smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OC 59139807 IGIJWEFEVMLFSJ-UHFFFAOYSA-N 460.293 2.297 10 40 JECB CN(C)c1c(I)cc([C@H]2NCCC(=O)N2)cc1I 408736720 GDXPLQUXZUEFHK-LBPRGKRZSA-N 471.080 2.070 10 40 JECB COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408868538 NPJRRSNYCMXTLM-CXUHLZMHSA-N 481.324 2.481 10 40 JECB Cn1c(COc2ccccc2)nnc1Sc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-] 59490108 BSJARRRPSNZQKA-UHFFFAOYSA-N 480.462 2.203 10 40 JECB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409065408 LMFJSCGBQHFAKG-STZFKDTASA-N 450.495 2.372 10 40 JECB COc1ccc(N2CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)CC2)cc1 9955269 ONDOTSMKCNOTRN-FQEVSTJZSA-N 474.945 2.340 10 40 JECB Nc1c(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 22239654 HBYXXUGJZXDERY-INIZCTEOSA-N 467.551 2.471 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCCN3C)CC1 22735163 ITNDZYMRRPTRFM-QHCPKHFHSA-N 471.552 2.391 10 40 JECB COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 110221610 CTEJOECVTMQTHA-AWNIVKPZSA-N 493.266 2.265 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 2398580 XMUJTSUSXWGJEM-ITICKHJUSA-N 462.531 2.482 10 40 JECB CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)cc1 22920911 USHZVXSWLXYEKU-GSLIJJQTSA-N 481.616 2.361 10 40 JECB biogenic,in-vitro COC(=O)Cc1c(C)c2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2oc1=O 524731860 MTRHGFJNJORLQL-CVEARBPZSA-N 450.491 2.304 10 40 JECB biogenic Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734974 QJFSPUZQXRFICL-RUZDIDTESA-N 463.626 2.099 10 40 JECB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 105490432 GZRMOPSRPBISKV-GHRIWEEISA-N 494.639 2.455 10 40 JECB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 2359259 GCKIKDDQUIDULO-KWZJRMENSA-N 460.581 2.441 10 40 JECB COc1ccc(N2CCN(CC(=O)N[C@H](C)[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 12562262 OXTUARLEGKYGKP-QFQXNSOFSA-N 452.599 2.395 10 40 JECB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408883352 PLKALEQDRMEYBL-LICLKQGHSA-N 457.870 2.490 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1OCC 409221852 BARBJFUBMJRFNA-GZTJUZNOSA-N 497.504 2.413 10 40 JECB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 44840626 XTVVFGHIXKTQIY-GOSISDBHSA-N 450.539 2.492 10 40 JECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 108809062 MOCKAHCPVSMUTA-LJQANCHMSA-N 461.559 2.379 10 40 JECB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(N)=O 408529490 IHESFTBXTGASBX-YHYXMXQVSA-N 464.306 2.043 10 40 JECB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc2c1C(=O)c1ccccc1C2=O 9138676 DJIRTYLIICNVBE-UHFFFAOYSA-N 472.453 2.196 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 57414846 SFHVJSQKXSRVDC-QHCPKHFHSA-N 466.538 2.307 10 40 JECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408537389 DJNKFHUIOHKZFG-JQIJEIRASA-N 460.494 2.486 10 40 JECB O=C1/C(=C/c2c(NCCN3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 8857993 WYGOEGPTXUIKFN-JXAWBTAJSA-N 497.602 2.433 10 40 JECB CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504425 CBCDYICNUNKFEQ-IRLDBZIGSA-N 465.558 2.059 10 40 JECB COc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O 2774172 QPOBAIDCIUEVNI-UHFFFAOYSA-N 490.335 2.390 10 40 JECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccccc3NC(C)=O)C2=O)cc1OC 9293496 QOHPGBNXTMCGOY-DTQAZKPQSA-N 452.467 2.279 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(-c4cccc(F)c4)nc(C)c(CCO)c3=O)CC2)cc1 67316846 NLFIQAYQKAQJGW-UHFFFAOYSA-N 480.540 2.250 10 40 JECB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1 107934252 JIRQVPWMMVBPOR-PDGQHHTCSA-N 471.897 2.048 10 40 JECB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)c1C 409230660 FCINADBYFWWRNU-XSFVSMFZSA-N 479.558 2.372 10 40 JECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13590367 SUSDUUKFIXBCFE-CYVLTUHYSA-N 454.508 2.440 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 2195313 COXPCPFIFVGUGZ-ZPBCLNFZSA-N 462.462 2.017 10 40 JECB Cc1ccc(S(=O)(=O)NN/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1 408531300 KGUTZDGXNYNZPF-QGOAFFKASA-N 450.476 2.098 10 40 JECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c(C)c1 408532625 QORHVRJVXJNOPP-LDADJPATSA-N 456.524 2.441 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)cc1 408534960 RWEAVRISMKRUBN-QINSGFPZSA-N 462.466 2.456 10 40 JECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408963169 XOWZFVPBLWIGOW-QGOAFFKASA-N 492.532 2.471 10 40 JECB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 101995509 RDAKYKIUVBXMMM-ASKKUZCQSA-N 461.268 2.154 10 40 JECB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 16217048 YDUHNBXTPIRTHQ-UHFFFAOYSA-N 459.568 2.451 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 23080595 RIHLIENNUUKHBQ-OAQYLSRUSA-N 462.616 2.037 10 40 JECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 15930924 XUHLZOXLTUSAPX-AQTBWJFISA-N 454.870 2.391 10 40 JECB O=C(O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 34688679 YFUNZZVOZOYMND-QPEQYQDCSA-N 462.212 2.282 10 40 JECB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735544 UNSVUVBHFCHMAS-HSZRJFAPSA-N 488.654 2.353 10 40 JECB CCOC(=O)[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33668714 LDZYPLAMTJZSCL-ATTDUZETSA-N 455.423 2.395 10 40 JECB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 97600811 GEUQTCWRJOUCJM-GZTJUZNOSA-N 460.537 2.075 10 40 JECB CCCCCCN1C(=O)NC(=O)/C(=C/NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 20410723 NUISROJODGIQFP-TXQCQQFXSA-N 472.542 2.085 10 40 JECB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)n1-c1ccccn1 35388064 MKMKWIXHAUMOPH-UHFFFAOYSA-N 496.589 2.450 10 40 JECB O=C(O)CN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 80345471 OCNASMMCFDPHQT-HEUOVEHFSA-N 482.543 2.126 10 40 JECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 10113346 UXJCUAJMCYTBET-UHFFFAOYSA-N 482.400 2.368 10 40 JECB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20548541 NZWAHZQUPJZOFJ-AYFLJRIOSA-N 453.470 2.000 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(C)CC3)C2=O)c(C)c1 408527191 FJEXLHCXNOFBIM-DTQAZKPQSA-N 489.536 2.216 10 40 JECB NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 408965239 UWBIQDGUXMFEPQ-OQLLNIDSSA-N 460.309 2.145 10 40 JECB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NCCN1C(=O)CSC1=O 16097424 HWXNVXIXTKCUJX-UHFFFAOYSA-N 462.553 2.245 10 40 JECB CC(C)(C)NC(=O)CN1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 21763178 QQQPVJSWIBTBJQ-UHFFFAOYSA-N 468.598 2.050 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1 409222712 DMHNPCOSGNTEJV-OQLLNIDSSA-N 488.294 2.378 10 40 JECB Nc1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)ccc2c1C(=O)c1ccccc1C2=O 9138893 MGJNBRMUKJTOTN-UHFFFAOYSA-N 458.426 2.246 10 40 JECB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2 9470979 XFRPMDJEPRRPES-UHFFFAOYSA-N 475.457 2.252 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1OC 19817970 MFPKJXBDDQTXDZ-FCHUYYIVSA-N 466.538 2.232 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 2145911 WRCGZELKTUXIHB-LPPOOGIUSA-N 498.536 2.013 10 40 JECB biogenic CCN1C(=O)/C(=C\c2cn(CC(N)=O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778061 DIOSMNQEIZLCCH-BKUYFWCQSA-N 494.573 2.055 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CCSC)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 103002182 QLAXUAXBXIZJAY-YDLHNXBPSA-N 486.546 2.436 10 40 JECB O=C(O)CCCN1C(=O)/C(=C\C=C2\SC(=S)N(CCCC(=O)O)C2=O)SC1=S 6015776 PRRVBBSFELMYKY-NXZHAISVSA-N 460.580 2.204 10 40 JECB Nc1c(S(=O)(=O)O)cc(NS(=O)(=O)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O 15080974 ICXVIQFALQEGHS-UHFFFAOYSA-N 472.500 2.233 10 40 JECB CN(C)c1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Br 41077730 WPBDKGXUUWMAMH-FUMQGXJOSA-N 456.347 2.136 10 40 JECB COc1ccc(N2CCc3nn(CC(=O)NCCc4ccc(OC)c(OC)c4)c(=O)cc3C2)cc1 57743749 QUTNBJNPILABEJ-UHFFFAOYSA-N 478.549 2.191 10 40 JECB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 104219188 JLNYJNUKSALTHI-FTGFMQHASA-N 451.395 2.309 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)[C@H](C(N)=O)C2)cc1 257215645 CRABHPYMZNRNMK-QHCPKHFHSA-N 451.571 2.300 10 40 JECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c1 408533017 NVRSOCOBBWAZKL-NTCAYCPXSA-N 462.510 2.139 10 40 JECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(O)cc1O 408844098 BBNUZTSOPNMVAP-XCVCLJGOSA-N 494.197 2.098 10 40 JECB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 108052118 MPYYJPDFMIFQOR-XDHOZWIPSA-N 488.591 2.400 10 40 JECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCOCC3)ccc21 21887021 KOFWDUWYLXMMQY-HSZRJFAPSA-N 454.546 2.014 10 40 JECB COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 27016494 QEGNLOFZSZBXLJ-UAFQZRAQSA-N 474.608 2.464 10 40 JECB Cc1c(N/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 100773558 WEEXUPRKDOVISY-RGEXLXHISA-N 463.469 2.240 10 40 JECB C[C@H](CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21)S(=O)(=O)O 101376925 LFURIYIBNYWXSS-ZVNCQBAKSA-N 460.580 2.379 10 40 JECB C[C@@H](CCN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21)S(=O)(=O)O 2512558 LFURIYIBNYWXSS-HRYUNSTCSA-N 460.580 2.379 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 10232927 ICXKTODXZHFIEE-ZKMNFCBKSA-N 468.622 2.322 10 40 JECB O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 3067190 XAJSSHVFFUMVOK-UHFFFAOYSA-N 452.517 2.467 10 40 JECB CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 16733736 ZGIOHBWTYOMOPF-PTNGSMBKSA-N 473.580 2.112 10 40 JECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)cc1OC 9463024 YIYRLFJOQLGDMQ-QGOAFFKASA-N 452.467 2.279 10 40 JECB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 9891814 OJPVTFNVKDOOJW-ZHZULCJRSA-N 472.501 2.475 10 40 JECB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021988 NZWAHZQUPJZOFJ-XXPWESIGSA-N 453.470 2.000 10 40 JECB CCCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20289998 CASMHJNPLNUCPL-ICFOKQHNSA-N 473.624 2.440 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(N)=O 409227748 WEFYEDXKHFINRI-VGOFMYFVSA-N 488.840 2.177 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C1=O)N(C)CC3)OCO2 20410803 OATDKCWTINWDON-ZYNFKGNASA-N 492.532 2.326 10 40 JECB biogenic Cc1ccc(N2C(=O)[C@H](/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 408850895 FTACWOTWDBYNBJ-MKRLJBPISA-N 496.545 2.181 10 40 JECB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 409203063 WAAWZVPEDDILHL-SFHVURJKSA-N 461.584 2.500 10 40 JECB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)cc1 409232365 QINJXWZIWTVZTD-CPNJWEJPSA-N 453.520 2.372 10 40 JECB O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643554879 OVACNCPKEWKCEB-HHHXNRCGSA-N 490.560 2.299 10 40 JECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CS[C@@H](C(=O)O)C3)C2=O)cc1 2301187 YBAXASPNRTWIPV-YLHGKKIISA-N 466.562 2.051 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 408598059 ZEFDZVAMCUNHPU-OAHLLOKOSA-N 467.975 2.373 10 40 JECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 107687828 MBXIPQNEVQCWNQ-UHFFFAOYSA-N 463.874 2.420 10 40 JECB CN(C)Cc1cc(S(=O)(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc(CN(C)C)c1O 1682916 GEIDYCNVAXROKN-UHFFFAOYSA-N 478.659 2.177 10 40 JECB Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 2194647 SSRORVXYJQNFQN-YBEGLDIGSA-N 462.597 2.281 10 40 JECB COc1ccccc1N1C(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S 13810595 HOMXDMNWLZJXOW-SSZFMOIBSA-N 463.519 2.237 10 40 JECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408526417 BWVWSEPZYXYLOW-VAWYXSNFSA-N 482.884 2.337 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc(OC)c2)C1=O 102550438 KKNRFTSTJZYYKP-ZPBCLNFZSA-N 478.530 2.182 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 2145723 DRXYPGJWJRWFHW-IDKBZEPQSA-N 498.536 2.013 10 40 JECB COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)SC2=S)cc1 408526252 AGWAVYRUGSGFEJ-MFOYZWKCSA-N 499.530 2.340 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2383679 ATGGLPAUTPUMTD-ZPBCLNFZSA-N 462.462 2.017 10 40 JECB COc1ccc(OC)c(N/C=C2/C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 101031202 GLJKQQICXASCKT-SSZFMOIBSA-N 455.467 2.338 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)cc1 585281848 CIKNDFKTQPMCDH-VWLOTQADSA-N 460.546 2.308 10 40 JECB COc1cc(OC)c2[nH]c3c(c(=O)c2c1)C(=O)c1[nH]c2c(OC)cc(OC)cc2c(=O)c1C3=O 5386044 MMDDWSPYZBPKNS-UHFFFAOYSA-N 462.414 2.179 10 40 JECB CN1C(=O)C(=Cc2ccc(Sc3nc4ccccc4c(=O)n3C)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 59488555 QZGFVMGRBFVYNG-UHFFFAOYSA-N 479.474 2.427 10 40 JECB Cc1cc(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c(C)n1-c1ccc2c(c1)CCC2 96311031 GXFZSNSBMRQIPR-UHFFFAOYSA-N 464.610 2.242 10 40 JECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 102414470 YCBDADFDHFNHEK-LGMDPLHJSA-N 477.477 2.080 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22735822 XBBIONZWCLWYCF-HSZRJFAPSA-N 458.628 2.263 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)cc1OC 19817896 MUDPFNGEPKXJGF-DHIUTWEWSA-N 496.564 2.241 10 40 JECB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2)cc1 225527745 WVCNSGZNFTZNJK-JOCHJYFZSA-N 470.639 2.464 10 40 JECB O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O 21992201 ZJONSYFOVDKINV-UWJYYQICSA-N 458.375 2.233 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)[C@@H](C(=O)N(C)C)C2)cc1 257207669 BIRPPWYMMSOFMH-HSZRJFAPSA-N 464.570 2.108 10 40 JECB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)NC1=S 408904244 GZVCYMHVXLJODC-OQLLNIDSSA-N 474.336 2.453 10 40 JECB CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1cc(C)ccc1OC 16678305 TXUICKKZIWIOSA-UHFFFAOYSA-N 461.584 2.372 10 40 JECB CCn1nnnc1SCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 9336657 NXXBIMRNDDUIDL-UHFFFAOYSA-N 490.611 2.096 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@@H](C)C(=O)NC(C)C)cc3)CC2)cc1 408603420 JTTQGMFIKGDDAP-SFHVURJKSA-N 461.584 2.498 10 40 JECB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)O)C1=O 8870207 QOUFCFHIXAYDPJ-NKUXHIIISA-N 461.565 2.059 10 40 JECB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4O)N[C@@](CCSC)(C(=O)O)[C@@H]3C2=O)cc1 19848584 XFHSYDWHPZOBMB-AZXNSQLWSA-N 486.546 2.436 10 40 JECB COc1ccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@](O)(COc4ccc(C)cc4)C3)CC2)cc1 585283113 PUSRSCJGXWTDNP-NDEPHWFRSA-N 497.636 2.309 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22809465 IKHVPBNDRATFQZ-QFIPXVFZSA-N 458.006 2.127 10 40 JECB O=C(O)CCCN1C(=O)/C(=C2/SC(=S)N(CC(=O)O)C2=O)c2cc(Br)ccc21 95470854 HUAJVZNNWAIPHZ-BUHFOSPRSA-N 485.337 2.317 10 40 JECB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1ccc(Br)cc1 199283777 UEJBQHXMAVRAHW-UHFFFAOYSA-N 460.309 2.381 10 40 JECB COc1ccc(N(CCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 224726411 FDNQWKYWXGLYGI-UHFFFAOYSA-N 474.627 2.310 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(F)cc1 20674755 WABYOOLKUVCBPS-NHCUHLMSSA-N 454.502 2.363 10 40 JECB COc1ccccc1N1C(=O)C(=CNCCN2CCOCC2)C(=O)N(c2ccccc2OC)C1=S 19995791 FQFXAMRCOBEPCX-UHFFFAOYSA-N 496.589 2.174 10 40 JECB COC(=O)c1ccc(C(=O)OC)c(/N=N/[C@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 100050474 KEZJTZQNDCLRDB-OZMIJRPQSA-N 453.411 2.109 10 40 JECB Oc1ccccc1CN[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514288416 DKWLIICYZCUBNZ-ILWGZMRPSA-N 451.489 2.451 10 40 JECB biogenic,in-vitro CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2369760 FDAJGGAAYXJVGT-WIOAZZGGSA-N 471.608 2.396 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1 22735132 JMCLZKFLXUZLRD-QHCPKHFHSA-N 471.552 2.391 10 40 JECB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 9003810 VYVGJTCTSZCQKK-XTIFCCNPSA-N 492.648 2.459 10 40 JECB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 100726196 CBZGUKSAQGLGJO-ROUUACIJSA-N 462.462 2.151 10 40 JECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409220594 BXMUDNWYDZJTAK-UNOMPAQXSA-N 454.458 2.202 10 40 JECB Cc1cc(=O)c(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)nn1-c1ccccc1Cl 32915691 XNBBPRMASNUEQG-UHFFFAOYSA-N 451.914 2.061 10 40 JECB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(=O)(=O)N(C)C)c1 22525061 VJEUISQIGVMMBK-UHFFFAOYSA-N 460.600 2.069 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 22735098 WOBJIGBRKCHSNQ-DEOSSOPVSA-N 495.624 2.130 10 40 JECB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735334 XPILOEDATZOBFL-VWLOTQADSA-N 492.624 2.071 10 40 JECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409223254 DYEUTZJYCFWVIB-MOSHPQCFSA-N 450.495 2.372 10 40 JECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C 408532233 QALAGQBOPUUZFF-MNDPQUGUSA-N 459.554 2.347 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C1=O)N(C)CC3)OCO2 104032304 OATDKCWTINWDON-MVDPLZLPSA-N 492.532 2.326 10 40 JECB CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8728077 UUPSKROSFNOHAG-UHFFFAOYSA-N 479.624 2.128 10 40 JECB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 10914806 IDJCTFMYXUZEQM-UHFFFAOYSA-N 467.437 2.423 10 40 JECB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)cc21 408535223 VIKQXPBYRIVNFQ-AUWJEWJLSA-N 475.533 2.393 10 40 JECB COc1ccc(N2CCN(C(=O)CNC(=O)c3cc4c(OC)ccc(OC)c4[nH]3)CC2)cc1 13733620 XTOVOBVUBSWSGL-UHFFFAOYSA-N 452.511 2.272 10 40 JECB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 16779121 XUXGGGQWVOQMQV-YVLHZVERSA-N 493.588 2.191 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCN3C)CC1 22734351 IHQPQGXBICXHKF-QFIPXVFZSA-N 457.525 2.001 10 40 JECB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 22928863 FCPBESNESIGAGX-XMMPIXPASA-N 465.602 2.301 10 40 JECB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225952085 ALVXOTVDUXGJNX-UHFFFAOYSA-N 483.642 2.237 10 40 JECB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1ccc(O)cc1O 36033874 FIVDXJYNHZJKPR-VKDGWMQASA-N 454.479 2.426 10 40 JECB COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 16214962 QWFZMTNKMWNWOE-UHFFFAOYSA-N 463.449 2.126 10 40 JECB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 409211442 NFRCLSFXBKWJLD-GZTJUZNOSA-N 469.429 2.102 10 40 JECB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9253955 WIHGHOVFEYZYSH-UHFFFAOYSA-N 480.502 2.018 10 40 JECB CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734298 RJHUCVMBKORYMY-HSZRJFAPSA-N 467.639 2.444 10 40 JECB CN(C)c1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccc(F)cc4)N3C2)cc1 22936760 YPFZEOQBIGKEJQ-QTJGBDASSA-N 467.589 2.019 10 40 JECB biogenic,in-vitro COCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 27016502 QEGNLOFZSZBXLJ-SBSYXSKNSA-N 474.608 2.464 10 40 JECB CCN1C(=O)C(=CNc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)C(=O)N(CC)C1=S 9634094 ANZFEWAEIJSUOD-UHFFFAOYSA-N 477.568 2.384 10 40 JECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C)C1=O 408526406 BVRVUSFFIYOMJX-XDJHFCHBSA-N 498.561 2.157 10 40 JECB COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCC(N)=O)c(OC)c4)S3)CC2)cc1 9188202 VFVALEXAPBHBRI-STZFKDTASA-N 482.562 2.360 10 40 JECB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41077710 NTSQGPOJDIHSSJ-AQINLTQESA-N 475.464 2.485 10 40 JECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 12545254 VDEGGIBEPBBTKZ-UHFFFAOYSA-N 479.625 2.371 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C1=O)N(C)CC3)OCO2 20410801 OATDKCWTINWDON-LOHYDARVSA-N 492.532 2.326 10 40 JECB biogenic NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 408905526 YSTRLBVXFPEZPI-OVCLIPMQSA-N 460.309 2.145 10 40 JECB COc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 12517267 ORDZINSXLDNSSA-UHFFFAOYSA-N 458.584 2.240 10 40 JECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 108809064 MOCKAHCPVSMUTA-IBGZPJMESA-N 461.559 2.379 10 40 JECB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(I)o1 409192344 BBDOIQFJZDZZOF-YRNVUSSQSA-N 468.228 2.414 10 40 JECB Cc1cc(O)nc(Sc2oc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2Br)n1 409087157 GPGYHBPMTPOESE-UHFFFAOYSA-N 453.274 2.431 10 40 JECB CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2cc(Br)ccc21 409147310 YGLUASILEYSXIY-MLPAPPSSSA-N 450.314 2.223 10 40 JECB Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C(=O)NC1=S 409234772 YBOATSFWHWTSPL-XMHGGMMESA-N 465.531 2.064 10 40 JECB CCOc1cccc([C@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O 15240813 MXGAIUNQEBMILM-JJEXOMBSSA-N 490.516 2.026 10 40 JECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3C)CC2)cc1 408527359 DIEAPNKEKCHDGQ-UHFFFAOYSA-N 461.584 2.418 10 40 JECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)cc1 409197481 GQSCQAYBHQEZRP-UHFFFAOYSA-N 461.584 2.357 10 40 JECB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)c1 409245920 AXKCAIUCEHMPLC-XSFVSMFZSA-N 465.531 2.064 10 40 JECB COCCn1c(S)nc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 3051851 VSJYPQZMVKULGO-UHFFFAOYSA-N 454.552 2.303 10 40 JECB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408729169 AZRYWNMERIDVAY-MJLBXUHQSA-N 482.518 2.474 10 40 JECB CCOC(=O)c1cccc2c(=O)c3c([nH]c12)C(=O)c1c([nH]c2c(C(=O)OCC)cccc2c1=O)C3=O 5386042 OZWTYCPVFTZUEW-UHFFFAOYSA-N 486.436 2.498 10 40 JECB CCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20265936 XGQAHFVCRQBXEG-PEZBUJJGSA-N 459.597 2.050 10 40 JECB COc1ccc(N2CCN(CC(=O)N[C@H](C)[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 12562266 OXTUARLEGKYGKP-RLWLMLJZSA-N 452.599 2.395 10 40 JECB CCn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C/c4ccc(F)cc4)S3)CC2)c(C)n1 71784918 SNOCMOSHYXBJSE-ATVHPVEESA-N 463.560 2.327 10 40 JECB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@@H]1/N=N\c1ccccc1C(=O)O 104219173 JLNYJNUKSALTHI-ANEHGGCBSA-N 451.395 2.309 10 40 JECB COC(=O)c1ccc(Oc2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20395367 SPVDFCDXYYQCHN-UHFFFAOYSA-N 454.479 2.187 10 40 JECB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc(OC)c1O 103101614 WWZKMAKLFSFPOS-DVWNZROTSA-N 457.512 2.431 10 40 JECB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3350881 CNJPRESHQIQXBL-UHFFFAOYSA-N 475.596 2.219 10 40 JECB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857759 XJKIBKNNIKIRIR-HSZRJFAPSA-N 465.598 2.121 10 40 JECB O=C(O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 35167390 POCWLVDAJAHHAC-JYRVWZFOSA-N 464.215 2.216 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(N)=O)C2=O)cc1OC 409227537 ZMLMURBMNNYAOS-LFIBNONCSA-N 453.451 2.015 10 40 JECB COC(=O)COc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409407604 MYWIYBBYTPUNDA-ZSOIEALJSA-N 461.268 2.471 10 40 JECB COc1ccc(N2CCN(C(=O)c3cn(C)c4c(=O)n(Cc5ccccc5)c(=O)[nH]c34)CC2)cc1 9651361 GHHMNMGNEYPNGR-UHFFFAOYSA-N 473.533 2.048 10 40 JECB CSCC[C@@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 8964371 KKHQMUOUNGXXQT-KEXUJGGDSA-N 456.520 2.120 10 40 JECB Cc1ccc(N2C(=O)[C@H](/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 103849094 IGFGILVKNVKGIS-LPPOOGIUSA-N 480.477 2.016 10 40 JECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCN(C)CC3)nc12 27016641 OBFGDSPJHFKSMP-HZGBGQKMSA-N 485.635 2.135 10 40 JECB COCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2357117 FQIZXQUXZRFKOW-SSZFMOIBSA-N 460.581 2.077 10 40 JECB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C(=O)NC2=S)cc1 9310875 PRRMVKBOOKJVGR-YBEGLDIGSA-N 456.476 2.389 10 40 JECB COc1ccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@](O)(COc4ccccc4)C3)CC2)cc1 585283639 STXUDMYSGVJKKN-HHHXNRCGSA-N 483.609 2.001 10 40 JECB COc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C(C)C)cc1 32772592 VSQNQBKDFUVCDV-QHCPKHFHSA-N 475.611 2.493 10 40 JECB COc1cc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc(OC)c1OC 13399972 QVPQOQHFYJCXSN-VBKFSLOCSA-N 454.570 2.409 10 40 JECB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409123595 HMBAKCGFSWNMFE-XDHOZWIPSA-N 468.535 2.088 10 40 JECB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCOCC2)cc1 223436574 WKEDNQOGHLSZHM-UHFFFAOYSA-N 461.584 2.031 10 40 JECB COc1cc(CN/C=C2\C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc(OC)c1 2398029 QEOPRWTYVRQTTC-XMHGGMMESA-N 469.494 2.016 10 40 JECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 13007958 FISYUKBCFNAIGO-QFIPXVFZSA-N 464.566 2.367 10 40 JECB CCCn1c(N)c(C(=O)CSc2ncc(-c3ccc4c(c3)OCCO4)n2CC)c(=O)[nH]c1=O 23291277 VPGIFAIUHYACRP-UHFFFAOYSA-N 471.539 2.158 10 40 JECB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 101995516 RDAKYKIUVBXMMM-NLDJYOPPSA-N 461.268 2.154 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)[C@@H](C(N)=O)C2)cc1 257233225 GOIKKZKHCJDQBI-HSZRJFAPSA-N 461.522 2.497 10 40 JECB C[C@H]1CN(c2ccc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cc2F)C[C@H](C)O1 108282699 IAPKUFZKRXPUIA-IRXDYDNUSA-N 467.549 2.410 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 13584327 HFOUKGOEUXHDPB-LAHQVWKISA-N 474.608 2.464 10 40 JECB C[C@H]1CN(c2ccc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cc2F)C[C@@H](C)O1 108282697 IAPKUFZKRXPUIA-CALCHBBNSA-N 467.549 2.410 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)O 33654315 JHZZIYSFVASTQT-QPEQYQDCSA-N 494.241 2.225 10 40 JECB CN(C(=O)CSc1ncc(-c2ccccc2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12603734 MRNIEIROACQRJT-UHFFFAOYSA-N 476.562 2.323 10 40 JECB Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C2=O)c1C 408535914 UPACCQJQHDBORB-NTEUORMPSA-N 493.339 2.292 10 40 JECB Cc1cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16695250 WDQAAFASAAFYJL-RTWAWAEBSA-N 474.579 2.446 10 40 JECB COc1ccc(N2CCN(C(=O)CN3C(=O)C(=O)N(CCC4=CCCCC4)C3=O)CC2)cc1 9125108 HVGRMJVYLVBURA-UHFFFAOYSA-N 454.527 2.025 10 40 JECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1F 22734387 YYLAFLRRIRIPIM-QHCPKHFHSA-N 453.562 2.170 10 40 JECB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408729170 AZRYWNMERIDVAY-PGNDWZGLSA-N 482.518 2.474 10 40 JECB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21 2316477 RHZOLPZVZNFIQL-WOJGMQOQSA-N 450.451 2.499 10 40 JECB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1 8452789 OEFUDZPAMJZGSB-NTCAYCPXSA-N 489.351 2.132 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(N)=O 33664365 KDIWJOPLBAEBIF-GHXNOFRVSA-N 480.702 2.437 10 40 JECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CCc3ccccc3C2)cc1 36683778 BGUVFZVWGFVBOZ-BJKOFHAPSA-N 450.583 2.263 10 40 JECB Cc1cc(C(=O)COc2nnc3ccccn23)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9366016 JGCDDAGPQCBJHB-UHFFFAOYSA-N 495.561 2.419 10 40 JECB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504255 BNCRFESBKUHJSG-HSZRJFAPSA-N 451.575 2.306 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O 409220192 ZAGLVUNWEGRRPL-RIYZIHGNSA-N 488.294 2.378 10 40 JECB CN(C)c1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4NC(=O)C(F)(F)F)nn3c2=O)cc1 1617161 GITPGUPSPRSBTR-LFIBNONCSA-N 487.463 2.293 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 104055885 WRCGZELKTUXIHB-KGZWWPETSA-N 498.536 2.013 10 40 JECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 408949364 HUEPOJMAAQRKHX-CXUHLZMHSA-N 482.445 2.422 10 40 JECB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)NC(=S)N(Cc2ccccc2)C1=O 9274089 FJCPUGWXWSLYLD-RVDMUPIBSA-N 455.492 2.230 10 40 JECB COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(C)c1=O)S2 847826 YDKMZBOEAWYHLK-YLRGQORSSA-N 464.572 2.337 10 40 JECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)c1 8740383 JSLJZPVWYNPLOV-DNKLCNGGSA-N 451.483 2.297 10 40 JECB biogenic CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408842755 BCLFXOAKDVVJEW-XSFVSMFZSA-N 474.535 2.467 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)nc3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 648889 JGGZYCRBYUTMDD-IMEWXKHHSA-N 479.606 2.389 10 40 JECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/[C@H]2C(=O)N(CC(=O)O)c3ccccc32)SC1=S 20227423 ORLYRMAILAYKEE-HRQBQTGPSA-N 466.562 2.152 10 40 JECB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@@H]2C(=O)O)SC1=S 256055379 DURLBDOPWTVBNY-HRYODUOUSA-N 453.929 2.468 10 40 JECB Cc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1 3304750 VKDNWYKLCLTFJQ-UHFFFAOYSA-N 455.536 2.257 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)NC3=C(C(=O)OCC)[C@@H]4CCC[C@@H]4S3)nnc2n1 10165946 PHICKQQHEHMNGK-NEPJUHHUSA-N 492.631 2.281 10 40 JECB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 20065187 BVSMRXIPOQPSRI-IYWFSZBXSA-N 487.651 2.117 10 40 JECB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 101684115 LWCWDUXJHLIDEX-DEOSSOPVSA-N 494.592 2.306 10 40 JECB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 224693628 HZPDGFRHMYEZQI-QFIPXVFZSA-N 461.584 2.393 10 40 JECB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C3/OC(=O)c4ccccc43)SC2=S)cc1 16739609 RJOUGZOBXAMDJJ-MSUUIHNZSA-N 489.556 2.062 10 40 JECB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)s2)c1 223421420 WQNZAESIHYEQBL-UHFFFAOYSA-N 473.580 2.414 10 40 JECB CCOC(=O)COc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC 59139838 PYXDDTHQXLFIPA-UHFFFAOYSA-N 485.356 2.388 10 40 JECB CCN(/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9486563 ZSNCGYYCHHGAPD-BRFSQIRFSA-N 470.638 2.457 10 40 JECB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)c1 409235301 BBVWCYZBQZYANZ-KGENOOAVSA-N 495.557 2.154 10 40 JECB CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 9379668 XNKPMLCSYDSCQQ-IYWFSZBXSA-N 485.635 2.217 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 9974503 HQKIZEJYPFTRFQ-IBGZPJMESA-N 473.595 2.453 10 40 JECB CCN1C(=O)C(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(=O)N(CC)C1=S 98086262 FCRUMMGGWNUSAJ-KRWDZBQOSA-N 468.579 2.315 10 40 JECB CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@@H]2NCC[C@H](C)N2)cc1)C(=O)Nc1ccccc1C 104123893 WSRFWMXSXPJDBD-VKRAOQDMSA-N 472.571 2.208 10 40 JECB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCN(c5ccccn5)CC4)c3=O)CC2)cc1 101373831 YCSITXREHIPXGZ-UHFFFAOYSA-N 491.592 2.393 10 40 JECB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@H]1/N=N\c1ccccc1C(=O)O 104219183 JLNYJNUKSALTHI-XZSMOWGESA-N 451.395 2.309 10 40 JECB CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)C(=O)N(C)C1=O 575443026 NNPHLDUFOKUFDF-WDZFZDKYSA-N 455.261 2.135 10 40 JECB CCCCCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 9293076 IZSZLYSDBQZRQT-UHFFFAOYSA-N 454.575 2.349 10 40 JECB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887119 PIAWXAXHNTZVBA-QFIPXVFZSA-N 452.555 2.206 10 40 JECB CCOC(=O)COc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 108063788 DWLFBPFJXRHZEJ-YVLHZVERSA-N 471.466 2.167 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 585287610 PNLPCVARKHADPT-SANMLTNESA-N 456.583 2.477 10 40 JECB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)s2)cc1 225018160 RJCVVWVVOLXJNU-UHFFFAOYSA-N 473.580 2.414 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2529315 XKEPLSLKPBYNAE-VZIOXZNFSA-N 493.585 2.491 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3nc4c(Oc5ccccc5)nccn4c3=O)CC2)cc1 33175698 JVGUQYVEBUEIOL-UHFFFAOYSA-N 460.494 2.041 10 40 JECB COc1ccc(-c2coc3c(CN4CCN([C@H]5CCS(=O)(=O)C5)CC4)c(O)ccc3c2=O)cc1 95471364 SKZORKTZFMTBQC-SFHVURJKSA-N 484.574 2.479 10 40 JECB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2787438 LWOAWPMKOBRPRI-CKNGIZQFSA-N 465.579 2.081 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958673 IXPGAMUPYUVAMZ-HGXGVQFASA-N 469.497 2.261 10 40 JECB biogenic COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19973076 QXQHDMYSPPKKCI-XMMPIXPASA-N 489.580 2.390 10 40 JECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 100930058 VTSYFCGXNBVLOW-OQKWZONESA-N 492.576 2.463 10 40 JECB Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9124903 XKMOHALKAWXCCK-QRWLVFNGSA-N 460.552 2.497 10 40 JECB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)cc1 13959729 PKXDNNXWXISGIU-IMEWXKHHSA-N 479.606 2.296 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(F)cc1 20674761 WABYOOLKUVCBPS-RTWAWAEBSA-N 454.502 2.363 10 40 JECB COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1 23408553 DOEXBVBSHCGRCP-DEOSSOPVSA-N 452.511 2.013 10 40 JECB COCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 1821974 HJWNBTFZVHNVSF-VQCBNXJZSA-N 460.581 2.441 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1OC 8819479 ILITXSRNTGHUGU-LGMDPLHJSA-N 451.570 2.049 10 40 JECB COc1nc(Oc2cccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2)nc(N2CCCCC2)n1 16188949 HOJRPQMWLLFZTJ-UHFFFAOYSA-N 452.471 2.097 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCCN3C)CC1 22735266 TXPTYYDFEDVCSS-DEOSSOPVSA-N 484.044 2.444 10 40 JECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)c1 408534958 RVMUQULRALFNSU-NTCAYCPXSA-N 476.493 2.301 10 40 JECB COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)CC2)cc1 9955270 ONDOTSMKCNOTRN-HXUWFJFHSA-N 474.945 2.340 10 40 JECB COC(=O)COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139413 YCBYUCCOQXWULJ-UHFFFAOYSA-N 461.721 2.253 10 40 JECB Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=CSC5=NC4=O)cc3)nc2s1 33248228 RINVHQFYKVPLHF-VZYUQBCLSA-N 451.493 2.287 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)nc3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 648887 JGGZYCRBYUTMDD-WVWKGNOCSA-N 479.606 2.389 10 40 JECB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 225501623 YUAHGHNMFDZLPF-UHFFFAOYSA-N 486.638 2.164 10 40 JECB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccn(CC)n4)c(=O)n32)cc1 2786908 LVNROZZXKIGNIS-QDUHJBTASA-N 479.606 2.471 10 40 JECB COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19222031 HLTZSYHESBUCLD-XMMPIXPASA-N 489.580 2.390 10 40 JECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22734965 YEWKSBAQEABUHK-XMMPIXPASA-N 495.624 2.130 10 40 JECB Cc1ccc(S(=O)(=O)c2nc(/C=C3\SC(=S)N(C)C3=O)oc2N2CCOCC2)cc1 13712488 IYNXEIQERNLJQA-KAMYIIQDSA-N 465.578 2.483 10 40 JECB COc1ccc(N2CCN([C@H]3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)CC2)cc1 19848969 UIQLPQULNKHRDJ-QHCPKHFHSA-N 462.550 2.272 10 40 JECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 408896212 QIYVEFFSVLKNQI-UHFFFAOYSA-N 452.897 2.031 10 40 JECB COc1ccc(CN2C(=O)[C@@H]3[C@H](Cc4ccc(O)c(O)c4)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15959449 LDFXBRDZTOCKRE-BMEWAZJXSA-N 499.523 2.270 10 40 JECB biogenic COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 20211442 VLKAPIUEODJGFM-RFCLUPQTSA-N 474.480 2.015 10 40 JECB COCCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409204038 BYTJBIALMGUHQN-UYRXBGFRSA-N 452.511 2.198 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1O 409390655 GKAOTPYLELUPSR-KPKJPENVSA-N 479.230 2.457 10 40 JECB CSCC[C@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 8964372 KKHQMUOUNGXXQT-KGYLXKDPSA-N 456.520 2.120 10 40 JECB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)c1 409249219 JUOJYQUPZBNHOF-KGENOOAVSA-N 479.558 2.372 10 40 JECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCOCC3)ccc21 21887056 IAZKBGGQNPTRRI-QFIPXVFZSA-N 458.509 2.475 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 22735095 WOBJIGBRKCHSNQ-XMMPIXPASA-N 495.624 2.130 10 40 JECB CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)N[C@@H]2NCC[C@H](C)N2)cc1)C(=O)Nc1ccccc1C 104123888 WSRFWMXSXPJDBD-QJULHMBQSA-N 472.571 2.208 10 40 JECB COc1ccc(N2CCN(C(=O)CC[C@@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)cc1 2966812 PCQWRSINGFOVDL-FQEVSTJZSA-N 463.563 2.492 10 40 JECB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCN(C)CC4)cc3)C2)cc1 260910123 WVCNSGZNFTZNJK-QFIPXVFZSA-N 470.639 2.464 10 40 JECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21 13007954 FISYUKBCFNAIGO-JOCHJYFZSA-N 464.566 2.367 10 40 JECB COCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 27016496 QEGNLOFZSZBXLJ-VOSWBJTRSA-N 474.608 2.464 10 40 JECB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(N)=O 34866571 XIUIEDMCGWJXCK-BOPFTXTBSA-N 457.533 2.496 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733924 PRPAFLFLKUDRQA-JOCHJYFZSA-N 452.555 2.124 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(N)=O 409219883 WEVXWMDWAHIEGJ-VGOFMYFVSA-N 461.833 2.408 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCC1 16022057 OKOCAXPIBDFVIT-CCIIEHSASA-N 465.481 2.143 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1OC 19817968 MFPKJXBDDQTXDZ-FGZHOGPDSA-N 466.538 2.232 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=O)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 2091323 XXYOYPCHRJQHRH-IDKBZEPQSA-N 498.923 2.363 10 40 JECB COc1ccc(CN2CCN(C(=O)/C=C/C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 58081194 DSERGMQQAKVQAV-VAWYXSNFSA-N 478.593 2.253 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)[C@H](C(=O)N(C)C)C2)cc1 257331946 XUZMVAXXBCQZGB-NRFANRHFSA-N 454.575 2.224 10 40 JECB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cc1 12558370 DBZQJYCVTSNQOR-SANMLTNESA-N 462.550 2.300 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 28210128 QBPNEGWWZZIGKQ-OAQYLSRUSA-N 487.578 2.041 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O 2448002 LTHPARAGBNYZON-UMEYKSNOSA-N 492.488 2.026 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2383683 ATGGLPAUTPUMTD-ITICKHJUSA-N 462.462 2.017 10 40 JECB COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 113967265 MXBVTVVRAMWCCP-UHFFFAOYSA-N 461.584 2.394 10 40 JECB COCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 8779050 HJWNBTFZVHNVSF-HNDQUVLASA-N 460.581 2.441 10 40 JECB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838395 MSRYKHRTUUFWEZ-DEOSSOPVSA-N 450.583 2.183 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(N)=O)c3)C2=O)cc1OCC 409218584 GJVMHPOQLRAXNQ-PDGQHHTCSA-N 467.478 2.405 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc(N(C)C)cc2)CC1 22809562 HNCXXVBFIQHNOL-JOCHJYFZSA-N 458.006 2.127 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(N)=O 409223686 GZSCVLAAEOWYPV-MKMNVTDBSA-N 488.840 2.177 10 40 JECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@H](C)C(=O)OC)C2=O)o1 34888356 TZRZKRNTOXJWCV-OMJMQIJPSA-N 471.466 2.165 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 8771471 HFOUKGOEUXHDPB-PCEHLNCXSA-N 474.608 2.464 10 40 JECB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)Nc3cccc(Cl)c3)CC2)cc1 9060919 ROGLRDDDGGZBAP-OAQYLSRUSA-N 485.972 2.420 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCCN3C)CC1 22735139 BVOFNVLIOWXZKM-QHCPKHFHSA-N 471.552 2.391 10 40 JECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(C)CC3)C2=O)c1 408536272 VQHWOHJPOMGJJS-DTQAZKPQSA-N 489.536 2.216 10 40 JECB COc1ccc(N2CCN(CCCNC(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 9519944 RQYFCGUPUCNTNZ-HXUWFJFHSA-N 451.571 2.312 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 2393766 PYDQFXQMVZWLJO-QCUIPMNBSA-N 462.462 2.017 10 40 JECB COc1cccc([C@@H]2N[C@](Cc3c[nH]cn3)(C(=O)O)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1O 103003877 ZXWDWYSITBIUGA-YDLHNXBPSA-N 496.907 2.294 10 40 JECB CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 225514197 SQJWBKZSPTUIOO-OAQYLSRUSA-N 456.612 2.156 10 40 JECB COCCCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C(C(=O)OC)=C1C 409020923 VVDIUSKMRMHEMX-XSFVSMFZSA-N 481.505 2.244 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1 9012560 UTTCACZQVFSLIC-UHFFFAOYSA-N 494.983 2.471 10 40 JECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@@H](C)C(=O)OC)C2=O)o1 34888354 TZRZKRNTOXJWCV-NWRYFCBHSA-N 471.466 2.165 10 40 JECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1I 13915653 XIBOXETWKZOAOV-UHFFFAOYSA-N 465.041 2.202 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1 20674872 NFWFGTKTMDDEAH-GOTSBHOMSA-N 496.564 2.328 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(Cc5ccccc5Cl)c(=O)n4C)n3C)CC2)cc1 10386271 BZXRBCNFFMRSDA-UHFFFAOYSA-N 494.983 2.471 10 40 JECB CN(C)c1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1Br 41084472 HQXBZNCQXWLFFZ-HBDSZSESSA-N 463.361 2.424 10 40 JECB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ccc(OC)cc2)CC1)C(=O)O 61721941 RPANICXRSQQMIA-HNNXBMFYSA-N 461.540 2.395 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)cc1 408536339 WDXLPVAHKJVZET-VKAVYKQESA-N 474.521 2.364 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(C)c4)C1=O)N(C)CC3)OCO2 20113151 RNPSCOMLSIOKDR-UWKDKTGGSA-N 478.505 2.018 10 40 JECB biogenic Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)cc1 409024795 WWITYVFCELBITP-LDADJPATSA-N 465.466 2.271 10 40 JECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409246051 DEFSFMUTWAKVQU-CPNJWEJPSA-N 469.881 2.244 10 40 JECB COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(OC)c(OC)cc3C)CC2)cc1 32937314 CBHKKSBGRWSYLM-UHFFFAOYSA-N 470.570 2.288 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)OC 408956099 WAVBVJJLDZXLFH-OVCLIPMQSA-N 468.418 2.032 10 40 JECB Nc1c(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 22239655 HBYXXUGJZXDERY-MRXNPFEDSA-N 467.551 2.471 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1OCC 409226588 VBWTWKJQTVPBOW-LDADJPATSA-N 467.478 2.405 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CCSC)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 103002185 QLAXUAXBXIZJAY-UAKAABGRSA-N 486.546 2.436 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735038 BGTXMQYXKCHNGY-DEOSSOPVSA-N 479.625 2.429 10 40 JECB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1 20205723 RPCKVJVXPYHZPS-HJDDMPKESA-N 458.477 2.354 10 40 JECB COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 409142098 QVWCRQKGYGXMEH-UHFFFAOYSA-N 468.373 2.085 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NCCOCCO)nc12 2327765 RYLMJOYSPRLRKN-WJDWOHSUSA-N 462.597 2.281 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)CC2)cc1 26117376 HFIIFLGCSZDPHK-UHFFFAOYSA-N 491.635 2.400 10 40 JECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCOCC3)ccc21 21887049 FRBVGGOVUWVIBI-JOCHJYFZSA-N 458.509 2.475 10 40 JECB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1 225496502 YZUAEIKQZAFCRA-UHFFFAOYSA-N 473.595 2.249 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@@H]4C(N)=O)c4ccccc34)[C@@H]21 1565524935 YMIABTANCDTRMG-PXDATVDWSA-N 457.534 2.265 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(NCCCO)nc12 2336018 AYGSOZRWVLRZGX-VQCBNXJZSA-N 460.581 2.177 10 40 JECB Cc1cc(C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 32778327 WRPAZTNHWROYIN-UHFFFAOYSA-N 485.509 2.337 10 40 JECB COc1ccccc1N1C(=O)NC(=O)/C(=C\NN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)C1=O 408527386 DKOOBMZAUCIHCB-SFQUDFHCSA-N 482.452 2.215 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCN4CCOCC4)c4ccccc34)[C@@H]21 1616044642 MPBYVEAVPZDIKD-AREMUKBSSA-N 473.577 2.237 10 40 JECB CCOc1cc([C@@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)ccc1O 67285732 JLGPESBTBJMVCT-DEOSSOPVSA-N 496.564 2.403 10 40 JECB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)s2)cc1 224121442 USKCIKMBVAVXNF-UHFFFAOYSA-N 486.623 2.329 10 40 JECB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 224566428 UCGDXRDZPXPFRZ-UHFFFAOYSA-N 462.641 2.097 10 40 JECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCOCC3)ccc21 21887023 KOFWDUWYLXMMQY-QHCPKHFHSA-N 454.546 2.014 10 40 JECB O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O 21992198 ZJONSYFOVDKINV-UTKZUKDTSA-N 458.375 2.233 10 40 JECB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 10113445 YBFOUWQPCVBBPA-UHFFFAOYSA-N 475.567 2.115 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2293596 MCUCPLBNWJWZGL-QINSGFPZSA-N 462.622 2.404 10 40 JECB O=C1c2cc(Oc3ccccc3)c(S(=O)(=O)O)c(S(=O)(=O)O)c2C(=O)c2c(O)ccc(O)c21 4900833 LKLFWGBYSBTYOF-UHFFFAOYSA-N 492.439 2.159 10 40 JECB COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 408692033 BTLGMEYRGOFNEJ-NTUHNPAUSA-N 481.299 2.414 10 40 JECB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccco1 15934959 XGRLRSQTHCDOKH-GDGARQCUSA-N 474.476 2.129 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)O 409048704 UREYPWQFYWKFTI-AWNIVKPZSA-N 491.250 2.293 10 40 JECB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2369756 FDAJGGAAYXJVGT-OPCAMPFDSA-N 471.608 2.396 10 40 JECB CN1CCN(c2ccc(CNC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 223789761 HMXOIEVJTZJHMU-UHFFFAOYSA-N 462.591 2.440 10 40 JECB CN(C)c1cc2c(cc1N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n2C 408533004 NTICSTLUYYIZSZ-KAMYIIQDSA-N 468.901 2.175 10 40 JECB CC1=NN(c2ccccc2)C(=O)/C1=C/NCC(O)CN/C=C1/C(=O)N(c2ccccc2)N=C1C 102915140 WGHZFMDWESIPLG-QAOSGDJLSA-N 458.522 2.140 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(NC[C@H](O)c3ccccc3)nc12 1880159 RQXGDKVVTJMJNG-IUPCOXQMSA-N 496.570 2.434 10 40 JECB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13633371 BOBWPZSFUZHTSU-UHFFFAOYSA-N 461.584 2.453 10 40 JECB COc1ccc(-c2cc3nn(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)c(=O)n3c(C)n2)cc1 67226612 MSYNISYGZHNQLX-UHFFFAOYSA-N 488.548 2.232 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(Cl)cc3)CC2)cc1 12651985 YORRMHUPDIGGRG-UHFFFAOYSA-N 494.983 2.471 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN3C(=O)CSC3=S)C2=O)cc1 13590085 HQHIRAYPBJPVEH-JYRVWZFOSA-N 468.603 2.300 10 40 JECB Cc1c(N/C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 18067483 DXLQTHACOHGJPK-LDADJPATSA-N 465.510 2.363 10 40 JECB CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 33724322 CMOWGOYQCVXMST-WZMONFQBSA-N 478.621 2.295 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccn(S(=O)(=O)c4ccccc4)c3)CC2)cc1 13585798 JFTINBXYQVVWDI-UHFFFAOYSA-N 461.565 2.245 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c(OCC)c1 408963889 PWNXTYLKOSTOTF-GZTJUZNOSA-N 453.451 2.015 10 40 JECB O=C(O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N=C2O)cc1Br 27522740 MTKHNEQEEUQFSI-UHFFFAOYSA-N 464.091 2.430 10 40 JECB C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223345371 HBTADEVKJYDCSN-MRXNPFEDSA-N 466.554 2.188 10 40 JECB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 408625338 SBXYVNAOBFTXGV-SFHVURJKSA-N 461.584 2.418 10 40 JECB CCOc1cccc([C@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O 9968589 MXGAIUNQEBMILM-MAUQACMESA-N 490.516 2.026 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 102608342 ATGGLPAUTPUMTD-MTGKDYNDSA-N 462.462 2.222 10 40 JECB CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 8858039 VNSJMNKYJJXYEV-ICFOKQHNSA-N 473.624 2.074 10 40 JECB CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 9282709 IZQQXHGHOWQDNH-GOIUDQGLSA-N 454.556 2.401 10 40 JECB Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 11495047 QUPHXRYNOSAKSK-UHFFFAOYSA-N 456.553 2.393 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 8771467 HFOUKGOEUXHDPB-SCUCTCNRSA-N 474.608 2.464 10 40 JECB COc1ccccc1N1C(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S 100799774 HOMXDMNWLZJXOW-DTQAZKPQSA-N 463.519 2.237 10 40 JECB Cc1c(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C 101087120 OVVBPQTWTIHWFQ-QINSGFPZSA-N 451.483 2.367 10 40 JECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 12516945 BCBXJHGUXQACCS-KDYSTLNUSA-N 492.576 2.490 10 40 JECB COc1ccc(N2CCN(CCCN[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 15303929 FTNZSDUJOFENPD-QHCPKHFHSA-N 452.555 2.138 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(Cc2ccccc2)C1=O 2366761 HQBXNMRXJUFSME-ITICKHJUSA-N 462.531 2.169 10 40 JECB COc1ccc(N2CCN(C(=O)COC(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)cc1 3476445 YSTZZYBTABVIRD-HXUWFJFHSA-N 455.536 2.390 10 40 JECB CCCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20150124 WYQNYFPBFKVSIT-VLGSPTGOSA-N 487.651 2.200 10 40 JECB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 101114388 BUYJHNHMLPCOMK-LDADJPATSA-N 479.356 2.438 10 40 JECB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(C)C(C)=C3C(=O)OC)o2)cc1 408909569 VHEOVGZRIGEJHJ-XDHOZWIPSA-N 495.488 2.014 10 40 JECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OS(=O)(=O)c1ccc(Cl)cc1 2142508 YNBQUKLRLORFRX-UHFFFAOYSA-N 452.897 2.031 10 40 JECB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1 225832404 AIRBIDVICHZAMR-UHFFFAOYSA-N 473.580 2.414 10 40 JECB CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(CCc3ccccc3)C1=O)n(C)c(=O)n2C 408526616 BSVLFRFWUUJEPB-FBMGVBCBSA-N 490.564 2.340 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2392406 NRJCWSNIFQXTOM-WPNIOXTASA-N 450.426 2.148 10 40 JECB CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504423 CBCDYICNUNKFEQ-UNMCSNQZSA-N 465.558 2.059 10 40 JECB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408532384 MNADJNXAHHMEFW-UHFFFAOYSA-N 458.496 2.151 10 40 JECB Nc1nc(SCC(=O)O)nc(N)c1/N=N/c1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1 4822785 APWUHHYTMQCAJM-OCOZRVBESA-N 487.523 2.352 10 40 JECB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 23080591 XQWKJDMTJBRSHY-OAQYLSRUSA-N 462.616 2.037 10 40 JECB NC(=O)C1CCN(CC(=O)N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 100431475 IGDKJPUJYWHUIB-JXAWBTAJSA-N 488.573 2.245 10 40 JECB CC1=NN(C(=O)c2ccccn2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104237427 VOQYZWTZCQQUPX-OIUDPUMTSA-N 464.467 2.183 10 40 JECB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O 409268172 RARWPFZCUGSLNF-ZSOIEALJSA-N 459.911 2.434 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NCCOCCO)nc12 9319661 TZKNUUYKIYUZOI-ATVHPVEESA-N 486.575 2.418 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22734220 PUVBCOCWXCUQJX-HSZRJFAPSA-N 470.017 2.053 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(CCO)CC3)nc12 20082429 SVJOTWQPMGNRQJ-CYVLTUHYSA-N 499.662 2.261 10 40 JECB COC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33719163 QSISJWGTOGSFKB-QPEQYQDCSA-N 476.239 2.371 10 40 JECB COc1c(C=C2C(=O)NC(=O)NC2=O)c(CCN(C)C(=O)c2ccccc2Cl)cc2c1OCO2 12660624 MRHUFRUCYKPMIM-UHFFFAOYSA-N 485.880 2.141 10 40 JECB biogenic COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 19361816 ULRBNGIMRKCHGI-ZFOVBUMHSA-N 486.594 2.002 10 40 JECB biogenic CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1 408636005 OLURCSDYRKADHM-UHFFFAOYSA-N 461.584 2.420 10 40 JECB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21 408534500 VTOJRNKJYSWPHW-XFXZXTDPSA-N 470.829 2.017 10 40 JECB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/[C@@H]2C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8820699 ORLYRMAILAYKEE-MAPNBPQOSA-N 466.562 2.152 10 40 JECB Cc1cc(C(=O)CN2CCN(c3ccccc3O)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13041039 ITTBHBRZSXLRBK-UHFFFAOYSA-N 468.579 2.452 10 40 JECB CN1C(=O)C(=Cc2cc(Br)c(I)o2)C(=O)N(C)C1=S 408952725 MILRNFHTGKPUSX-UHFFFAOYSA-N 455.071 2.245 10 40 JECB CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CC)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1 8870433 KIHDOHVZKHZVDC-CQSZACIVSA-N 488.506 2.376 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1 20674866 NFWFGTKTMDDEAH-XZOQPEGZSA-N 496.564 2.328 10 40 JECB COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 254416161 YTPWHERXRHYSNC-QFIPXVFZSA-N 491.569 2.261 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CCc1ccccc1 15959874 OEZYXBVSAMHHLR-IGGVYQGESA-N 483.524 2.304 10 40 JECB biogenic Cc1cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16695252 WDQAAFASAAFYJL-SFTDATJTSA-N 474.579 2.446 10 40 JECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104204026 KBLWUZOOAKHEOO-BGQJIPHFSA-N 464.467 2.183 10 40 JECB CCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nnc12 35528458 JOJJBPKWIZGHEA-UHFFFAOYSA-N 466.567 2.416 10 40 JECB COc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccc(N(C)C)cc3)c(=O)c2cc1OC 38651943 CRDQUPXUCZGIBX-UHFFFAOYSA-N 454.527 2.260 10 40 JECB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1 13714022 VYVGJTCTSZCQKK-MEFZMRIGSA-N 492.648 2.459 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1 16034081 OYWBHZFPCVDCEA-KKBCGBJISA-N 487.487 2.400 10 40 JECB Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16022135 ZLTOLWCUPRACIL-AHQSTGFLSA-N 461.518 2.312 10 40 JECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C2=O)c1 19996329 LHEDFDXEKXFXGB-HMMYKYKNSA-N 464.522 2.425 10 40 JECB COCCN1C(=O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C(C(=O)OC)=C1C 409184045 DWRMNQMQBBNLBM-MOSHPQCFSA-N 481.505 2.162 10 40 JECB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409220520 AYQZQFPIXAWAKO-XDHOZWIPSA-N 469.881 2.244 10 40 JECB CCCCN1C(=O)/C(=C\Nc2ccc(S(N)(=O)=O)cc2)C(=O)N(CCc2ccccc2)C1=O 8431326 FDIYMVIGQZJSHB-CAPFRKAQSA-N 470.551 2.463 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NN3C(=O)CSC3=S)C2=O)cc1 13590087 UBPSDTKXIZWUIQ-WQLSENKSSA-N 453.592 2.178 10 40 JECB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 106757972 VNCWRHLZVJZICI-AQTBWJFISA-N 460.512 2.480 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734986 DDBNHAAOSKHCMT-DEOSSOPVSA-N 465.598 2.121 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(=O)n(C)c(=O)c4c3c(-c3ccccc3)cn4C)CC2)cc1 67235380 ZPHYFGPCTZLUON-UHFFFAOYSA-N 487.560 2.063 10 40 JECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 12640167 AMZCJGATXGXGOE-SANMLTNESA-N 464.566 2.425 10 40 JECB COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13504290 FURTUDCTFCWMGR-QHCPKHFHSA-N 468.558 2.257 10 40 JECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N21 15934962 KVYQWKIWVRHNNI-GQECEEOXSA-N 490.544 2.076 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCN3C)CC1 22734348 HEXCJISGDKDICX-XMMPIXPASA-N 453.631 2.090 10 40 JECB Cn1c(=O)c(C2=NNC(=O)/C2=C2\C(=O)Nc3cc(Br)ccc32)c(O)c2ccccc21 100260822 WHMWRUHDCUHFPJ-PFONDFGASA-N 465.263 2.246 10 40 JECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCOCC3)ccc21 22733880 XQTOBTSRWNVTGG-QFIPXVFZSA-N 456.974 2.138 10 40 JECB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1 409243408 YKPOELCNWNNITP-KGENOOAVSA-N 463.490 2.207 10 40 JECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409072111 BHIZFEJFLMAOTB-UHFFFAOYSA-N 466.924 2.421 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CCc1ccccc1 15959872 OEZYXBVSAMHHLR-PKVHRPSESA-N 483.524 2.304 10 40 JECB biogenic COc1ccc(N2CCN(C(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)CC2)cc1 408704300 LMXRIJOYKOABEL-UHFFFAOYSA-N 475.567 2.319 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccnn3CC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2788135 KZGZCCAITCUIJL-CKNGIZQFSA-N 465.579 2.081 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)cc1 56918676 LGQLYPINZZLGTL-UHFFFAOYSA-N 494.983 2.456 10 40 JECB COc1cc(CN/C=C2/C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc(OC)c1 101089960 QEOPRWTYVRQTTC-RGEXLXHISA-N 469.494 2.016 10 40 JECB C[C@H]1CN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 16676955 UWJYCWOQQVNIPQ-CALCHBBNSA-N 484.574 2.499 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC 22735218 SZEZPVVJEFHFSB-HSZRJFAPSA-N 495.624 2.130 10 40 JECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 95108960 XOSGGNAIFGQRDG-QJOMJCCJSA-N 494.527 2.317 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc([N+](=O)[O-])c1O 96617453 LBRIGZZUTRZKDL-SDQBBNPISA-N 481.202 2.375 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C/[C@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)C2=O)cc1C 408855100 BYEZPDPYOLZVPB-LOHYDARVSA-N 490.541 2.494 10 40 JECB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(C(C)C)C4=O)[C@H]3C2)cc1 9430398 KPUCPTUDQNDECI-BWKNWUBXSA-N 493.520 2.328 10 40 JECB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735273 KAKPYVDJQGFIFF-HSZRJFAPSA-N 465.598 2.121 10 40 JECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735331 ZMYQWNBUCFQBDU-RUZDIDTESA-N 492.624 2.071 10 40 JECB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1 22735761 FOVFLCXTBIENCA-QHCPKHFHSA-N 472.611 2.298 10 40 JECB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504254 BNCRFESBKUHJSG-QHCPKHFHSA-N 451.575 2.306 10 40 JECB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccco3)c3ccco3)CC2)cc1 56946178 SWTBIPMGDFJWKZ-OAQYLSRUSA-N 452.511 2.177 10 40 JECB CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 77303624 NUCMFNFBECGZSA-VOFPXKNKSA-N 489.437 2.311 10 40 JECB in-vitro Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)cc1 409246746 AWNLKZJHHHGDSL-XSFVSMFZSA-N 465.531 2.064 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 19361088 ULRBNGIMRKCHGI-NIFLVVHWSA-N 486.594 2.002 10 40 JECB biogenic Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2315461 OAHJWRIYYNGWOP-JIHKLPAASA-N 485.635 2.135 10 40 JECB CCOc1c(OC)cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 8860770 GWQDVYCXOMRCAG-SXGWCWSVSA-N 460.468 2.456 10 40 JECB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734513 DWSDJEIKDFWHLS-JOCHJYFZSA-N 486.016 2.384 10 40 JECB COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C(=O)OC)c1C 953552 SIBJVBRFBVDBBU-UHFFFAOYSA-N 468.553 2.149 10 40 JECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 9259939 ZEJOGDWSTOPGDV-ZHZULCJRSA-N 458.474 2.167 10 40 JECB CO[C@@H](C)NC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643589685 ZHPYMPOWKGUMNK-NRFANRHFSA-N 483.609 2.434 10 40 JECB NC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c2ccccc21 16805670 KQESRAFXTKIQAN-ZCXUNETKSA-N 453.501 2.019 10 40 JECB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735276 KAKPYVDJQGFIFF-QHCPKHFHSA-N 465.598 2.121 10 40 JECB CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccccc2)N3C)cc1 22920942 HRNAEOUEYGGOFQ-GSLIJJQTSA-N 463.626 2.222 10 40 JECB biogenic,in-vitro CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 408527326 DIHKLULRWIMPNT-QINSGFPZSA-N 495.927 2.253 10 40 JECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1I 408692203 GYQXQIUGKLASOX-KPKJPENVSA-N 484.246 2.159 10 40 JECB COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CS[C@H](C(=O)O)C3)C2=O)cc1 2301185 YBAXASPNRTWIPV-MQJVFOOVSA-N 466.562 2.051 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)N=C(S)N(Cc4ccccc4)C1=O)N(C)CC3)OCO2 104130515 ZJTGPMQFTPEPJV-ZKTNYTPDSA-N 494.573 2.281 10 40 JECB CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 22735577 VOTVHIHPNSXZTE-HSZRJFAPSA-N 486.638 2.107 10 40 JECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCOCC2)C1=O 408536286 VTMZCQLWUKQXHZ-FYWRMAATSA-N 476.493 2.246 10 40 JECB COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)cc1 9963558 WLNJOLDAWKMQAP-UHFFFAOYSA-N 483.912 2.164 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 20329339 ODWWUPNNXNIDOE-DQYQWZCESA-N 460.490 2.047 10 40 JECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=O)c2ccccc2)CC1 100105630 CXXFPNWTAIRYNF-OQKWZONESA-N 462.510 2.249 10 40 JECB COc1ccc(N2CCN(C(=O)CCCc3nnc4n(C)c(=O)c5sccc5n34)CC2)cc1 9673567 YLPOFFUGEURXIU-UHFFFAOYSA-N 466.567 2.323 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(CCc2ccccc2)C1=O 102611098 ODWWUPNNXNIDOE-OHUBLEDJSA-N 460.490 2.251 10 40 JECB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21 408529088 IHASLHJQSLWKAM-XFXZXTDPSA-N 470.829 2.017 10 40 JECB O=C(Cn1nnc2ccccc21)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 95927140 NIMDAEZINDDWHD-ZDLGFXPLSA-N 467.532 2.178 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)NC3=C(C(=O)OCC)[C@@H]4CCC[C@H]4S3)nnc2n1 16689850 PHICKQQHEHMNGK-VXGBXAGGSA-N 492.631 2.281 10 40 JECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O 33721243 XIEGAVAXRPQOHJ-ZSOIEALJSA-N 460.284 2.173 10 40 JECB O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225486599 RSJDMFSNFGCHBK-UHFFFAOYSA-N 461.559 2.379 10 40 JECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409066869 CWSQCBSUQULQEQ-UHFFFAOYSA-N 467.322 2.131 10 40 JECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409070261 YNWQWWNJKXWTPI-UHFFFAOYSA-N 452.897 2.031 10 40 JECB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1 408764793 VKSFRQLGIHXLEE-UHFFFAOYSA-N 465.281 2.275 10 40 JECB CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 6878850 RFQUTIGBGNGVPM-MMZVIXLHSA-N 473.395 2.184 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3C)CC2)cc1 57010844 OJAAJCMUGDHPCL-UHFFFAOYSA-N 488.592 2.121 10 40 JECB CCCCCCN1C(=O)NC(=O)/C(=C\NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 100750930 NUISROJODGIQFP-NWNNTGRJSA-N 472.542 2.085 10 40 JECB biogenic CC1=NN(C(=O)c2ccccn2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104237423 VOQYZWTZCQQUPX-BGQJIPHFSA-N 464.467 2.183 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccc(C(C)C)cc3)CC2)cc1 17113676 XZMDPOJXQMYCPO-UHFFFAOYSA-N 475.611 2.466 10 40 JECB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 10113360 MHSLXTJQRVFWPK-SFHVURJKSA-N 461.584 2.393 10 40 JECB CCn1c(=O)c(C2=NNC(=O)/C2=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c2ccccc21 101647295 HJUVHLQJJKWBKS-JXAWBTAJSA-N 484.516 2.355 10 40 JECB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2337251 VIRAIWCERBYAEB-QXPQOBGOSA-N 462.597 2.423 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 1467008 YTPWHERXRHYSNC-FBHQFGEZSA-N 491.569 2.261 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2354781 KAJALAHPEPDUDV-SDXDJHTJSA-N 487.651 2.383 10 40 JECB O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 8739028 GALYJPPNPKCQON-SSZFMOIBSA-N 460.581 2.259 10 40 JECB O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 16754598 WTGXMMULVGYTOZ-IUPCOXQMSA-N 467.528 2.360 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1F 23080605 WTOWCTMBQWUTQF-NRFANRHFSA-N 450.580 2.167 10 40 JECB COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OCC(=O)Nc1ccc(F)cc1 408904299 HQBOBXFENOSFCV-UHFFFAOYSA-N 457.483 2.451 10 40 JECB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccc(Cl)cc21 20039088 PSYQVHQDUDXYKY-FQEVSTJZSA-N 465.959 2.020 10 40 JECB Cn1c(=O)n(C)c2cc(N3CCCC3)c(N/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc21 408529149 HBQYSZDCLCSIEF-FBMGVBCBSA-N 488.548 2.094 10 40 JECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O 409270570 QYNOUDPKJPBMQT-QPEQYQDCSA-N 490.335 2.153 10 40 JECB CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(CC)C2=O)cc1OC 409391201 HUCVWMCJBSDBBD-POHAHGRESA-N 460.293 2.345 10 40 JECB O=S(=O)(c1ccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)nc1)N1CCOCC1 14267701 REQKRJXIMFUMEF-UHFFFAOYSA-N 468.579 2.284 10 40 JECB CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 15057252 AVWXSLRCKKIOBA-BOPFTXTBSA-N 476.605 2.240 10 40 JECB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Cl)cc3)C[C@H]2C(=O)O)SC1=S 256055380 DURLBDOPWTVBNY-IAOKNECISA-N 453.929 2.468 10 40 JECB COc1ccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)[C@H](C(=O)N(C)C)C2)cc1 257302736 SECQMONQUIVOSE-QFIPXVFZSA-N 466.586 2.203 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(NCCCO)nc3ccc(C)cn3c2=O)SC1=S 8834831 IPMWWXVYIBGQNV-VBKFSLOCSA-N 462.597 2.425 10 40 JECB NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1 17150099 JFDJMLCOXWQSMX-PDGQHHTCSA-N 487.335 2.349 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccnn3CC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2788137 KZGZCCAITCUIJL-CURYZJDOSA-N 465.579 2.081 10 40 JECB CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504422 CBCDYICNUNKFEQ-RBBKRZOGSA-N 465.558 2.059 10 40 JECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408760831 AECZNLOZWYKYKZ-MFOYZWKCSA-N 477.476 2.478 10 40 JECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCOCC3)ccc21 21887045 PQUXWMXNSJXUCJ-JOCHJYFZSA-N 458.509 2.475 10 40 JECB CC1=NN(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 104219178 JLNYJNUKSALTHI-IUBFCHALSA-N 451.395 2.309 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 16032775 PBDRLXZCKKPBLM-MPWBWRNSSA-N 461.518 2.394 10 40 JECB biogenic COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)Nc2ccccc2C)c1C 40476929 OLIYJEVWKXMVRI-UHFFFAOYSA-N 458.521 2.231 10 40 JECB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 22928859 FCPBESNESIGAGX-DEOSSOPVSA-N 465.602 2.301 10 40 JECB COc1cc(OC)cc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 9064479 XLIZSKWZTWIOSJ-UHFFFAOYSA-N 460.512 2.458 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 8443053 BURZANHVOMPEDF-MOSHPQCFSA-N 465.506 2.011 10 40 JECB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)cc1 13959706 GZSLRTQDSCXHIR-IMEWXKHHSA-N 479.606 2.296 10 40 JECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409246555 CTFFQQSTVJJYFC-UNOMPAQXSA-N 454.458 2.202 10 40 JECB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 12557430 AYHNQRUBBGKWSY-OAQYLSRUSA-N 452.555 2.365 10 40 JECB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 409220330 WYTWDGITRQEXLO-NTUHNPAUSA-N 462.231 2.119 10 40 JECB CN(C)c1ccc([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 13638255 YHCUPKBXJPENHO-XMMPIXPASA-N 474.613 2.368 10 40 JECB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 16187634 RZTHKCAVCGIHPR-UHFFFAOYSA-N 467.975 2.327 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1O 409389969 DBPZSZCVFHMOTQ-IZZDOVSWSA-N 465.203 2.067 10 40 JECB COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1 41077714 MCGZSOCCRZUXBX-HJDDMPKESA-N 458.477 2.354 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc(I)c1OC 409391648 JBUFKFDHFSOMDG-UXBLZVDNSA-N 460.293 2.345 10 40 JECB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2451201 RFKQXAADXHUWCT-MHWRWJLKSA-N 463.562 2.183 10 40 JECB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735189 HOEGXLASZVRBGI-XMMPIXPASA-N 465.598 2.121 10 40 JECB CCCN1C(=O)/C(=C\NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C(=O)NC1=S 13145850 XUJLMYSZLGIFSE-AQTBWJFISA-N 458.565 2.282 10 40 JECB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 409008321 VUWNJWRIYKUUFL-UHFFFAOYSA-N 453.451 2.155 10 40 JECB CCOC(=O)[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33668712 LDZYPLAMTJZSCL-YDRQLGOLSA-N 455.423 2.395 10 40 JECB CCN1C(=O)C(=Cc2cn(CC(=O)NCCCOC)c3ccccc23)C(=O)N(CC)C1=S 96234410 DQDNKDVNASEQHB-UHFFFAOYSA-N 456.568 2.173 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cccc(F)c4F)C3)CC2)cc1 585285908 DUFCJUMJZDGKHY-DHLKQENFSA-N 478.536 2.181 10 40 JECB Cc1ccc2nc(NCCCO)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 8834829 SSESJDVKDRUCQO-FBKCMUNRSA-N 460.581 2.177 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)N=C(S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 104089477 ULRBNGIMRKCHGI-YTBHAWNYSA-N 486.594 2.414 10 40 JECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409221459 QQIDJTFWVZKTIL-MOSHPQCFSA-N 450.495 2.372 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@@H]4C(N)=O)c4ccccc34)[C@H]21 1565524934 YMIABTANCDTRMG-BWKNWUBXSA-N 457.534 2.265 10 40 JECB Cc1cc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16695251 WDQAAFASAAFYJL-NHCUHLMSSA-N 474.579 2.446 10 40 JECB C[C@@H]1CN(c2ccc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cc2F)C[C@@H](C)O1 108282704 IAPKUFZKRXPUIA-IAGOWNOFSA-N 467.549 2.410 10 40 JECB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 408625336 SBXYVNAOBFTXGV-GOSISDBHSA-N 461.584 2.418 10 40 JECB CN1CCN(c2ccc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 225096545 AXDCIQALEHUIOQ-UHFFFAOYSA-N 465.019 2.170 10 40 JECB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc1OCC 1097014 WDXJOVDXVXCCBY-WDZFZDKYSA-N 471.329 2.046 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 20113055 ANTPLNOCOIBJHL-ZKTNYTPDSA-N 478.505 2.018 10 40 JECB biogenic COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc(OC)c1O 9191668 WWZKMAKLFSFPOS-QNNYNMDTSA-N 457.512 2.431 10 40 JECB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2198772 NWEYXKGSLAWRRV-LFIBNONCSA-N 471.608 2.314 10 40 JECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 9318583 YCBDADFDHFNHEK-GHRIWEEISA-N 477.477 2.080 10 40 JECB O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2o1 95475176 DCKKVHCNLXXSHN-GOSISDBHSA-N 454.548 2.470 10 40 JECB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C/[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1Cl 408990289 WSTAQTOJNUKPFA-BAAYTWLHSA-N 482.905 2.222 10 40 JECB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)cc1 13959728 PKXDNNXWXISGIU-WVWKGNOCSA-N 479.606 2.296 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1Cc1ccccc1 16034017 BGFKFJZQPNMPCI-HGXGVQFASA-N 487.487 2.400 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 10232924 WZVNSDRDRQFFNZ-HNDQUVLASA-N 452.579 2.104 10 40 JECB CCCN1C(=O)/C(=C\Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C(=O)NC1=S 13145623 KYRAGWAWIMGRIH-OWBHPGMISA-N 471.004 2.464 10 40 JECB CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c1C 35677733 LJFOFUZRXQVZLL-WLJFKGHSSA-N 479.606 2.307 10 40 JECB COC(=O)Cn1c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc2c1=O 19355192 UCIYJZIKJOIPAN-UHFFFAOYSA-N 454.552 2.386 10 40 JECB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NCCCN1CCCCC1 20291181 POOXLLRNYKNUEP-DTQAZKPQSA-N 482.322 2.224 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22734504 MIPKVOFYRFGTNB-HSZRJFAPSA-N 470.017 2.053 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(OC)c1 22937856 IMZDLMDYGOUOPP-NRFANRHFSA-N 462.616 2.037 10 40 JECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 409162163 SFNNCSLTZYNOKC-KGENOOAVSA-N 472.501 2.162 10 40 JECB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 10301442 ACLYRNLRDCRVBV-UHFFFAOYSA-N 461.584 2.372 10 40 JECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O 12555214 LTZURHXIERGGEE-SJBKTWHCSA-N 462.616 2.043 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 2087775 HOTPAPZVWJPUEF-LPPOOGIUSA-N 498.923 2.363 10 40 JECB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5cc(O)cc(c45)C3=O)C2=O)cc1 408527642 DSUPVUVYDJNPOD-XDHOZWIPSA-N 486.440 2.212 10 40 JECB CCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2376147 FODFVFBGZWPVJG-SSZFMOIBSA-N 471.608 2.398 10 40 JECB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2818937 JKKLCWQFMQHSHY-YVLHZVERSA-N 463.537 2.341 10 40 JECB COc1ccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@](O)(COc4ccc(C)cc4)C3)CC2)cc1 585283111 PUSRSCJGXWTDNP-MUUNZHRXSA-N 497.636 2.309 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 408616837 BGDZAFZBTVGXHP-OAHLLOKOSA-N 467.975 2.373 10 40 JECB COc1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)ccc1OCC(N)=O 9188219 AHEVGNZENJEFIM-MOSHPQCFSA-N 470.526 2.491 10 40 JECB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1 409251249 UGOJIRXEBGOIGI-PILJQMSFSA-N 456.476 2.387 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CCc3ccccc3)CC2)cc1 57105662 RSYKGTVBQDQOPN-UHFFFAOYSA-N 488.592 2.007 10 40 JECB CCc1nnc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)s1 408536024 VGSBQYDTCKTJRW-JXMROGBWSA-N 450.318 3.059 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414631 BDGZHTFTFQLETJ-HSZRJFAPSA-N 466.538 2.307 10 40 JECB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)N1CCOCC1 12553108 LZUVPISCBATHIL-UHFFFAOYSA-N 483.565 2.042 10 40 JECB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)NC1=S 98086710 CKOCPQGKAYYPCL-RCCKNPSSSA-N 468.579 2.204 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2337854 IVTPAJJRGJJSSR-VKAVYKQESA-N 474.608 2.467 10 40 JECB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 16187630 RCKLWEHXIYNDAA-UHFFFAOYSA-N 467.975 2.327 10 40 JECB CCCCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010967 IJOUSOKXPSAZPX-UHFFFAOYSA-N 468.602 2.345 10 40 JECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408537225 ZLRHXUBCTSNFCF-KAMYIIQDSA-N 482.884 2.337 10 40 JECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1I 408692826 WHDTYCSYGMDXHJ-MDWZMJQESA-N 498.273 2.247 10 40 JECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 9972526 AEAIGENNBWIXFR-UHFFFAOYSA-N 455.492 2.026 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(C)cc4)C3)CC2)cc1 585282029 GBHPQJCBOZEMBO-AHWVRZQESA-N 456.583 2.212 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958675 IXPGAMUPYUVAMZ-KKBCGBJISA-N 469.497 2.261 10 40 JECB biogenic COCCn1c(C)cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1C 16957381 NPRDXMZXBLILMK-STZFKDTASA-N 459.568 2.289 10 40 JECB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 16187638 DYTRGXJGGFVHQW-UHFFFAOYSA-N 482.400 2.427 10 40 JECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCC3)ccc21 9135566 DAUVRUZMRXYWRV-QFIPXVFZSA-N 464.566 2.367 10 40 JECB COc1cc(N2C(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc(OC)c1OC 13801309 BXGFHJQQZRAMAB-LFIBNONCSA-N 470.507 2.415 10 40 JECB CCOc1cc([C@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)ccc1O 67285730 JLGPESBTBJMVCT-XMMPIXPASA-N 496.564 2.403 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 2398578 XMUJTSUSXWGJEM-ZPBCLNFZSA-N 462.531 2.482 10 40 JECB O=C1CSC(=O)N1CCN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 2707658 XATNORJPZLREBY-ZNSDBITHSA-N 487.584 2.267 10 40 JECB O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 9347997 UDFDCNJUEKECJH-VBKFSLOCSA-N 472.548 2.110 10 40 JECB Cn1c(=O)c(C2=NNC(=O)/C2=C2\C(=O)Nc3ccc(Br)cc32)c(O)c2ccccc21 100260842 GFJVFGFLGRWWEN-PFONDFGASA-N 465.263 2.246 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 408994335 YOIPRFJQUQNBKL-MHWRWJLKSA-N 456.476 2.389 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S 2359397 GUSFOIFAVSZIKA-ICFOKQHNSA-N 473.624 2.074 10 40 JECB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 16694719 CZUFACDKCKXWGL-UHFFFAOYSA-N 461.359 2.451 10 40 JECB Cc1cc(/C=C/C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 24573586 DBSFGRJMLCPUJV-FHOSRQNYSA-N 471.579 2.167 10 40 JECB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br 409378842 SHIIONISVKJHNW-UHFFFAOYSA-N 474.267 2.225 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 408529436 JPGLRCUIYOQYOH-HKWRFOASSA-N 484.534 2.449 10 40 JECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(I)c1 408904429 JHKXOBZAXQQOHT-VZUCSPMQSA-N 478.198 2.392 10 40 JECB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccn(CC)n4)c(=O)n32)cc1 2786906 LVNROZZXKIGNIS-GFCAVMEOSA-N 479.606 2.471 10 40 JECB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 1805217 IHYJZFHWNVPRCV-VQCBNXJZSA-N 462.597 2.423 10 40 JECB Cc1cc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 16695253 WDQAAFASAAFYJL-LEWJYISDSA-N 474.579 2.446 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(F)cc1 20674758 WABYOOLKUVCBPS-LEWJYISDSA-N 454.502 2.363 10 40 JECB CO[C@H](C)NC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643589686 ZHPYMPOWKGUMNK-OAQYLSRUSA-N 483.609 2.434 10 40 JECB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409235760 QJLNKPQLHLQNLV-MOSHPQCFSA-N 450.495 2.372 10 40 JECB COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 56925353 PRNSSLJBNFFDBF-HXUWFJFHSA-N 451.571 2.230 10 40 JECB CN(C)c1cc2c(cc1N/C=C1/C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)n(C)c(=O)n2C 408527734 GHWTZBGDFHGTSV-KAMYIIQDSA-N 468.901 2.175 10 40 JECB CCOc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCC(=O)N1CCOCC1 12532949 HUMVDBUQOAZGOT-UHFFFAOYSA-N 497.592 2.432 10 40 JECB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 15228157 DGZWSUZGKURVNN-PBGVMVHZSA-N 476.489 2.192 10 40 JECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1F 22734390 YYLAFLRRIRIPIM-HSZRJFAPSA-N 453.562 2.170 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1 408968470 ZDJJWLQJEYMGQK-FYJGNVAPSA-N 494.529 2.417 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3c(C)nn(Cc4ccccc4)c3C)[C@@H](C(N)=O)C2)cc1 257228946 FVYLBFCGDFWSQI-HSZRJFAPSA-N 476.581 2.171 10 40 JECB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc21 408534888 RPPSBOLHNPLALT-OUKQBFOZSA-N 494.464 2.338 10 40 JECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22734968 YEWKSBAQEABUHK-DEOSSOPVSA-N 495.624 2.130 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104076383 MZZICIIDVQYQOR-SNRMKQJTSA-N 461.430 2.005 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(C)c4)C1=O)N(C)CC3)OCO2 20113149 RNPSCOMLSIOKDR-PNDHZVEESA-N 478.505 2.018 10 40 JECB biogenic NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 2366955 IQJHMWDYJCGFCN-ATVHPVEESA-N 495.586 2.391 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 12779255 GWFKANFOYAURQC-UHVIJJLKSA-N 472.592 2.220 10 40 JECB CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)CC1 8858381 VOFXLYCWDKKHAB-SQFISAMPSA-N 473.580 2.194 10 40 JECB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 9220625 ACJQCNKSXJQANZ-UHFFFAOYSA-N 453.587 2.496 10 40 JECB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007325 IOTZIKMCRNMJTA-JOCHJYFZSA-N 452.555 2.206 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1Cc1ccccc1 16034020 BGFKFJZQPNMPCI-YRCDICCDSA-N 487.487 2.400 10 40 JECB CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22734301 RJHUCVMBKORYMY-QHCPKHFHSA-N 467.639 2.444 10 40 JECB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc3c(c2)CCCN3C)CC1 22735574 VOTVHIHPNSXZTE-QHCPKHFHSA-N 486.638 2.107 10 40 JECB COc1ccc(N2CCN(CCCN[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 105187996 FTNZSDUJOFENPD-HSZRJFAPSA-N 452.555 2.138 10 40 JECB C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 14810823 LBZPYQBEBGXBOS-AWEZNQCLSA-N 484.530 2.004 10 40 JECB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 1155131 WIOAXTRZCAPEGP-UHFFFAOYSA-N 457.483 2.451 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 22735463 ZOXCIDFNMBDDPH-QFIPXVFZSA-N 475.611 2.438 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1O 409247552 DFBIBJDDRXSADW-WUXMJOGZSA-N 479.230 2.457 10 40 JECB CCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S 2364062 KNQDNUVOVRTULE-VBKFSLOCSA-N 471.608 2.316 10 40 JECB Cc1ccc2nc(NCCCO)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 8834830 SSESJDVKDRUCQO-KWZJRMENSA-N 460.581 2.177 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1 22735136 JMCLZKFLXUZLRD-HSZRJFAPSA-N 471.552 2.391 10 40 JECB C[C@H](CCN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21)S(=O)(=O)O 79565016 LFURIYIBNYWXSS-FHGZOZNJSA-N 460.580 2.379 10 40 JECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCN(C)CC3)C2=O)c1C 408526139 AFGXKIUIWHTIPX-SSZFMOIBSA-N 489.536 2.216 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(N)=O)C2=O)cc1 409219365 LXFYZLAKDUODKW-MHWRWJLKSA-N 488.294 2.378 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(C)cc3)CC2)cc1 12651989 SGZMBOWPHYRDCT-UHFFFAOYSA-N 474.565 2.126 10 40 JECB COc1cccc([C@@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1O 15276767 ZXWDWYSITBIUGA-RAZUEPIFSA-N 496.907 2.294 10 40 JECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408764527 ULFVYHOLQNKRLZ-YVLHZVERSA-N 477.476 2.478 10 40 JECB COc1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c(OC)c1 9424671 BLCIRVYPZAKUMQ-DTQAZKPQSA-N 455.467 2.338 10 40 JECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2117011 VKRVWENEWDBMJQ-VZWMTCDZSA-N 463.537 2.339 10 40 JECB CCN(CCO)c1ccc(N/C=C2\C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 18159301 SAVJYQCJXUXDCM-NBVRZTHBSA-N 470.551 2.266 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(-c4ccccc4)nc(C)c(CCO)c3=O)CC2)cc1 67300325 VPHBYEMSXUHEAF-UHFFFAOYSA-N 462.550 2.111 10 40 JECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)c(Br)c1O 13894687 KHPCWRVFFRFLKB-ZZXKWVIFSA-N 450.108 2.182 10 40 JECB CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409063292 KCFKINRAUZKMLE-UHFFFAOYSA-N 497.533 2.373 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1 409054433 GAXCCPDGBFNTFG-VGOFMYFVSA-N 460.826 2.487 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 10232925 WZVNSDRDRQFFNZ-VQCBNXJZSA-N 452.579 2.104 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(F)cc1 20674764 WABYOOLKUVCBPS-SFTDATJTSA-N 454.502 2.363 10 40 JECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccccc1F 108214239 BOLVEIRRMYFPKV-UHFFFAOYSA-N 462.231 2.355 10 40 JECB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C2=O)c(C)cc1Br 408529834 KDLSBSQZEXMTPL-NTEUORMPSA-N 493.339 2.292 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 9974502 HQKIZEJYPFTRFQ-LJQANCHMSA-N 473.595 2.453 10 40 JECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)C1=O 408536463 WOEOXNDOBHOOQH-FYWRMAATSA-N 462.510 2.084 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 100782268 PRTQTVQIMFWNIS-RGEXLXHISA-N 461.478 2.462 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)cc4)C1=O)[N+](C)(C)CC3)OCO2 2106937 CCIUEOWXVQICAQ-LJQANCHMSA-O 493.540 2.162 10 40 JECB biogenic CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 2797336 ANVMNULOTKTXSU-UHFFFAOYSA-N 450.856 2.256 10 40 JECB COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 409328662 ZOWPXEDPSTXVFY-QCDXTXTGSA-N 476.326 2.295 10 40 JECB CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 9379669 XNKPMLCSYDSCQQ-VVZNPABPSA-N 485.635 2.217 10 40 JECB COc1ccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@](O)(COc4ccccc4)C3)CC2)cc1 585283641 STXUDMYSGVJKKN-MHZLTWQESA-N 483.609 2.001 10 40 JECB COc1ccc(N2CCN(CC(=O)N[C@@H](C)[C@@H](c3ccccc3)N3CCOCC3)CC2)cc1 12562264 OXTUARLEGKYGKP-LVXARBLLSA-N 452.599 2.395 10 40 JECB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2713249 QEAIRQATOKTVNI-VQCBNXJZSA-N 462.597 2.423 10 40 JECB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408869599 SPNTXOPZVNFPRR-STZFKDTASA-N 450.491 2.475 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22735622 LHZWJWWYCVHGQV-OAQYLSRUSA-N 461.584 2.048 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3cnc4nc(N5CCCCC5)sc4c3=O)CC2)cc1 67317046 QWDDBULAXALDAG-UHFFFAOYSA-N 468.583 2.201 10 40 JECB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 10037794 GEUQTCWRJOUCJM-BOPFTXTBSA-N 460.537 2.075 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 16032776 PBDRLXZCKKPBLM-AHQSTGFLSA-N 461.518 2.394 10 40 JECB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C\N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)C2=O)cc1 101036744 ZYJJPICZPZQJHL-CURYZJDOSA-N 476.489 2.407 10 40 JECB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br 107644524 FOUKICGNWABNIP-UHFFFAOYSA-N 490.335 2.390 10 40 JECB COc1c(/C=C2/C(=O)NC(=O)N=C2O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 8994657 PVSWCIQNCLYJJV-UHFFFAOYSA-N 451.435 2.328 10 40 JECB biogenic COc1ccc(N2CCN(C(=O)Cn3cnc4c(nnn4Cc4ccc(Cl)cc4)c3=O)CC2)cc1 40478009 LNHDCADTAXOEHH-UHFFFAOYSA-N 493.955 2.047 10 40 JECB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCC3(CC(=O)O)CCCCC3)C2=O)cc1OC 101441788 XVNFXMVXLIZGIS-VKAVYKQESA-N 473.526 2.223 10 40 JECB CCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2369070 YADKAYJEISMJBZ-QINSGFPZSA-N 457.581 2.007 10 40 JECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 13145780 ZEJOGDWSTOPGDV-XSFVSMFZSA-N 458.474 2.167 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1 57142726 UFBWNOBZZJWKCU-UHFFFAOYSA-N 488.592 2.387 10 40 JECB CCOc1cccc([C@@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O 102999860 MXGAIUNQEBMILM-LMMUWCHVSA-N 490.516 2.026 10 40 JECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1O 408850118 GGWGSKRRBMUJQM-NYYWCZLTSA-N 476.195 2.458 10 40 JECB CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 28297002 WJMKXRNWCWFKII-YHZJOHHESA-N 468.622 2.322 10 40 JECB COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115328 SUHOTZZYAPLJEF-LBPRGKRZSA-N 468.418 2.417 10 40 JECB biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 13689737 CXWIDYNRQNCSMT-SLVCOGOPSA-N 492.648 2.459 10 40 JECB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1)c1ccccc1 225698650 FQFCUGRGZYFORZ-UHFFFAOYSA-N 459.553 2.106 10 40 JECB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NCCCN1CCOCC1 33343064 XKTAASHQHVEQLB-FOWTUZBSSA-N 484.441 2.489 10 40 JECB COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19972833 DSDBYKYMMJVEKB-DEOSSOPVSA-N 489.580 2.390 10 40 JECB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)cc1 409238111 CCQPSYGJBCLKBM-RCCKNPSSSA-N 479.558 2.318 10 40 JECB CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 225540809 PIIIHASBIROARF-FQEVSTJZSA-N 474.602 2.295 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1 16034079 OYWBHZFPCVDCEA-HGXGVQFASA-N 487.487 2.400 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(C)cc4)C3)CC2)cc1 585283515 RMOYJENTDMOEGO-AREMUKBSSA-N 456.583 2.477 10 40 JECB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccco3)c3ccco3)CC2)cc1 56946176 SWTBIPMGDFJWKZ-NRFANRHFSA-N 452.511 2.177 10 40 JECB O=C(O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 35213075 YIZVKYAVQUTGBX-SDQBBNPISA-N 462.212 2.282 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 21887074 GJYAFLGYAVIORT-QFIPXVFZSA-N 482.581 2.214 10 40 JECB CCOc1cccc([C@@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1O 250515228 MXGAIUNQEBMILM-YRKFHGTDSA-N 490.516 2.026 10 40 JECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCC3)ccc21 9135565 DAUVRUZMRXYWRV-JOCHJYFZSA-N 464.566 2.367 10 40 JECB COc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C(C)C)cc1 32772594 VSQNQBKDFUVCDV-HSZRJFAPSA-N 475.611 2.493 10 40 JECB COc1ccc(N2CCN(C(=O)CC[C@H]3N=C(O)N(Cc4ccc5c(c4)OCO5)C3=O)CC2)cc1 36589946 YACDJUAQQIQLAS-HXUWFJFHSA-N 480.521 2.178 10 40 JECB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 44840631 XTVVFGHIXKTQIY-SFHVURJKSA-N 450.539 2.492 10 40 JECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408962970 WNKIINRNIMQUMS-XSFVSMFZSA-N 474.542 2.331 10 40 JECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735328 ZMYQWNBUCFQBDU-VWLOTQADSA-N 492.624 2.071 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=S)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 100790417 VLLPPKHLYWHYGZ-RLGUWMIQSA-N 494.573 2.183 10 40 JECB biogenic COc1ccc(N2CCN(C(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 8832688 DPIKFLFEVLIRQC-UHFFFAOYSA-N 490.538 2.466 10 40 JECB CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)N[C@@H]2NCC[C@H](C)N2)cc1)C(=O)Nc1ccccc1C 104123882 WSRFWMXSXPJDBD-CAKGQWHWSA-N 472.571 2.208 10 40 JECB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1 409045733 HMVNVNZCBZSOLN-UHFFFAOYSA-N 460.309 2.381 10 40 JECB COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)cc1 56925365 ORBZWKFHGHFYBF-LJQANCHMSA-N 455.534 2.061 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 22735148 HFTYPPVMWYEFAK-HSZRJFAPSA-N 453.562 2.252 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(c2cc(OC)ccc2OC)C1=O 102614977 LTHPARAGBNYZON-BLMOFCDVSA-N 492.488 2.230 10 40 JECB COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1 408922067 CYTHOBNREBOKES-UHFFFAOYSA-N 497.348 2.140 10 40 JECB COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@@](CCSC)(C(=O)O)[C@@H]3C2=O)cc1 19848588 QLAXUAXBXIZJAY-GSRZOBFVSA-N 486.546 2.436 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(O)c(OCC)c1 20674863 NFWFGTKTMDDEAH-DHIUTWEWSA-N 496.564 2.328 10 40 JECB Cc1cc(C(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 23107152 QFGSKJGZEYMEGM-UHFFFAOYSA-N 486.575 2.378 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 12779265 KGGICRJRXOYVPM-VLGSPTGOSA-N 487.651 2.464 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(c2cccc(OC)c2)C1=O 102550443 KKNRFTSTJZYYKP-ITICKHJUSA-N 478.530 2.182 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2330078 LYIULJXBMPAPTM-VWKMBWMVSA-N 460.581 2.156 10 40 JECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 12516948 BCBXJHGUXQACCS-ZBLYBZFDSA-N 492.576 2.490 10 40 JECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409240567 UOCJGJQUJHTDNZ-HMMYKYKNSA-N 463.490 2.153 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCN(CCO)CC4)c4ccccc34)[C@H]21 1565524869 RPFPHWLFQRZYOE-MHZLTWQESA-N 487.604 2.315 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)cc4F)C3)CC2)cc1 2037946980 SDNKALUBVABBBI-RUZDIDTESA-N 478.536 2.447 10 40 JECB CCOc1cccc([C@@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O 9968590 MXGAIUNQEBMILM-FUSMBFRDSA-N 490.516 2.026 10 40 JECB Cc1c(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)oc2c(O)c(O)ccc12 20624734 NLNZHSFTJNSQKH-UHFFFAOYSA-N 452.463 2.128 10 40 JECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCOCC3)ccc21 21887052 FRBVGGOVUWVIBI-QFIPXVFZSA-N 458.509 2.475 10 40 JECB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)Nc4nc(C)c(C)s4)n3)CC2)cc1 61719697 WWQIWRIZKIMSAA-UHFFFAOYSA-N 454.556 2.291 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)cc1C 408534919 RSNQMYIGDVCMQJ-FOWTUZBSSA-N 462.510 2.139 10 40 JECB CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 1447001 WUZMVCMNMVVEOK-QINSGFPZSA-N 473.580 2.112 10 40 JECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)c1 8740382 JSLJZPVWYNPLOV-HGLWPWQMSA-N 451.483 2.297 10 40 JECB biogenic COc1ccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 113962366 PCVKROFXJVAYMQ-UHFFFAOYSA-N 461.584 2.394 10 40 JECB CCNC(=S)N1CCN(CCN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)CC1 19899331 FHSDMXBBLVPYOX-XDJHFCHBSA-N 471.656 2.394 10 40 JECB NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br 409259782 FGPQWQKWOWLDNP-JYRVWZFOSA-N 460.309 2.145 10 40 JECB CCC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 19848918 RLSPUGROUIKIDX-VKDGWMQASA-N 454.479 2.483 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22809473 IKHVPBNDRATFQZ-JOCHJYFZSA-N 458.006 2.127 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)CC2)cc1 9192245 RLMIGPXHHYJGDE-UHFFFAOYSA-N 459.568 2.451 10 40 JECB CN(C)c1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 22936743 FNFLSPXNUOWCAH-PWWKTKHKSA-N 461.610 2.153 10 40 JECB biogenic,in-vitro O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958674 IXPGAMUPYUVAMZ-JYYLQKJRSA-N 469.497 2.261 10 40 JECB biogenic CCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758188 WXZYYSRGVKHSKR-NRFANRHFSA-N 451.527 2.099 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 10272169 JYBFGSCWHLWGJJ-AGGMBTAESA-N 488.569 2.187 10 40 JECB Cc1cc(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 22799518 JBWUCGRMXOXMJV-UHFFFAOYSA-N 452.555 2.246 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801241 HUBFXFKAMYBONC-SFTDATJTSA-N 481.509 2.132 10 40 JECB COc1ccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 101362441 IPSRTEUZJDBFFI-AQTBWJFISA-N 463.519 2.237 10 40 JECB COc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c([N+](=O)[O-])c1 20239051 GEEZYLJQNNXLTF-AQINLTQESA-N 475.464 2.485 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 59418540 VIOYVRIDZZMVTQ-MJLBXUHQSA-N 482.518 2.366 10 40 JECB CCOC(=O)COc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC 9311587 VJDOWBAYAUSRAV-UHFFFAOYSA-N 485.356 2.388 10 40 JECB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2337248 VIRAIWCERBYAEB-IZCBMXNHSA-N 462.597 2.423 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22735035 BGTXMQYXKCHNGY-XMMPIXPASA-N 479.625 2.429 10 40 JECB CC1=NN(c2ccccc2)C(=O)/C1=C\NCC(O)CN/C=C1\C(=O)N(c2ccccc2)N=C1C 67317189 WGHZFMDWESIPLG-OZKZUFLSSA-N 458.522 2.140 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCC1 16022055 OKOCAXPIBDFVIT-DUHPJZPXSA-N 465.481 2.143 10 40 JECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CCc3ccccc3C2)cc1 36683782 BGUVFZVWGFVBOZ-DNQXCXABSA-N 450.583 2.263 10 40 JECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 408949774 IULRLHBLFOCHCF-LFYBBSHMSA-N 489.234 2.308 10 40 JECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 9477120 BFHYRKKKWWFLHZ-UHFFFAOYSA-N 481.582 2.050 10 40 JECB O=C1N=C(O)/C(=C/c2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c([N+](=O)[O-])c2)C(=O)N1 16428130 COJAKRSOICFXJU-UHFFFAOYSA-N 466.410 2.419 10 40 JECB CCN1C(=O)C(=Cc2cc(I)c(O)c(OC)c2)C(=O)N(CC)C1=S 9233749 OPCGZSINVZSBAQ-UHFFFAOYSA-N 460.293 2.384 10 40 JECB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 9320558 IHYJZFHWNVPRCV-HNDQUVLASA-N 462.597 2.423 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4[nH]c(=O)c5ccccc5c4=O)cc3)CC2)cc1 9561387 IMXPOIKEJFLOHI-UHFFFAOYSA-N 492.557 2.199 10 40 JECB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NCCN2CCNCC2)cc1 18153073 REGLOUKRDNEBGW-OQKWZONESA-N 464.526 2.123 10 40 JECB CN1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc3c(c2)CCN3C)CC1 22735867 ZAEIQJIGRRCWHX-OAQYLSRUSA-N 450.555 2.224 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C1=O)N(C)CC3)OCO2 104032298 OATDKCWTINWDON-WAGPWIPHSA-N 492.532 2.326 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)O 408692485 NLKDXFLNMHRHFZ-WUXMJOGZSA-N 467.272 2.326 10 40 JECB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 15056174 FLLDWAQWMNRXLO-NVNXTCNLSA-N 483.980 2.494 10 40 JECB COC(=O)COc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC 107829326 ZBCNKLCWZSHJCZ-OQLLNIDSSA-N 461.268 2.471 10 40 JECB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 409194188 ODSOFXVZUXFZSK-LICLKQGHSA-N 463.471 2.344 10 40 JECB Cc1cc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 9157910 WRSHKALQZSALBV-UHFFFAOYSA-N 465.384 2.269 10 40 JECB COc1c(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c(CCN(C)C(C)=O)cc2c1OCO2 8917852 XHLNFGQJSROEDP-PDGQHHTCSA-N 479.489 2.420 10 40 JECB biogenic COc1ccc(N2CCN(C(=O)Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)CC2)cc1 67197202 COTAWMZEZGTBIN-UHFFFAOYSA-N 474.517 2.162 10 40 JECB COc1ccc(N2CCN(CC(=O)N[C@@H](C)[C@H](c3ccccc3)N3CCOCC3)CC2)cc1 12562260 OXTUARLEGKYGKP-HFZDXXHNSA-N 452.599 2.395 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1 223520434 LMRKEALROPWRIS-HNNXBMFYSA-N 453.511 2.477 10 40 JECB COc1ccccc1N1C(=O)C(=CNN2CCOCC2)C(=O)N(c2ccccc2OC)C1=S 2268527 LGLPRSYICPZZQI-UHFFFAOYSA-N 468.535 2.089 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22735725 DMWJCTGLKAJGQN-NRFANRHFSA-N 461.584 2.048 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\N[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)C2=O)cc1 101036748 ZYJJPICZPZQJHL-CKNGIZQFSA-N 476.489 2.407 10 40 JECB CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 6144818 MYFBJGSKAHGDFM-OVDNTTTISA-N 471.520 2.486 10 40 JECB COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3N(C)S(C)(=O)=O)CC2)cc1 13582694 HOSTYKNCEVZUIF-UHFFFAOYSA-N 463.556 2.071 10 40 JECB COC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 34868381 TZHZSOXHYGPYIH-ZROIWOOFSA-N 478.242 2.304 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 6151063 XKEPLSLKPBYNAE-QCHPHUCNSA-N 493.585 2.491 10 40 JECB COc1ccc(N2CCN(C(=O)CSc3nnc(COc4ccccc4F)n3N)CC2)cc1 9980487 YRXHKNGQGCINHX-UHFFFAOYSA-N 472.546 2.160 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)cc1OC 19817899 MUDPFNGEPKXJGF-XZOQPEGZSA-N 496.564 2.241 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(N)=O)c3)C2=O)cc1OC 409226923 XVXRIVMEYWNOQZ-BOPFTXTBSA-N 453.451 2.015 10 40 JECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 4083539 JYZMQQFMQMOCHV-AQTBWJFISA-N 476.464 2.306 10 40 JECB COc1ccc(CCNC(=O)CSCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 9613521 VHCVOOTXMMZFKE-UHFFFAOYSA-N 457.596 2.445 10 40 JECB CCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20100222 OKDDJYOURDAMCF-JXAWBTAJSA-N 487.651 2.119 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)CC2)cc1 223003960 QVHBEMIAPWZLGK-UHFFFAOYSA-N 459.553 2.310 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 2393768 PYDQFXQMVZWLJO-IYICPGQYSA-N 462.462 2.017 10 40 JECB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(F)c4)C3=O)o2)cc1 12463347 YQOOEIGNTWBZJY-UNOMPAQXSA-N 469.450 2.372 10 40 JECB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc(OC)c1OC 20207030 ICAOAWYWAHLFIB-JEBRHCKLSA-N 466.541 2.360 10 40 JECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC 33620832 JGMIGSQDKYGMPI-ATTDUZETSA-N 455.423 2.395 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 21886987 URPBQFHCHWNFKQ-HSZRJFAPSA-N 452.555 2.206 10 40 JECB O=C(O)[C@@H]1CN[C@@H](c2cc(I)cc(I)c2O)S1 408977569 IZNCXDNYXGJUBG-IONNQARKSA-N 477.061 2.390 10 40 JECB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 15277065 QSGQCXIMLYDEGU-UHFFFAOYSA-N 485.547 2.490 10 40 JECB O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15279732 WSFNCOXCGQQLAY-UHFFFAOYSA-N 453.414 2.233 10 40 JECB CCc1cccc2c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)cn(CC(=O)N3CCOCC3)c12 409204994 FCFAUCANIATAFF-STZFKDTASA-N 478.549 2.467 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3c(C)nn(Cc4ccccc4)c3C)[C@H](C(N)=O)C2)cc1 257228947 FVYLBFCGDFWSQI-QHCPKHFHSA-N 476.581 2.171 10 40 JECB COc1cccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 102641298 PXMNRGVOVKIXIP-AQTBWJFISA-N 463.519 2.237 10 40 JECB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccnn4CC)c(=O)n32)cc1 2788453 DLMNEMOEYQIMMJ-BARSGRSVSA-N 479.606 2.471 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1 16034080 OYWBHZFPCVDCEA-JYYLQKJRSA-N 487.487 2.400 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 248136159 MZZICIIDVQYQOR-ATZDWAIDSA-N 461.430 2.005 10 40 JECB CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccc(Br)cc23)C(=O)NC1=S 409142013 PJRUTJWWBXNKNF-AWNIVKPZSA-N 450.314 2.223 10 40 JECB Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16022132 ZLTOLWCUPRACIL-GDNALLQQSA-N 461.518 2.312 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3nc4c(Oc5ccc(C)cc5)nccn4c3=O)CC2)cc1 33308968 QKVGWRQXSBUZTD-UHFFFAOYSA-N 474.521 2.349 10 40 JECB COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NC1CC1 9847278 XCAKDIATEGKENK-UHFFFAOYSA-N 459.568 2.245 10 40 JECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9672481 WVYAKTZHINUSGQ-UHFFFAOYSA-N 496.589 2.484 10 40 JECB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1 101148760 DTXDRCVVDKOKPD-XSFVSMFZSA-N 478.958 2.034 10 40 JECB COc1ccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)[C@@H](C(=O)N(C)C)C2)cc1 257302735 SECQMONQUIVOSE-JOCHJYFZSA-N 466.586 2.203 10 40 JECB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857761 XJKIBKNNIKIRIR-QHCPKHFHSA-N 465.598 2.121 10 40 JECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)CC1 8819405 GMJFQMJOFSFPEK-ATVHPVEESA-N 479.580 2.206 10 40 JECB COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19972834 DSDBYKYMMJVEKB-XMMPIXPASA-N 489.580 2.390 10 40 JECB CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccc(OC)cc5)CC4)ncn3n2)cc1 67208908 UTBCHGXRXUNZMX-UHFFFAOYSA-N 472.549 2.478 10 40 JECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCOCC3)ccc21 13007318 OZFSUKXPQRUSHE-QFIPXVFZSA-N 456.974 2.138 10 40 JECB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887117 PIAWXAXHNTZVBA-JOCHJYFZSA-N 452.555 2.206 10 40 JECB Nc1nnc(SCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)s1 9491887 UDSZOMWIZKIKCC-UHFFFAOYSA-N 454.489 2.170 10 40 JECB COc1ccc(CN2C(=O)[C@@H]3[C@H](Cc4ccc(O)c(O)c4)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 20611895 LDFXBRDZTOCKRE-GXCDUKDASA-N 499.523 2.270 10 40 JECB biogenic COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C 34829284 FSXFMKUXOJHOOW-SXGWCWSVSA-N 455.423 2.395 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 16038665 MZZICIIDVQYQOR-MNEFBYGVSA-N 461.430 2.005 10 40 JECB CCCCn1c(SCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n[nH]c1=O 24902154 HPCMJGCMGWTMKT-UHFFFAOYSA-N 463.585 2.401 10 40 JECB Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 100762339 YCPXPVGVIATYIF-SFQUDFHCSA-N 451.483 2.367 10 40 JECB CSCC[C@@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 18152662 KKHQMUOUNGXXQT-QPXQOZNCSA-N 456.520 2.120 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCN3C)CC1 22734345 HEXCJISGDKDICX-DEOSSOPVSA-N 453.631 2.090 10 40 JECB COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccc(C)c(C)c4)CC3)CC2)cc1 57486187 YWMFNHPBSNSRLQ-UHFFFAOYSA-N 450.583 2.419 10 40 JECB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1 41076646 BNYJIWXORLHPJF-HVGLOSIJSA-N 481.519 2.296 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 20329334 ODWWUPNNXNIDOE-JENJNIGESA-N 460.490 2.047 10 40 JECB COCCN1C(=O)/C(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)C(C(=O)OC)=C1C 408848734 SDRIXVKKPHWCJO-CPNJWEJPSA-N 460.508 2.077 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 21886989 URPBQFHCHWNFKQ-QHCPKHFHSA-N 452.555 2.206 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(=O)n(CC(C)C)c(=O)c4sccc43)CC2)cc1 57486091 YPUUYFPGNCTCEV-UHFFFAOYSA-N 456.568 2.238 10 40 JECB CC(=O)N1CCN(CCNC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)CC1 28632431 DXXWIOYGUWBDHW-UHFFFAOYSA-N 473.618 2.080 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)O 409046639 KUHXREAYKNTEID-WLRTZDKTSA-N 475.797 2.387 10 40 JECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)N1CCOCC1 35352731 TXQOJHDRKJTUJO-PDGQHHTCSA-N 485.924 2.438 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)cc1OC 19817901 MUDPFNGEPKXJGF-PKTZIBPZSA-N 496.564 2.241 10 40 JECB O=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1)c1ccccc1 18198393 YBXUOLCKFWGGFH-UHFFFAOYSA-N 458.477 2.142 10 40 JECB CN1C(=O)C(=Cc2cc(Br)cc(I)c2O)C(=O)N(C)C1=S 59139227 BSIPXMQXKPUKHI-UHFFFAOYSA-N 481.109 2.358 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C/[C@@H]3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)C2=O)cc1C 408855103 BYEZPDPYOLZVPB-ZYNFKGNASA-N 490.541 2.494 10 40 JECB COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1 9518898 XVAIWIHKZFWQTN-UHFFFAOYSA-N 490.560 2.040 10 40 JECB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 225482896 QNOAXUWPTXPIPR-UHFFFAOYSA-N 470.639 2.464 10 40 JECB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)SC2=S)cc1 409344099 FHIYZPUXQXWVQB-GZTJUZNOSA-N 454.533 2.432 10 40 JECB COCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9127235 QUAGYKCNXZWDCN-UHFFFAOYSA-N 453.543 2.476 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 20410749 DRXYPGJWJRWFHW-OOXMNIKJSA-N 498.536 2.013 10 40 JECB biogenic COc1ccc(N2CCN(C(=O)COC(=O)Cc3csc(-c4ncccn4)n3)CC2)cc1 40150440 XXGKJFOSNQDGSP-UHFFFAOYSA-N 453.524 2.043 10 40 JECB O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 40151061 XJGUTOWTDLWINV-UHFFFAOYSA-N 458.540 2.360 10 40 JECB COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)[C@H](C(N)=O)C2)cc1 257319308 VRUSACQCTPJROH-QFIPXVFZSA-N 455.530 2.376 10 40 JECB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 409221846 VJVDQSUCSYWFAQ-RCCKNPSSSA-N 463.490 2.153 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2787440 LWOAWPMKOBRPRI-CURYZJDOSA-N 465.579 2.081 10 40 JECB NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 409259412 ZHUGZZINVMHWCD-ZROIWOOFSA-N 460.309 2.145 10 40 JECB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1O 13343807 MQHCBPXPWXYZJA-WTKPLQERSA-N 451.263 2.291 10 40 JECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 408886759 LYDICDJCHDZRGD-UHFFFAOYSA-N 466.924 2.421 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=S)N(Cc2ccccc2)C1=O 2366768 HQBXNMRXJUFSME-ZPBCLNFZSA-N 462.531 2.169 10 40 JECB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 22252928 HZJAVFPWUBICNV-UHFFFAOYSA-N 477.583 2.461 10 40 JECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CCCO2)N2CCc3ccccc3C2)cc1 36683783 BGUVFZVWGFVBOZ-RPWUZVMVSA-N 450.583 2.263 10 40 JECB COc1cc(/C=C2\SC(=O)NC2=S)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 15056976 GCSOREXNXPHFRG-SXGWCWSVSA-N 479.561 2.485 10 40 JECB CCC[C@]1(C(=O)O)N[C@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 12469568 RLSPUGROUIKIDX-SMOZNVCYSA-N 454.479 2.483 10 40 JECB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409239795 FEOYHWKJQAOWOL-XDHOZWIPSA-N 485.949 2.409 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 16038663 MZZICIIDVQYQOR-IPELMVKDSA-N 461.430 2.005 10 40 JECB COc1cccc(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 13809720 PXMNRGVOVKIXIP-QGOAFFKASA-N 463.519 2.237 10 40 JECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC 33620836 JGMIGSQDKYGMPI-YDRQLGOLSA-N 455.423 2.395 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(N4CCc5ccccc5C4)nc(C)cc3=O)CC2)cc1 57506622 MZTVVPSINLQNGF-UHFFFAOYSA-N 473.577 2.472 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CCc1ccccc1 15959873 OEZYXBVSAMHHLR-GXCDUKDASA-N 483.524 2.304 10 40 JECB biogenic Cc1ccc(N2C(=O)/C(=C/N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)cc1Cl 96254756 BPNPTQWJFNPCRY-NTCAYCPXSA-N 458.927 2.331 10 40 JECB O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1 100972334 WTGXMMULVGYTOZ-FNTDYBJHSA-N 467.528 2.360 10 40 JECB CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)s1 8424757 JUEHSVKZYVNCMJ-VBKFSLOCSA-N 498.546 2.480 10 40 JECB COc1ccc(N2CCN(C(=O)COC(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1 12526923 QRXJPHYXOOGYCH-UHFFFAOYSA-N 460.552 2.059 10 40 JECB C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 14810821 LBZPYQBEBGXBOS-CQSZACIVSA-N 484.530 2.004 10 40 JECB COc1ccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4cc(OC)c(OC)cc4c3=O)CC2)cc1 16953830 LTEXTBLTVPJULM-UHFFFAOYSA-N 496.564 2.235 10 40 JECB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ccc(OC)cc2)CC1)C(=O)O 61721940 RPANICXRSQQMIA-OAHLLOKOSA-N 461.540 2.395 10 40 JECB O=C(O)CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 409103822 ZDDOTNUWPLUTFX-GZTJUZNOSA-N 459.549 2.176 10 40 JECB O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643554891 OVACNCPKEWKCEB-MHZLTWQESA-N 490.560 2.299 10 40 JECB Cc1cc(C(=O)COC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c(C)n1-c1cccc(F)c1 21443962 FEQGJOHIBKTJNH-UHFFFAOYSA-N 476.464 2.468 10 40 JECB CCOc1cccc([C@@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O 15240810 MXGAIUNQEBMILM-JYEBCORGSA-N 490.516 2.026 10 40 JECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCN1CCOCC1 20287330 QEGFTQYOBNMBIT-HKWRFOASSA-N 457.556 2.148 10 40 JECB COC(=O)c1ccc2c(=O)n(CCN3CCN(c4ccc(OC)cc4)CC3)c(S)nc2c1 12415769 LRTYBBPPKPWEPU-UHFFFAOYSA-N 454.552 2.303 10 40 JECB CC(C)CCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccccn3c2=O)SC1=S 20080576 OBIUVUXBEQSWQR-SDXDJHTJSA-N 487.651 2.056 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC 22735221 SZEZPVVJEFHFSB-QHCPKHFHSA-N 495.624 2.130 10 40 JECB O=C(O)[C@H]1CN[C@@H](c2cc(I)cc(I)c2O)S1 408977571 IZNCXDNYXGJUBG-VXNVDRBHSA-N 477.061 2.390 10 40 JECB COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 13669336 WBBNLFYNQYQYNS-UHFFFAOYSA-N 467.975 2.268 10 40 JECB CC1=NN(C(=O)c2ccccn2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104237430 VOQYZWTZCQQUPX-QXXHGPKRSA-N 464.467 2.183 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735196 VHSDWFWXIPQHAE-DEOSSOPVSA-N 455.647 2.313 10 40 JECB O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409046737 LNWRMWPGWPTDAF-RIYZIHGNSA-N 490.222 2.487 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)c(OC)c1 409231855 LBCOFLKICQXFLS-LDADJPATSA-N 467.478 2.215 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 8767593 GXGAKOITBPIJJC-VKAVYKQESA-N 492.623 2.052 10 40 JECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409040599 GXARVBNBHPHZPA-UHFFFAOYSA-N 474.267 2.225 10 40 JECB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(N)(=O)=O)CC3)c2C)cc1F 32778325 PACGPQNNJLRTJN-UHFFFAOYSA-N 451.520 2.183 10 40 JECB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 100726193 CBZGUKSAQGLGJO-HDICACEKSA-N 462.462 2.151 10 40 JECB NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409224320 KIPCTIMYNYPTQL-RIYZIHGNSA-N 462.231 2.119 10 40 JECB CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 96193336 GAFLLGXILZFJGO-WQRHYEAKSA-N 473.507 2.091 10 40 JECB O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409054299 FHUPTOXIFMDRFW-RIYZIHGNSA-N 461.224 2.285 10 40 JECB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1=O 8870206 QOUFCFHIXAYDPJ-NMYGKSDESA-N 461.565 2.059 10 40 JECB COc1cc(NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)ccc1NS(C)(=O)=O 48286311 XAEUDDOOQPUXGY-UHFFFAOYSA-N 491.613 2.164 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)cc1 585281847 CIKNDFKTQPMCDH-RUZDIDTESA-N 460.546 2.308 10 40 JECB COc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(Br)c(Br)c1O 9263228 KHPCWRVFFRFLKB-UTCJRWHESA-N 450.108 2.182 10 40 JECB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NCc3ccccn3)CC2)cc1 25183941 CUBIKHFABHMEJI-UHFFFAOYSA-N 453.528 2.226 10 40 JECB COC(=O)C[C@@H](c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12)c1ccnn1C 96114051 JVCMVMCNAPHTBY-LLVKDONJSA-N 468.418 2.417 10 40 JECB biogenic CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1cc(F)ccc1OC 13581260 YGMSZFJNUJFSMN-UHFFFAOYSA-N 465.547 2.202 10 40 JECB COc1cccc(/C=C2\SC(=S)N(NC(=O)Cc3nn(C)c(=O)c4ccccc34)C2=O)c1O 9226806 XCYWLPONIGHSFC-YVLHZVERSA-N 482.543 2.123 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)cc1OC 19817903 MUDPFNGEPKXJGF-GOTSBHOMSA-N 496.564 2.241 10 40 JECB CN1C(=O)C(=Cc2cc(Br)cc(I)c2O)C(=O)N(C)C1=O 408718109 JZLBWJVKXYXANO-UHFFFAOYSA-N 465.041 2.193 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Br)cc4)n3)CC2)cc1 12641171 RXGGKQLWWJZNTA-UHFFFAOYSA-N 457.332 2.460 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCCN3C)CC1 22735142 BVOFNVLIOWXZKM-HSZRJFAPSA-N 471.552 2.391 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CCSC)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1 103002173 XFHSYDWHPZOBMB-CMCWBKRRSA-N 486.546 2.436 10 40 JECB COc1ccc(N2CCN(C(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)CC2)cc1 20244745 BNZOUXWZIVIFRC-UHFFFAOYSA-N 460.600 2.274 10 40 JECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409018992 ZVZXZRCEVAGGES-TTYLXTBDSA-N 493.516 2.386 10 40 JECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)c1C 408532642 QPOFLSNCOGSFFO-QINSGFPZSA-N 476.493 2.301 10 40 JECB CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)CC1 408538743 QBWNPCOTTOSZSD-OUKQBFOZSA-N 495.927 2.253 10 40 JECB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 35575686 IHNFFVYYGZZHHS-BWLUOLFWSA-N 455.311 2.387 10 40 JECB C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957774 NKPACYHUHYNIBT-HNNXBMFYSA-N 453.511 2.272 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(NCC(C)C)nc12 8914671 CXWIDYNRQNCSMT-CIKBWMHTSA-N 492.648 2.459 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)[C@@H](C(N)=O)C2)cc1 257215644 CRABHPYMZNRNMK-HSZRJFAPSA-N 451.571 2.300 10 40 JECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCOCC3)ccc21 13007315 OZFSUKXPQRUSHE-JOCHJYFZSA-N 456.974 2.138 10 40 JECB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735337 XPILOEDATZOBFL-RUZDIDTESA-N 492.624 2.071 10 40 JECB COc1cccc([C@H]2N[C@](Cc3c[nH]cn3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1O 100130644 ZXWDWYSITBIUGA-RGKFVRLKSA-N 496.907 2.294 10 40 JECB CCCN1C(=O)/C(=C\c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 33766640 DRYIHOUXWKCUAH-LFIBNONCSA-N 471.608 2.316 10 40 JECB COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 22664795 IFWIFRYLMOQJIM-HXUWFJFHSA-N 458.515 2.481 10 40 JECB O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 32594760 YLPPWVLYUMWIEM-NXVVXOECSA-N 468.541 2.318 10 40 JECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1 409053943 DWFAJWQZDHZKTR-RIYZIHGNSA-N 458.810 2.256 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735199 VHSDWFWXIPQHAE-XMMPIXPASA-N 455.647 2.313 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)CC2)cc1 1330611 FJNNBXAJWSZRDE-UHFFFAOYSA-N 462.485 2.079 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(Cl)c4)C1=O)N(C)CC3)OCO2 2106983 PRRMHMWHKWJYKF-LPPOOGIUSA-N 498.923 2.363 10 40 JECB biogenic CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2OCC)cc1 13915655 ZGMJBIVMGPHLDU-UHFFFAOYSA-N 497.529 2.194 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)c5ncn(C)c5c4c3)CC2)cc1 8593161 KSRHQUAVAWDUQH-UHFFFAOYSA-N 454.508 2.199 10 40 JECB CC(=O)N1C(=O)/C(=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)c2ccccc21 8871601 BQTVPMGJDCLWLM-ZCXUNETKSA-N 481.511 2.488 10 40 JECB COc1ccc(N2CCN(c3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)CC2)cc1 8974059 SIBZDGMCKIYBCR-UHFFFAOYSA-N 476.566 2.373 10 40 JECB COc1ccc(OC)c(N/C=C2\C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c1 9463078 GLJKQQICXASCKT-DTQAZKPQSA-N 455.467 2.338 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1 19817818 PDRUQBVXNVMOOZ-PKTZIBPZSA-N 496.564 2.241 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734269 PEVDXMBVLUCCRF-HSZRJFAPSA-N 465.598 2.039 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4C)C3)CC2)cc1 585287294 MELNKMOQSINJDI-SANMLTNESA-N 456.583 2.477 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)cc4O)N[C@@](CCSC)(C(=O)O)[C@@H]3C2=O)cc1 8868152 XFHSYDWHPZOBMB-ZBNTXBBCSA-N 486.546 2.436 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22735825 XBBIONZWCLWYCF-QHCPKHFHSA-N 458.628 2.263 10 40 JECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@@H](C)C(=O)O)C2=O)o1 34761241 XJTADXYKDAUDGH-PFSWGADMSA-N 457.439 2.077 10 40 JECB O=C(O)CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)N2CCOCC2)SC1=S 409109191 ZISYOKCFVSUHTC-XNTDXEJSSA-N 470.956 2.254 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2332067 UKVJTZDGHKDAOA-JXAWBTAJSA-N 487.651 2.383 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C/[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1Cl 408990291 WSTAQTOJNUKPFA-LTBFUDJGSA-N 482.905 2.222 10 40 JECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 16217031 WDGJCRIEBNVIJP-UHFFFAOYSA-N 459.568 2.207 10 40 JECB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)cc1 13959705 GZSLRTQDSCXHIR-WVWKGNOCSA-N 479.606 2.296 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1 57016007 MLFYUCUPGLMLOD-UHFFFAOYSA-N 494.983 2.456 10 40 JECB COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 6245149 PRHYRHPRAMGDFL-DEDYPNTBSA-N 460.490 2.379 10 40 JECB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9124902 XKMOHALKAWXCCK-FOIQADDNSA-N 460.552 2.497 10 40 JECB Cn1c(COc2ccccc2)nnc1Sc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-] 59490109 CBUBNUQTCWSVHG-UHFFFAOYSA-N 496.530 2.368 10 40 JECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)c1 85893377 MIODINXBXQQPIH-XDHOZWIPSA-N 495.488 2.120 10 40 JECB biogenic CCOc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)c(Br)c1O 669305 YGMNBTVDAPJRHV-UHFFFAOYSA-N 450.108 2.230 10 40 JECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 20287299 UIPORYFYEORGDY-MOSHPQCFSA-N 499.574 2.273 10 40 JECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 12640171 AMZCJGATXGXGOE-AREMUKBSSA-N 464.566 2.425 10 40 JECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1 13675468 DMZHOMPPPFCXQR-UHFFFAOYSA-N 455.939 2.398 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5cc(OC)c(OC)cc54)c3=O)CC2)cc1 23126009 MFWSFZIPQRDXTR-UHFFFAOYSA-N 477.521 2.252 10 40 JECB COc1ccc(N2CCN(C(=O)CSc3ncnc4nc(N5CCOCC5)sc34)CC2)cc1 67219721 UMWMTNHBBGKPDZ-UHFFFAOYSA-N 486.623 2.372 10 40 JECB Cc1ccc(N2C(=O)[C@@H](/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)C(=O)NC2=S)cc1C 103849099 IGFGILVKNVKGIS-RNIVLKNTSA-N 480.477 2.016 10 40 JECB CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)CC1 224025227 DVXMNAGMPAMYFA-UHFFFAOYSA-N 454.596 2.216 10 40 JECB CCCCCCN1C(=O)NC(=O)/C(=C\NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 100750933 NUISROJODGIQFP-MOKGIYGOSA-N 472.542 2.085 10 40 JECB biogenic COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)N=C(S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 104079286 DRXYPGJWJRWFHW-SHRNQRGKSA-N 498.536 2.425 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 28627777 NHSSIMREKCPHKV-FGGAIWKESA-N 463.559 2.483 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(N)=O 408961921 PJXFVTLXZIVNDP-OQLLNIDSSA-N 488.294 2.378 10 40 JECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)N1CCOCC1 33825031 DDLYOTAJVTZTOE-AQTBWJFISA-N 486.322 2.148 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)NC3=C(C(=O)OCC)[C@H]4CCC[C@@H]4S3)nnc2n1 16689849 PHICKQQHEHMNGK-RYUDHWBXSA-N 492.631 2.281 10 40 JECB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc(N2CCOCC2)cc1 8707638 GDSLFWRQSPRDPD-UHFFFAOYSA-N 472.611 2.378 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(C)cc3)CC2)cc1 58059343 QTFJECQGGXDWPK-UHFFFAOYSA-N 474.565 2.111 10 40 JECB COc1cccc([C@H]2N[C@](Cc3cnc[nH]3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1O 15276769 ZXWDWYSITBIUGA-LFALDJFMSA-N 496.907 2.294 10 40 JECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59109610 RBRKZKWXUAYBED-UHFFFAOYSA-N 467.482 2.273 10 40 JECB Cc1ccc(N2C(=O)[C@@H](/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)C(=O)NC2=S)cc1C 408850896 FTACWOTWDBYNBJ-QTNMRXCUSA-N 496.545 2.181 10 40 JECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 13075213 NMGPDCRQVSKVFL-UHFFFAOYSA-N 494.617 2.498 10 40 JECB COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 22665006 OHLRMGBIGLDJLF-NRFANRHFSA-N 471.558 2.397 10 40 JECB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccnn4CC)c(=O)n32)cc1 2788451 DLMNEMOEYQIMMJ-MNJKBJKMSA-N 479.606 2.471 10 40 JECB Cc1cc(CNCCN(C)C)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 22919000 IKKUXSKEKRRUKS-UHFFFAOYSA-N 489.686 2.366 10 40 JECB COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(O)cc3O)N[C@](CC(C)C)(C(=O)O)[C@@H]2C1=O 8867944 FIVDXJYNHZJKPR-XHOYROJHSA-N 454.479 2.426 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 22734977 NEPFCVQOKQSJAP-DEOSSOPVSA-N 484.044 2.444 10 40 JECB CC[C@](C)(CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCOCC1 31924774 MIRSEMFKSHOLNY-JOCHJYFZSA-N 492.554 2.332 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S 9272581 CTXKMQVRJSYDSR-SSZFMOIBSA-N 462.597 2.425 10 40 JECB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 56925354 PRNSSLJBNFFDBF-FQEVSTJZSA-N 451.571 2.230 10 40 JECB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(OC(F)F)cc1 9493839 ZMNYMFVRARZUGG-UHFFFAOYSA-N 457.437 2.326 10 40 JECB C[C@H]1CN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H](C)O1 10383390 UWJYCWOQQVNIPQ-IRXDYDNUSA-N 484.574 2.499 10 40 JECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104204037 KBLWUZOOAKHEOO-QDVZYSMTSA-N 464.467 2.183 10 40 JECB CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)CC1 225540773 PIIIHASBIROARF-HXUWFJFHSA-N 474.602 2.295 10 40 JECB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 12516947 BCBXJHGUXQACCS-IDISGSTGSA-N 492.576 2.490 10 40 JECB COCCN(C(=O)/C=C/c1cc(C)n(-c2cc(C)on2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13042537 ARHMFJICHMLUTA-BQYQJAHWSA-N 484.557 2.172 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 1467010 YTPWHERXRHYSNC-PZHBDVNGSA-N 491.569 2.261 10 40 JECB CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@@H]2NCC[C@H](C)N2)cc1)C(=O)Nc1ccccc1C 104123897 WSRFWMXSXPJDBD-VOEKTGPWSA-N 472.571 2.208 10 40 JECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2)cc1 409196355 UGFAQWVJBZDKRG-UHFFFAOYSA-N 461.584 2.500 10 40 JECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 13669881 XAJLKCHAOIFKAS-UHFFFAOYSA-N 479.986 2.128 10 40 JECB COc1ccc(N2CCN(C(=O)CNC(=O)c3cc4c(OC)c(OC)ccc4[nH]3)CC2)cc1 13691413 NCAQZFVBPWVNFS-UHFFFAOYSA-N 452.511 2.272 10 40 JECB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(C)C)(C(=O)O)N[C@H]2c1ccc(O)cc1O 15276188 FIVDXJYNHZJKPR-CMCWBKRRSA-N 454.479 2.426 10 40 JECB CCOc1cc([N+](=O)[O-])c(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC 96193417 JGDRFYGPYCTMDV-SXGWCWSVSA-N 460.468 2.456 10 40 JECB COc1ccc(/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O 13496620 JLHVYIDEZZLOIB-WQRHYEAKSA-N 461.499 2.281 10 40 JECB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 12554060 BMZLADJJOVLPQJ-UHFFFAOYSA-N 472.611 2.378 10 40 JECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1 409219985 SJLGNTXIWRTUHO-AWNIVKPZSA-N 492.271 2.311 10 40 JECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=S)NCC)CC1 19706939 NANAAWVYGZFVNR-MNDPQUGUSA-N 473.603 2.083 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=S)N(c4ccccc4F)C1=O)N(C)CC3)OCO2 20410746 DRXYPGJWJRWFHW-QXSWTLKVSA-N 498.536 2.013 10 40 JECB biogenic COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 6058835 KUTQJNHTDYKTEO-FGYYGXQPSA-N 459.303 2.045 10 40 JECB C[C@@H]1CN(C(=O)CCCN(C)S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 10383392 UWJYCWOQQVNIPQ-IAGOWNOFSA-N 484.574 2.499 10 40 JECB CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 1480765 NSGPCJCCIGQFBK-QINSGFPZSA-N 458.565 2.305 10 40 JECB CC1(C)O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](C(=O)C(=[N+]=[N-])S(=O)(=O)c3ccccc3)[C@@H]2O1 8448424 WNFRNJXAZOPOJP-JKBKZWBZSA-N 458.492 2.120 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)NC3=C(C(=O)OCC)[C@H]4CCC[C@H]4S3)nnc2n1 16689851 PHICKQQHEHMNGK-NWDGAFQWSA-N 492.631 2.281 10 40 JECB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccc(Cl)cc21 20039091 PSYQVHQDUDXYKY-HXUWFJFHSA-N 465.959 2.020 10 40 JECB COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CCN(c2ccc(OC)cc2)CC1 13504291 FURTUDCTFCWMGR-HSZRJFAPSA-N 468.558 2.257 10 40 JECB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 409203058 WAAWZVPEDDILHL-GOSISDBHSA-N 461.584 2.500 10 40 JECB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(F)cc1 108234144 LEWWSBHQMGJDCJ-UHFFFAOYSA-N 462.231 2.355 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OC 409237514 XDHOCWNGWUVNGX-WUXMJOGZSA-N 479.230 2.370 10 40 JECB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccc(OC)cc2)CC1)S(C)(=O)=O 22252178 IVAJHWNPGWAHEG-UHFFFAOYSA-N 477.583 2.461 10 40 JECB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc(Cl)c3)CC2)cc1 9926435 VDEBESSQNCBWDY-OAQYLSRUSA-N 470.957 2.028 10 40 JECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59109587 AJNCYITTWRKYPD-UHFFFAOYSA-N 483.550 2.438 10 40 JECB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)c(C)c1 409247791 NXEASRGCOXRGBU-XSFVSMFZSA-N 479.558 2.372 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](CCCCN4S(C)(=O)=O)C3)CC2)cc1 585282923 JTJJXMJNMSLHQW-SIKLNZKXSA-N 451.633 2.163 10 40 JECB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 9130663 IRHZIWMGAKIZKB-UHFFFAOYSA-N 455.536 2.257 10 40 JECB COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC 22665003 OHLRMGBIGLDJLF-OAQYLSRUSA-N 471.558 2.397 10 40 JECB CCCCN1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 20130811 RHVDORURPXMBGL-SDXDJHTJSA-N 487.651 2.119 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 20410713 XXYOYPCHRJQHRH-QXSWTLKVSA-N 498.923 2.363 10 40 JECB biogenic COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 585286891 JSWFKAUTRILNEY-ZCYQVOJMSA-N 478.536 2.181 10 40 JECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2773112 JXNTXZKTSUYSKX-UHFFFAOYSA-N 466.924 2.339 10 40 JECB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 23857622 MIYXQCCAGHODQY-NRFANRHFSA-N 472.973 2.469 10 40 JECB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4cc(C)on4)co3)CC2)cc1 56949843 FSPIKVWXPUUMIK-UHFFFAOYSA-N 454.483 2.285 10 40 JECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O 9260123 OJPVTFNVKDOOJW-XSFVSMFZSA-N 472.501 2.475 10 40 JECB Cc1cc(/C=C/C(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc2c(c1)OCO2 24972013 CRDYUWBTZJAJKN-FPYGCLRLSA-N 450.539 2.259 10 40 JECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCOCC3)ccc21 22733877 XQTOBTSRWNVTGG-JOCHJYFZSA-N 456.974 2.138 10 40 JECB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 408728978 ABRTVIBCGRRXGR-KZFLWGQDSA-N 482.518 2.474 10 40 JECB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)N1 9311384 ZVFAJXOZKANTCD-UHFFFAOYSA-N 492.225 2.318 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CCSC)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1 103002169 XFHSYDWHPZOBMB-VKDGWMQASA-N 486.546 2.436 10 40 JECB COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(O)cc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 8867941 FIVDXJYNHZJKPR-AZXNSQLWSA-N 454.479 2.426 10 40 JECB CCCCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56949751 UCHGLHHSOUTBLH-UHFFFAOYSA-N 454.575 2.334 10 40 JECB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 225155209 ODWIRDLALNVXRS-UHFFFAOYSA-N 461.584 2.492 10 40 JECB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)C(C(=O)OC)=C1C 408773301 UUTIITSYOFFHLY-PLDFPGSMSA-N 472.538 2.070 10 40 JECB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N3CCCCC3)cc1)n2CCN1CCOCC1 13112478 PSNCLKRTBKLCEE-UHFFFAOYSA-N 466.586 2.286 10 40 JECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21886976 OOGTUKHSHIAOBG-HSZRJFAPSA-N 482.581 2.214 10 40 JECB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1C 409240459 KVAVBCAOWVNYBX-XSFVSMFZSA-N 463.490 2.207 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(F)ccc4F)C3)CC2)cc1 585287231 LDNCYQGPUZFDTI-ZCYQVOJMSA-N 478.536 2.181 10 40 JECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408774581 CHLNNKYERKYPMP-TZIXMZLDSA-N 484.549 2.212 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)cc1 9191963 IMMVCWQIBVQMNF-FGZHOGPDSA-N 466.538 2.232 10 40 JECB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20129886 YYIOIPWTPZNMCM-CQUHBBLWSA-N 487.651 2.117 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22735123 CFSBGDSLLXYDDI-HSZRJFAPSA-N 453.562 2.252 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 20113052 ANTPLNOCOIBJHL-RLGUWMIQSA-N 478.505 2.018 10 40 JECB biogenic COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 14273721 NVWQPYPTVVOCRF-UHFFFAOYSA-N 475.483 2.357 10 40 JECB COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccccn4)CC3)c(F)cc2S1(=O)=O 33140741 BFBVJXDVHSDOKP-UHFFFAOYSA-N 458.515 2.318 10 40 JECB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C(=O)NC1=S 409244921 KPFWEFPLDHZLQK-HMMYKYKNSA-N 479.558 2.318 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3C)CC2)cc1 9375428 FIPTUHPKGKXWAS-UHFFFAOYSA-N 474.565 2.126 10 40 JECB CCN(/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 30819311 ZSNCGYYCHHGAPD-PWDRBQJJSA-N 470.638 2.457 10 40 JECB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1O 56978330 ODXUGEKGBXCRCV-QGZVFWFLSA-N 461.496 2.315 10 40 JECB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 12294096 OJLXGIJQGXOBBQ-SDXDJHTJSA-N 487.651 2.383 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCN3C)CC1 22734381 BXDDXZPFAWZADH-QFIPXVFZSA-N 457.525 2.001 10 40 JECB COc1ccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccccc5)no4)CCC3=O)CC2)cc1 72329664 NXNSEJLTAQYWAC-UHFFFAOYSA-N 474.521 2.421 10 40 JECB O=C(O)CN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 80345467 OCNASMMCFDPHQT-CCAPLTMGSA-N 482.543 2.126 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 12779251 GWFKANFOYAURQC-ZKMNFCBKSA-N 472.592 2.220 10 40 JECB COCCNCc1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C 13113293 DTTLFWMJVRSJNH-UHFFFAOYSA-N 476.643 2.451 10 40 JECB Cc1cc(C(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12769942 OOXXYVZXZUWEHW-JOCHJYFZSA-N 497.529 2.257 10 40 JECB CCOC(=O)COc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33647924 UYKWTDHRZNEOPL-YBEGLDIGSA-N 455.423 2.397 10 40 JECB Cc1cc(C(=O)CN2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 36441001 FATCBBVHYWXUBM-UHFFFAOYSA-N 486.619 2.444 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1CCc1ccccc1 15959871 OEZYXBVSAMHHLR-BMEWAZJXSA-N 483.524 2.304 10 40 JECB biogenic CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735842 ONKUNPFHVAOPNM-DEOSSOPVSA-N 458.628 2.345 10 40 JECB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734290 IVIHMBAZCRCOII-DEOSSOPVSA-N 465.598 2.121 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCN3C)CC1 22734357 MWAUBWLJZVKGFY-QFIPXVFZSA-N 457.525 2.001 10 40 JECB COc1ccc(N2CCN(C(=O)CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)CC2)cc1 22792498 MALMQQAYQGGWCZ-UHFFFAOYSA-N 479.625 2.217 10 40 JECB CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Br)c1OS(C)(=O)=O 41107928 YUSMODRSOMONSA-ATKYUWIWSA-N 473.330 2.435 10 40 JECB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)NC1=S 409216602 MSGNRRFXVNHEIQ-WTKPLQERSA-N 450.108 2.148 10 40 JECB CN1C(=O)C(=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)C(=O)N(C)C1=S 59139384 JBZGHLCAVUVGSX-UHFFFAOYSA-N 492.145 2.274 10 40 JECB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 12637445 PDVMFWUQFTYFCU-UHFFFAOYSA-N 486.619 2.419 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 585287609 PNLPCVARKHADPT-AREMUKBSSA-N 456.583 2.477 10 40 JECB COc1ccc(N2CCN(CCCNC(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 9519945 RQYFCGUPUCNTNZ-FQEVSTJZSA-N 451.571 2.312 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675069 GOSOGSHXPSBOEA-NHCUHLMSSA-N 481.509 2.132 10 40 JECB COc1ccc(N2CCN(C(=O)CC[C@H]3N=C4c5ccccc5NC(=S)N4C3=O)CC2)cc1 2966815 PCQWRSINGFOVDL-HXUWFJFHSA-N 463.563 2.492 10 40 JECB Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 8858364 YEZSWGQSASCZFF-BOPFTXTBSA-N 486.575 2.418 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 22735598 QQLWFMZJAYZTPR-HSZRJFAPSA-N 488.654 2.353 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)[C@@H](C(=O)N(C)C)C2)cc1 257331947 XUZMVAXXBCQZGB-OAQYLSRUSA-N 454.575 2.224 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3nc4cc(-c5ccccc5)nc(C)n4c3=O)CC2)cc1 67235193 LXOCQOPNWWHPCF-UHFFFAOYSA-N 458.522 2.224 10 40 JECB CCOc1ccc(N2CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n3C2)cc1 2262853 IDBFJTHYEYVICM-NDENLUEZSA-N 455.536 2.218 10 40 JECB CN(C)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccccc3Cl)C1=O)n(C)c(=O)n2C 408535756 ZZIWDJNWPLWNHS-VAWYXSNFSA-N 468.901 2.175 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734272 PEVDXMBVLUCCRF-QHCPKHFHSA-N 465.598 2.039 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCCN3C)CC1 22734980 NEPFCVQOKQSJAP-XMMPIXPASA-N 484.044 2.444 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1F 23080603 WTOWCTMBQWUTQF-OAQYLSRUSA-N 450.580 2.167 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)[C@H](C(=O)N(C)C)C2)cc1 257207670 BIRPPWYMMSOFMH-QHCPKHFHSA-N 464.570 2.108 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)O 9259816 KNJIISQSCKRPMN-UUILKARUSA-N 474.809 2.207 10 40 JECB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 12557429 AYHNQRUBBGKWSY-NRFANRHFSA-N 452.555 2.365 10 40 JECB Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16022134 ZLTOLWCUPRACIL-TXDLGXNGSA-N 461.518 2.312 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675072 GOSOGSHXPSBOEA-LEWJYISDSA-N 481.509 2.132 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc(N(C)C)cc2)CC1 22809556 HNCXXVBFIQHNOL-QFIPXVFZSA-N 458.006 2.127 10 40 JECB COC(=O)c1ccc(C(=O)OC)c(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 100050472 KEZJTZQNDCLRDB-OTXPQFFASA-N 453.411 2.109 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCN4CCOCC4)c4ccccc34)[C@H]21 1616044643 MPBYVEAVPZDIKD-SANMLTNESA-N 473.577 2.237 10 40 JECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 12533820 BQTZIOOEAGSXKR-QFIPXVFZSA-N 473.595 2.253 10 40 JECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCOCC3)ccc21 21887047 PQUXWMXNSJXUCJ-QFIPXVFZSA-N 458.509 2.475 10 40 JECB CCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 57427281 HQGNAKAEYMKVFQ-UHFFFAOYSA-N 456.568 2.382 10 40 JECB CN1CCN(c2cc3[nH]c(O)nc3cc2N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)CC1 408537022 YVBOHWKUYKGYLZ-QINSGFPZSA-N 495.927 2.253 10 40 JECB CN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778011 UAIRMLOJLYYAOF-NDENLUEZSA-N 481.530 2.264 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccc(F)cc1 16034082 OYWBHZFPCVDCEA-YRCDICCDSA-N 487.487 2.400 10 40 JECB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409127709 JMFITQBGIGZGAY-XDHOZWIPSA-N 461.540 2.199 10 40 JECB COc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2OC)cc1 3266207 RGGCIKZNEMXQMZ-UHFFFAOYSA-N 453.451 2.155 10 40 JECB CC(=O)OCC(=O)CCNc1ccc(NCCC(=O)COC(C)=O)c2c1C(=O)c1ccccc1C2=O 4880326 MIHOLLJRIHFJNP-UHFFFAOYSA-N 494.500 2.330 10 40 JECB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408950439 KGAZXPSLABTFGU-WLRTZDKTSA-N 488.836 2.296 10 40 JECB COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19222027 HLTZSYHESBUCLD-DEOSSOPVSA-N 489.580 2.390 10 40 JECB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733942 DHDBBWNLJLMZLQ-HSZRJFAPSA-N 452.555 2.206 10 40 JECB Cc1cc(N2C(=O)NC(=O)/C(=C\Nn3c(C)nc4ccccc4c3=O)C2=O)ccc1Br 408531234 NOWBUMJHDLWVFH-XNTDXEJSSA-N 482.294 2.486 10 40 JECB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 2396688 DPMFWPHVOKIIKI-NTEUORMPSA-N 491.241 2.276 10 40 JECB COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccco1 41077844 ZFIZMFAHNFGOCJ-GDGARQCUSA-N 474.476 2.129 10 40 JECB COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccc(OC)cc2)CC1 19973075 QXQHDMYSPPKKCI-DEOSSOPVSA-N 489.580 2.390 10 40 JECB COc1ccc(N2CCN([C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1 20057785 BKXPHEILLJNLNP-OAQYLSRUSA-N 453.539 2.205 10 40 JECB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 409401718 ZFRJRZZVKVAGQZ-UYRXBGFRSA-N 451.460 2.233 10 40 JECB CC(C)CC(=O)NN1C(=O)/C(=C2\SC(=S)N(NC(=O)CC(C)C)C2=O)SC1=S 8870056 SHKRDPARLXIVCE-VAWYXSNFSA-N 460.628 2.073 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 9728140 YROHFXSBWZKXHE-STZFKDTASA-N 488.500 2.175 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC 22735553 DDGDUALLJKPRNO-QHCPKHFHSA-N 488.654 2.353 10 40 JECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c1C 408527335 DIURAKYDFSPECB-QINSGFPZSA-N 462.510 2.139 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(C)CC3)C2=O)cc1C 408526648 BXKXZJQVEJIURJ-GHRIWEEISA-N 489.536 2.216 10 40 JECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OC(C)C 408872412 MUZYREZKAJVVCY-UHFFFAOYSA-N 460.293 2.391 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2357067 AQQOWWPJLPSZNX-LGMDPLHJSA-N 474.608 2.467 10 40 JECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)c2ccc(F)cc2)CC1 100149249 SQVJWCWLTFSAAN-JWGURIENSA-N 480.500 2.388 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801233 HUBFXFKAMYBONC-LEWJYISDSA-N 481.509 2.132 10 40 JECB COc1ccccc1N(CCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 222951840 PDOKCLQXWWATPS-UHFFFAOYSA-N 474.627 2.310 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 67689567 HHBFSPLVMQOTOZ-XMMPIXPASA-N 496.564 2.316 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCCc3ccccc3)CC2)cc1 4039414 QJUIWMQTUCIQJI-UHFFFAOYSA-N 488.592 2.402 10 40 JECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 16431234 QRYPUIFXYWSUEW-JYRVWZFOSA-N 490.266 2.274 10 40 JECB CCCCCCN1C(=O)NC(=O)/C(=C/NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 20410721 NUISROJODGIQFP-WBILKINKSA-N 472.542 2.085 10 40 JECB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223054482 FZSLFLPVRUHWON-HSZRJFAPSA-N 474.627 2.308 10 40 JECB CCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 8858096 ZSUZVYPXWGFOON-SSZFMOIBSA-N 462.597 2.425 10 40 JECB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968422 YTLPCBZURLLNFR-DEDYPNTBSA-N 464.503 2.408 10 40 JECB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409237630 KHFFWCNQBJPVGW-XMHGGMMESA-N 450.495 2.372 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204871 UPGZPXAGDXIZKU-QFIPXVFZSA-N 454.502 2.438 10 40 JECB Cc1ccc2nc(N3CCN(CCO)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 20081077 SORCTMMNWAABBS-RGEXLXHISA-N 499.662 2.261 10 40 JECB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21 10435052 MMZXXNYWEQFBGK-UHFFFAOYSA-N 450.472 2.202 10 40 JECB CCCOc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 408884511 UIONDRNAGZJRQW-UHFFFAOYSA-N 460.293 2.393 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)cc1 9189976 IMMVCWQIBVQMNF-VXKWHMMOSA-N 466.538 2.232 10 40 JECB COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1 23408556 DOEXBVBSHCGRCP-XMMPIXPASA-N 452.511 2.013 10 40 JECB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 223526068 NCBPZSLHHDZVEV-UHFFFAOYSA-N 461.584 2.492 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 585282336 HVZQQUPNQVLXDN-RUZDIDTESA-N 478.536 2.447 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCCN3C)CC1 22735151 QMDVZRMFWDJOKP-QHCPKHFHSA-N 453.562 2.252 10 40 JECB COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(OC)cc4)c(N)n3)CC2)cc1 71772057 FQMREUVMHLWKBX-UHFFFAOYSA-N 455.540 2.235 10 40 JECB COc1cccc(N(CCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 223566695 XTSANGLQHMCJBG-UHFFFAOYSA-N 474.627 2.310 10 40 JECB CN1CCN(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 8820022 JGEPPAJBTNKTLM-RGEXLXHISA-N 476.624 2.456 10 40 JECB COc1ccccc1/C=C1\SC(=S)N(NC(=O)Cc2nn(C)c(=O)c3ccccc23)C1=O 8861371 NHSRSSPYSMWUEJ-WQRHYEAKSA-N 466.544 2.417 10 40 JECB COc1ccc(N2CCN(C(=S)NC(=O)c3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1 14269049 PPQJUXZTGJJJBV-UHFFFAOYSA-N 460.512 2.458 10 40 JECB COCCN1C(=O)/C(=C\NCCSc2ncc(C(F)(F)F)cc2Cl)C(=O)NC1=S 102892686 WJEFGDWUYACLQI-NTMALXAHSA-N 468.910 2.209 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(N)=O 409225248 NRJSIHCJGIZHHM-AWNIVKPZSA-N 492.257 2.127 10 40 JECB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)N1CCOCC1 107609682 HSPVETIBAJQQAQ-QNGOZBTKSA-N 477.517 2.123 10 40 JECB COc1ccc(N2CCN(C(=O)CCCN(c3ccc4c(c3)OCCO4)S(C)(=O)=O)CC2)cc1 224308809 DPPQXRSLEQAZMK-UHFFFAOYSA-N 489.594 2.361 10 40 JECB CN(C)c1c(I)cc([C@@H]2NCCC(=O)N2)cc1I 408736719 GDXPLQUXZUEFHK-GFCCVEGCSA-N 471.080 2.070 10 40 JECB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1=O 8883343 XPARCWXTYTYMAT-MHZLTWQESA-N 497.463 2.117 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(OC)c1 22735602 QQLWFMZJAYZTPR-QHCPKHFHSA-N 488.654 2.353 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1Cc1ccccc1 16034018 BGFKFJZQPNMPCI-JYYLQKJRSA-N 487.487 2.400 10 40 JECB COc1ccc(N2CCN(C(=O)COC(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 3476442 YSTZZYBTABVIRD-FQEVSTJZSA-N 455.536 2.390 10 40 JECB COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)CCOc4ccccc43)CC2)cc1 32764247 NOGQVRBVVBXNIJ-UHFFFAOYSA-N 452.555 2.139 10 40 JECB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCn4c(nnc4C(F)(F)F)C3)c2oc1=O 95477425 APINARFHXYYNPN-UHFFFAOYSA-N 452.389 2.149 10 40 JECB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 408536767 XYCPQGCIPXBNEV-BMRADRMJSA-N 474.521 2.446 10 40 JECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccc(I)cc1 408764228 LTOUTBOHYXXXBF-UHFFFAOYSA-N 491.241 2.058 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)CCN3C)CC1 22734354 IHQPQGXBICXHKF-JOCHJYFZSA-N 457.525 2.001 10 40 JECB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 409183554 DAQWXBQGQGBAEX-RQZCQDPDSA-N 452.419 2.412 10 40 JECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(N)=O 108250495 OPMYVKVPJJDYSY-ZSOIEALJSA-N 460.284 2.173 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)CC2)cc1 51316921 LJJNMYLGNHXWJD-UHFFFAOYSA-N 462.485 2.055 10 40 JECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100771370 NPWSWQCSIQQZGY-SAPNQHFASA-N 461.478 2.462 10 40 JECB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)O 409092605 VQPPDWYIMXWUSR-WUXMJOGZSA-N 490.275 2.260 10 40 JECB COc1cc(/C=C2/SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc(OC)c1OC 1767148 RZCYMSLMIGTTST-MDWZMJQESA-N 453.567 2.133 10 40 JECB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C1=O 8883347 XPARCWXTYTYMAT-HHHXNRCGSA-N 497.463 2.117 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958676 IXPGAMUPYUVAMZ-YRCDICCDSA-N 469.497 2.261 10 40 JECB biogenic NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409225351 ORHYDWVRPJTJAQ-UUILKARUSA-N 479.232 2.432 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 28210126 QBPNEGWWZZIGKQ-NRFANRHFSA-N 487.578 2.041 10 40 JECB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4cccc(F)c4)C3)CC2)cc1 56925366 ORBZWKFHGHFYBF-IBGZPJMESA-N 455.534 2.061 10 40 JECB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)O 409060165 YBFJFRAUJXOWEZ-NVNXTCNLSA-N 455.379 2.123 10 40 JECB COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1C 9546085 IKBQMIBGNYXUAD-UHFFFAOYSA-N 458.496 2.151 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 9259908 DSMVZOBEKJQPPA-KGENOOAVSA-N 472.501 2.475 10 40 JECB COC(=O)C[C@H](c1cnn(C)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96115327 SUHOTZZYAPLJEF-GFCCVEGCSA-N 468.418 2.417 10 40 JECB biogenic COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 2117015 VKRVWENEWDBMJQ-VGSSETLESA-N 463.537 2.339 10 40 JECB CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OC)=C(C)N=3)c1C 35677735 LJFOFUZRXQVZLL-VLOXRPPESA-N 479.606 2.307 10 40 JECB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 3845630 KNOPLTLNHVQOBW-AQRXXJNJSA-N 474.473 2.461 10 40 JECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21 8964079 HLOCWSJDPVEIPD-OAQYLSRUSA-N 450.539 2.342 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 22735460 ZOXCIDFNMBDDPH-JOCHJYFZSA-N 475.611 2.438 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 16032777 PBDRLXZCKKPBLM-GDNALLQQSA-N 461.518 2.394 10 40 JECB biogenic COc1ccc(N2CCN(C(=O)CCc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2)cc1 225779291 PVDIUSNXYDJGEF-UHFFFAOYSA-N 461.584 2.236 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)c(OC)c1 409230681 FIQNAFNNGATIPY-XBUHWIKASA-N 470.434 2.231 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 585281804 AZERALNMPAHJQG-AHWVRZQESA-N 456.583 2.212 10 40 JECB Cc1cc(C(=O)C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(N2CCOCC2)cc1 8873916 SIPGGZDOZPIXEO-UHFFFAOYSA-N 453.539 2.479 10 40 JECB CCN(/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 30819313 ZSNCGYYCHHGAPD-BRYHAGSVSA-N 470.638 2.457 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(OC)c2)C1=O 2195319 COXPCPFIFVGUGZ-ITICKHJUSA-N 462.462 2.017 10 40 JECB Cc1cc(/C=C/C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2 24573582 DBSFGRJMLCPUJV-YIEJHSOVSA-N 471.579 2.167 10 40 JECB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 223054537 FZSLFLPVRUHWON-QHCPKHFHSA-N 474.627 2.308 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(O)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409144468 LGODINDVVBFIGQ-IDQDRXHYSA-N 495.513 2.426 10 40 JECB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1 409251247 UGOJIRXEBGOIGI-JASJWYONSA-N 456.476 2.387 10 40 JECB NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409225330 MWXGQNPDHREUPJ-LFYBBSHMSA-N 450.234 2.230 10 40 JECB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N(C)C)cc3Cl)CC2)cc1 28208026 IWAZEJQWNVWDMF-UHFFFAOYSA-N 467.975 2.327 10 40 JECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409084402 XEDVBNKVIBXRIN-UHFFFAOYSA-N 450.856 2.256 10 40 JECB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(OC)cc4O)N[C@@](CCSC)(C(=O)O)[C@@H]3C2=O)cc1 19848583 XFHSYDWHPZOBMB-PWSZPPJVSA-N 486.546 2.436 10 40 JECB COc1ccccc1N1C(=O)C(=CNCCN(C)C)C(=O)N(c2ccccc2OC)C1=S 19996777 YVWBZTFHTFIDCU-UHFFFAOYSA-N 454.552 2.404 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OC 409389392 AWRBPYDXKMHXPC-KPKJPENVSA-N 479.230 2.370 10 40 JECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1 1103015 DYCGEQPFTWEACT-UHFFFAOYSA-N 490.335 2.390 10 40 JECB COCCN(C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9748731 GJBOEYASVKPITI-BQYQJAHWSA-N 480.997 2.282 10 40 JECB COc1ccc(OC)c(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 100587508 YMOBNKQXTQKQFD-GHRIWEEISA-N 493.545 2.245 10 40 JECB CCc1nnc(NC(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2)s1 408531668 LCKMMDPDBPTRJH-ATVHPVEESA-N 492.517 2.940 10 40 JECB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 9585164 HYDMIWXVYOSCFQ-UHFFFAOYSA-N 479.986 2.332 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(OC)c1 22735722 DMWJCTGLKAJGQN-OAQYLSRUSA-N 461.584 2.048 10 40 JECB CCn1c(=O)c(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 100192786 JOBHPLMOYSAYCG-QINSGFPZSA-N 456.458 2.202 10 40 JECB COCCn1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(c2ccc(OC)cc2)CC1 13504315 MOGUHIGJTFVCPO-JOCHJYFZSA-N 468.558 2.257 10 40 JECB CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 13504424 CBCDYICNUNKFEQ-IFMALSPDSA-N 465.558 2.059 10 40 JECB CSCC[C@]1(C(=O)O)N[C@@H](c2ccc(O)cc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 19972696 KKHQMUOUNGXXQT-YWNPBTLJSA-N 456.520 2.120 10 40 JECB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)Nc3cccc(Cl)c3)CC2)cc1 9060920 ROGLRDDDGGZBAP-NRFANRHFSA-N 485.972 2.420 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 248136166 MZZICIIDVQYQOR-KFKAGJAMSA-N 461.430 2.005 10 40 JECB Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(=O)n(-c2ccccc2)n1C 13810153 OVVBPQTWTIHWFQ-NTCAYCPXSA-N 451.483 2.367 10 40 JECB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NCc3ccco3)CC2)cc1 22698803 TYTXFGQEFMAGDS-UHFFFAOYSA-N 466.538 2.097 10 40 JECB CC(=O)N1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 35575692 IHNFFVYYGZZHHS-YLZXAQRJSA-N 455.311 2.387 10 40 JECB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9438797 YKAKRABAHJCRQZ-UHFFFAOYSA-N 467.441 2.297 10 40 JECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccccc1I 408752740 GLYGNPPGXGZLJK-UHFFFAOYSA-N 491.241 2.058 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=S)N(C4CCCCC4)C1=O)N(C)CC3)OCO2 2145940 ULRBNGIMRKCHGI-ABPVARSCSA-N 486.594 2.002 10 40 JECB CC(C)N1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2371437 HUNDQRUXOFRUFI-PTNGSMBKSA-N 457.581 2.006 10 40 JECB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409242355 REQHCZIWADIIQV-CPNJWEJPSA-N 485.949 2.409 10 40 JECB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007328 IOTZIKMCRNMJTA-QFIPXVFZSA-N 452.555 2.206 10 40 JECB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838393 MSRYKHRTUUFWEZ-XMMPIXPASA-N 450.583 2.183 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801229 HUBFXFKAMYBONC-NHCUHLMSSA-N 481.509 2.132 10 40 JECB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C(=O)NC2=S)cc1 9310876 UCJQNOVEEMPMLI-BOPFTXTBSA-N 470.503 2.477 10 40 JECB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22734517 DWSDJEIKDFWHLS-QFIPXVFZSA-N 486.016 2.384 10 40 JECB COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6135861 JIUVTLRXNNQWNU-FQEVSTJZSA-N 496.593 2.041 10 40 JECB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)s2)c1 223359008 ZBNQMYNFCUCMOU-UHFFFAOYSA-N 486.623 2.329 10 40 JECB C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 113957776 NKPACYHUHYNIBT-OAHLLOKOSA-N 453.511 2.272 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(Cl)cc3)CC2)cc1 8611446 LSQKHYKLWAVACL-UHFFFAOYSA-N 451.976 2.159 10 40 JECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCN(CCO)CC4)c4ccccc34)[C@@H]21 1565524868 RPFPHWLFQRZYOE-HHHXNRCGSA-N 487.604 2.315 10 40 JECB CCC[C@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 6577554 RLSPUGROUIKIDX-XHOYROJHSA-N 454.479 2.483 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)N4CCOCC4)cc3)C2=O)cc1 408535159 XUOHODZZCPGWIV-HMMYKYKNSA-N 464.478 2.137 10 40 JECB O=C(O)CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)O)c3ccc(Br)cc32)SC1=S 2302076 ZQBWQDOEIBAZOP-BUHFOSPRSA-N 485.337 2.317 10 40 JECB COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21 6136188 GUIKTKUFLWJGGV-CPNJWEJPSA-N 462.531 2.235 10 40 JECB Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13038320 APHXCGHLSBMFMY-UHFFFAOYSA-N 480.590 2.382 10 40 JECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104204029 KBLWUZOOAKHEOO-OIUDPUMTSA-N 464.467 2.183 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCC1 16022056 OKOCAXPIBDFVIT-DNBVQBCISA-N 465.481 2.143 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 19361372 HOTPAPZVWJPUEF-RNIVLKNTSA-N 498.923 2.363 10 40 JECB biogenic COCCN1C(=O)/C(=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C 408877248 UNAHRDVLETYRML-DEDYPNTBSA-N 474.535 2.386 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(F)c(F)c(F)c4)C3)CC2)cc1 585282030 GCUQXTUUDVHNJQ-DHLKQENFSA-N 496.526 2.321 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccc(C)cn3c2=O)SC1=S 2426641 SFTSXZRTLIYKES-PTNGSMBKSA-N 462.622 2.404 10 40 JECB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 10113654 FBHVKHCYWPKAPV-UHFFFAOYSA-N 459.568 2.246 10 40 JECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 108286877 PQHDBEONAUJNBF-NTUHNPAUSA-N 463.240 2.256 10 40 JECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409018991 ZVZXZRCEVAGGES-DZSVRRGNSA-N 493.516 2.386 10 40 JECB COCCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409142963 GECJRFVLQDUZJM-KGENOOAVSA-N 474.517 2.456 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(N)=O 409228040 ZKSNNVCJUKYRKU-VIZOYTHASA-N 457.870 2.496 10 40 JECB O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 3067184 WYHPFDPQGCTNBG-UHFFFAOYSA-N 481.353 2.077 10 40 JECB CCN1C(=O)C(=Cc2c(C)n(CC(=O)NCCCOC)c3ccccc23)C(=O)N(CC)C1=S 8450550 VBXWVCXAXPARPH-UHFFFAOYSA-N 470.595 2.481 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22734501 MIPKVOFYRFGTNB-QHCPKHFHSA-N 470.017 2.053 10 40 JECB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 18220117 LWCWDUXJHLIDEX-XMMPIXPASA-N 494.592 2.306 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 33547154 YZFMAMAFZFRERV-HNNXBMFYSA-N 482.400 2.473 10 40 JECB COCCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C(C(=O)OC)=C1C 409185302 WFQRWEUIHBFFOO-FYJGNVAPSA-N 495.532 2.470 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1\C(=O)NC(=O)N(c4ccc(C)cc4)C1=O)[N+](C)(C)CC3)OCO2 2106933 CCIUEOWXVQICAQ-IBGZPJMESA-O 493.540 2.162 10 40 JECB biogenic CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733945 DHDBBWNLJLMZLQ-QHCPKHFHSA-N 452.555 2.206 10 40 JECB CC1=NN(C(=O)c2ccccn2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104237433 VOQYZWTZCQQUPX-QDVZYSMTSA-N 464.467 2.183 10 40 JECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br 408692318 JRBAGOOVAVFJPS-MDWZMJQESA-N 451.273 2.405 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1OC 409223567 GZPKFIPHPIXGOP-GZTJUZNOSA-N 453.451 2.015 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)cc1 585287290 MELNKMOQSINJDI-AREMUKBSSA-N 456.583 2.477 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)c(OC)c1 19817821 PDRUQBVXNVMOOZ-GOTSBHOMSA-N 496.564 2.241 10 40 JECB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl 409222396 WZHZTDZXOCVXRN-UHFFFAOYSA-N 454.932 2.411 10 40 JECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 10232926 ICXKTODXZHFIEE-UHVIJJLKSA-N 468.622 2.322 10 40 JECB COc1ccc(CCN2C(=O)NC(=O)/C(=C/Nc3ccc4oc(=O)ccc4c3)C2=O)cc1OC 101439778 KKYRGOYJDPKWBG-LGMDPLHJSA-N 463.446 2.427 10 40 JECB COCCn1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(c2ccc(OC)cc2)CC1 13504314 MOGUHIGJTFVCPO-QFIPXVFZSA-N 468.558 2.257 10 40 JECB COc1ccc(N2CCN([C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)CC2)cc1 8672222 BKXPHEILLJNLNP-NRFANRHFSA-N 453.539 2.205 10 40 JECB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 28627775 NHSSIMREKCPHKV-VOSMRYOYSA-N 463.559 2.483 10 40 JECB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 8898191 WRFGVEVBPXFTFB-UHFFFAOYSA-N 469.523 2.083 10 40 JECB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@@H]13)O2 253403865 QPEXBUWDDJASDK-FUDKSRODSA-N 477.561 2.331 10 40 JECB O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 16032778 PBDRLXZCKKPBLM-TXDLGXNGSA-N 461.518 2.394 10 40 JECB biogenic CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20548543 NZWAHZQUPJZOFJ-MDTICMOCSA-N 453.470 2.000 10 40 JECB COc1ccc(N/C=C2/C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c(OC)c1 101074024 BLCIRVYPZAKUMQ-SSZFMOIBSA-N 455.467 2.338 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735562 POWHWRQUTMEBQC-XMMPIXPASA-N 458.628 2.345 10 40 JECB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 9634061 ZHTSNUJBAXWCHB-UHFFFAOYSA-N 499.564 2.114 10 40 JECB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 10113606 YIGOJDCWXPCBBG-UHFFFAOYSA-N 462.528 2.286 10 40 JECB O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O 21992196 ZJONSYFOVDKINV-LAUBAEHRSA-N 458.375 2.233 10 40 JECB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(I)c1O 36613134 MQHCBPXPWXYZJA-RUDMXATFSA-N 451.263 2.291 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OCC)c3)C2=O)cc1OC 409224217 KGUUIJBEJOSNQJ-GZTJUZNOSA-N 497.504 2.413 10 40 JECB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1-c1ccc2c(c1)OCO2 9222607 ORJKMMXMQMZMSH-UHFFFAOYSA-N 457.508 2.118 10 40 JECB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3c(C)cccn3c2=O)SC1=S 20065185 BVSMRXIPOQPSRI-VVZNPABPSA-N 487.651 2.117 10 40 JECB Cc1cc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9634068 XLFYQJKOHDJQKN-UHFFFAOYSA-N 454.487 2.417 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 19361798 XXYOYPCHRJQHRH-OOXMNIKJSA-N 498.923 2.363 10 40 JECB biogenic COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 23857620 MIYXQCCAGHODQY-OAQYLSRUSA-N 472.973 2.469 10 40 JECB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)cc1C 409237417 IOGHVHGADGJKTP-KGENOOAVSA-N 479.558 2.372 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4cccc(Cl)c4)C1=O)N(C)CC3)OCO2 19361097 PRRMHMWHKWJYKF-RNIVLKNTSA-N 498.923 2.363 10 40 JECB biogenic COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 34388031 UTWFRXBITZFWEW-TUQWILOLSA-N 457.493 2.096 10 40 JECB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 2076577 BLCXQPUKYPHRQT-YBFXNURJSA-N 451.479 2.454 10 40 JECB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 9064475 MVOBSYOLXAHAGE-UHFFFAOYSA-N 460.512 2.458 10 40 JECB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21887059 ATWMZOIJBOOBHC-HSZRJFAPSA-N 452.555 2.206 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735114 DPQLLWSCSIPZDB-VWLOTQADSA-N 467.658 2.480 10 40 JECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl 224764815 XHEUNNWHJRAGGO-UHFFFAOYSA-N 451.976 2.255 10 40 JECB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 113966399 KAYYGLUSZFJIEK-UHFFFAOYSA-N 489.594 2.157 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1C 409228290 WUEKXUYZCATRNI-KGENOOAVSA-N 463.490 2.207 10 40 JECB O=C(O)CN1C(=O)/C(=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c2ccccc21 8821920 CPCIJYPFQOURMF-VXPUYCOJSA-N 466.494 2.420 10 40 JECB COC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCO4)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 12372148 GOJVDSNUPDDGDP-UHFFFAOYSA-N 455.448 2.480 10 40 JECB CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 225474177 LNNZENIJGKLDDI-UHFFFAOYSA-N 456.612 2.156 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 23857765 BLNOIWUDSDJLDZ-JOCHJYFZSA-N 455.990 2.376 10 40 JECB COC(=O)c1sc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(=O)OC)c1C 32814184 HHVAHINXCHHEAX-UHFFFAOYSA-N 482.580 2.287 10 40 JECB Cn1c(=O)n(C)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c(Br)cc21 408528227 FQGBGRZYALDPBS-ZRDIBKRKSA-N 470.283 2.218 10 40 JECB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2713253 QEAIRQATOKTVNI-HNDQUVLASA-N 462.597 2.423 10 40 JECB O=C1CSC(=O)N1CCN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 12080357 XATNORJPZLREBY-BTRCSAGASA-N 487.584 2.267 10 40 JECB CCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 33724320 CMOWGOYQCVXMST-LKKYZFDUSA-N 478.621 2.295 10 40 JECB CCN(/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 101473062 ZSNCGYYCHHGAPD-GYZOOYGHSA-N 470.638 2.457 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 67689566 HHBFSPLVMQOTOZ-DEOSSOPVSA-N 496.564 2.316 10 40 JECB CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 225514230 SQJWBKZSPTUIOO-NRFANRHFSA-N 456.612 2.156 10 40 JECB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 9234435 PYQRCIBIGBDBFI-LICLKQGHSA-N 486.458 2.238 10 40 JECB COc1ccc2ccc(O)c(CN3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cn4)CC3)c2c1 14268040 UWXWWPSOWYLBBG-UHFFFAOYSA-N 498.605 2.292 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1OC 409217933 FUKVWGGUPDVNNG-MHWRWJLKSA-N 483.477 2.023 10 40 JECB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1 408530135 ITNHAVKALMXATE-SAPNQHFASA-N 474.521 2.364 10 40 JECB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 12636871 SAAMBDOQRRVKRB-UHFFFAOYSA-N 497.573 2.476 10 40 JECB CCC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 19848917 RLSPUGROUIKIDX-CMCWBKRRSA-N 454.479 2.483 10 40 JECB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCCCCC1 38168237 TXLUGVCONIURCM-KAMYIIQDSA-N 454.268 2.343 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 59418541 VIOYVRIDZZMVTQ-PGNDWZGLSA-N 482.518 2.366 10 40 JECB CCOc1ccc(N2C(=O)/C(=C\Nc3cc(NC(C)=O)cc(C(=O)O)c3)C(=O)NC2=S)cc1 9471645 SQHRMIDYGVAWQZ-WQRHYEAKSA-N 468.491 2.486 10 40 JECB C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223345330 HBTADEVKJYDCSN-INIZCTEOSA-N 466.554 2.188 10 40 JECB COc1ccc(CN2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 102641287 FNMNMAGGCMFWKG-UYRXBGFRSA-N 461.478 2.067 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 33547153 YZFMAMAFZFRERV-OAHLLOKOSA-N 482.400 2.473 10 40 JECB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1O 56978329 ODXUGEKGBXCRCV-KRWDZBQOSA-N 461.496 2.315 10 40 JECB CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CC)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c1 8870432 KIHDOHVZKHZVDC-AWEZNQCLSA-N 488.506 2.376 10 40 JECB CCN(C(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 28297004 WJMKXRNWCWFKII-YSKWHIJTSA-N 468.622 2.322 10 40 JECB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409133209 PEZAPKYMQQIUJB-UYRXBGFRSA-N 454.458 2.202 10 40 JECB COc1ccc(CN2C(=O)[C@@H]3[C@@H](Cc4ccc(O)c(O)c4)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 20611894 LDFXBRDZTOCKRE-IGGVYQGESA-N 499.523 2.270 10 40 JECB biogenic COc1ccc(N2CCN(CC(=O)Nc3ccc4nc(C)[nH]c4c3)[C@@H](C(=O)N(C)C)C2)cc1 257304947 SNVHFVBYIQBJNH-JOCHJYFZSA-N 450.543 2.097 10 40 JECB COc1ccc(N2CCN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 35376178 RTBXDDXUEZDAJL-UHFFFAOYSA-N 471.470 2.311 10 40 JECB O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S)c1ccccc1 40939883 BGMLWVAFZLYUTD-XMHGGMMESA-N 483.571 2.470 10 40 JECB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 224693581 HZPDGFRHMYEZQI-JOCHJYFZSA-N 461.584 2.393 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(F)cc(F)c4)C3)CC2)cc1 585284077 URPHAGLWYJCGPW-ZCYQVOJMSA-N 478.536 2.181 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2198774 NWEYXKGSLAWRRV-WJDWOHSUSA-N 471.608 2.314 10 40 JECB O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8825775 PEZZJBMKNVHBQF-UHFFFAOYSA-N 483.436 2.461 10 40 JECB CN(C)c1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4NC(=O)C(F)(F)F)nn3c2=O)cc1 16953052 GITPGUPSPRSBTR-WJDWOHSUSA-N 487.463 2.293 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22735565 POWHWRQUTMEBQC-DEOSSOPVSA-N 458.628 2.345 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccc(Cl)cc3)CC2)cc1 57016002 QFCGEJMHTPORKZ-UHFFFAOYSA-N 494.983 2.456 10 40 JECB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21 408902533 JGAWZCFSVAMFRH-NTEUORMPSA-N 455.268 2.306 10 40 JECB NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409222583 CIVSHBQSVVDBFN-LFYBBSHMSA-N 479.232 2.432 10 40 JECB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22735614 QIMXFGCKJYTGPQ-NRFANRHFSA-N 461.584 2.048 10 40 JECB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1 22735758 FOVFLCXTBIENCA-HSZRJFAPSA-N 472.611 2.298 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)nnc2n1 32941803 YOXPOQDWPSMQGA-UHFFFAOYSA-N 462.536 2.140 10 40 JECB COC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 35316276 SPUXLOSSCKPQGA-ZSOIEALJSA-N 461.268 2.471 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 21887072 GJYAFLGYAVIORT-JOCHJYFZSA-N 482.581 2.214 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc4nc(C)[nH]c4c3)[C@H](C(=O)N(C)C)C2)cc1 257304948 SNVHFVBYIQBJNH-QFIPXVFZSA-N 450.543 2.097 10 40 JECB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408774570 CHLNNKYERKYPMP-MOHXJTCPSA-N 484.549 2.212 10 40 JECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c(C)c1 408535729 ZWPWKHBPPPNBKA-FOWTUZBSSA-N 476.537 2.447 10 40 JECB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1 32099542 FLRMEFCLOOEBMI-WQRHYEAKSA-N 457.398 2.078 10 40 JECB O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O 21992193 ZJONSYFOVDKINV-DYESRHJHSA-N 458.375 2.233 10 40 JECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 34793022 KIICVVRYEZBNHD-ATVHPVEESA-N 486.322 2.148 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(OC)cc1 9189975 IMMVCWQIBVQMNF-YADHBBJMSA-N 466.538 2.232 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCCN3C)CC1 22735154 QMDVZRMFWDJOKP-HSZRJFAPSA-N 453.562 2.252 10 40 JECB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(N)=O)C2=O)cc1OCC 409222346 BWZZZGPCFIPZHN-SFQUDFHCSA-N 467.478 2.405 10 40 JECB CCc1cccc2c(/C=C3\C(=O)NC(=S)N(CCOC)C3=O)cn(CC(=O)N(CC)CC)c12 98086256 ANRHCCIMDCWNQX-CPNJWEJPSA-N 470.595 2.345 10 40 JECB CCOc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C(=O)NC2=S)c1 408741548 MRYRLSIFOCRJQN-AUWJEWJLSA-N 458.408 2.439 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)cc1 9191964 IMMVCWQIBVQMNF-FCHUYYIVSA-N 466.538 2.232 10 40 JECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)c2cccc(F)c2)CC1 100149243 VFEDWYDRKQFYJW-JWGURIENSA-N 480.500 2.388 10 40 JECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1 104204032 KBLWUZOOAKHEOO-QXXHGPKRSA-N 464.467 2.183 10 40 JECB COc1ccc(N2CCN(C(=O)CN3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 10056942 RBSIBESGCQHYTI-UHFFFAOYSA-N 486.638 2.049 10 40 JECB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21887061 ATWMZOIJBOOBHC-QHCPKHFHSA-N 452.555 2.206 10 40 JECB C[C@@H](CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21)S(=O)(=O)O 79565012 LFURIYIBNYWXSS-BFBVWJMCSA-N 460.580 2.379 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC 22735550 DDGDUALLJKPRNO-HSZRJFAPSA-N 488.654 2.353 10 40 JECB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1 409121175 WVBYZQXMHLTKGS-LDADJPATSA-N 465.466 2.271 10 40 JECB COCCCN1C(=O)/C(=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)C(C(=O)OC)=C1C 2818073 IOVUNPXCGSXPBX-ZHZULCJRSA-N 474.535 2.467 10 40 JECB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 16427970 FCFCELOZIXPATO-YFHOEESVSA-N 487.226 2.106 10 40 JECB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)Nc2ccccc2OC)c1C 17297259 VTHKUEARTMSFHG-UHFFFAOYSA-N 488.547 2.321 10 40 JECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)CC1 27530644 GMJFQMJOFSFPEK-SFQUDFHCSA-N 479.580 2.206 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(OC)c3)C2=O)cc1 409227757 WILMCLFPQCLTGE-OVCLIPMQSA-N 473.869 2.278 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc3c(c2)CCN3C)CC1 22734360 MWAUBWLJZVKGFY-JOCHJYFZSA-N 457.525 2.001 10 40 JECB COc1ccc(CCn2c(N3CCN(c4ccc(OC)cc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 9088878 YNLAGWFMCLSPRK-UHFFFAOYSA-N 490.564 2.010 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2331305 OAXKZVQCIHCLFH-PEZBUJJGSA-N 460.581 2.159 10 40 JECB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)N1CCCC1 409342266 AVWBUDPDXWAXMJ-MHWRWJLKSA-N 450.538 2.372 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 585284207 VSTNJCGNAWVBBJ-ZCYQVOJMSA-N 460.546 2.042 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)cc4F)C3)CC2)cc1 2037946981 SDNKALUBVABBBI-VWLOTQADSA-N 478.536 2.447 10 40 JECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 408956035 VSEPHIHOSZNMTL-XCVCLJGOSA-N 476.195 2.458 10 40 JECB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 931261 QGLDTSYWOHNEQZ-UHFFFAOYSA-N 467.613 2.237 10 40 JECB COc1cccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)c1 6182007 POIAOLAQNNVVBG-UNOMPAQXSA-N 453.520 2.372 10 40 JECB COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc(OC)c1OC 19893352 FBIGYENJSZQADL-LGMDPLHJSA-N 465.597 2.078 10 40 JECB O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408954781 SLSKKOFEGFNJKI-AWNIVKPZSA-N 489.234 2.308 10 40 JECB CCN1C(=O)C(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(=O)N(CC)C1=S 98086263 FCRUMMGGWNUSAJ-QGZVFWFLSA-N 468.579 2.315 10 40 JECB COc1cccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 113966454 RNSMGCOLFCAWDK-UHFFFAOYSA-N 461.584 2.394 10 40 JECB COc1ccc(CN2C(=O)NC(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 9043818 FNMNMAGGCMFWKG-CPNJWEJPSA-N 461.478 2.067 10 40 JECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OC(C)=O 408762604 PQGISQUAIKXOKH-SDQBBNPISA-N 460.249 2.332 10 40 JECB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NN1CCOCC1 12223365 HZABJFSCFXACRP-KAMYIIQDSA-N 456.387 2.404 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3cc(OCc4ccccc4)c(=O)cc3CO)CC2)cc1 71281558 SPQHQFJAVZHDCM-UHFFFAOYSA-N 463.534 2.277 10 40 JECB COc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1 107618715 IKAIIERNRHTXRK-UHFFFAOYSA-N 490.335 2.390 10 40 JECB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(C(C)C)C4=O)[C@@H]3C2)cc1 17043833 KPUCPTUDQNDECI-OFVILXPXSA-N 493.520 2.328 10 40 JECB CCCN1CCc2nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc(O)c2C1 67291866 MLTPGLRSGXBQCO-UHFFFAOYSA-N 457.600 2.400 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 1880162 RQXGDKVVTJMJNG-FNTDYBJHSA-N 496.570 2.434 10 40 JECB Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9124901 XKMOHALKAWXCCK-YWZLYKJASA-N 460.552 2.497 10 40 JECB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 63439858 NKJUHSQWXITWMK-UHFFFAOYSA-N 493.608 2.441 10 40 JECB COc1ccc(CN2C(=O)[C@@H]3[C@@H](Cc4ccc(O)c(O)c4)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15959448 LDFXBRDZTOCKRE-PKVHRPSESA-N 499.523 2.270 10 40 JECB biogenic COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 6144814 UTWFRXBITZFWEW-HOMCDIFHSA-N 457.493 2.096 10 40 JECB COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1OC 23080533 AMSQYYKAWFXTJC-OAQYLSRUSA-N 456.587 2.497 10 40 JECB CC[C@@](C)(CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCOCC1 31924769 MIRSEMFKSHOLNY-QFIPXVFZSA-N 492.554 2.332 10 40 JECB Cc1cc(C(=O)COC(=O)C[C@@H]2Oc3ccccc3NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12769935 OOXXYVZXZUWEHW-QFIPXVFZSA-N 497.529 2.257 10 40 JECB COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21 6136187 OUMSJOXRKRZZON-UDWIEESQSA-N 476.489 2.079 10 40 JECB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735840 ONKUNPFHVAOPNM-XMMPIXPASA-N 458.628 2.345 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57414845 SFHVJSQKXSRVDC-HSZRJFAPSA-N 466.538 2.307 10 40 JECB Cc1cc(C(=O)COC(=O)c2cccnc2N2CCOCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 23153122 BRSARZJMINYCLI-UHFFFAOYSA-N 498.561 2.013 10 40 JECB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc21 408534400 SFZYMHFJLAIXKT-SXGWCWSVSA-N 469.504 2.331 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2392400 NRJCWSNIFQXTOM-XYSGSMRZSA-N 450.426 2.148 10 40 JECB COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)NC(=O)N(C(C)C)C4=O)[C@H]3C2)cc1 9430396 KPUCPTUDQNDECI-PXDATVDWSA-N 493.520 2.328 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1 19817816 PDRUQBVXNVMOOZ-XZOQPEGZSA-N 496.564 2.241 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCN3C)CC1 22734384 BXDDXZPFAWZADH-JOCHJYFZSA-N 457.525 2.001 10 40 JECB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 40150315 VRELFKAZIILRID-UHFFFAOYSA-N 478.590 2.230 10 40 JECB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 12484839 NHCPYQHRYJMKAL-UHFFFAOYSA-N 461.569 2.208 10 40 JECB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 12516946 BCBXJHGUXQACCS-JIPXPUAJSA-N 492.576 2.490 10 40 JECB CCNc1nc(NCC)n2c(SCC(=O)NCCCn3c(C)nc4ccccc43)nnc2n1 59421238 VGNLUFPXNPRLHM-UHFFFAOYSA-N 468.591 2.340 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)c(F)c4)C3)CC2)cc1 585282341 HVZQQUPNQVLXDN-VWLOTQADSA-N 478.536 2.447 10 40 JECB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(OCCN4CCOCC4)cc3)cc2)C1 1655384852 VEIJMEVXPBGLLW-HSZRJFAPSA-N 452.599 2.389 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675078 GOSOGSHXPSBOEA-SFTDATJTSA-N 481.509 2.132 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)cc1 38851198 IFWYJFZAHIPNSW-HXUWFJFHSA-N 465.959 2.224 10 40 JECB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1 107934256 JIRQVPWMMVBPOR-LDADJPATSA-N 471.897 2.048 10 40 JECB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccnn4CC)c(=O)n32)cc1 2788452 DLMNEMOEYQIMMJ-QDUHJBTASA-N 479.606 2.471 10 40 JECB CC(C)CCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 8771778 PGXVECFFZPUBOK-SSZFMOIBSA-N 462.597 2.363 10 40 JECB CN1CCN(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1 12223367 YJXTYNAYTPYEIU-QINSGFPZSA-N 469.430 2.319 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OCC)c3)C2=O)cc1 409217163 AALCZJWLFKIUTJ-GZTJUZNOSA-N 453.451 2.015 10 40 JECB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2322936 MJUBLYVDTBYIGE-NTCAYCPXSA-N 470.311 2.079 10 40 JECB CCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccc(C)cn3c2=O)SC1=S 16733739 DRYIHOUXWKCUAH-WJDWOHSUSA-N 471.608 2.316 10 40 JECB COC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 107814553 PBJRLJLPUZQUNU-ZSOIEALJSA-N 476.239 2.371 10 40 JECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)cc1 409039741 DGAJMSCCNRQYSV-OQLLNIDSSA-N 458.810 2.256 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)c(OC)c1 408945269 NSCWOFNNUFXABE-NTUHNPAUSA-N 460.826 2.487 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(C)cc4)c3=O)CC2)cc1 1330703 FMGYVTOAMYYCKM-UHFFFAOYSA-N 458.522 2.248 10 40 JECB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCC(N)=O 9188739 JVSNAWCMEDJUSM-YVLHZVERSA-N 457.533 2.414 10 40 JECB CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21 6878851 RFQUTIGBGNGVPM-LZTQFINJSA-N 473.395 2.184 10 40 JECB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)OCCO2 9338591 KESVNOBXVLECLX-UHFFFAOYSA-N 483.912 2.149 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22735120 CFSBGDSLLXYDDI-QHCPKHFHSA-N 453.562 2.252 10 40 JECB COc1ccc(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 9012389 IPSRTEUZJDBFFI-QGOAFFKASA-N 463.519 2.237 10 40 JECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409008709 AZADQFMVQRLEAO-XSFVSMFZSA-N 481.505 2.244 10 40 JECB CCC[C@@]1(C(=O)O)N[C@@H](c2ccc(OC)cc2O)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 6577553 RLSPUGROUIKIDX-AZXNSQLWSA-N 454.479 2.483 10 40 JECB COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1 585281857 CUHOPLIPUDLOCT-AHWVRZQESA-N 474.573 2.351 10 40 JECB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1 9625978 WYUDHZKHCOYXCK-UHFFFAOYSA-N 498.001 2.001 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1/C(=O)NC(=O)N(c4ccccc4C)C1=O)N(C)CC3)OCO2 20411160 YPFSTCHJONPCIR-MUMAZLPKSA-N 478.505 2.018 10 40 JECB biogenic COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NC3CCCC3)CC2)cc1 22698795 DYLFQHALMNERIO-UHFFFAOYSA-N 454.571 2.247 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1OC 23080597 RIHLIENNUUKHBQ-NRFANRHFSA-N 462.616 2.037 10 40 JECB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 409246622 JQUVSALNLXTBMB-MOSHPQCFSA-N 466.494 2.072 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCCN3C)CC1 22735270 TXPTYYDFEDVCSS-XMMPIXPASA-N 484.044 2.444 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1 223520378 LMRKEALROPWRIS-OAHLLOKOSA-N 453.511 2.477 10 40 JECB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC[C@H]1CCCO1 15228159 DGZWSUZGKURVNN-MLHZQLSASA-N 476.489 2.192 10 40 JECB O=C(O)[C@@H]1CN[C@H](c2cc(I)cc(I)c2O)S1 408977567 IZNCXDNYXGJUBG-CBAPKCEASA-N 477.061 2.390 10 40 JECB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 23080593 XQWKJDMTJBRSHY-NRFANRHFSA-N 462.616 2.037 10 40 JECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3O[C@H](C)C(=O)O)C2=O)o1 34761248 XJTADXYKDAUDGH-DZZSIBQASA-N 457.439 2.077 10 40 JECB COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCOc3ccccc3)CC2)cc1 9849186 ITUXTHDTPUWPMZ-UHFFFAOYSA-N 490.564 2.228 10 40 JECB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 225870200 BUNTWQWFUUXPAT-UHFFFAOYSA-N 486.623 2.329 10 40 JECB COc1ccc(N2CCN(C(=O)CCn3cnc4cc(OC)c(OC)cc4c3=O)CC2)cc1 32104541 NPKYUMGHJYHSIY-UHFFFAOYSA-N 452.511 2.161 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 8858028 LYIULJXBMPAPTM-XNHXUMAHSA-N 460.581 2.156 10 40 JECB COCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 8858029 LYIULJXBMPAPTM-PJMOXLGBSA-N 460.581 2.156 10 40 JECB CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12561937 NVKOJFORPSUKDR-UHFFFAOYSA-N 459.568 2.241 10 40 JECB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 10113353 SENOAZPGGFSOGJ-UHFFFAOYSA-N 467.975 2.268 10 40 JECB NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 107931203 HDXJAGQMUAWFHD-SDQBBNPISA-N 450.676 2.428 10 40 JECB COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(C)cc4)C3)CC2)cc1 585283517 RMOYJENTDMOEGO-SANMLTNESA-N 456.583 2.477 10 40 JECB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc(Cl)c3)CC2)cc1 9926436 VDEBESSQNCBWDY-NRFANRHFSA-N 470.957 2.028 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(OC)c(OC)c1 19817814 PDRUQBVXNVMOOZ-DHIUTWEWSA-N 496.564 2.241 10 40 JECB Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCCO2 28273243 RTDIFCCNVPADOY-UHFFFAOYSA-N 455.536 2.485 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 408598058 ZEFDZVAMCUNHPU-HNNXBMFYSA-N 467.975 2.373 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1OC 19817972 MFPKJXBDDQTXDZ-YADHBBJMSA-N 466.538 2.232 10 40 JECB CC(C)N1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 20101207 VQWIMDRYPWAXPI-VKAVYKQESA-N 473.624 2.438 10 40 JECB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104076387 MZZICIIDVQYQOR-LZQZEXGQSA-N 461.430 2.005 10 40 JECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408774585 CHLNNKYERKYPMP-ZPSYGUFNSA-N 484.549 2.212 10 40 JECB O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2o1 95475177 DCKKVHCNLXXSHN-SFHVURJKSA-N 454.548 2.470 10 40 JECB biogenic COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735547 UNSVUVBHFCHMAS-QHCPKHFHSA-N 488.654 2.353 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@H](C)C(=O)NC(C)C)cc3)CC2)cc1 408603419 JTTQGMFIKGDDAP-GOSISDBHSA-N 461.584 2.498 10 40 JECB COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 8442820 XANVGENGDJPQIA-OBGWFSINSA-N 484.534 2.449 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)cc1 408531708 LGSIKJQDFLGYFU-VKAVYKQESA-N 490.520 2.065 10 40 JECB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OCC 15227042 WDXJOVDXVXCCBY-IZZDOVSWSA-N 471.329 2.046 10 40 JECB Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1C 16267924 UWTUMQGYKBOZBX-ZROIWOOFSA-N 493.339 2.292 10 40 JECB O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 3067182 KKUVFXPXTWERON-UHFFFAOYSA-N 481.353 2.077 10 40 JECB COc1ccc(-c2coc3c(CN4CCN(S(=O)(=O)N(C)C)CC4)c(O)ccc3c2=O)cc1 95472552 HXDPUMUJLVWPQH-UHFFFAOYSA-N 473.551 2.098 10 40 JECB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(O)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409144476 LGODINDVVBFIGQ-KEBMYNNESA-N 495.513 2.426 10 40 JECB CCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 8858358 GEZJCKSOJORHCW-VBKFSLOCSA-N 462.597 2.425 10 40 JECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C2=O)cc1 9310770 PLJTZTNXIPARPS-GZTJUZNOSA-N 454.435 2.312 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCC1 16022054 OKOCAXPIBDFVIT-ZPIFVSINSA-N 465.481 2.143 10 40 JECB COCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2351966 DKAAFBPMMFXNSL-SQFISAMPSA-N 462.622 2.485 10 40 JECB C[C@]1(C(=O)O)N[C@H](c2ccc(O)cc2O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 101995513 RDAKYKIUVBXMMM-MFCZKXCZSA-N 461.268 2.154 10 40 JECB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 2359262 GCKIKDDQUIDULO-FBKCMUNRSA-N 460.581 2.441 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCCN3C)CC1 22735145 HFTYPPVMWYEFAK-QHCPKHFHSA-N 453.562 2.252 10 40 JECB COc1ccc(N2CCc3nn(CC(=O)Nc4cc(OC)ccc4OC)c(=O)cc3C2)cc1 57743761 MKPCSZJMULYDHJ-UHFFFAOYSA-N 450.495 2.471 10 40 JECB COc1cccc([C@@H]2N[C@](Cc3c[nH]cn3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1O 100130647 ZXWDWYSITBIUGA-LYXWCMDISA-N 496.907 2.294 10 40 JECB COc1ccc(N2CCN([C@@H]3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)CC2)cc1 100143485 UIQLPQULNKHRDJ-HSZRJFAPSA-N 462.550 2.272 10 40 JECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 9433889 GHNKANYQAUDYJU-XDJHFCHBSA-N 450.451 2.136 10 40 JECB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)O 409048345 SQGNXGMCNHMVNM-YBEGLDIGSA-N 468.418 2.002 10 40 JECB COc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2 2133738 MPEODYRJUUXTKL-UHFFFAOYSA-N 479.489 2.172 10 40 JECB biogenic O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 409207258 UWZFCANDGYTMCY-HRVJUDJTSA-N 464.522 2.341 10 40 JECB COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cc1 12558372 DBZQJYCVTSNQOR-AREMUKBSSA-N 462.550 2.300 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(O)c(OCC)c1 20674869 NFWFGTKTMDDEAH-PKTZIBPZSA-N 496.564 2.328 10 40 JECB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(OC)cc4O)N[C@@](CCSC)(C(=O)O)[C@@H]3C2=O)cc1 8868148 XFHSYDWHPZOBMB-KCOOYEKVSA-N 486.546 2.436 10 40 JECB CC(C)CN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2377355 KSHBNYHLGWUOMY-WJDWOHSUSA-N 471.608 2.253 10 40 JECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 13668785 MZDBJAXJRJFICR-UHFFFAOYSA-N 482.400 2.368 10 40 JECB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NN2CCN(C)CC2)cc1 20288722 DZSBEQDKAKLUFC-PGMHBOJBSA-N 450.499 2.380 10 40 JECB CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCc4ccccc42)N3C)cc1 22920894 YOLGUBGGAMTWAT-RELGLDOUSA-N 475.637 2.495 10 40 JECB biogenic,in-vitro CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857694 UKKSFOPWKDLFHE-QFIPXVFZSA-N 467.639 2.444 10 40 JECB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1 408753966 OVPKJCBNVJBVQY-UHFFFAOYSA-N 481.349 2.440 10 40 JECB CC(=O)c1ccc(NC(=S)NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9441478 MQRNHEAVINRUAL-UHFFFAOYSA-N 479.540 2.132 10 40 JECB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734971 QJFSPUZQXRFICL-VWLOTQADSA-N 463.626 2.099 10 40 JECB COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)C(C(=O)OC)=C1C 408773307 UUTIITSYOFFHLY-RUAJRXAUSA-N 472.538 2.070 10 40 JECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(N)=O 409224351 LBQJTANGLGRBTA-OVCLIPMQSA-N 473.869 2.278 10 40 JECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC 9310982 BPOAKGZGRJKDBQ-GZTJUZNOSA-N 470.503 2.477 10 40 JECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/[C@@H]2C(=O)N(CC(=O)O)c3ccccc32)SC1=S 8820700 ORLYRMAILAYKEE-HIMCOWDXSA-N 466.562 2.152 10 40 JECB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 22735625 LHZWJWWYCVHGQV-NRFANRHFSA-N 461.584 2.048 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=S)N(c4ccc(C)cc4)C1=O)N(C)CC3)OCO2 100790414 VLLPPKHLYWHYGZ-ZKTNYTPDSA-N 494.573 2.183 10 40 JECB biogenic CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CC(=O)N4CCC(C(N)=O)CC4)OC[C@H]3C2)cc1 1565552269 NGOYLLDHWVIALK-JRFVFWCSSA-N 456.631 2.484 10 40 JECB O=C(O)c1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N\c1ccc(S(=O)(=O)O)cc1 17991274 KPIQXPLWZCDIHI-ZCXUNETKSA-N 468.425 2.185 10 40 JECB in-vitro COc1ccc(CCN2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1OC 20501966 VTSYFCGXNBVLOW-XLNRJJMWSA-N 492.576 2.463 10 40 JECB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cc(C)on3)CC2)cc1 22698811 KRBGZQUDQAPDBL-UHFFFAOYSA-N 467.526 2.123 10 40 JECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733927 PRPAFLFLKUDRQA-QFIPXVFZSA-N 452.555 2.124 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(CCc2ccccc2)C1=O 102611101 ODWWUPNNXNIDOE-SACXWWFQSA-N 460.490 2.251 10 40 JECB CCOCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 8858347 FITGUPDSNTZURY-LGMDPLHJSA-N 492.623 2.052 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675075 GOSOGSHXPSBOEA-RTWAWAEBSA-N 481.509 2.132 10 40 JECB CN1CCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)cc2)CC1 225311174 HRJVNAXOXYNVFH-UHFFFAOYSA-N 472.596 2.021 10 40 JECB Nc1c(N2CCN(C(=O)c3ccco3)CC2)cc(NCCO)c2c1C(=O)c1ccccc1C2=O 8973574 BYZRNLYBEQRWIG-UHFFFAOYSA-N 460.490 2.004 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=O)N(c4ccccc4C)C1=O)N(C)CC3)OCO2 19361989 YPFSTCHJONPCIR-QMJOVRGKSA-N 478.505 2.018 10 40 JECB biogenic COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1OC 23080536 AMSQYYKAWFXTJC-NRFANRHFSA-N 456.587 2.497 10 40 JECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(C)(=O)=O 15944871 LLRZOPFTXHQZAV-ZROIWOOFSA-N 450.856 2.353 10 40 JECB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(C)(=O)=O)c(Cl)c3)C(=N)N21 20207426 UQZWBKOBCDYBPS-REFQQJSESA-N 490.972 2.078 10 40 JECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)N2CCc3ccccc3C2)cc1 36683780 BGUVFZVWGFVBOZ-ZEQRLZLVSA-N 450.583 2.263 10 40 JECB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408774577 CHLNNKYERKYPMP-SFCFNNNNSA-N 484.549 2.212 10 40 JECB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)CC1 9333819 WORYSWBJNDEATC-VKAVYKQESA-N 491.591 2.365 10 40 JECB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22735611 QIMXFGCKJYTGPQ-OAQYLSRUSA-N 461.584 2.048 10 40 JECB O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1Cc1ccccc1 16034019 BGFKFJZQPNMPCI-KKBCGBJISA-N 487.487 2.400 10 40 JECB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/[C@H]2C(=O)N(CC(=O)O)c3ccccc32)SC1=S 20227425 ORLYRMAILAYKEE-NIAXFYKXSA-N 466.562 2.152 10 40 JECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734983 DDBNHAAOSKHCMT-XMMPIXPASA-N 465.598 2.121 10 40 JECB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 408728976 ABRTVIBCGRRXGR-KEWOFRHOSA-N 482.518 2.474 10 40 JECB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 13646429 CCYSTZJOBZWLKI-UHFFFAOYSA-N 459.568 2.246 10 40 JECB COCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734668 YNXPOLALZQRISL-FBKCMUNRSA-N 460.581 2.441 10 40 JECB CCCCC(=O)NN1C(=O)/C(=C2\SC(=S)N(NC(=O)CCCC)C2=O)SC1=S 8870055 LWCWMHRVVCPTDM-VAWYXSNFSA-N 460.628 2.361 10 40 JECB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 10113361 MHSLXTJQRVFWPK-GOSISDBHSA-N 461.584 2.393 10 40 JECB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 10272168 JYBFGSCWHLWGJJ-SADKCHQCSA-N 488.569 2.187 10 40 JECB CCOC(=O)N1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)CC1 33716486 ZGIOHBWTYOMOPF-RVDMUPIBSA-N 473.580 2.112 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(C)cc3)CC2)cc1 57010884 NBABQGCZEPIXGS-UHFFFAOYSA-N 488.592 2.121 10 40 JECB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801237 HUBFXFKAMYBONC-RTWAWAEBSA-N 481.509 2.132 10 40 JECB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734287 IVIHMBAZCRCOII-XMMPIXPASA-N 465.598 2.121 10 40 JECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCCC2)C1=O 408536335 WDVDXOODJGTAIC-OUKQBFOZSA-N 462.466 2.456 10 40 JECB COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)N=C(S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 104142907 WRCGZELKTUXIHB-BRVCPTFNSA-N 498.536 2.425 10 40 JECB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br 214309977 VUTOHTIZJCDYGL-XNTDXEJSSA-N 454.346 2.410 10 40 JECB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 9464016 FDFPLSCULHIGNC-UHFFFAOYSA-N 479.426 2.326 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22734217 PUVBCOCWXCUQJX-QHCPKHFHSA-N 470.017 2.053 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)N1CCOCC1 33722605 VNRCBHTZLABQDT-BOPFTXTBSA-N 471.897 2.048 10 40 JECB CN1C(=O)C(=Cc2cc(Br)c(O)c(I)c2)C(=O)N(C)C1=S 9553883 MDTWCKLBUNEYQN-UHFFFAOYSA-N 481.109 2.358 10 40 JECB COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCC(=O)O 408904358 IFWFJPXUEXSQEQ-RUDMXATFSA-N 451.263 2.252 10 40 JECB CN1CC2(CCN(Cc3ccccn3)CC2)COc2ccc(N3CCOCC3)cc2S1(=O)=O 306130412 JFKLQXZCMSOBTP-UHFFFAOYSA-N 472.611 2.214 10 40 JECB COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)O)C3=O)c3ccccc32)cc1 15230940 KPQNRPKNLZCXLQ-HNENSFHCSA-N 483.527 2.337 10 40 JECB COc1ccc(N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)CC2)cc1 38851197 IFWYJFZAHIPNSW-FQEVSTJZSA-N 465.959 2.224 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735117 DPQLLWSCSIPZDB-RUZDIDTESA-N 467.658 2.480 10 40 JECB Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCC4)C(=O)[C@H]31)C(=O)N2 16022133 ZLTOLWCUPRACIL-MPWBWRNSSA-N 461.518 2.312 10 40 JECB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(OCCN4CCOCC4)cc3)cc2)C1 1655384863 VEIJMEVXPBGLLW-QHCPKHFHSA-N 452.599 2.389 10 40 JECB COc1ccc(N2CCN(CN3C(=O)C4(OCC(C)([N+](=O)[O-])CO4)c4ccccc43)CC2)cc1 12402442 QVLGVQMUCPZIJL-UHFFFAOYSA-N 468.510 2.057 10 40 JECB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OS(C)(=O)=O 41084273 MYFBJGSKAHGDFM-PBGDOYKQSA-N 471.520 2.486 10 40 JECB NC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108093041 AGJPVDWLLREDPJ-QPEQYQDCSA-N 450.676 2.428 10 40 JECB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1OC 19817975 MFPKJXBDDQTXDZ-VXKWHMMOSA-N 466.538 2.232 10 40 JECB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 103596488 IZQQXHGHOWQDNH-HVZAKDRGSA-N 454.556 2.401 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)O 408692809 VYRFQESBIMJDKO-WUXMJOGZSA-N 467.272 2.326 10 40 JECB COCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 16734671 YNXPOLALZQRISL-KWZJRMENSA-N 460.581 2.441 10 40 JECB CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929846 WOGSDWLCXGCQFW-UHFFFAOYSA-N 461.584 2.372 10 40 JECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)cc1 49512259 YDNUTDBPEQZQMG-UHFFFAOYSA-N 479.581 2.089 10 40 JECB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)NCc4ccccc4F)n3)CC2)cc1 61717682 ZBMURFRNJQOGDF-UHFFFAOYSA-N 451.502 2.034 10 40 JECB CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1OCC 4092492 NFXJJAMCOQMULV-UHFFFAOYSA-N 466.542 2.495 10 40 JECB Cc1cccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1 21463354 QIGMJTCVYHOUNQ-UHFFFAOYSA-N 483.546 2.206 10 40 JECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCCCO)nc12 13564239 AYGSOZRWVLRZGX-HNDQUVLASA-N 460.581 2.177 10 40 JECB COc1ccc(N2CCN(C(=O)Cn3c(-c4ccc(F)cc4)nc(C)c(CCO)c3=O)CC2)cc1 67301042 DDMVFVRKNFJANE-UHFFFAOYSA-N 480.540 2.250 10 40 JECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1Br 13674071 RXPBBBRDANCOSX-UHFFFAOYSA-N 482.400 2.368 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(c2ccc(OC)cc2)C1=O 102608339 ATGGLPAUTPUMTD-LVSKKATPSA-N 462.462 2.222 10 40 JECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OC(C)C 408917261 PYBSTXLPFSCTOH-BJMVGYQFSA-N 460.293 2.344 10 40 JECB O=C(O)[C@H]1CN[C@H](c2cc(I)cc(I)c2O)S1 408977564 IZNCXDNYXGJUBG-APPZFPTMSA-N 477.061 2.390 10 40 JECB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O 2448004 LTHPARAGBNYZON-XEYRCQSKSA-N 492.488 2.026 10 40 JECB CCOc1c(OC)cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 15239922 GWQDVYCXOMRCAG-CXUHLZMHSA-N 460.468 2.456 10 40 JECB COc1c2c(cc3c1[C@H](CN/C=C1/C(=O)NC(=S)N(c4ccc(F)cc4)C1=O)N(C)CC3)OCO2 20410774 WRCGZELKTUXIHB-RNIVLKNTSA-N 498.536 2.013 10 40 JECB biogenic Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCN(C)CC3)nc12 27016646 OBFGDSPJHFKSMP-APVMCDBPSA-N 485.635 2.135 10 40 JECB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408961646 CYERSASDYGFYSJ-OQLLNIDSSA-N 458.268 2.288 10 40 JECB COC(=O)c1ccc(-n2c(C)cc(C(=O)COn3nnc4ccc(S(C)(=O)=O)cc43)c2C)cc1 9120144 HVYAIUGLURBNIO-UHFFFAOYSA-N 482.518 2.340 10 40 JECB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 9124900 XKMOHALKAWXCCK-MGPUTAFESA-N 460.552 2.497 10 40 JECB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 23857692 UKKSFOPWKDLFHE-JOCHJYFZSA-N 467.639 2.444 10 40 JECB COc1ccc(-c2coc3c(CN4CCN([C@@H]5CCS(=O)(=O)C5)CC4)c(O)ccc3c2=O)cc1 95471363 SKZORKTZFMTBQC-GOSISDBHSA-N 484.574 2.479 10 40 JECB biogenic CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021987 NZWAHZQUPJZOFJ-QJHDXQOESA-N 453.470 2.000 10 40 JECB COC(=O)C[C@H](c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12)c1ccnn1C 96114052 JVCMVMCNAPHTBY-NSHDSACASA-N 468.418 2.417 10 40 JECB biogenic COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1 57388038 FEPFZPFXLKAHJJ-UHFFFAOYSA-N 474.565 2.111 10 40 JECB Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)n1 13590368 OZAFUTKFCAYQKJ-UYRXBGFRSA-N 492.517 2.473 10 40 JECB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21886979 OOGTUKHSHIAOBG-QHCPKHFHSA-N 482.581 2.214 10 40 JECB COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 22664799 IFWIFRYLMOQJIM-FQEVSTJZSA-N 458.515 2.481 10 40 JECB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccc3c(c2)CCCN3C)CC1 22735166 ITNDZYMRRPTRFM-HSZRJFAPSA-N 471.552 2.391 10 40 JECB CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2cc3c(cc2Cl)C(=O)c2ccccc2C3=O)C1=O 32667926 LWVLOBSULBQOLP-UHFFFAOYSA-N 497.891 2.271 10 40 JECB COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)[C@@H](C(N)=O)C2)cc1 257319307 VRUSACQCTPJROH-JOCHJYFZSA-N 455.530 2.376 10 40 JECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 12533821 BQTZIOOEAGSXKR-JOCHJYFZSA-N 473.595 2.253 10 40 JECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 14010096 BLCXQPUKYPHRQT-ODLFYWEKSA-N 451.479 2.454 10 40 JECB O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1 409207257 UWZFCANDGYTMCY-BDBXIWDTSA-N 464.522 2.341 10 40 JECB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 23857763 BLNOIWUDSDJLDZ-QFIPXVFZSA-N 455.990 2.376 10 40 JECB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCOCC2)cc1 95471543 KNAFWUVRSILYHY-AQTBWJFISA-N 454.870 2.391 10 40 JECB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C/NN1CCCCCC1 13749782 TXLUGVCONIURCM-SDNWHVSQSA-N 454.268 2.343 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)cc1 12635361 JQDZEPQLCCSHOA-UHFFFAOYSA-N 479.624 2.427 10 40 JECB CN(C)c1ccc([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 13638258 YHCUPKBXJPENHO-DEOSSOPVSA-N 474.613 2.368 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204874 UPGZPXAGDXIZKU-JOCHJYFZSA-N 454.502 2.438 10 40 JECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 408616834 BGDZAFZBTVGXHP-HNNXBMFYSA-N 467.975 2.373 10 40 JECB CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 8758191 WXZYYSRGVKHSKR-OAQYLSRUSA-N 451.527 2.099 10 40 JECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1O 408692622 QWZCFMAKDQVRRE-IZZDOVSWSA-N 456.236 2.410 10 40 JECB COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6135952 JIUVTLRXNNQWNU-HXUWFJFHSA-N 496.593 2.041 10 40 JECB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc3c(c2)CCN3C)CC1 22735864 ZAEIQJIGRRCWHX-NRFANRHFSA-N 450.555 2.224 10 40 JECB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1N1CCOCC1 409196192 XMZFZLSUHBIGPH-QGOAFFKASA-N 451.504 2.361 10 40 JECB Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2315459 OAHJWRIYYNGWOP-UWCCDQBKSA-N 485.635 2.135 10 40 JECB COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 408692072 CTSVTMPLYZQORB-NTUHNPAUSA-N 481.299 2.414 10 40 JECB COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc(OC)c1O 12418367 OIXZOMDOGVSPHT-QPEQYQDCSA-N 466.231 2.475 10 40 JECB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)OCO2 9284897 RZLMUAICUOYNAL-UHFFFAOYSA-N 469.885 2.106 10 40 JECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O 12555210 LTZURHXIERGGEE-KCZVDYSFSA-N 462.616 2.043 10 40 JECB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(CCO)CC3)nc3ccc(C)cn3c2=O)SC1=S 20129884 YYIOIPWTPZNMCM-OKSBFYSISA-N 487.651 2.117 10 40 JECB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(O)N(c2cc(OC)ccc2OC)C1=O 102614973 LTHPARAGBNYZON-LYDJUCFBSA-N 492.488 2.230 10 40 JECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCOCC3)ccc21 21887054 IAZKBGGQNPTRRI-JOCHJYFZSA-N 458.509 2.475 10 40 JECB O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C(=O)c2cccs2)CC1 40151065 PEVSZATWDWFULM-UHFFFAOYSA-N 461.609 2.152 10 40 JECB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)CC2)cc1 223470542 DTOXFCXJVVCJQF-UHFFFAOYSA-N 451.976 2.459 10 40 JECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408951617 MBDSYNFFGBJTBW-OVCLIPMQSA-N 468.418 2.032 10 40 JECB COC(=O)COc1c(I)cc(/C=C2/SC(=S)NC2=O)cc1OC 409352038 VUFKRPYSXJOZLL-BJMVGYQFSA-N 465.290 2.340 10 40 JECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1 920898 FFZLPTUMIHQKPV-UHFFFAOYSA-N 479.624 2.381 10 40 JECB O=C(O)c1ccc(NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 16190902 LXTTZRRBONBAKO-UHFFFAOYSA-N 470.960 2.373 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)c(C)c1 408529879 IEWUITPTLIKKIK-NTCAYCPXSA-N 476.493 2.301 10 40 JECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)c(C)c1 408530075 INTMYEIQANJEHA-NTCAYCPXSA-N 462.510 2.139 10 40 JECB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22735193 HOEGXLASZVRBGI-DEOSSOPVSA-N 465.598 2.121 10 40 JECB CCOc1c(I)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O 8443617 HPXRLDZBQPKUAN-UHFFFAOYSA-N 465.041 2.202 10 40 JECB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 96168986 KNOPLTLNHVQOBW-CMAIMYMYSA-N 474.473 2.461 10 40 JECB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC 16682589 CBZGUKSAQGLGJO-QZTJIDSGSA-N 462.462 2.151 10 40 JECB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccnn4CC)c(=O)n32)cc1 2788450 DLMNEMOEYQIMMJ-GFCAVMEOSA-N 479.606 2.471 10 40 JECB N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 9281514 XKPYQBVIZLHELZ-YXBAXSDQSA-N 493.501 2.367 10 40 JECB COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 254416158 YTPWHERXRHYSNC-JOCHJYFZSA-N 491.569 2.261 10 40 JECB COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)[C@H](C(N)=O)C2)cc1 257233226 GOIKKZKHCJDQBI-QHCPKHFHSA-N 461.522 2.497 10 40 JECB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408616667 ANAISALZHHIYLD-UHFFFAOYSA-N 461.584 2.453 10 40 JECB COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc(OC)c1OC 13400234 MEZDANVQBNYKOM-VBKFSLOCSA-N 452.554 2.163 10 40 JECB O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1F 109026087 YKALMRULKCVORP-UHFFFAOYSA-N 462.231 2.355 10 40 JECB CN1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1 225492288 BHZDNVYYXBMRAL-UHFFFAOYSA-N 474.602 2.295 10 40 JECB COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414629 BDGZHTFTFQLETJ-QHCPKHFHSA-N 466.538 2.307 10 40 JECB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408532662 QQZUVPKMEQUALM-UHFFFAOYSA-N 458.496 2.151 10 40 JECB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)C(=O)NC2=S)cc1 409233312 FLNQEQGYCURFIH-RCCKNPSSSA-N 495.557 2.154 10 40 JECB COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)CC2)cc1 13109855 ZNXZSPQIBWJCAW-UHFFFAOYSA-N 461.566 2.293 10 40 JECB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc21 408536289 VTWOHWQXCOVXIU-WYMLVPIESA-N 464.438 2.330 10 40 JECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)c(OC)c1 409230680 FIQNAFNNGATIPY-JXCQQFQQSA-N 470.434 2.231 10 40 JECB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(OC)c1 22937854 IMZDLMDYGOUOPP-OAQYLSRUSA-N 462.616 2.037 10 40 JECB CN1CCN(c2ccc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 223894539 JSIHZFWPOKHTMZ-UHFFFAOYSA-N 450.992 2.029 10 40 JECB CN1C(=O)/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)NC1=S 408913502 LKXSVLVBTWNAFO-QHHAFSJGSA-N 467.082 2.016 10 40 JECB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(=O)c1ccccc1 408888499 WDJYKDIQIUZNCD-UHFFFAOYSA-N 492.225 2.268 10 40 JECB S=C(NNc1nc(NNC(=S)Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1 8788330 FRRGHUUNUFOZSR-UHFFFAOYSA-N 496.626 2.335 10 40 JECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21 8964080 HLOCWSJDPVEIPD-NRFANRHFSA-N 450.539 2.342 10 40 JECB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3C)CC2)cc1 57015987 XHARKOXPCDFUEL-UHFFFAOYSA-N 474.565 2.111 10 40 JECB