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 57050707 NMRBKFCDYOFQSK-UHFFFAOYSA-N 422.485 2.724 10 40 HFCB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1OC 223849748 GZBHVSNWKOSCDJ-UHFFFAOYSA-N 417.531 2.524 10 40 HFCB COc1ccc(-c2coc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1OC 20567647 FEQVPOGMKRQIOM-UHFFFAOYSA-N 410.470 2.930 10 40 HFCB biogenic CN1CCN([C@H](CNC(=O)c2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22734761 BESBOFRKRKVHPY-HSZRJFAPSA-N 410.537 2.927 10 40 HFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 32707996 NMJSKRGHXFRERG-RAJVOEEQSA-N 416.274 2.578 10 40 HFCB CCOc1ccc(N2CCN(Cc3cc(Br)cc(C)c3O)CC2)nn1 1659711292 SXVGVSQDPRXSRF-UHFFFAOYSA-N 407.312 2.974 10 40 HFCB C[C@@H](NC(=O)CCc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)cc1 19714242 OJORAHFIFQUERX-QGZVFWFLSA-N 422.529 2.524 10 40 HFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 56105700 JFKMSAUBDBFHOH-UHFFFAOYSA-N 401.532 2.920 10 40 HFCB NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 2699396 NKGWGANHRSPBNZ-FOWTUZBSSA-N 404.538 2.778 10 40 HFCB COc1ccc(N2CCN(CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)cc1 11853380 XKRJFMFXXZTXRQ-UHFFFAOYSA-N 413.518 2.655 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 408981794 BYPLPPOUKOVLRN-ZSOIEALJSA-N 411.370 2.538 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 39995691 UCWMEXRIVKLMDG-SFHVURJKSA-N 411.477 2.674 10 40 HFCB O=C(O)CN1C(=O)/C(=C/c2cc3cc4c(cc3nc2Cl)OCCO4)SC1=S 256055526 JSVQXQKOBOOMBO-ACAGNQJTSA-N 422.871 2.945 10 40 HFCB O=C1/C(=C\c2cccs2)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 6927954 BEKPZWVYSZGXLF-DHZHZOJOSA-N 407.523 2.603 10 40 HFCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)O 12462289 CKRDHLGUEYHUNO-AUWJEWJLSA-N 416.817 2.582 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc4c(c3)OCO4)c2oc1=O 8764552 JZCGNVVMQXTBEE-UHFFFAOYSA-N 411.410 2.541 10 40 HFCB biogenic O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12388964 WCWXRFHGPYKEHS-QGZVFWFLSA-N 407.470 2.790 10 40 HFCB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12735200 NERQDYZNJDXQPW-UHFFFAOYSA-N 405.476 2.561 10 40 HFCB CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22666235 VNHQBNMGJKRXDU-QFIPXVFZSA-N 416.591 2.555 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl 409191131 SWRNFBZMTVJFDT-MDWZMJQESA-N 416.842 2.878 10 40 HFCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 5120030 VGRUMJOAEXAQAP-LCJGLDDCSA-N 406.471 2.800 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 17091392 PMZGHGHATOHEEF-UHFFFAOYSA-N 418.450 2.579 10 40 HFCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@H]43)sc2n1 50781083 QORHEZBPORESSQ-KGLIPLIRSA-N 403.504 2.822 10 40 HFCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 409394271 XZBBIZLGOOYMKH-WJDWOHSUSA-N 403.350 2.706 10 40 HFCB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(O)c(O)c2)c(=O)o1 16756422 IAZCVMXYQGAJHB-UHFFFAOYSA-N 400.383 2.601 10 40 HFCB NC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 35292563 HYRGWFDDDPBHDW-VTHHOHJISA-N 405.458 2.931 10 40 HFCB Cc1ccc(CN(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 225880634 RWGJWCZCNGWVLD-UHFFFAOYSA-N 415.559 2.673 10 40 HFCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 2680110 QAEWMLDUAYWCSD-GXDHUFHOSA-N 409.485 2.996 10 40 HFCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8870224 JESAKOVEGSVKOE-DHDCSXOGSA-N 413.436 2.954 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 9252715 METONLWYDCZGQB-NVNXTCNLSA-N 414.464 2.930 10 40 HFCB CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)NN2Cc2ccccc2)sc2c1CCC2 646843 KQBSKIWPRBTNJV-OAHLLOKOSA-N 413.499 2.658 10 40 HFCB O=C(O)CN1C(=O)/C(=C\c2cccc(I)c2)SC1=S 3030766 VAZNMWZMUIENRW-WEVVVXLNSA-N 405.238 2.577 10 40 HFCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 8424746 KZRZLBGEOAWJRK-IBGZPJMESA-N 420.513 2.739 10 40 HFCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(N)=O)cc1 408902073 FDYMYZWSRNPSJW-NDENLUEZSA-N 414.490 2.963 10 40 HFCB CCOC(=O)c1cccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)ccc32)c1 64979243 PWBAOLIZWCKYIB-UHFFFAOYSA-N 405.403 2.942 10 40 HFCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 409020531 QFNODVDFXMHIOW-SFQUDFHCSA-N 411.483 2.564 10 40 HFCB Cc1cc(N2CCOCC2)ccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 72336805 PMQWRFANVWLAKT-UHFFFAOYSA-N 417.513 2.535 10 40 HFCB COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 107920697 MFUJHAMCUGCXQY-JYRVWZFOSA-N 418.203 2.827 10 40 HFCB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 409330420 AKBWFYSUIVCILQ-CXUHLZMHSA-N 400.412 2.781 10 40 HFCB CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(Br)c1O 33332454 ULIUQPJDDJQATC-LCYFTJDESA-N 413.293 2.856 10 40 HFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 223920559 YVQRSXZVZFATLM-UHFFFAOYSA-N 403.548 2.924 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1F 224443994 DTECFYJBEZIENX-UHFFFAOYSA-N 419.522 2.504 10 40 HFCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1Br 408589573 DUZRTYHJHTZANL-RIYZIHGNSA-N 418.247 2.834 10 40 HFCB COc1ccc(OC)c(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 2965888 MPWUEAVKZCWXGW-FQEVSTJZSA-N 416.479 2.783 10 40 HFCB CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)N(C)C)ccc21 8798870 TYBZDNVVSNHVDL-LJQANCHMSA-N 409.502 2.928 10 40 HFCB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 102964710 VMUDKNITIJJURZ-YLRSGACBSA-N 415.515 2.559 10 40 HFCB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\N=N\c1ccccc1)OC(C)=O 104389830 FEDNZHOZZFZXGV-WKGJFOMMSA-N 420.418 2.642 10 40 HFCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)c1 408852149 COZBYTAXQTURMJ-LFIBNONCSA-N 424.409 2.849 10 40 HFCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409241119 RJUMSBPLKXYIBU-FOWTUZBSSA-N 407.448 2.504 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)C(C)C)C2=O)cc1 8870105 HEBCSOPWFCGOBY-DKGMDFAASA-N 422.528 2.512 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C(=O)N=C2O)cc1 8974735 HGRYZDAVDKAXEH-ZSFFSCSXSA-N 405.458 2.793 10 40 HFCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)N(C)C)CC3)c2C)cc1C 28729535 YRESYVOGXHMXBL-UHFFFAOYSA-N 410.562 2.599 10 40 HFCB CCOC(=O)C1=C(CN2CCCc3cc(OC)ccc32)NC(=O)N[C@@H]1c1ccco1 32853389 XKVGKYHHZHVVKP-HXUWFJFHSA-N 411.458 2.912 10 40 HFCB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 12564238 JTDLHDFLIDBDEA-UHFFFAOYSA-N 407.580 2.697 10 40 HFCB Cc1occc1C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 96936849 ACQFXBPMUAAPCD-SXGWCWSVSA-N 416.480 2.948 10 40 HFCB CCN(CC)CCN/C=C1/C(=O)N=C(S)N(c2cccc(C(F)(F)F)c2)C1=O 102580465 GEAHDVSLTNCABW-KAMYIIQDSA-N 414.453 2.680 10 40 HFCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408880504 JMARMEAZIASEBE-VIZOYTHASA-N 401.762 2.923 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 408896994 POGWGHPSLXAKOR-XNTDXEJSSA-N 414.801 2.889 10 40 HFCB COc1ccccc1OCCn1c(C)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 4607893 XBDBIYOKEQEWLI-UHFFFAOYSA-N 419.437 2.787 10 40 HFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 9265224 BZVOQMSIFSAKGM-PDGQHHTCSA-N 419.368 2.981 10 40 HFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 13675985 DDKHVDOCDSUBMU-UHFFFAOYSA-N 405.495 2.508 10 40 HFCB COc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 72328749 WUQMNZGFWROIIR-UHFFFAOYSA-N 407.430 2.956 10 40 HFCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100910757 ZTIBWFMJEMTBIF-JSKVEGNKSA-N 400.456 2.749 10 40 HFCB O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 9234056 HKZMVRSJAMGTDY-MDWZMJQESA-N 420.493 2.758 10 40 HFCB COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(N)=O 96446219 IBXVGYRZFSESFX-OVCLIPMQSA-N 404.469 2.554 10 40 HFCB Cc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)c1 408547050 HSALUWAYLOTZKT-WQLSENKSSA-N 404.220 2.925 10 40 HFCB COc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4163976 JKCZWIPVAFHEQT-GOSISDBHSA-N 402.516 2.591 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c(C)c1 12362896 ZTORDMOINPMZIK-RQNDZEIBSA-N 424.478 2.987 10 40 HFCB CN(C)c1ccc(C2=CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C2)cc1 95456521 AARNFBXWBMVYGL-UHFFFAOYSA-N 401.470 2.577 10 40 HFCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3O)C2=O)ccc1Br 408757373 ZAVKJFSNYXPPHC-NTUHNPAUSA-N 417.215 2.835 10 40 HFCB N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 575442882 AXIRIOXTFLOTGD-ZDUSSCGKSA-N 403.196 2.909 10 40 HFCB Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 8671974 OEXOFUIHFWWZRH-UHFFFAOYSA-N 419.384 2.687 10 40 HFCB NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 9971283 FNODMSVAXSSLAI-LFIBNONCSA-N 422.528 2.917 10 40 HFCB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 41085257 JRICUVXOLODFLI-GVMLJBEOSA-N 415.500 2.815 10 40 HFCB COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(CC(C)C)C3=O)c2C)cc1 3441185 KEFPSVYMZFTCCF-UHFFFAOYSA-N 411.458 2.732 10 40 HFCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964130 RHDYFKUFUQUFNP-QFIPXVFZSA-N 422.529 2.579 10 40 HFCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 15674974 FSJRGGOONXUKTQ-MSOLQXFVSA-N 408.458 2.839 10 40 HFCB biogenic,in-vitro Cc1ccccc1N1C(=O)NC(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 19950271 FLFXZOBYJQFUHF-HKWRFOASSA-N 418.497 2.716 10 40 HFCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)OCO2 409103579 CKLCBWHNYQLZLU-ACAGNQJTSA-N 416.842 2.909 10 40 HFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccs1 17089826 CQYSWLQREMEOIY-PDGQHHTCSA-N 414.443 2.986 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)cc1Cl 101653093 HKWUOWBHNOTEEL-NTEUORMPSA-N 413.817 2.634 10 40 HFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22665918 IIJFWSJQJXMTCB-NRFANRHFSA-N 417.575 2.721 10 40 HFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c1cccs1 96193701 BRFWREHWQWJQNZ-UHFFFAOYSA-N 414.439 2.800 10 40 HFCB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)S1 409083327 VETJIPBTKRBICJ-LFIBNONCSA-N 402.453 2.561 10 40 HFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 59489868 AGGRITBMMRNFJO-UHFFFAOYSA-N 402.403 2.575 10 40 HFCB Cc1c(N/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 102482686 VPPAFFROUYCAJH-GHRIWEEISA-N 417.425 2.904 10 40 HFCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408783265 NEVUEVWJVYTJPM-UNOMPAQXSA-N 406.438 2.736 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 408815673 XTWHMNJWUWAKKT-MDWZMJQESA-N 417.215 2.830 10 40 HFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(Br)c1 409002598 VLVNIVCOMZWZER-NVNXTCNLSA-N 402.248 2.948 10 40 HFCB COC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 33667342 NWXGHOYCYDUIKP-UYRXBGFRSA-N 402.406 2.853 10 40 HFCB COc1cc(N2C(=O)/C(=C\c3cccn3C)C(O)=NC2=S)cc(OC)c1OC 2314161 JWANLFSAVPNLKA-JYRVWZFOSA-N 401.444 2.723 10 40 HFCB CN1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22734721 WFRHTTPWMPCREA-DEOSSOPVSA-N 422.573 2.553 10 40 HFCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 409217460 VOHWDHQCZXYVCO-ZCWPUFOUSA-N 417.531 2.864 10 40 HFCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1O 5879698 QDIILQRBOUSZOZ-WZUFQYTHSA-N 407.741 2.563 10 40 HFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1C 6184533 AAZAJKAXRNLMBG-ZHZULCJRSA-N 421.522 2.971 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC 9332797 NZFHTYHKCVCZCY-OVCLIPMQSA-N 414.389 2.514 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 9423875 KZMILANJCUWEQX-CKXDQPNJSA-N 402.453 2.754 10 40 HFCB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 16838323 HHCPVDLKCJYMQO-QHCPKHFHSA-N 409.530 2.881 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC 408801685 VFICJVKQBGADBA-OQLLNIDSSA-N 411.370 2.669 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC(C)C 408954013 QWCHAKSCMBBDTG-OVCLIPMQSA-N 424.409 2.878 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1C 409134272 NYVMLNYNRZDAQP-SFQUDFHCSA-N 423.444 2.946 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)N(c3ccccc3)C(C)C)nnc2n1 624266 PZNSJTDFTYHCIB-UHFFFAOYSA-N 414.539 2.917 10 40 HFCB CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc2C[C@H]1C 55679202 PWVDESVVHPHQQC-OAHLLOKOSA-N 415.515 2.622 10 40 HFCB CCNC(=O)COc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OC 96288907 KXADNVWABYENOF-GZTJUZNOSA-N 403.504 2.713 10 40 HFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 101124813 CYDCGBOXBZNHFU-LDADJPATSA-N 402.451 2.795 10 40 HFCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 409242799 VUZYXRHOFLXINE-ACCUITESSA-N 417.874 2.601 10 40 HFCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1OC 1245921 BTDZCZLVKQNRTP-XNTDXEJSSA-N 416.480 2.956 10 40 HFCB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 2369575 KIWGHUJUTJFDAD-OWBHPGMISA-N 418.544 2.754 10 40 HFCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4060238 ZTIBWFMJEMTBIF-VSGQEEOTSA-N 400.456 2.749 10 40 HFCB CCOCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 4999632 XSUHQAGPNDWVHC-AQTBWJFISA-N 416.503 2.852 10 40 HFCB O=C(NN1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S)c1cccc(O)c1 13689662 UZPLOLKARNSNQD-CXUHLZMHSA-N 408.464 2.882 10 40 HFCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408536706 XLZDRSFQMBRRMK-PTNGSMBKSA-N 420.429 2.812 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 409107608 SMMQIUAVSLMPLK-LFIBNONCSA-N 412.467 2.934 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)O)C(=O)NC1=S 409191377 GEAYXOQFTWHUBJ-JMRXEAOASA-N 410.451 2.678 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1F 13008652 YFTAOWDRLAOWQK-OAQYLSRUSA-N 412.509 2.874 10 40 HFCB COc1ccc(N(CN2C(=O)CCC2=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 1590579 LJKHWCPOQNJLJP-UHFFFAOYSA-N 422.890 2.693 10 40 HFCB C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 4558323 VCKVUEVUZHRPNV-AZXNSQLWSA-N 416.433 2.839 10 40 HFCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9315358 RLNVAOFYTOZCGV-QFIPXVFZSA-N 409.442 2.726 10 40 HFCB COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 408548643 KHBPKJHZQCSJET-UKTHLTGXSA-N 400.431 2.983 10 40 HFCB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409045476 YSKVZCXXCBCRSC-RIYZIHGNSA-N 418.764 2.609 10 40 HFCB O=c1ccc2c(-c3ccccc3S(=O)(=O)O)c3ccc(O)c(O)c3oc-2c1O 3861600 JTZKNOUMMWIARI-UHFFFAOYSA-N 400.364 2.928 10 40 HFCB O=C(O)C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 8972195 JPEDSAOXLAUJAO-PTNGSMBKSA-N 422.503 2.740 10 40 HFCB COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)c4ccccc4N=C3O)CC2)cc1 44900614 JVMGGORLFRSNPJ-FQEVSTJZSA-N 422.485 2.524 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 408984959 USWLWWZEBLDVKY-WQRHYEAKSA-N 417.421 2.955 10 40 HFCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1OC 409130993 OTQWFJFIBCNYTN-GZTJUZNOSA-N 410.426 2.852 10 40 HFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 685064 KWGCEZAYOYZTIZ-UHFFFAOYSA-N 420.849 2.981 10 40 HFCB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4164010 WZOQNISXDPKCLN-HXUWFJFHSA-N 416.543 2.656 10 40 HFCB CSCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 8870076 CJEJLAAEPWUEIF-FYQHACEVSA-N 424.569 2.519 10 40 HFCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 20502830 RAMFILARRVNURA-LTGZKZEYSA-N 424.545 2.926 10 40 HFCB CN([C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1)S(C)(=O)=O 223941809 IXMWRQVVOIRSTP-HXUWFJFHSA-N 401.532 2.536 10 40 HFCB COCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S 2251329 SYKYELYZGVANHB-UVTDQMKNSA-N 418.544 2.610 10 40 HFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OCC 408938664 QXDMONCFRNONLN-LFIBNONCSA-N 424.409 2.849 10 40 HFCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409392933 OJCSDSVPWAQPTK-GXDHUFHOSA-N 416.231 2.909 10 40 HFCB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CC(C)C)C(=O)O)C2=O)cc1 5374926 VLZULECTERFDIX-UWZYDCLUSA-N 406.529 2.812 10 40 HFCB C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 19831478 VCKVUEVUZHRPNV-CMCWBKRRSA-N 416.433 2.839 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CNCCc3ccc(OC)cc3)c2oc1=O 20759354 IZWGGPGXFSFXFB-UHFFFAOYSA-N 411.454 2.863 10 40 HFCB biogenic O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1cccs1 409326327 AHBBQJHEJZRLTJ-KPKJPENVSA-N 407.454 2.908 10 40 HFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c(Br)c1 4724905 ZXHDULZIWRUYHW-YFHOEESVSA-N 405.179 2.960 10 40 HFCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963973 ZFVZZBOBWBNEBV-FQEVSTJZSA-N 414.937 2.998 10 40 HFCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(N)=O 13547609 SBBWPXZTUANFKD-YVLHZVERSA-N 414.508 2.961 10 40 HFCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 408692945 YYOYNWUELHBSAZ-KPKJPENVSA-N 423.263 2.871 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)cc1 1248718 NZQINWSIZKNAIO-SXGWCWSVSA-N 416.480 2.956 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(C)=O 4813702 MCBGBSCNYZBUIQ-GXDHUFHOSA-N 412.373 2.816 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1ccccc1O 54361122 LOKRWZMHWLUHCH-SXGWCWSVSA-N 408.464 2.882 10 40 HFCB S=C(NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1 1100160 PAUCHDZWSYLIFL-UHFFFAOYSA-N 422.518 2.765 10 40 HFCB Cc1cccc(N2NC(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1 4815212 UUUBRUWAILMCTE-WOJGMQOQSA-N 413.389 2.600 10 40 HFCB COc1ccc(N2CCN(C(=O)Cn3nc(C)c(Br)c3C)CC2)cc1 27981754 JIYFXZIWORIKAT-UHFFFAOYSA-N 407.312 2.620 10 40 HFCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 96193256 ABMNOQCMOYUDQC-ZSOIEALJSA-N 420.834 2.702 10 40 HFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccccc1 4674739 XRPHWIQQRLSBCL-GZTJUZNOSA-N 401.378 2.872 10 40 HFCB CNC(=O)COc1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1OC 97152210 FMNMLQQIQVTRSE-GZTJUZNOSA-N 403.504 2.713 10 40 HFCB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225298925 IBQLQWQKZPAOCX-UHFFFAOYSA-N 403.530 2.922 10 40 HFCB CN(C)C(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408535565 YWFZFKVOBHEUHH-SDNWHVSQSA-N 412.833 2.621 10 40 HFCB CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(N)=O)c12 409127774 RMNIVEBZARQEAP-DHDCSXOGSA-N 403.529 2.537 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1C 409189247 NUYFRRVMWZAQFR-SWEABUAFSA-N 424.478 2.987 10 40 HFCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1 409392103 LAUKSSSWUPLELC-SFQUDFHCSA-N 417.377 2.795 10 40 HFCB O=C(NN1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S)c1ccccc1O 13689793 LOKRWZMHWLUHCH-CXUHLZMHSA-N 408.464 2.882 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(C)=O 408538208 ZEPGTMMCIAXFLZ-LJQOBJABSA-N 412.442 2.661 10 40 HFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(C)c1 409095110 HFQKITUOLRMWFX-MHWRWJLKSA-N 412.467 2.852 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)O 10434578 KBSAJKJWCIAYFW-NTEUORMPSA-N 418.452 2.913 10 40 HFCB COC(=O)c1c(NC(=O)C[C@@H]2SC(N)=NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 11859529 NBJBGYVZDDHBBX-CABZTGNLSA-N 423.560 2.971 10 40 HFCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)cc1 19891147 NUXNRDBZVAEAIN-UHFFFAOYSA-N 421.505 2.537 10 40 HFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NC3CCCC3)C2=O)cc1OC 27530628 HIKCSIOZGJCIOR-MHWRWJLKSA-N 406.529 2.964 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(OC)c3)C2=O)cc1 408885295 YZOLLRUIQGGFEI-CXUHLZMHSA-N 414.801 2.802 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)cc3Cl)CC2)cc1 3555563 HANYFCHIWFDGEE-UHFFFAOYSA-N 406.841 2.993 10 40 HFCB Cc1cccc(C(=O)O)c1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 9028818 OEECYTHEDGVRHT-CQSZACIVSA-N 408.410 2.721 10 40 HFCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(OC)c1OC 13774792 QHTIKMZZHKZZAD-PTNGSMBKSA-N 412.467 2.852 10 40 HFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17130557 FOXZIOVVJXXVSZ-ZROIWOOFSA-N 400.326 2.865 10 40 HFCB COCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)N(c2ccccc2)C1=O 4545334 ZHNKXMJGGDIEPM-AQTBWJFISA-N 410.426 2.729 10 40 HFCB COc1ccc(N(C)CCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225798340 AEWVOYLVVWZRRV-UHFFFAOYSA-N 422.576 2.514 10 40 HFCB COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C 409105639 JZBFGTKWHMPONY-XDHOZWIPSA-N 410.474 2.591 10 40 HFCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)ccc21 409188925 KQGRQPZHWIKBPB-LVLBFHFTSA-N 403.394 2.953 10 40 HFCB CS(=O)(=O)NC1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 12942972 FNGVTHWZQJJJJJ-UHFFFAOYSA-N 413.337 2.822 10 40 HFCB COc1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1 67335815 AMXNNZCUPNKDOO-UHFFFAOYSA-N 423.498 2.761 10 40 HFCB COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccco3)CC2)cc1 72342403 DHCJMAXCHKJEFJ-UHFFFAOYSA-N 413.518 2.732 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O 6180726 BUFUKMNSDAGLPW-MLPAPPSSSA-N 402.790 2.729 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 8964107 XEWQPEAQCSDQKQ-OAQYLSRUSA-N 410.493 2.710 10 40 HFCB COc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1 57811730 MBUKPMGCJQMNDS-DEOSSOPVSA-N 409.530 2.850 10 40 HFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 2250545 QYEYNONOEONNJO-LFIBNONCSA-N 424.409 2.547 10 40 HFCB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3O)n2)cc1 72321994 MWSKERMDWLHSJS-IBGZPJMESA-N 413.499 2.759 10 40 HFCB biogenic,in-vitro CC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 12938161 RFPKXJZSZXFXGD-UHFFFAOYSA-N 402.881 2.715 10 40 HFCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734703 USNGRDWXFXKZPQ-XMMPIXPASA-N 422.573 2.796 10 40 HFCB CN1CCN([C@@H](CNC(=O)c2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22734758 BESBOFRKRKVHPY-QHCPKHFHSA-N 410.537 2.927 10 40 HFCB COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1N1CCCC1=O 65440228 HJHQUSCFBNQYQN-UHFFFAOYSA-N 424.501 2.980 10 40 HFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(OC)c1O 96505311 ZMLVPRYVTWESFL-XNTDXEJSSA-N 416.480 2.956 10 40 HFCB O=C1N=C(O)/C(=C/c2ccccc2N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2 59104595 WLSJFVLMSXWEOS-WJDWOHSUSA-N 421.409 2.759 10 40 HFCB COc1cccc(OCCOc2ccccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 4662556 RPRIJDUYVZFEDO-UHFFFAOYSA-N 410.426 2.587 10 40 HFCB CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 6232515 LMGUPZRPNJYARL-HFHGARRFSA-N 419.909 2.974 10 40 HFCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(C)=O)N2c4ccc(OC)cc4C=C[C@H]32)cc1 101488156 BMVXYLWZOGBKRZ-GXRSIYKFSA-N 418.449 2.683 10 40 HFCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 4999653 IUCGFQPQSLRQSM-FDIDITGRSA-N 414.487 2.605 10 40 HFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1c(C)cccc1C 9144623 OXCMEZSQPOMXMP-UHFFFAOYSA-N 424.453 2.909 10 40 HFCB CC(=O)Nc1ccc(N/C=C2/C(=O)N=C(S)N(Cc3ccc(F)cc3)C2=O)cc1 18116019 FWWMMGSEOYUTGP-YVLHZVERSA-N 412.446 2.935 10 40 HFCB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 34926547 UMDCJAPUMACXCB-UHFFFAOYSA-N 411.502 2.552 10 40 HFCB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)NC(=O)c1ccccc1 7981557 VDFSARLPDUYGFV-UHFFFAOYSA-N 415.401 2.866 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CCOCC3)ccc21 22733258 BMGVKPJJZHRCCD-HXUWFJFHSA-N 401.457 2.760 10 40 HFCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCCc1ccccc1 5900116 IELQDYUBZLEPRB-UHFFFAOYSA-N 413.429 2.978 10 40 HFCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)O 13897746 OVOFRFALMAJGSL-YHYXMXQVSA-N 418.290 2.752 10 40 HFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N(C)C)ccc21 13008676 UIDKPROYHUNCCR-NRFANRHFSA-N 400.567 2.627 10 40 HFCB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C)c1-c1cccs1 2648424 PRNTWXPRCVCXOC-UHFFFAOYSA-N 421.525 2.788 10 40 HFCB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N2CCOCC2)cc1 5945837 GAAVUCMIAJHFOQ-OAQYLSRUSA-N 422.485 2.798 10 40 HFCB Cc1cc2nc([C@H]3CCCN(Cc4ccc(N5CCOCC5)cc4)C3)cc(N)n2n1 12143954 BMTGIKRDRCITRN-IBGZPJMESA-N 406.534 2.836 10 40 HFCB O=C(NN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S)c1ccc(O)cc1 13732028 RBIWBECCGWCBGY-GDNBJRDFSA-N 408.464 2.882 10 40 HFCB O=S(=O)(Nc1ncccn1)c1ccc(/N=N/Sc2ncnc3nc[nH]c23)cc1 17429690 OAJOBYKZDAPCKF-ZNTNEXAZSA-N 413.448 2.735 10 40 HFCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc(F)c1 408878675 BHGOBHLMSZCVNI-UHFFFAOYSA-N 400.431 2.718 10 40 HFCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(N)=O 9188445 IBXVGYRZFSESFX-NVNXTCNLSA-N 404.469 2.554 10 40 HFCB CCOC(=O)c1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)ccc32)cc1 64979242 OJZLZZHEUMJYCN-UHFFFAOYSA-N 405.403 2.942 10 40 HFCB COCCN1C(=O)/C(=C/c2cn(CC(=O)NC3CC3)c3ccccc23)SC1=S 409126906 OQHUNPMFEWRECV-YVLHZVERSA-N 415.540 2.768 10 40 HFCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1NS(=O)(=O)c1ccccc1 6072755 LPCULTSNOQVFPX-UVTDQMKNSA-N 416.509 2.658 10 40 HFCB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 1839985 OOTQBUQCPFRHKL-QPEQYQDCSA-N 420.493 2.992 10 40 HFCB CN1C(=O)/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)C(O)=NC1=S 33387828 ZALNOQFOLLFBQG-SXGWCWSVSA-N 422.466 2.648 10 40 HFCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1CCS(=O)(=O)O 2823908 FSQQZRMAONZUIA-YFHOEESVSA-N 408.320 2.538 10 40 HFCB COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S 6288658 QZSPAQWEDZCJRZ-CPNJWEJPSA-N 419.506 2.963 10 40 HFCB CCn1cc([C@H]2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 227173442 AICYBFFIASAEEB-HXUWFJFHSA-N 411.487 2.612 10 40 HFCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 409206416 JHEYSNWASCPJDW-GUBFPNNNSA-N 407.470 2.946 10 40 HFCB CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(NN=C(c3ccc(C)cc3)S2)C1=O 670421196 GPSOXLDRXTULMN-OAQYLSRUSA-N 411.483 2.866 10 40 HFCB COc1cc(OC)c(/C=C2/SC(N3CCOCC3)=NC2=O)cc1Br 1415644 UXNCAHMBKISMEU-RIYZIHGNSA-N 413.293 2.769 10 40 HFCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 16038505 TYNWKMFHRHDYTG-KSZLIROESA-N 420.852 2.742 10 40 HFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=N)N21 20205712 FPLZEVPGZLIKLT-GHZHVEGCSA-N 418.431 2.707 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 100560028 DMBNRBIUHRYQFY-LSCADSNKSA-N 416.437 2.852 10 40 HFCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 4696480 LWZVABANFGIXMB-AVIKPIRVSA-N 417.458 2.564 10 40 HFCB COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1Cl 59139702 WVTPHDWQNNRUML-UHFFFAOYSA-N 418.858 2.985 10 40 HFCB Cc1cc(C(=O)CN2C[C@H](C)C[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6587075 DXXAAVKRMCCEIV-HUUCEWRRSA-N 403.548 2.902 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 8660981 WAVCZCZIHBICOQ-KMTKGMGQSA-N 418.478 2.708 10 40 HFCB COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409227633 RBSYOGMFMIABOI-GZTJUZNOSA-N 417.377 2.795 10 40 HFCB CCS(=O)(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 4061792 SBVZRXRXBYHMNK-OXJNMPFZSA-N 423.604 2.948 10 40 HFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 13799726 YHSGQKJFCYYNBP-MFOYZWKCSA-N 421.384 2.620 10 40 HFCB COc1ccc(N2CCN(CN3C(=O)NC4(CCCCCCC4)C3=O)CC2)cc1 23652707 SBXILYLZEXDZNO-UHFFFAOYSA-N 400.523 2.810 10 40 HFCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1 35648318 GEXBFRXDXDNBBS-ZROIWOOFSA-N 400.437 2.637 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1O 4690351 IGVGBJUYIOTSTR-RIYZIHGNSA-N 412.467 2.858 10 40 HFCB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@H]1NC(=O)c1ccccc1 5669941 JHQIGYJGIOOGAW-TUHKJITRSA-N 410.430 2.949 10 40 HFCB CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(N(C)C)cc1 6304739 KDDNQSZZWWJVHA-HXUWFJFHSA-N 400.504 2.822 10 40 HFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1O 14010805 XMHNOIPFJHKMDQ-JYRVWZFOSA-N 417.215 2.830 10 40 HFCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 17112762 ZAMIMLJGVUASHV-SECBINFHSA-N 421.544 2.512 10 40 HFCB CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733757 NFCJSLCLVFMXNH-DEOSSOPVSA-N 422.573 2.796 10 40 HFCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)s3)CC2)cc1 56997536 NPTICDWELQPSAX-UHFFFAOYSA-N 415.968 2.511 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2n1 4570522 SVMJTPZGCRILJU-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB COCCN1C(=O)[C@@H](Cc2cc3c(cc2Br)OCO3)SC1=S 8104689 GISZKIYFWFXNPN-GFCCVEGCSA-N 404.307 2.596 10 40 HFCB COc1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)c([N+](=O)[O-])cc1OC 8751821 LDZLGHAIKHCSOD-YRNVUSSQSA-N 423.381 2.964 10 40 HFCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCCn1ccnc1 9187774 JNNHAOVBEUKRJX-GDNBJRDFSA-N 420.947 2.944 10 40 HFCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 23398310 GBEIYONGZNYCTR-UHFFFAOYSA-N 410.395 2.758 10 40 HFCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)CC2)cc1 61342487 HOAOVUMWRUTCHB-UHFFFAOYSA-N 423.922 2.683 10 40 HFCB CCN1CCN(c2ccccc2NS(=O)(=O)c2cccc3nsnc23)CC1 19103245 OEMQTKUCEQDNFP-UHFFFAOYSA-N 403.533 2.634 10 40 HFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107890043 XZZQVXUQFPFPHO-GDNBJRDFSA-N 400.818 2.743 10 40 HFCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCc2ccccc2C1 409355462 COJKNXONUGZXKL-VCHYOVAHSA-N 410.451 2.719 10 40 HFCB CCOC(=O)Cn1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745729 FKFYXSJFYVYYLQ-UYRXBGFRSA-N 403.438 2.974 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 408769164 PHIQQBYWMMDYBL-MHWRWJLKSA-N 424.409 2.524 10 40 HFCB CCc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 9311462 MPJDNUYJFTXQPH-FDIDITGRSA-N 424.478 2.932 10 40 HFCB CN1C(=O)C(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=S 4724054 IBCDQEAXTVQUKP-UHFFFAOYSA-N 411.439 2.773 10 40 HFCB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964186 OQGFHOVQCDNOCI-JOCHJYFZSA-N 406.530 2.879 10 40 HFCB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 15360940 CTMDUDGIDJTXHX-UHFFFAOYSA-N 405.476 2.561 10 40 HFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 18150404 IDJAPMHKAPFVEA-IBGZPJMESA-N 421.497 2.800 10 40 HFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 59959590 CKDWZQOYZOEEDY-UYRXBGFRSA-N 412.486 2.817 10 40 HFCB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccccc1 102269871 QENTUAOALFXVJG-KDURUIRLSA-N 422.481 2.995 10 40 HFCB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N\C(N)=S)cc1)/N=N/C(N)=S 104292208 FLTJTMPAKBGLRM-HOZVARIWSA-N 422.540 2.512 10 40 HFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O 408535450 STAITUWULCYUSL-CSKARUKUSA-N 402.750 2.533 10 40 HFCB C[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9429372 GPOVJBMESUOROS-IEMQHYRPSA-N 402.497 2.934 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@@H]1/N=N\c1ccc(C(=O)O)cc1 104315433 ZIJIGENUTDZKSV-QNBCRBJRSA-N 421.413 2.919 10 40 HFCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccc1Br 408998113 IAOYULPYNCMZKI-UHFFFAOYSA-N 404.289 2.771 10 40 HFCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2373654 CWNFOYBAHBGDQX-LAPSENCUSA-N 418.359 2.837 10 40 HFCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC 6735615 BSJSPBMKFJFYGL-NTEUORMPSA-N 403.232 2.928 10 40 HFCB CCCCCCN1C(=O)NC(=O)/C(=C/c2[nH]c3ccccc3c2CCNC(C)=O)C1=O 9034137 XNHULWZFRBNBAV-JXAWBTAJSA-N 424.501 2.889 10 40 HFCB biogenic CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 84755244 NEKAJWSYOZBPNV-UHFFFAOYSA-N 423.560 2.510 10 40 HFCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)SC2=S)cc1 409202276 QMXCAFQSLGAPIH-MHWRWJLKSA-N 400.481 2.965 10 40 HFCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 981887 ZMUKRSJITNMBHD-YBEGLDIGSA-N 405.501 2.798 10 40 HFCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 2965890 MPWUEAVKZCWXGW-HXUWFJFHSA-N 416.479 2.783 10 40 HFCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964042 VYEIOPLINLRSGT-JOCHJYFZSA-N 406.530 2.879 10 40 HFCB COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)c2c1 8991926 IGRNJDQSJVGFTQ-KKMLBMJLSA-N 420.468 2.696 10 40 HFCB Cc1cc(N2CCOCC2)ccc1CN1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 19570693 GIBLDWVCDBGYDV-UHFFFAOYSA-N 417.513 2.535 10 40 HFCB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1 62825005 IYYNZPXXJZTZMD-YPOUMIDOSA-N 412.536 2.608 10 40 HFCB CCOC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1217713 CSXPKESEKCPDMM-UVTDQMKNSA-N 411.501 2.867 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1O 2773566 VEQINWYEUXXIBF-NTEUORMPSA-N 400.818 2.759 10 40 HFCB O=C(NN1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S)c1ccc(O)cc1 13720066 NPKOOPIBALJDSU-CXUHLZMHSA-N 408.464 2.882 10 40 HFCB Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 19718573 QBMDQHCRESZJGT-MRXNPFEDSA-N 422.533 2.772 10 40 HFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC 13041645 WSGJCIBYMHLTOI-SNVBAGLBSA-N 410.517 2.790 10 40 HFCB CC(C)NC(=O)CN1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 22804231 JUZDBEGGCDUTQV-UHFFFAOYSA-N 420.351 2.950 10 40 HFCB O=C1CSC(=S)N1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 3203978 XIERHYHZBJRMTK-OPQOLIRYSA-N 406.488 2.654 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)c1OC 13714294 BTDZCZLVKQNRTP-GDNBJRDFSA-N 416.480 2.956 10 40 HFCB O=S(=O)(Nc1ccc(I)cc1)c1cccc2nonc12 14254450 CTRHJENKJWWXSS-UHFFFAOYSA-N 401.185 2.628 10 40 HFCB CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3C)C2=O)cc1 103089920 VFLFHWQBHXOSCA-JXAWBTAJSA-N 424.526 2.969 10 40 HFCB CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](CNC(=O)[C@@H]4CCCO4)CC3)ccc21 257229863 FZTRSMIIYBOJRX-JLMWRMLUSA-N 413.562 2.787 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC 408818256 VAGDBGRFLGNVJB-LFIBNONCSA-N 424.409 2.547 10 40 HFCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408948401 FZWLPZWDUFYDMD-NTUHNPAUSA-N 400.774 2.744 10 40 HFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 409000382 SVLGYMQEEZJEJH-QPEQYQDCSA-N 402.794 2.747 10 40 HFCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 409392138 LJPAUPOUKKUVNA-XMHGGMMESA-N 401.426 2.605 10 40 HFCB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 89579860 UUUSGIBJVAFESQ-UHFFFAOYSA-N 412.467 2.781 10 40 HFCB CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](/C=C\N=N/c1ccccc1)OC(C)=O 104389819 FEDNZHOZZFZXGV-IVSZGVAPSA-N 420.418 2.642 10 40 HFCB CN1CCN([C@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)CCN3C)CC1 22733625 AASOZAFVMXEOOI-OAQYLSRUSA-N 414.500 2.676 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCn1ccnc1 33538604 RRKXECOPQFIOJJ-KAMYIIQDSA-N 406.558 2.742 10 40 HFCB COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 8301398 QFXTZFICVPLCAK-UHFFFAOYSA-N 402.410 2.606 10 40 HFCB CN(C)c1ccc(C=C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1 36396732 KMBJGJLRBXHKCR-UHFFFAOYSA-N 411.345 2.920 10 40 HFCB O=C(C1=CN(c2ccc3c(c2)CCC3)c2ccccc2S1(=O)=O)N1CCOCC1 48988528 VVRGMXMUTAXDEK-UHFFFAOYSA-N 410.495 2.801 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC(C)=O 408778602 IGOGLRIXGBBNEK-LICLKQGHSA-N 408.410 2.904 10 40 HFCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 8870223 VYARBZYFZLOWCV-NVNXTCNLSA-N 413.436 2.954 10 40 HFCB CN1CCN([C@H](CNC(=O)NCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 35597186 NSSGCRHUKNTJMR-XMMPIXPASA-N 421.589 2.857 10 40 HFCB COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1[N+](=O)[O-] 408897990 KEJZSHNCRTVAIF-UKTHLTGXSA-N 401.762 2.923 10 40 HFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(OC)c1 408912981 JEFJOWFZYPOQCZ-XNTDXEJSSA-N 400.362 2.518 10 40 HFCB CCN1CCN(Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc2CC1=O 643568809 GMSHMBXIWOYHOM-UHFFFAOYSA-N 423.557 2.809 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 12273949 ZFRTXQDLIHHPAF-KBUNYLKBSA-N 420.262 2.561 10 40 HFCB O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 16906470 SMFDMGWTXYDROC-XNTDXEJSSA-N 414.464 2.696 10 40 HFCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1OC 19908707 OYYIBFSKJVCFSP-IBGZPJMESA-N 403.431 2.568 10 40 HFCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733614 WFUVZMQBWCAEBW-QHCPKHFHSA-N 422.573 2.796 10 40 HFCB C[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2cccs2)SC1=S 33539738 JXFKLBIEOPUJLI-XTCQQWIJSA-N 406.558 2.741 10 40 HFCB COc1ccc(N2CCN([C@H](C(=O)O)c3cn(C)c4cc(C(=O)O)ccc34)CC2)cc1 36360053 LYZNNNPGUCUSHT-NRFANRHFSA-N 423.469 2.833 10 40 HFCB CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(N4CCOCC4)c3)cc2C[C@@H]1C 55679204 PWVDESVVHPHQQC-HNNXBMFYSA-N 415.515 2.622 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2=O)cc1 100353480 LFHCADNUECKUHZ-IFEHCOMVSA-N 402.497 2.987 10 40 HFCB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc4c(c3)OCCO4)c2oc1=O 8764576 TXJVRKJJOZTYRL-UHFFFAOYSA-N 411.410 2.906 10 40 HFCB biogenic COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 409004696 YCXHPKIMOKERCX-MOSHPQCFSA-N 420.465 2.684 10 40 HFCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 12411705 JHCNUZIPVVBKRA-SDNWHVSQSA-N 400.547 2.622 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1O 409139758 ONXTZNVTYIMYKT-RIYZIHGNSA-N 412.467 2.858 10 40 HFCB O=C(COC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CC1 33410299 BGGFVEHFGITWGY-QSJINSDNSA-N 416.524 2.656 10 40 HFCB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCCN1CCOCC1 256055392 FHXXLLCYZRHLOO-AQTBWJFISA-N 402.541 2.929 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1 408801191 SBGZVQCLKOXXPK-UHFFFAOYSA-N 401.762 2.577 10 40 HFCB CCOC(=O)c1csc(N2N=C(c3ccccc3O)C[C@@]2(O)C(F)(F)F)n1 6595282 MBSJXOLOQJGGMB-OAHLLOKOSA-N 401.366 2.891 10 40 HFCB C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6660725 DTTWFEBZPLEYEG-XDUBLRSXSA-N 418.519 2.818 10 40 HFCB CCc1c(C)nc([C@H]2CCCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)[nH]c1=O 19521547 YJFQJHDPLDIFMG-SFHVURJKSA-N 414.525 2.996 10 40 HFCB CCN1C(=O)C(=Cc2ccc(Br)c([N+](=O)[O-])c2)C(=O)N(CC)C1=S 409202225 QKXVKZCAUXXKHZ-UHFFFAOYSA-N 412.265 2.736 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 4812250 AUCGSNXLMGGLTP-RMWKRFJVSA-N 419.485 2.843 10 40 HFCB COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408528280 HGZFHKDWHNKQNL-GXDHUFHOSA-N 410.386 2.799 10 40 HFCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1Br 408894110 JCOKNADRYZJKDN-UHFFFAOYSA-N 417.284 2.942 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)O)C2=O)cc1Cl 408992475 SVYRPEVBWJMDAA-ZSOIEALJSA-N 414.801 2.778 10 40 HFCB COc1ccc(N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 2654518 ZYSDJGUPTAHTGP-UHFFFAOYSA-N 408.454 2.838 10 40 HFCB biogenic COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc1 8567020 CGLBAXDVVIAVLN-NVNXTCNLSA-N 412.398 2.920 10 40 HFCB C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13675564 NBGAKAPNWDHYBZ-INIZCTEOSA-N 419.522 2.897 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2700448 XMCMXKHHENQFKE-ZROIWOOFSA-N 418.452 2.913 10 40 HFCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2S(C)(=O)=O)cc1 4732564 JIVLPINAZOHZJU-UHFFFAOYSA-N 400.508 2.606 10 40 HFCB Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)no1 84281451 HHISCKVZKRJOFP-NVXWUHKLSA-N 421.544 2.852 10 40 HFCB CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 100049629 ISIJLUXQMTWMLC-MJWGMMHASA-N 402.388 2.507 10 40 HFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1O 408850925 GKRVFSPOQDGICR-UXBLZVDNSA-N 421.793 2.924 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(OC(F)F)c3)CC2)cc1 4504007 WOVQJMHWKWPPEW-UHFFFAOYSA-N 420.412 2.802 10 40 HFCB CCN(CCO)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 9461843 VFLFHWQBHXOSCA-NBVRZTHBSA-N 424.526 2.557 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2n1 10165936 ZIJZSJUVWIYTCY-UHFFFAOYSA-N 424.893 2.906 10 40 HFCB COc1ccc(N2CCC(O)(CN3CCCC[C@@H]4CN(C(C)=O)CC[C@@H]43)CC2)cc1 585282826 BAWPGIOPBZGJDD-OFNKIYASSA-N 415.578 2.749 10 40 HFCB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccc(OC)cc2)CC1 57670332 ZIVMYGDFJQXQHK-VQTJNVASSA-N 400.527 2.524 10 40 HFCB CCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccco3)cc2)C(C(=O)OC)=C1C 408769463 VNGAMAPUZNHVSR-UNOMPAQXSA-N 424.453 2.667 10 40 HFCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)cc1 661111 RXDGXQPIUIANEV-GZTJUZNOSA-N 411.483 2.527 10 40 HFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14414303 RYUBFLUOTVAESD-BOPFTXTBSA-N 424.453 2.980 10 40 HFCB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O 38800069 QABVKBIVZDVNCM-UHFFFAOYSA-N 418.181 2.772 10 40 HFCB COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cccc(OC)c4)n3)CC2)cc1 54146938 CGQONZMIIZZVAO-UHFFFAOYSA-N 421.505 2.537 10 40 HFCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2 102434186 UALGUADFWMKDIV-ROUUACIJSA-N 420.465 2.999 10 40 HFCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c1C 408591100 IODCPRBXXGBZOZ-VGOFMYFVSA-N 403.822 2.733 10 40 HFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 408982119 GACSCUITSIIBJL-DHDCSXOGSA-N 411.370 2.538 10 40 HFCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 658666 XYBCQSFUCOSGGF-UXBLZVDNSA-N 413.293 2.503 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2n1 4279663 HKULDVWKSYOCNZ-UHFFFAOYSA-N 400.512 2.731 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCn1ccnc1 9187772 CXQAUZLGRSNCKD-SSZFMOIBSA-N 400.529 2.681 10 40 HFCB COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 9339721 VFSKBBQDVLNLIG-JLHYYAGUSA-N 423.425 2.925 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 102945134 ZIJIGENUTDZKSV-SMIQVMJNSA-N 421.413 2.919 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc2c1OCO2 408966815 QRHIHOYXFWKKKK-AWNIVKPZSA-N 400.774 2.744 10 40 HFCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1O 43079810 GUNYTRIWYRPWTF-YHYXMXQVSA-N 418.290 2.839 10 40 HFCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C[C@@H]4CCCO4)c3C)C2=O)c1 409193903 HJLPYIGLDIEWMG-ATASCALFSA-N 423.469 2.959 10 40 HFCB CCn1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)n1 257260388 LCQGTJZSQQJNKB-MRXNPFEDSA-N 406.490 2.923 10 40 HFCB C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 9303106 BAUCSPXLDSZNCI-YAFRSCOQSA-N 418.496 2.639 10 40 HFCB COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccco5)ccc4n3)CC2)cc1 39404030 OFYQNHHRNZKITG-UHFFFAOYSA-N 417.469 2.768 10 40 HFCB Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408960283 KQWNQCDCEMXEOP-WOJGMQOQSA-N 419.437 2.990 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 409016721 VMPYWUFAKHLKOP-BVTUPMQUSA-N 424.409 2.522 10 40 HFCB Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4313001 HGLFRFOGEYXAQA-HXUWFJFHSA-N 416.543 2.656 10 40 HFCB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C1=O)OCO2 4724069 CKCGGZVTBIZRQR-CHHVJCJISA-N 410.451 2.872 10 40 HFCB Cc1ccc(O)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c1 12143396 YAMKGFIJZCODHC-QFIPXVFZSA-N 410.493 2.977 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 408808010 MAHSICMNCDWWMU-LDADJPATSA-N 408.410 2.927 10 40 HFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCCC3)C2=O)cc1OC 4263407 WJEAWTJAIXXGRD-WJDWOHSUSA-N 406.529 2.918 10 40 HFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 5977584 JOPUPQJDOXGQDL-WQRHYEAKSA-N 400.475 2.671 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 10906411 WXQDXRKZUDBIRZ-UHFFFAOYSA-N 424.469 2.792 10 40 HFCB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1)C(=O)O 59248956 FHUOOGQPCVJXJG-IWQAVIMZSA-N 414.414 2.509 10 40 HFCB O=C(CN1C(=O)CSC1=S)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219329020 PGXHVJCCAOIEBB-CYBMUJFWSA-N 402.513 2.832 10 40 HFCB COc1cc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc(OC)c1O 59475172 ICYLMWQHYVXUQC-NTUHNPAUSA-N 419.231 2.633 10 40 HFCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1cccc(F)c1 408915073 ULIUAFSTZLJGBO-OQLLNIDSSA-N 400.431 2.670 10 40 HFCB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 13675519 HVXONFTVPZZGTQ-UHFFFAOYSA-N 415.559 2.986 10 40 HFCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 17089893 BRLYVUCCKVILRX-UHFFFAOYSA-N 414.487 2.749 10 40 HFCB O=C(NN1C(=O)/C(=C/c2ccccc2O)SC1=S)c1cc(=O)[nH]c2ccccc12 28628996 DMXBPUACPGDWNS-SXGWCWSVSA-N 423.475 2.780 10 40 HFCB Cc1nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1-c1ccc(F)cc1 40150208 FLRZKHGQMBQKJO-UHFFFAOYSA-N 423.492 2.854 10 40 HFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1N1CCCC1=O 223889591 SMSYZLUBRIVRTC-UHFFFAOYSA-N 417.531 2.709 10 40 HFCB Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 13483276 FODVGWDIFTXTIE-RQZCQDPDSA-N 418.409 2.736 10 40 HFCB C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S 33585269 RPKPCZUDZKOHDP-PFMRQGHBSA-N 418.452 2.912 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1Cl 409072585 CSEHCXCJHXSXBP-NVNXTCNLSA-N 414.801 2.778 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1 409188954 LJFSJCGWYLFGEI-VLURKWGBSA-N 424.478 2.932 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)c(C)c1 409189137 DFQHLGZAUMCUGO-DSQDWWTGSA-N 424.478 2.987 10 40 HFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)ccc1O 1822999 MBRBCOYLYGSXNW-OVCLIPMQSA-N 402.453 2.653 10 40 HFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35648971 IXPGFCABLFXJAC-OTXQMUPVSA-N 403.840 2.998 10 40 HFCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1O 408897840 UHOZZWDZKHRJHE-FLIBITNWSA-N 405.179 2.960 10 40 HFCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(C)(=O)=O)CC2)cc1 4061785 QQPYIFKXZFUBPW-KXBFYZLASA-N 409.577 2.558 10 40 HFCB CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733436 QPYZUYSFOYRANU-HSZRJFAPSA-N 409.530 2.881 10 40 HFCB COc1ccc(N2CCN([C@H](C(=O)O)c3c(C(=O)O)n(C)c4ccccc34)CC2)cc1 36354727 MBFJHTGEBKNONP-NRFANRHFSA-N 423.469 2.833 10 40 HFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OCC)OCO4)C2=O)cc1 409106415 RSNOFCJEPFMBHB-SXGWCWSVSA-N 424.409 2.879 10 40 HFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1N1CCOCC1 409107174 QQXMXEWKNMFOCS-GZTJUZNOSA-N 404.488 2.820 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(N2CCCC2)ncc1Cl 40135747 AAMVUJFGYXUCAX-UHFFFAOYSA-N 415.925 2.839 10 40 HFCB CN1C(=O)C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N(C)C1=S 59139347 BVDBDKDUFJUONZ-UHFFFAOYSA-N 410.451 2.593 10 40 HFCB C[C@H]1CCCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1 260769976 UHBBAOXWBYJGKH-SFHVURJKSA-N 415.559 2.860 10 40 HFCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 408548612 JSHRCTCUOGAHIN-YBFXNURJSA-N 404.426 2.708 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCn1ccnc1 5209151 BEVIENIODDZCMI-VBKFSLOCSA-N 418.519 2.820 10 40 HFCB O=C1CSc2ccc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc2N1 40150209 JWCLZSNYXMRNMT-UHFFFAOYSA-N 411.527 2.870 10 40 HFCB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(C)=O)N2c4ccc(OC)cc4C=C[C@H]32)cc1 101488159 BMVXYLWZOGBKRZ-YSFYHYPLSA-N 418.449 2.683 10 40 HFCB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 4330675 UDGCTXSBIXRJJC-OAQYLSRUSA-N 424.545 2.961 10 40 HFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409148145 OTCDAJRLPGBGTC-FOWTUZBSSA-N 409.417 2.637 10 40 HFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 9189879 FBOPVYTXIOZRKB-VBKFSLOCSA-N 422.464 2.801 10 40 HFCB O=C1N=C(O)/C(=C/NCCCn2ccnc2)C(=O)N1c1ccc(Br)cc1 102613383 TXUKCKQQBLZZTC-UVTDQMKNSA-N 418.251 2.633 10 40 HFCB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(OC)c1O 7428411 PTFBDSROAWIWGB-QGZVFWFLSA-N 417.487 2.860 10 40 HFCB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 65795986 YQQULMCIIHNZSX-UHFFFAOYSA-N 408.545 2.559 10 40 HFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)C1=O 409229219 LMGYOBTXRHEWKB-SDNWHVSQSA-N 415.833 2.744 10 40 HFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22665913 IIJFWSJQJXMTCB-OAQYLSRUSA-N 417.575 2.721 10 40 HFCB COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3ccccn3)CC2)cc1 72342404 FAWDKIMOLJJSLT-UHFFFAOYSA-N 424.545 2.534 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1OC 13714067 OEDRZBWUNRSDGN-GDNBJRDFSA-N 416.480 2.956 10 40 HFCB COc1ccc(N2CCN(CN3C(=O)C4(OCCCCO4)c4ccccc43)CC2)cc1 19874053 IHDWOLVTCPSUKV-UHFFFAOYSA-N 423.513 2.801 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1 408808872 GIRGVGMFZWEEFN-UHFFFAOYSA-N 401.216 2.778 10 40 HFCB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)s1 222736955 BHFZILBMIOAEDU-ZDUSSCGKSA-N 423.564 2.916 10 40 HFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(C)=O 408535305 NMTOPLRUUVEQEJ-PTNGSMBKSA-N 424.409 2.686 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 408851851 GRUNGKXHOZXPFH-RIYZIHGNSA-N 411.370 2.674 10 40 HFCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O 409188103 ALJIZBMQYRJPDT-NTEUORMPSA-N 416.842 2.878 10 40 HFCB Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S 2144229 QODBGRYTNYPGEG-MHWRWJLKSA-N 419.462 2.866 10 40 HFCB CCN1CCc2cc(CN3C[C@H]4C(=O)Nc5ccccc5C(=O)N[C@@]4(C)C3)ccc21 12135367 MNQKSHAZMQTAKV-CYFREDJKSA-N 404.514 2.642 10 40 HFCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1OC 19908704 OYYIBFSKJVCFSP-LJQANCHMSA-N 403.431 2.568 10 40 HFCB Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004012 AAJBRZYCVCNHCG-UHFFFAOYSA-N 402.447 2.760 10 40 HFCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 303944937 ULPBYYNGEQGXEU-UHFFFAOYSA-N 407.514 2.896 10 40 HFCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)O 409196340 ZDSHLCFSVMAWIH-BTAWCLGRSA-N 414.801 2.858 10 40 HFCB COc1ccc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)CCC4)CC2)cc1 22235429 IGODPPLWRUWDBF-UHFFFAOYSA-N 403.482 2.919 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCCC2)cc1 4330715 GMPOEHYYXVFDAT-FQEVSTJZSA-N 416.472 2.923 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCCn1ccnc1 9187648 JFOSYZFHBLMRPW-VBKFSLOCSA-N 418.519 2.820 10 40 HFCB CN(CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 225748005 CVRARTNCOLHQRZ-UHFFFAOYSA-N 406.577 2.895 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1 408882607 PICKFVJXSFCLJZ-LDADJPATSA-N 416.389 2.998 10 40 HFCB O=C(O)CN1C(=O)/C(=C\c2ccccc2I)SC1=S 1601318 ZEDBRRDLSSHTQZ-WEVVVXLNSA-N 405.238 2.577 10 40 HFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCCC2)cc1 5341020 MXTNYNKVYCFFPS-FQEVSTJZSA-N 416.472 2.923 10 40 HFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)CC1 1253536 FTYBAFLJVAGOFF-BOPFTXTBSA-N 404.488 2.949 10 40 HFCB O=C1N=C(O)/C(=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 2735847 LHZIZLVLOKQWPM-UHFFFAOYSA-N 406.803 2.697 10 40 HFCB Cc1cc2nc([C@@H]3CCCN(Cc4ccc(N5CCOCC5)cc4)C3)cc(N)n2n1 12143953 BMTGIKRDRCITRN-LJQANCHMSA-N 406.534 2.836 10 40 HFCB Cc1cc(C(=O)NCCc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)OCCO2 28484125 XWFRSPNCEUULGC-UHFFFAOYSA-N 417.469 2.881 10 40 HFCB COc1cc(OC)c([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC 35323831 QYLQSYJTOFMWEI-OAQYLSRUSA-N 403.431 2.568 10 40 HFCB COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C 96258759 GBQSJWBYJRRYGI-LDADJPATSA-N 413.499 2.591 10 40 HFCB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc1 101361705 LAJBCWWBHBMDDX-PDGQHHTCSA-N 424.482 2.787 10 40 HFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@H]1/N=N\c1ccc(C(=O)O)cc1 104315426 ARKXYEDTRSOTOI-OAFDPHIXSA-N 421.413 2.919 10 40 HFCB CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963884 YAKOQWZXMCQHPS-FQEVSTJZSA-N 412.559 2.758 10 40 HFCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)ccc1Br 9439090 BBEAWKQFFWPMKX-XFFZJAGNSA-N 420.175 2.925 10 40 HFCB CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374953 MVIUSXRYOBHJJL-AYYGCFCKSA-N 406.529 2.956 10 40 HFCB COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 16838314 FOMYOWVBZPBVOM-JOCHJYFZSA-N 409.530 2.881 10 40 HFCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)N=C2O)c1 17057377 SKSTVFWOEDQNMA-NCUBORBFSA-N 424.409 2.808 10 40 HFCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1C 23486384 PICOXWKZMUVGJV-UHFFFAOYSA-N 414.449 2.933 10 40 HFCB CC(=O)Nc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 32099697 OAECBYMDVLJLRL-YBEGLDIGSA-N 400.232 2.869 10 40 HFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1Cl 41077944 GJCYYVSADRNEJJ-UHFFFAOYSA-N 416.817 2.556 10 40 HFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1 106340705 HFPQJRJRFUIKKF-VBKFSLOCSA-N 419.349 2.868 10 40 HFCB COCCNC(=O)Cn1cc(CN(C)c2ccc3c(c2)OCCO3)c2ccccc21 12363930 YUMUOEILFFCIRB-UHFFFAOYSA-N 409.486 2.812 10 40 HFCB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1Cc1ccco1 208208948 PTLIOWPTKDPNIB-ALRNZDJHSA-N 413.524 2.762 10 40 HFCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C(=O)NC1=S 409392287 OUGYBEPJPMRELV-XYOKQWHBSA-N 404.831 2.945 10 40 HFCB O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)NCCc1ccc(O)cc1 5345769 OCTWNFNIGWMQKU-VBKFSLOCSA-N 402.497 2.935 10 40 HFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 59678603 HMCALRHVYBAJAE-MDWZMJQESA-N 414.801 2.778 10 40 HFCB C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 4558324 VCKVUEVUZHRPNV-XHOYROJHSA-N 416.433 2.839 10 40 HFCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13645988 MVNCGWWBBMLHIC-KAMYIIQDSA-N 418.544 2.672 10 40 HFCB COCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310819 HKOLBCPJEQNXHR-LGMDPLHJSA-N 415.540 2.919 10 40 HFCB CS(=O)(=O)N[C@@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1 54468713 AKALRTLDXCABNJ-CQSZACIVSA-N 413.337 2.822 10 40 HFCB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N3CCCCC3)cc1)n2CCOC 9467146 KKWLLJMVVUMMFG-UHFFFAOYSA-N 411.506 2.600 10 40 HFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC 13041644 WSGJCIBYMHLTOI-JTQLQIEISA-N 410.517 2.790 10 40 HFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(SC)cc3)nnc2n1 32858216 VCGYVWAQZFIMKT-UHFFFAOYSA-N 418.552 2.836 10 40 HFCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)C(=O)NC2=S)cc1 409376313 WZIPCNZWMWHQRI-OQLLNIDSSA-N 412.467 2.803 10 40 HFCB CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4116899 XYGRBMNOQNLRAZ-FQEVSTJZSA-N 416.543 2.981 10 40 HFCB CCOc1ccc(O)c(CN2CCC[C@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)c1 19532568 IMODHYGWKBGNJT-IBGZPJMESA-N 412.490 2.528 10 40 HFCB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)[C@H](C)C1 4181710 OSLHCEMJDUDVQZ-QWHCGFSZSA-N 400.435 2.653 10 40 HFCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)N3CCOCC3)ccc21 22733464 FOHIFFWJQFBBDG-OAQYLSRUSA-N 401.457 2.760 10 40 HFCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 4999652 IUCGFQPQSLRQSM-CYUIRQCWSA-N 414.487 2.605 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3n[nH]c4nc5ccccc5n34)CC2)cc1 9635284 IPMXHQOUDKFLOT-UHFFFAOYSA-N 422.514 2.660 10 40 HFCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@H](CO)Cc1ccccc1 16024874 NHGCMWYBLLXSQR-YSKWHIJTSA-N 416.524 2.591 10 40 HFCB Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 6257456 VRTOGCSUESNVFK-NTEUORMPSA-N 401.220 2.610 10 40 HFCB COc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c(O)c1 12143366 IUTIDVLZQHRETP-QFIPXVFZSA-N 408.502 2.538 10 40 HFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 33345497 YNAQXOYOKJXDQD-MDWZMJQESA-N 404.176 2.524 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1C 9263178 GJSMORRPIZOXRQ-ZHZULCJRSA-N 405.454 2.806 10 40 HFCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1 12729959 RVSHTIRVZIHMIC-GDNBJRDFSA-N 407.494 2.952 10 40 HFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)c1 103078817 QDQCCACLNLPTBV-RCCKNPSSSA-N 418.497 2.716 10 40 HFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1 408801613 UXPWVABAVSWPSQ-XNTDXEJSSA-N 414.801 2.802 10 40 HFCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408805348 AITKYTPLPQRUSJ-GHRIWEEISA-N 408.410 2.928 10 40 HFCB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4164076 ZXSPAIXDBQKSET-HXUWFJFHSA-N 416.543 2.656 10 40 HFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCC3)ccc21 8964096 VJOCSELXIHGFAF-QHCPKHFHSA-N 424.589 2.939 10 40 HFCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(C)C 408868068 NFVZKJYJXOLNAG-UHFFFAOYSA-N 413.293 2.549 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(S(N)(=O)=O)cc3)SC2=S)cc1 618255026 NJVGKYKKNVCTQK-GDNBJRDFSA-N 405.526 2.961 10 40 HFCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 103593447 FCONWDZMVBEUNZ-PALNNIJKSA-N 424.530 2.774 10 40 HFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)O 107892751 WEYBRARGZWRLLE-IIMQCXAKSA-N 422.437 2.737 10 40 HFCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409065631 JUPDRMGFEKRFDU-RVDMUPIBSA-N 412.467 2.934 10 40 HFCB O=C1CSC(=S)N1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 3203985 XIERHYHZBJRMTK-FOIPXRHGSA-N 406.488 2.654 10 40 HFCB CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374896 WZPXEQGGDJHMSL-MJOSUIAZSA-N 406.529 2.893 10 40 HFCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c1OC 5477660 UNINJNGMQKLCLG-UVTDQMKNSA-N 401.469 2.645 10 40 HFCB CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)s1 13575222 AJONGWSOPDMWGH-XYOKQWHBSA-N 420.541 2.949 10 40 HFCB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cc(Cl)ccc1O)CC3 19550831 KPWICTVPQXFRNA-UHFFFAOYSA-N 415.877 2.831 10 40 HFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)c(Cl)c3)CC2)cc1 51354064 GMVQWACSBGWQAK-UHFFFAOYSA-N 406.841 2.993 10 40 HFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 9191580 USWMDMFBKOEGGC-ADVGAGMGSA-N 422.441 2.539 10 40 HFCB CN(C)c1ccc(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 40097281 KJURLTMSWOJALZ-UHFFFAOYSA-N 410.927 2.978 10 40 HFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1C 409103291 VVDHEQUUQKBJEE-XMHGGMMESA-N 421.522 2.971 10 40 HFCB CN1CCN(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 4646575 JNFYFZAXIFVYMM-BMRADRMJSA-N 418.526 2.683 10 40 HFCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964033 VPNGMNQKKWVKFG-QHCPKHFHSA-N 420.557 2.557 10 40 HFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CN2CCCC2=O)c1 12554107 HEYMYUUKSYLAOB-UHFFFAOYSA-N 407.514 2.918 10 40 HFCB Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(N)nc3N)cc2)c1C 18086990 DBAASMYBIXCABR-GHVJWSGMSA-N 402.440 2.649 10 40 HFCB CN1CCN([C@H](CNC(=O)c2c(F)cccc2F)c2ccc(N(C)C)cc2)CC1 22589171 UHAJLTAQXFVYDD-HXUWFJFHSA-N 402.489 2.749 10 40 HFCB CN1CCN([C@H](CNC(=O)NCc2cccs2)c2ccc3c(c2)CCN3C)CC1 36705432 YPJWFRNFBAZMCL-OAQYLSRUSA-N 413.591 2.528 10 40 HFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 54360823 AAMPLAGIHYSXSU-CKXDQPNJSA-N 402.453 2.754 10 40 HFCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCCOC)c3ccccc23)SC1=S 409140838 GDQIQQJLOIVTQD-YBEGLDIGSA-N 403.529 2.625 10 40 HFCB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6886612 UMFLXUHPXQUGLQ-UHFFFAOYSA-N 401.374 2.963 10 40 HFCB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 20506683 HIDTWYOVHLVSFS-OTWHNJEPSA-N 414.461 2.705 10 40 HFCB COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2)cc1 32863107 YSQZOOWSWQYGSP-KRWDZBQOSA-N 406.490 2.869 10 40 HFCB COc1ccc(N2CCN(C(=O)CSc3nc(-c4cccs4)n[nH]3)CC2)cc1 4835782 CRDOTAYUPOZHII-UHFFFAOYSA-N 415.544 2.983 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1 5773773 JIGHPWXRBNFYNJ-UHFFFAOYSA-N 401.216 2.778 10 40 HFCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963974 ZFVZZBOBWBNEBV-HXUWFJFHSA-N 414.937 2.998 10 40 HFCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964037 HVODRLYGKDCOGF-JOCHJYFZSA-N 422.529 2.579 10 40 HFCB O=C(C1=CN(c2ccccc2F)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004038 MQGUOZNDWRWRNJ-UHFFFAOYSA-N 406.410 2.590 10 40 HFCB CCc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 408527104 FABMWMIGLMXZGZ-SDNWHVSQSA-N 410.386 2.745 10 40 HFCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 409241136 IZWNBFMPZWROOS-XMHGGMMESA-N 420.469 2.827 10 40 HFCB CCN(CC)c1ccc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(O)c1 19526489 LTYZMUQBTXKCTE-UHFFFAOYSA-N 405.502 2.942 10 40 HFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)c(OC)c3)C2=O)cc1 408535876 UIIOQJMKJFVSGK-UVTDQMKNSA-N 401.806 2.936 10 40 HFCB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 33921086 UPDKHKBGAGMXEM-AQTBWJFISA-N 423.385 2.579 10 40 HFCB CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409391531 INATZIZYIRLTGF-MDWZMJQESA-N 401.806 2.809 10 40 HFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3OC)C2=O)ccc1O 1300391 PEGRKCLDEOILOG-YBEGLDIGSA-N 416.480 2.956 10 40 HFCB COc1ccc(N2CCN([C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 8344122 WMLAHDDDRWBKCV-NRFANRHFSA-N 422.573 2.550 10 40 HFCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)S2)cc1 8964456 VAKVGYIBVXZASR-ZCXUNETKSA-N 420.450 2.991 10 40 HFCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 12561351 KEICOLLYFPYKJW-UHFFFAOYSA-N 400.523 2.746 10 40 HFCB O=C1NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Br)c2)C(=O)N1 408876043 IWASAPVLJDDXTB-UHFFFAOYSA-N 403.207 2.928 10 40 HFCB CCOc1cc(Br)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1O 1506761 IOQBUJKJELQRQA-ONNFQVAWSA-N 418.290 2.839 10 40 HFCB COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccs3)C(C)C)CC2)cc1 8726269 RTQCKVLTSPFCOL-LJQANCHMSA-N 401.532 2.860 10 40 HFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1C 59678387 NOJMMJVOSDKZHN-BGARDKSCSA-N 424.478 2.987 10 40 HFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)cc1C 409193802 LWKHWEIWGLPBIX-MPMPPSQCSA-N 408.410 2.822 10 40 HFCB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 409247514 HWYCMLJBIXLZEP-LDADJPATSA-N 422.441 2.833 10 40 HFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC 409394284 YCRBYRSSXLUZFB-MDWZMJQESA-N 401.806 2.809 10 40 HFCB