smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccc(N2C(=O)/C(=C/N[C@@H](Cc3c[nH]cn3)C(=O)O)C(=O)NC2=S)cc1 20358691 KTAFVAYRGTYUSS-LRQZKABGSA-N 427.486 1.450 10 40 IDCB CN1CCN([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22666145 ZLTJMZBBKOUACS-OAQYLSRUSA-N 447.561 1.928 10 40 IDCB COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccon3)c3ccco3)CC2)cc1 38637584 ZAYVNHGBTDASCC-SFHVURJKSA-N 439.472 1.894 10 40 IDCB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 33542898 YMJPRKOKDBOVNU-YTWPQICVSA-N 428.557 1.905 10 40 IDCB CCN1C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C(=O)N(CC)C1=S 25561722 FFTLLIDZHLIILM-QGZVFWFLSA-N 428.514 1.721 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OC 9260230 YMJOPFQGSUZSQG-UHFFFAOYSA-N 446.266 1.907 10 40 IDCB O=C(NCC(=O)N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1)c1ccccc1 13692553 APEMPJDNVWEBNH-UHFFFAOYSA-N 425.485 1.425 10 40 IDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CC(C)C)CC2)cc1 57010950 SVGCBNPYQUEHGW-UHFFFAOYSA-N 440.548 1.421 10 40 IDCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(N)=O 409265884 WPNWZZRZGDTJAF-GDNBJRDFSA-N 425.466 1.781 10 40 IDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22998980 YXUJSSZSXDHMKH-FQEVSTJZSA-N 441.488 1.789 10 40 IDCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1c(C)[nH]n(-c2ccccc2)c1=O 1505840707 STJCIALCNVHEPJ-UNOMPAQXSA-N 437.481 1.928 10 40 IDCB O=C(O)CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 40937809 PAAJSFIPARZRRK-RVDMUPIBSA-N 436.511 1.600 10 40 IDCB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCOCC2)cc1 219442911 ARNCABVUBHJUQF-UHFFFAOYSA-N 443.525 1.764 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 32858042 ZGGDUNYVHQEOBY-UHFFFAOYSA-N 441.488 1.634 10 40 IDCB CCOCCCN1C(=O)/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC1=S 2332045 WIWVOPOXDMNPDM-OWBHPGMISA-N 434.543 1.727 10 40 IDCB O=C1[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560494 JRRDAKRPILHDMS-SQNIBIBYSA-N 431.404 1.996 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCOCC3)ccc21 22734015 VGCMBKXZWRFAOS-OAQYLSRUSA-N 426.492 1.946 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 8440463 GOIZGOWZMMFEKF-ATVHPVEESA-N 428.470 1.824 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 23135121 IDMOZXGFIYIFEI-UHFFFAOYSA-N 442.545 1.794 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(O)[nH]c(=O)n(-c4ccc(C)cc4)c3=O)C2=O)cc1 15930195 WRRYSFFNHXZGIJ-BOPFTXTBSA-N 446.419 1.515 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCOCC3)ccc21 22734000 WYDQERDWLGBNPC-FQEVSTJZSA-N 428.558 1.546 10 40 IDCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1 85421482 JFYFHGIYFHXKJC-OUKQBFOZSA-N 428.445 1.508 10 40 IDCB CN1C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N(C)C1=S 59109572 FKUVVGDNFUMKKV-UHFFFAOYSA-N 426.498 1.099 10 40 IDCB COc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 13673275 CUMCVDRIOZZWLW-UHFFFAOYSA-N 433.530 1.614 10 40 IDCB CCCCN1C(=O)NC(=O)/C(=C/NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 20410764 DUZRJVRGWPLIEY-BAAYTWLHSA-N 444.488 1.305 10 40 IDCB biogenic COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)cc1OCC(=O)O 408978621 NDDRCGGUMVYWGY-UHFFFAOYSA-N 427.207 1.355 10 40 IDCB COc1cccc(N2C(=O)NC(=O)/C(=C\N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)c1 20567468 LINQDGCAGKLZGE-WPNIOXTASA-N 448.435 1.929 10 40 IDCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 36784852 UJPICGLRQIOYDT-UHFFFAOYSA-N 445.541 1.890 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764754 SOCJCXVJTNQOHZ-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(F)c(F)c3)CC2)cc1 9570074 UCEHBDLKQGAQDW-UHFFFAOYSA-N 439.484 1.855 10 40 IDCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n(N)c1=O 9768035 VNNXEKQQKCFIKQ-UHFFFAOYSA-N 427.486 1.814 10 40 IDCB COc1ccc(N2CCN([C@H](CNS(C)(=O)=O)c3ccc4c(c3)OCO4)CC2)cc1 22851683 VVRKHLVZZHADRL-LJQANCHMSA-N 433.530 1.836 10 40 IDCB CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)CC1 40061026 FOSVSXMXOWVURV-UHFFFAOYSA-N 440.544 1.817 10 40 IDCB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 8779826 SMACIFXAFSIBOC-UHFFFAOYSA-N 448.497 1.779 10 40 IDCB COc1cc(/C=C2\SC(=S)N(C=C3C(=O)NC(=O)NC3=O)C2=O)cc(OC)c1OC 1637319 WUFPTJDKPDTVMJ-SDQBBNPISA-N 449.466 1.164 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 224461230 KCVJQHQWTBJUFF-UHFFFAOYSA-N 448.564 1.656 10 40 IDCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)C1=O 9348834 LMRNJEOBUNBHHY-QQFZQELXSA-N 438.552 1.713 10 40 IDCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 10113401 RLIDYFNYWVDCOX-UHFFFAOYSA-N 432.546 1.452 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 32542436 LDQRZERGWFAPKO-QGZVFWFLSA-N 446.573 1.684 10 40 IDCB Cc1ccc(N(C[C@H](O)[C@H](O)[C@@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 31934177 OOMLWVJCNNEQRU-UUQSSMSHSA-N 439.490 1.130 10 40 IDCB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1 408606191 OCFKNGWETYBNLE-AWEZNQCLSA-N 434.470 1.842 10 40 IDCB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 113946189 SYZHIQXGBCVVKD-NRFANRHFSA-N 445.541 1.757 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 23135260 OTRGZCDEEXCRMY-UHFFFAOYSA-N 425.468 1.837 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OC(C)=O 59139578 DLWIWJPQGUZTQS-UHFFFAOYSA-N 427.276 1.982 10 40 IDCB COCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2356214 LPJMKMDXUBSEHT-OWBHPGMISA-N 432.527 1.379 10 40 IDCB CN(CCO)C(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383324 TZLBREJELVTXCT-UHFFFAOYSA-N 444.509 1.313 10 40 IDCB CCN1C(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)cc2)C(=O)N(CC)C1=S 409231763 MDFFSSWHTYDZRF-UHFFFAOYSA-N 431.514 1.303 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)c1 8972192 QMYRYZWIJZGMPI-UGMNDJHYSA-N 426.541 1.200 10 40 IDCB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnnn2-c2ccc(OC)cc2)cc1 17287946 RAMBGLNOYYSIOZ-UHFFFAOYSA-N 444.517 1.631 10 40 IDCB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 34926549 YAPADTZCKBMPDL-UHFFFAOYSA-N 428.445 1.843 10 40 IDCB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)no1 408654892 BWIQSADVBQYEQQ-KURKYZTESA-N 437.452 2.027 10 40 IDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(I)c1 13654454 XSVRLXNJNSMFEA-IAOKNECISA-N 445.282 1.992 10 40 IDCB Cc1ccc(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 9708812 UNQCAAREPRQSGE-UHFFFAOYSA-N 444.565 1.475 10 40 IDCB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 20108038 BRPRTQIYIWWHJF-UHFFFAOYSA-N 432.546 1.696 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)/C=C/c3ccccc3)CC2)cc1 9570078 FKTKNPBSORTYNI-KPKJPENVSA-N 429.542 1.977 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4ccccc4F)CC3)[C@H](C(N)=O)C2)cc1 257317343 VJJTXAOOUDPOQJ-QFIPXVFZSA-N 442.535 1.842 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)CC2)cc1 40286529 GTTYTKGPYZLOGV-UHFFFAOYSA-N 438.484 1.771 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCOCC3)ccc21 22733930 CKNHCSIYGAEUNG-JOCHJYFZSA-N 440.519 1.624 10 40 IDCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 9323880 AGALQVUDMSBVCS-PTNGSMBKSA-N 427.438 1.646 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22594378 JVFSDAKNQTYZEK-NRFANRHFSA-N 427.524 1.935 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9429864 XUTCIECHSMFPIZ-GFAPJHNFSA-N 426.516 1.844 10 40 IDCB CC(C)c1ccc(N2C(=O)/C(=C/N[C@@H](CC[S@](C)=O)C(=O)O)C(=O)NC2=S)cc1 20392631 TXDABDCBXDIXON-GANDQZCFSA-N 437.543 1.253 10 40 IDCB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)no1 408654879 BWIQSADVBQYEQQ-BZSNNMDCSA-N 437.452 2.027 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408764813 SUEALDAFGIODAP-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccs2)SC1=S 9348340 ICQBAQJFAJYLTN-LAZWVFLGSA-N 430.598 1.983 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 33589455 HCLCQXGSLSIPDC-NCPSJORJSA-N 440.568 1.542 10 40 IDCB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 408891087 LGEOVXZSASQWOM-UHFFFAOYSA-N 429.410 1.162 10 40 IDCB Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(S(=O)(=O)N(C)C)CC3)c2oc1=O 95479734 LMXJXLUOQHGIFC-UHFFFAOYSA-N 429.926 1.693 10 40 IDCB NC(=O)c1cc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc(C(N)=O)c1 8859959 LJFMTSCZAZYLHA-UHFFFAOYSA-N 449.444 1.461 10 40 IDCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 229858613 JRRDAKRPILHDMS-RCCFBDPRSA-N 431.404 1.996 10 40 IDCB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)c1 36576641 YNOZPCPYXFDODM-WYFPGCDWSA-N 440.568 1.498 10 40 IDCB CC1(C)O[C@@H]2O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@](C)(O)[C@H]2O1 103118975 QGQBMTUTSDTWIT-RBRWEJTLSA-N 442.420 1.534 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 9430186 LLVWIRXIVKIQQQ-UGMNDJHYSA-N 426.541 1.200 10 40 IDCB Cc1ccccc1NC(=S)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 9708808 LNUFNUXOZZSWHR-UHFFFAOYSA-N 430.538 1.167 10 40 IDCB Cc1ccc(N2C(=O)/C(=C/N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)cc1C 101702541 YJBKAUUHWGYAKZ-GHRIWEEISA-N 438.509 1.986 10 40 IDCB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13573508 IIPOPJAOWOLIQU-QWKGFIHWSA-N 435.480 1.859 10 40 IDCB CN1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929692 YSXBUWQNMLDWET-JOCHJYFZSA-N 435.532 1.853 10 40 IDCB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 40156919 NAAGKCNFLNYQGL-SFHVURJKSA-N 444.557 1.569 10 40 IDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O 409234377 ZRCRLLHKXKOHDO-XMHGGMMESA-N 449.463 1.899 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H]1CCS(=O)(=O)C1 13655199 DDQWSUAHBVFKCZ-CJAAZZPWSA-N 428.532 1.720 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)CC2)cc1 38851205 OENGXHOKMGMNMA-NRFANRHFSA-N 445.541 1.961 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCC(=O)OC 107831512 ILCTVCAOONBHOQ-OQLLNIDSSA-N 428.397 1.892 10 40 IDCB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022009 DCDSSPOKSXBREU-QJHDXQOESA-N 435.480 1.861 10 40 IDCB COCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2354777 HLQHQGNBJZXNAS-QINSGFPZSA-N 446.554 1.687 10 40 IDCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 9311644 YGJKNNMCBORFQT-UXBLZVDNSA-N 427.276 1.648 10 40 IDCB Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 3179446 CPHJWIZGHUEZFB-UHFFFAOYSA-N 434.456 1.461 10 40 IDCB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 222828244 GZIQDBYTJGIONG-UHFFFAOYSA-N 438.579 1.363 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N(C)C)n(C)c(=O)n4C)C2=O)cc1 408529259 HHZLTCFDBUALSH-QINSGFPZSA-N 448.483 1.830 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1C 409007055 MOAWPMYLLHVWIQ-UHFFFAOYSA-N 425.466 1.935 10 40 IDCB O=C(NC1C(=O)c2ccccc2C1=O)OCCCNC1=NS(=O)(=O)c2ccccc21 101348969 XKTSWJTUXBPCDQ-UHFFFAOYSA-N 427.438 1.289 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(N)=O 408963634 CXUWUBPYCJVZGT-OQLLNIDSSA-N 427.388 1.755 10 40 IDCB CC[C@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 5218090 PYFOXRACBORDCT-APZZYGJWSA-N 428.393 1.414 10 40 IDCB biogenic Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 575426724 YWLBISSFWPADKZ-HZPDHXFCSA-N 430.935 1.584 10 40 IDCB COCCN1C(=O)/C(=C/c2c(NCCCO)nc3ccc(C)cn3c2=O)SC1=S 2252606 GAHHEEWRBZGNMZ-UVTDQMKNSA-N 434.543 1.645 10 40 IDCB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC 409007920 RUPYLQJKQOWPCO-UHFFFAOYSA-N 425.397 1.471 10 40 IDCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 13670707 CNBVZXXXYZNKRR-UHFFFAOYSA-N 433.530 1.614 10 40 IDCB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(N3CCOCC3)cc1)O2 44910938 PUORQJLLNNFTGP-NRFANRHFSA-N 445.541 1.675 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\[C@@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1 100137465 CKZASBIIUSLSHV-RBFDBLARSA-N 448.460 1.568 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(N(C)C)cc2)CC1 22594274 SHHKLHDIWGJALL-QFIPXVFZSA-N 429.609 1.996 10 40 IDCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 9356321 IFNZITZTYLJYFE-ZHZULCJRSA-N 442.497 1.664 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC(N)=O)c1 14010991 IBEBSDVFSWWVOV-LZYBPNLTSA-N 429.816 1.879 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)cc1 408529228 HGOULZUJNOIAKU-RAXLEYEMSA-N 436.428 1.922 10 40 IDCB Cc1ccc(N(C[C@@H](O)[C@H](O)[C@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 35572488 OOMLWVJCNNEQRU-FMYFVNGISA-N 439.490 1.130 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 9429621 SGWHAYHXHQIDQH-QRTYOACDSA-N 438.552 1.712 10 40 IDCB CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 89335430 RVLKOGKAWGBHCW-UHFFFAOYSA-N 435.477 1.524 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCC(=O)O 408909604 HKWPMIYRQAXHHD-FPYGCLRLSA-N 429.248 1.178 10 40 IDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 58450218 KAHAZHCAMLBINC-UHFFFAOYSA-N 432.546 1.706 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N3CCOCC3)ccc21 22734018 VGCMBKXZWRFAOS-NRFANRHFSA-N 426.492 1.946 10 40 IDCB CCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 57478737 IGZDDMYSMBELRA-UHFFFAOYSA-N 428.514 1.602 10 40 IDCB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccco1 17094823 WZKMBIPLEJJYNO-RTBURBONSA-N 426.473 1.817 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCN3CCCCC3)C2=O)cc1OC 100929508 YLWDTCXHPPCJOV-FBMGVBCBSA-N 444.532 1.674 10 40 IDCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)O 6600555 YRWWAAIPSFROAD-MHWRWJLKSA-N 440.408 1.797 10 40 IDCB CCN(C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 9215917 ISNDNOWPVPWMAV-LQELWAHVSA-N 428.557 1.907 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCC 15018651 GOSOBUHZQUBBPK-UHFFFAOYSA-N 430.198 1.838 10 40 IDCB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)O 13424451 YRWWAAIPSFROAD-YBEGLDIGSA-N 440.408 1.797 10 40 IDCB O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCC(=O)N1CCOCC1 32099370 NOQQWAQVLVTNEE-AQTBWJFISA-N 425.416 1.525 10 40 IDCB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C\c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33542897 YMJPRKOKDBOVNU-ZGQQQQJYSA-N 428.557 1.905 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734211 MTZSZQVJYNRUQO-DEOSSOPVSA-N 449.599 1.708 10 40 IDCB COc1ccc(N2CCN(C(=O)CN3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)cc1 22921891 OCOCCGRYZXDNMW-UHFFFAOYSA-N 445.608 1.266 10 40 IDCB COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 36613191 SOHSRRKWYZLCAB-QKNMJKLUSA-N 442.427 1.828 10 40 IDCB COC(=O)COc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 59140076 FORHJRWYQHPJST-UHFFFAOYSA-N 427.276 1.600 10 40 IDCB CCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 22698817 BCGODJAKKAWMMH-UHFFFAOYSA-N 428.533 1.714 10 40 IDCB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)Oc2ccccc21 26112568 XWXJJEWBWWIFRY-NRFANRHFSA-N 445.541 1.961 10 40 IDCB Cc1cccc2c(=O)c(/C=C3\C(=O)N4C(=S)NN[C@@H]4N(c4ccccc4)C3=O)c(O)[nH]c12 68590015 FHSOOGISHXTCPC-PLTPHKKDSA-N 447.476 1.477 10 40 IDCB CCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2289759 BSCUHPQVVIQCBZ-QINSGFPZSA-N 429.571 1.976 10 40 IDCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)O 33739188 QQFHUOJCYFBIMY-ZSOIEALJSA-N 427.369 1.918 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 108051520 HQKCSSDOERNJLU-UHFFFAOYSA-N 427.388 1.991 10 40 IDCB O=C1NC(=O)C(=Cc2cc(Br)c(O)c(I)c2)C(=O)N1 408738236 SKPMQJGCGWHHEP-UHFFFAOYSA-N 436.987 1.509 10 40 IDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408754813 SDGVAEGJNANTDN-UHFFFAOYSA-N 447.381 1.121 10 40 IDCB COc1ccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)cc1 585284701 VIRMZFJZGUMAHM-VXKWHMMOSA-N 445.560 1.117 10 40 IDCB CC(C)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 33537003 ALZLXONBPZZPIW-TZRLYZKDSA-N 428.557 1.809 10 40 IDCB CCCCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 9001556 PTIWWJPILBRZMJ-UHFFFAOYSA-N 440.548 1.959 10 40 IDCB COc1ccc(N2CN=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3C2)cc1OC 2346075 CJMXTIPTDXYVEQ-HNENSFHCSA-N 436.493 1.157 10 40 IDCB Cc1cccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 96234482 ADHGEKMVLFWXPG-UHFFFAOYSA-N 430.574 1.829 10 40 IDCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 100221820 FSWYWBTYCIONRZ-HEUOVEHFSA-N 432.392 1.963 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 9570077 OQGCXPCHBVZNEY-UHFFFAOYSA-N 448.501 1.485 10 40 IDCB O=C1N=C(O)/C(=C\NN2CCOCC2)C(=O)N1c1ccc(I)cc1 9331536 SHXCAEXDAMNZOE-FMIVXFBMSA-N 442.213 1.435 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13575435 KJRNDMHZWDGEQZ-BFTHVDOESA-N 428.944 1.968 10 40 IDCB COCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946154 CFFYBSFUVLWHPL-FQEVSTJZSA-N 444.532 1.420 10 40 IDCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)s1 18036828 BJKJEBXMYDDGTP-VHEBQXMUSA-N 436.479 1.042 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)O 59139560 KILVACTWAXZFMT-UHFFFAOYSA-N 443.275 1.520 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccc(N(C)C)cc2)CC1 22594222 CKKQZJCPICSLKU-HXUWFJFHSA-N 429.590 1.535 10 40 IDCB CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 9646940 CISAHAAYODVVCW-UHFFFAOYSA-N 446.573 1.914 10 40 IDCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 16039216 JRRDAKRPILHDMS-KSZLIROESA-N 431.404 1.996 10 40 IDCB CN(C)c1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)N3C2)cc1 22936940 VMJZUJDPKSFDCU-NNWRFLSQSA-N 427.593 1.576 10 40 IDCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)CC2)cc1 38851195 NVNWRNZIFWYAMU-NRFANRHFSA-N 445.541 1.879 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H]3CSC[C@H]3O)C2=O)c(OC)c1 36569314 QQHPROYGGSHOAH-UVVSUJLZSA-N 440.568 1.498 10 40 IDCB COc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1 9972625 KCPSKSSPOZGPNP-UHFFFAOYSA-N 441.465 1.636 10 40 IDCB CCOc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 15018680 JFPNWRJYZNGLDF-UHFFFAOYSA-N 432.239 1.613 10 40 IDCB O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NN1CCOCC1 27530514 RLWFLIUEQUXKRC-LFIBNONCSA-N 435.527 1.760 10 40 IDCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 216937843 VOVCQNPYEHUQIX-UHFFFAOYSA-N 446.573 1.529 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 33543657 KPJZRDIHYPWWCZ-LERPTODRSA-N 438.552 1.713 10 40 IDCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1 33663774 IQLBKTPOZKBPBU-SUWCGCSTSA-N 426.425 1.703 10 40 IDCB CC[C@@]1(O)C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 5218091 PYFOXRACBORDCT-NAIFSBNKSA-N 428.393 1.414 10 40 IDCB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC=C1C(=O)N(C)C(=S)N(C)C1=O 9304257 PTAXYPRAGUPOKP-UHFFFAOYSA-N 427.515 1.981 10 40 IDCB COCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 1834081 OYBJFQUMYZNBIZ-PTNGSMBKSA-N 446.554 1.687 10 40 IDCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2367035 ADEWBPRRMFCAAD-UVTDQMKNSA-N 443.554 1.536 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCn3ccnc3)C2=O)cc1OC 101085699 XXOFQNZIMBVWQP-DTQAZKPQSA-N 427.461 1.085 10 40 IDCB CC1(C)O[C@@H]2O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@](C)(O)[C@H]2O1 8431306 QGQBMTUTSDTWIT-UNRHHUQTSA-N 442.420 1.534 10 40 IDCB COCCCN(C(=O)/C=C/c1c(C)nn(C)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8946007 MNIFCXMUKYYWOF-CMDGGOBGSA-N 432.525 1.208 10 40 IDCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408534896 RPTAZYAUINBLGF-SDNWHVSQSA-N 430.442 1.182 10 40 IDCB COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OS(=O)(=O)c1ccc(C)cc1 2726761 YCRYZWCGZPYGPZ-UHFFFAOYSA-N 432.479 1.686 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 12321808 YGHQEXPHIWCODQ-HRAATJIYSA-N 425.485 1.689 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3nc4ccc(-c5ccccc5)nn4c3=O)CC2)cc1 49399291 WHMSINXPSQVLCR-UHFFFAOYSA-N 444.495 1.915 10 40 IDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 57120815 GOVXAYPIZBPUIG-UHFFFAOYSA-N 446.529 1.241 10 40 IDCB O=C1CN(c2ccc(CNC(=O)c3nc(N4CCCCC4)ncc3Cl)cc2)CCN1 40142107 FMIPQIBXVYLQQL-UHFFFAOYSA-N 428.924 1.987 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408534779 RDXMZRRSOSLHAO-RLGUWMIQSA-N 440.412 1.783 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204015 GTFYXSJCBAJBAZ-BZROSYFNSA-N 428.430 1.417 10 40 IDCB Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 575426723 YWLBISSFWPADKZ-HOTGVXAUSA-N 430.935 1.584 10 40 IDCB Cc1ccc(N(C[C@@H](O)[C@H](O)[C@@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 31934175 OOMLWVJCNNEQRU-CCBAOVFJSA-N 439.490 1.130 10 40 IDCB COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 56925351 XTNUTUSAWVHYJJ-LJQANCHMSA-N 437.544 1.922 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 9508014 XEVFCGDSKHJIJR-OAHLLOKOSA-N 428.514 1.471 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@@H]1CCS(=O)(=O)C1 33583212 DDQWSUAHBVFKCZ-ZMTLZGASSA-N 428.532 1.720 10 40 IDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCOCC2)cc1 22998806 BYNKXNVCRBRIEA-NRFANRHFSA-N 428.508 1.698 10 40 IDCB Cn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C/c4ccc(F)cc4)S3)CC2)cn1 36621368 GCHYHZRLUUVGOX-YBEGLDIGSA-N 435.506 1.536 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O 408853120 PYOXFOTZQNYXAM-NYYWCZLTSA-N 427.325 1.704 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 9215821 GJQJIBRTWKJEBJ-GRRFOWRYSA-N 440.568 1.542 10 40 IDCB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566840 RVFVSGVDHHYGIE-UNKHORCTSA-N 435.480 1.859 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408762868 LNIBBYOTWIVMJH-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 408905192 UYLNADYSWNUAMO-OVCLIPMQSA-N 444.241 1.980 10 40 IDCB Cc1cccc(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1C 9708816 WIOUANQBDKWAFS-UHFFFAOYSA-N 444.565 1.475 10 40 IDCB CC(C)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccco2)SC1=S 9252721 ALZLXONBPZZPIW-DEXZEKDLSA-N 428.557 1.809 10 40 IDCB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2)C1=O 13689055 PYJZIUOBYUWZCJ-UHFFFAOYSA-N 438.483 1.919 10 40 IDCB Cc1cc(O)nc(Sc2oc(C=C3C(=O)NC(=S)NC3=O)cc2Br)n1 409114050 IHZAWVGRLXXROH-UHFFFAOYSA-N 441.288 1.912 10 40 IDCB CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1878584 ILXSYZAUNGACNW-ICFOKQHNSA-N 432.521 1.530 10 40 IDCB N=c1nc(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[N+](=O)[O-])ss1 59488811 ZSKFOPDVPSXYDZ-UHFFFAOYSA-N 425.498 1.658 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809459 ZUDDMYKNGXILDR-HSZRJFAPSA-N 437.588 1.782 10 40 IDCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 4456760 NQZHKVRQXKQASD-WJDWOHSUSA-N 449.872 1.685 10 40 IDCB O=C(O)[C]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)=C(O)[C@@H]1O 1560408841 UWJZUXQBKOYOKP-LAUBAEHRSA-N 443.340 1.911 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 36569672 YGHQEXPHIWCODQ-IERDGZPVSA-N 425.485 1.689 10 40 IDCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC(C)(C)C)c1C 40476918 XZFOCBDGSMJQFF-UHFFFAOYSA-N 425.488 1.625 10 40 IDCB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(N3CCOCC3)cc1)O2 44910935 PUORQJLLNNFTGP-OAQYLSRUSA-N 445.541 1.675 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998886 DBTOJKSJLIEGLV-FQEVSTJZSA-N 426.517 1.889 10 40 IDCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4O)N[C@](C)(C(=O)O)[C@@H]3C2=O)cc1 8868207 IQLBKTPOZKBPBU-ORGXJRBJSA-N 426.425 1.703 10 40 IDCB CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 36683765 IHGSQVVKESVBRA-QHCPKHFHSA-N 437.588 1.646 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@H]1CCS(=O)(=O)C1 9353149 KAAGCYZLXDJIKW-HKMIMPICSA-N 430.960 1.845 10 40 IDCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c(OC)c1 9310766 YOHLZTAKDYPKKQ-RVDMUPIBSA-N 443.481 1.965 10 40 IDCB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024969 RVFVSGVDHHYGIE-WDEBQMKVSA-N 435.480 1.859 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809452 ZUDDMYKNGXILDR-QHCPKHFHSA-N 437.588 1.782 10 40 IDCB COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O 13514232 HKNJHJKGOSSWER-CJPOYQPDSA-N 429.458 1.269 10 40 IDCB COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 36596493 SGWHAYHXHQIDQH-VBTYFWCOSA-N 438.552 1.712 10 40 IDCB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9302700 YMJPRKOKDBOVNU-QNWYCTJYSA-N 428.557 1.905 10 40 IDCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@@](C)(C(=O)O)[C@@H]3C2=O)cc1 9972155 RFQSHITZNPMOTL-ACTFIFLWSA-N 426.425 1.703 10 40 IDCB NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 409222334 CGVJYOAKDBSSLW-DHDCSXOGSA-N 444.241 1.980 10 40 IDCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NN2CCN(C)CC2)cc1 9113298 VERRFYLHCRUUBM-HMMYKYKNSA-N 436.472 1.990 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(C)=O 408760004 PUTIFSMPWIKZPE-UHFFFAOYSA-N 444.181 1.365 10 40 IDCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@](C)(C(=O)O)[C@@H]3C2=O)cc1 9972158 RFQSHITZNPMOTL-DOWNOZBLSA-N 426.425 1.703 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCN3C)CC1 23857698 VXJOITWKFHKOGC-JOCHJYFZSA-N 439.535 1.861 10 40 IDCB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O 9348832 LMRNJEOBUNBHHY-LERPTODRSA-N 438.552 1.713 10 40 IDCB Cc1cc(C)cc(N2C(=O)/C(=C/N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)c1 105966068 QPSBDEPKCQSZIN-GHRIWEEISA-N 438.509 1.986 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 408529784 HXQAFRBMNYWUTI-FOWTUZBSSA-N 435.440 1.855 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O 409223932 HSIKMKUPMDEJDW-NTUHNPAUSA-N 429.816 1.879 10 40 IDCB CN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S 19929190 DKJCUMBAMYHYKP-SQFISAMPSA-N 445.570 1.660 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCC(=O)O 59139596 LHUNPJFQBMXSSX-UHFFFAOYSA-N 443.275 1.520 10 40 IDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22998910 WVOLISQMFSZSSZ-HXUWFJFHSA-N 441.488 1.789 10 40 IDCB Cc1ccc(C)c(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 9708810 YRQOJZRNWUMBRH-UHFFFAOYSA-N 444.565 1.475 10 40 IDCB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCOCC2)cc1 219667081 WQPMZILBRLZADD-UHFFFAOYSA-N 429.498 1.374 10 40 IDCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3C(=O)OC)nnc2n1 3629282 WTRGXZGIWYZLLU-UHFFFAOYSA-N 430.494 1.900 10 40 IDCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 40476908 NAZNYRITNRDCLP-UHFFFAOYSA-N 443.422 1.651 10 40 IDCB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 102813735 SEYSSDACUCWQPR-YGNKNYMTSA-N 449.532 1.925 10 40 IDCB COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NC(C)C)CC2)cc1 22698819 PMXAFPUZEHYILZ-UHFFFAOYSA-N 428.533 1.712 10 40 IDCB COc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 8843084 JUGNLDZUHDZMFL-UHFFFAOYSA-N 447.381 1.961 10 40 IDCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)N=C1C 13681380 NPNMFKACNFKBGU-CJAAZZPWSA-N 437.474 1.191 10 40 IDCB CCOC(=O)N(C)CCc1cc2c(c(OC)c1C=C1C(=O)N(C)C(=O)N(C)C1=O)OCO2 2105614 KQQJIRDYSSUWDZ-UHFFFAOYSA-N 447.444 1.489 10 40 IDCB biogenic O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H]1CCS(=O)(=O)C1 33588555 KAAGCYZLXDJIKW-ZTFCMROMSA-N 430.960 1.845 10 40 IDCB Cc1ccccc1N(CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 216934112 CXOHMZAHNLUCCD-UHFFFAOYSA-N 430.574 1.829 10 40 IDCB COc1ccccc1N1CCN([C@@H]2[C@@H](O)[C@H](NCc3ccccc3O)[C@H]3CO[C@@H]2O3)CC1 12483882 BRXMEULRZVZOAY-ZSXJVMONSA-N 441.528 1.166 10 40 IDCB biogenic,in-vitro COc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 23135113 VDRVPEMTKGGORA-UHFFFAOYSA-N 448.936 1.831 10 40 IDCB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccs2)SC1=S 33583385 ICQBAQJFAJYLTN-BOXMQNKESA-N 430.598 1.983 10 40 IDCB CC(C)[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360719 ALZLXONBPZZPIW-HSNXVVJJSA-N 428.557 1.809 10 40 IDCB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217014201 ABWAMOPPPQJIBF-UHFFFAOYSA-N 430.574 1.684 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C/N[C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 20572205 BXEKVTURIPOCBA-ZFOVBUMHSA-N 425.397 1.153 10 40 IDCB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)NCCc4ccccc4)n3)CC2)cc1 61720297 FQPBIKLSWKOARF-UHFFFAOYSA-N 447.539 1.937 10 40 IDCB O=C1CN(c2ccc(CNC(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2)CCN1 65607061 NTBKOZMAUKKKCD-UHFFFAOYSA-N 432.484 1.550 10 40 IDCB CCN(C(=O)[C@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 9302706 YMJPRKOKDBOVNU-MFRBPKMGSA-N 428.557 1.905 10 40 IDCB COc1cc(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1O 59139685 ZHROHFGCSXDJFN-UHFFFAOYSA-N 432.239 1.604 10 40 IDCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)N=C1C 101489248 NPNMFKACNFKBGU-ZMTLZGASSA-N 437.474 1.191 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)Cn3c(=O)oc4ccccc43)N3CCOCC3)ccc21 38671968 IAXXYZLKOYYRMV-NRFANRHFSA-N 436.512 1.777 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 9570075 FYXCZUAOACZVTM-UHFFFAOYSA-N 448.501 1.485 10 40 IDCB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc2nsnc12 14225182 YSPGRUSLDZENRZ-UHFFFAOYSA-N 440.528 1.513 10 40 IDCB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1 408606194 OCFKNGWETYBNLE-CQSZACIVSA-N 434.470 1.842 10 40 IDCB COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 36596495 SGWHAYHXHQIDQH-RLYUOEPHSA-N 438.552 1.712 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(OC)cc3)C[C@@H]2C(=O)O)SC1=S 256055377 DTAGHYJCWXURDH-WJQTUHTMSA-N 449.510 1.823 10 40 IDCB O=C(O)CCN1C(=O)/C(=C\c2cccc(OCC(=O)N3CCOCC3)c2)SC1=S 409099456 NPLSNXKUXXIYSK-RVDMUPIBSA-N 436.511 1.600 10 40 IDCB COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 13649881 YHCCSZRNPDGJKZ-UHFFFAOYSA-N 447.557 1.923 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCN3CCCCC3)C2=O)cc1OC 100929824 GWVSPKSDOKBWLY-BMRADRMJSA-N 430.505 1.284 10 40 IDCB CN(C)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 36683767 IHGSQVVKESVBRA-HSZRJFAPSA-N 437.588 1.646 10 40 IDCB Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1/N=N\c1ccc(S(N)(=O)=O)cc1 104373304 AQEKZNZVRDAJTC-DQRAZIAOSA-N 433.475 1.922 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)CC2)cc1 13564831 FXWTWKOWSYVRST-UHFFFAOYSA-N 447.513 1.539 10 40 IDCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1 108101593 FVELBIAHCUGMEJ-NBVRZTHBSA-N 437.452 1.394 10 40 IDCB O=C(O)CN1C(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 13524290 XOTUVMSXEHDCLH-CXUHLZMHSA-N 445.522 1.786 10 40 IDCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 15945140 MOCUEUGPGJDDEE-ZSOIEALJSA-N 429.816 1.879 10 40 IDCB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375232 IIPOPJAOWOLIQU-KVRAMYNASA-N 435.480 1.859 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1F 10131320 VCXLHOUWAPFKHT-UHFFFAOYSA-N 429.429 1.766 10 40 IDCB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1cc(Br)ccc1O 19320466 DTEOSRPGVAAEBK-UHFFFAOYSA-N 427.255 1.855 10 40 IDCB O=C(O)CNC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 9061020 WTTQXSFMOZLRMP-DHDCSXOGSA-N 442.815 1.733 10 40 IDCB CN(C)c1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccccc4)N3C2)cc1 22936809 CHBOWHUEOFFEQC-QTJGBDASSA-N 449.599 1.880 10 40 IDCB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1NC(C)=O 32088329 BKONIRBXMPWZIJ-UHFFFAOYSA-N 443.503 1.835 10 40 IDCB CC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 5218089 PYFOXRACBORDCT-JKBLZEGDSA-N 428.393 1.414 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 9429402 IIEWAVPZPZRFGH-NWFCWYBLSA-N 438.552 1.713 10 40 IDCB CN1CCN(c2ccc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 223695666 YIKHKTQZFXOPJL-OAQYLSRUSA-N 430.574 1.687 10 40 IDCB NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409222901 FLKDSIIHGDWKDX-NTEUORMPSA-N 444.241 1.980 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3C)CC2)cc1 9570088 NYMMBCIVDBBFGN-UHFFFAOYSA-N 447.557 1.651 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 9429619 SGWHAYHXHQIDQH-ULGHFJRLSA-N 438.552 1.712 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 409196317 YXPBAHRUTGVIHI-NTUHNPAUSA-N 428.422 1.939 10 40 IDCB COc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 12420939 ZOALNDDWTMEAEM-HXUWFJFHSA-N 437.500 1.709 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3)CC2)cc1 11796517 HVXCDUUXIKGSQW-UHFFFAOYSA-N 447.557 1.732 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2nccs2)c2ccc3c(c2)CCCN3C)CC1 22735318 PGAJNMLFXFEPLB-LJQANCHMSA-N 442.589 1.569 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C/N[C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1 20572203 BXEKVTURIPOCBA-NIFLVVHWSA-N 425.397 1.153 10 40 IDCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(N)=O 33586443 VJGMHMPJLZKNMW-ZSOIEALJSA-N 426.385 1.319 10 40 IDCB CCCCN1C(=O)NC(=O)/C(=C/NC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O 20410762 DUZRJVRGWPLIEY-LTBFUDJGSA-N 444.488 1.305 10 40 IDCB biogenic COc1ccc(N2CCN(C(=O)COc3coc(CN4CCOCC4)cc3=O)CC2)cc1 72401099 MAGRQVRHGSKDLI-UHFFFAOYSA-N 443.500 1.208 10 40 IDCB NC(=O)C[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870184 CANMCLSIQKPAJE-IOFBRSAASA-N 433.511 1.279 10 40 IDCB CN(C)c1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 40139490 NDNFCQQNCRTHDK-UHFFFAOYSA-N 427.530 1.729 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(I)o1 408862035 HREYETBMUFHUHA-UHFFFAOYSA-N 427.017 1.561 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)CC2)cc1 1330630 LEYFOQLPGOHPMN-UHFFFAOYSA-N 444.495 1.940 10 40 IDCB CN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9429759 YWZZWARHGLCSLT-VSXLWIIGSA-N 430.598 1.985 10 40 IDCB COc1ccc(N2CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3C2)cc1OC 2337241 SHEDAINFDNPORO-NVMNQCDNSA-N 426.454 1.719 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 32542435 LDQRZERGWFAPKO-KRWDZBQOSA-N 446.573 1.684 10 40 IDCB COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19079605 YSUZZFBJFJABNK-NSHDSACASA-N 442.544 1.805 10 40 IDCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(I)c1 101473487 XSVRLXNJNSMFEA-JGWKKKPCSA-N 445.282 1.992 10 40 IDCB CN1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S 408951161 HYIJYMPISOLOOC-GORDUTHDSA-N 441.044 1.903 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccc(C)cc3)CC2)cc1 9570091 IUDIOHAUODJZQG-UHFFFAOYSA-N 447.557 1.651 10 40 IDCB CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1/SC(=S)N(N)C1=O 100181161 RLXHKEWJASHDDX-VNXILKCPSA-N 444.607 1.824 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 13572699 BTYKVDHRSZBPPA-IAOKNECISA-N 428.532 1.672 10 40 IDCB O=C(O)CCN1C(=O)/C(=C\C=C2\SC(=S)N(CCC(=O)O)C2=O)SC1=S 28294907 NSNCIYIKGLXXSJ-FACPPWRESA-N 432.526 1.424 10 40 IDCB CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)ccc1O 102463896 JBEHFZIYMHKQRI-JJIJXQAVSA-N 443.485 1.659 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccon2)c2ccc3c(c2)CCCN3C)CC1 22735059 VTJKFKBHNZLOGO-IBGZPJMESA-N 426.521 1.100 10 40 IDCB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)n1 72344771 SHEATOSFNXAPCL-KRWDZBQOSA-N 434.500 1.958 10 40 IDCB COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 10188085 VRPPNBLDACHOHE-UHFFFAOYSA-N 433.530 1.586 10 40 IDCB Cc1ccc(N(C[C@H](O)[C@H](O)[C@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 35572486 OOMLWVJCNNEQRU-NAKOGKCBSA-N 439.490 1.130 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N\[C@@H]2C(=O)N(C(=O)c3cccnc3)N=C2C)cc1 104214181 PGTGJIPJSDRKQW-JHBCHSCWSA-N 428.430 1.417 10 40 IDCB Cc1cccc(C)c1NC(=S)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 9708814 ASWMFTJCSWZQBK-UHFFFAOYSA-N 444.565 1.475 10 40 IDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)cc1 56949752 VYRFKSWIFMIVJL-UHFFFAOYSA-N 440.548 1.800 10 40 IDCB Cc1ccc(N(C[C@@H](O)[C@@H](O)[C@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 35572492 OOMLWVJCNNEQRU-QXQBMCLKSA-N 439.490 1.130 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1 409007903 ROSUQWWUEOPZAO-UHFFFAOYSA-N 425.466 1.935 10 40 IDCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2cc(Br)ccc21 409142797 FXNFJYLLXWIDLS-XGICHPGQSA-N 436.287 1.833 10 40 IDCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 33363201 ADEWBPRRMFCAAD-GXDHUFHOSA-N 443.554 1.536 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 1223075 AMGBJHBHJVTXLO-UHFFFAOYSA-N 438.488 1.715 10 40 IDCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1 15276337 IQLBKTPOZKBPBU-RQXXJAGISA-N 426.425 1.703 10 40 IDCB O=C1C(=CNCCN2CCNCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 19367058 YIPWIESBJZHUOP-UHFFFAOYSA-N 435.553 1.730 10 40 IDCB CCN(C(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33537120 ISNDNOWPVPWMAV-XTCQQWIJSA-N 428.557 1.907 10 40 IDCB COCCS(=O)(=O)Cc1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 96011293 UFARYVFXUVONBB-UHFFFAOYSA-N 430.460 1.662 10 40 IDCB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409227196 UDEPFQHPMVDNHD-VGOFMYFVSA-N 444.787 1.779 10 40 IDCB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 23866586 BZEMDAFVYLGLPN-UHFFFAOYSA-N 448.497 1.789 10 40 IDCB COCCNC(=O)COc1coc(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 56949933 FVLJMWSNDHYPND-UHFFFAOYSA-N 431.489 1.112 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C1(C)OCCO1)C[C@H]3O 5640067 DGYLVCLSZYZTEC-SPSFWMDKSA-N 442.420 1.356 10 40 IDCB CN1C(=O)C(=Cc2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)N(C)C1=S 59139160 WPWZBADOXGJINQ-UHFFFAOYSA-N 447.210 1.504 10 40 IDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(NC(C)=O)c3)[C@@H](C(N)=O)C2)cc1 257245233 IOQDMKQFDIFPGW-OAQYLSRUSA-N 439.516 1.577 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NN3CCN(C)CC3)C2=O)cc1OC 975579 QKULZTQRYPJEHZ-WJDWOHSUSA-N 436.559 1.184 10 40 IDCB COCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 12635724 KJUBFLVPNRUQOP-DHZHZOJOSA-N 428.577 1.987 10 40 IDCB COc1cc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 33773846 XEHCRUZLJFONHM-TZZQWBKVSA-N 427.456 1.842 10 40 IDCB CCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S 2196509 KADJXYWYIAHYMO-UVTDQMKNSA-N 434.543 1.645 10 40 IDCB COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 9215911 XEHUGKQSHVSUHK-HODWKROWSA-N 438.552 1.712 10 40 IDCB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 104134210 KMSSCWSHVANHII-KZNAEPCWSA-N 431.404 1.996 10 40 IDCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)N=C1C 101489252 NPNMFKACNFKBGU-IGVUGNCQSA-N 437.474 1.191 10 40 IDCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCCCN1CCOCC1 109291461 ABPZGHIHBMDDIS-QBFSEMIESA-N 426.901 1.423 10 40 IDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCOCC2)cc1 22998804 BYNKXNVCRBRIEA-OAQYLSRUSA-N 428.508 1.698 10 40 IDCB COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 36594140 XEHUGKQSHVSUHK-VBTYFWCOSA-N 438.552 1.712 10 40 IDCB COc1ccc(N2CCN(c3cnn([C@@H]4CCS(=O)(=O)C4)c(=O)c3Cl)CC2)cc1 9127251 CELXPDGYLAKAON-OAHLLOKOSA-N 438.937 1.592 10 40 IDCB COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)CC2)cc1 16163202 MTMCBJJACBUHSR-UHFFFAOYSA-N 433.530 1.917 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@H]3O)C2=O)c1OC 54361053 WVZJUVIFVRIULY-SEGKOBENSA-N 440.568 1.498 10 40 IDCB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccco1 17094826 WZKMBIPLEJJYNO-OALUTQOASA-N 426.473 1.817 10 40 IDCB COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 658610 PRPYVLIHLPGREP-RUDMXATFSA-N 443.275 1.266 10 40 IDCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCC3(CC1)OCCO3)c2NCCO 9348034 PTFFGFUQEODXHY-UHFFFAOYSA-N 436.464 1.845 10 40 IDCB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 12390333 YNOZPCPYXFDODM-IWDIYUMISA-N 440.568 1.498 10 40 IDCB COCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409195731 QDBAZYVVHVYMQM-PDGQHHTCSA-N 438.484 1.808 10 40 IDCB COc1cc(CN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 2596752 SLSOXGWTIVBFAC-FOWTUZBSSA-N 425.441 1.965 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1F 9972618 QBTRGXHSPAUNOB-UHFFFAOYSA-N 427.388 1.991 10 40 IDCB COc1cc(I)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OC 15013794 RREZTQXSLJWCTG-UHFFFAOYSA-N 446.266 1.907 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c(CO[C@H]3C[C@@H](N)[C@H](O)[C@@H](C)O3)cc(O)c1C2=O 5373209 ZWUZBDPCEHVMEZ-NTYKMOBDSA-N 429.425 1.222 10 40 IDCB CN(CCCC(=O)NCCCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383403 ZMJXDGHZLQWXGH-UHFFFAOYSA-N 444.509 1.361 10 40 IDCB CNS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 13590381 GBAGJKAKLYDYGD-GDNBJRDFSA-N 434.861 1.827 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C1(C)OCCO1)C[C@H]3O 5640068 DGYLVCLSZYZTEC-SFDCACGMSA-N 442.420 1.356 10 40 IDCB NC(=O)c1ccc(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1C(N)=O 9540521 WGTLOLCYNNTQQA-UHFFFAOYSA-N 449.444 1.461 10 40 IDCB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 9570067 MMGILNBEUYQOHG-UHFFFAOYSA-N 447.557 1.976 10 40 IDCB COc1cc(N2C(=O)/C(=C/NCCCn3ccnc3)C(=O)NC2=S)cc(OC)c1OC 19994990 DULOIHUTAJUBFQ-SDNWHVSQSA-N 445.501 1.220 10 40 IDCB COc1ccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216935371 OZIJALOUTABVIW-UHFFFAOYSA-N 446.573 1.529 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3)CC2)cc1 9570082 XDYYWNGUTGGIMD-UHFFFAOYSA-N 433.530 1.342 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 13575465 SGWHAYHXHQIDQH-HODWKROWSA-N 438.552 1.712 10 40 IDCB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13572475 DCDSSPOKSXBREU-AYFLJRIOSA-N 435.480 1.861 10 40 IDCB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2=O 8127933 ZNETYQYNCBWICP-SBUREZEXSA-N 428.533 1.982 10 40 IDCB COc1cccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216935280 RKLPZGFDABWKCP-UHFFFAOYSA-N 446.573 1.529 10 40 IDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 16524370 OYBDWSFQAAHDIB-UHFFFAOYSA-N 440.868 1.963 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)CC2)cc1 218305613 FIHSJOHAOCIELU-UHFFFAOYSA-N 448.501 1.718 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 22734040 INSXFXRZVDALTA-OAQYLSRUSA-N 426.492 1.946 10 40 IDCB CC(=O)Oc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 408757791 CCGXEUJHMUPOKX-UHFFFAOYSA-N 432.024 1.886 10 40 IDCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C(=N)N21 20207350 XFMZZXQNLUIHNM-UZIRPGAUSA-N 436.471 1.550 10 40 IDCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(N)=O 107974736 JCKUWRMRWNCSQF-SDQBBNPISA-N 442.291 1.818 10 40 IDCB CN1C(=O)/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(=O)NC1=S 409149602 KWMHVMCAIPTONQ-SLVCOGOPSA-N 426.498 1.193 10 40 IDCB Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc4c(c1)OCO4)CN=3)C(=O)N2 9465428 LNERPWLTSIZMKQ-ZPHPHTNESA-N 434.477 1.461 10 40 IDCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCCC4)co3)CC2)cc1 56949771 NRNYKHKSRZDGDY-UHFFFAOYSA-N 427.501 1.972 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 21150121 UREXOUKLIXGJCV-UHFFFAOYSA-N 428.518 1.319 10 40 IDCB CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 26112017 WOXMCXSVZWAYNU-UHFFFAOYSA-N 433.530 1.964 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 54360680 QVUOUYGJZJTQID-ULGHFJRLSA-N 440.568 1.588 10 40 IDCB CCN(CC(=O)NC(C)C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 9126459 KAXGHJOBCFTMSZ-UHFFFAOYSA-N 434.562 1.771 10 40 IDCB COc1cc(N2C(=O)/C(=C\NCCCn3ccnc3)C(=O)NC2=S)cc(OC)c1OC 101362428 DULOIHUTAJUBFQ-KAMYIIQDSA-N 445.501 1.220 10 40 IDCB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1C 408626745 WKFCKJACKDXCMS-UHFFFAOYSA-N 447.557 1.891 10 40 IDCB Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2322393 NINQFFAUJYCOBW-MLJKTZRHSA-N 446.554 1.787 10 40 IDCB COc1ccc(N2CCN(C(=O)CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32102951 QVQYSBQWEUYHQQ-SFHVURJKSA-N 436.512 1.513 10 40 IDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C(=O)N=C2S1 41084164 HZDYBNALOXKULD-KRLNTZMLSA-N 442.500 1.036 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1 216938106 DJYZVYHDDHNJPX-UHFFFAOYSA-N 434.537 1.660 10 40 IDCB CC[C@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O 5218088 PYFOXRACBORDCT-QKIXJAJISA-N 428.393 1.414 10 40 IDCB biogenic CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)snc2c1=O 49409842 SLOICJIEKUKBGL-UHFFFAOYSA-N 443.529 1.917 10 40 IDCB O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2n1 100048114 OESPFRYVCUTRKF-UHFFFAOYSA-N 433.419 1.891 10 40 IDCB endogenous,in-man CC(C)c1ccc(N2C(=O)/C(=C/N[C@H](Cc3c[nH]cn3)C(=O)O)C(=O)NC2=S)cc1 20358693 KTAFVAYRGTYUSS-HTRKUNOGSA-N 427.486 1.450 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 22734196 UDTMCCQETPESQB-HSZRJFAPSA-N 435.572 1.400 10 40 IDCB Cc1c2c(cc(=O)n1CCCN1CCOCC1)N[N@@H+](c1nc3ccccc3s1)C2=O 669458776 QMJQNCDSPCPHQO-UHFFFAOYSA-O 426.522 1.186 10 40 IDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409219540 NQJLSWNCHVYKCE-NTUHNPAUSA-N 444.787 1.779 10 40 IDCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC(N)=O)c1 9259553 IBEBSDVFSWWVOV-PXNMLYILSA-N 429.816 1.879 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 16283007 AEEDJWPSDOGIGG-UHFFFAOYSA-N 447.557 1.982 10 40 IDCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 247316691 KMSSCWSHVANHII-RCCFBDPRSA-N 431.404 1.996 10 40 IDCB CCN(C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 9252651 OTBJXAWSGHUWSH-ZWSXMNCCSA-N 430.598 1.985 10 40 IDCB CC(C)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccco2)SC1=S 9252718 ALZLXONBPZZPIW-IBCIGOPUSA-N 428.557 1.809 10 40 IDCB COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(OC)cc4)CC3)N2)cc1 12420937 ZOALNDDWTMEAEM-FQEVSTJZSA-N 437.500 1.709 10 40 IDCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(C(C)=O)cc4)N3)CC2)cc1 8758229 NTWCXDPDZJWLIA-NRFANRHFSA-N 449.511 1.903 10 40 IDCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 13590378 UGYRODYHKRJHIY-WJDWOHSUSA-N 449.872 1.685 10 40 IDCB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022250 IIPOPJAOWOLIQU-IXUBGXRBSA-N 435.480 1.859 10 40 IDCB COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 409115448 MLHDXVSORFBEPP-UHFFFAOYSA-N 449.529 1.340 10 40 IDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(I)c1 13654453 XSVRLXNJNSMFEA-HRYODUOUSA-N 445.282 1.992 10 40 IDCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13575277 QAWDXKFVMFMFKE-BFTHVDOESA-N 428.944 1.968 10 40 IDCB COc1ccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](CCCCN4CC(N)=O)C3)CC2)cc1 585285345 XRIUJCOKOOQAJK-SIKLNZKXSA-N 430.593 1.688 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c(OC)c1 13728731 QQHPROYGGSHOAH-MDCXSPIJSA-N 440.568 1.498 10 40 IDCB O=C(/C=C/c1ccc(O)c(O)c1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 95972245 TUJQVRVHHRWAAN-KRXBUXKQSA-N 449.481 1.754 10 40 IDCB COc1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccccc4F)c3=O)CC2)cc1 77099851 VLLOVAMFTOWAGE-UHFFFAOYSA-N 438.459 1.695 10 40 IDCB CCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C(=O)NC1=S 409391037 HCVAQJCKKRYTBJ-WEVVVXLNSA-N 446.266 1.955 10 40 IDCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 3174630 JRVZJXRGIKVTOB-UHFFFAOYSA-N 438.440 1.171 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)CC2)cc1 15279153 FAJFIBGBVSPQOX-UHFFFAOYSA-N 447.513 1.572 10 40 IDCB COc1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)[C@@H](C(N)=O)C2)cc1 257232855 GMSIPXRPVWDACV-LJQANCHMSA-N 440.500 1.471 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 9429568 FFKYIXUDXVISJA-GFAPJHNFSA-N 428.532 1.720 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O 9575394 BWAMXUZHCREIIZ-QRTYOACDSA-N 438.552 1.712 10 40 IDCB O=C(CN1C(=O)CSC1=S)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821507 INYZCSWMMIKIGI-UHFFFAOYSA-N 432.527 1.307 10 40 IDCB CC1(C)O[C@H]2O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@](C)(O)[C@H]2O1 8431304 QGQBMTUTSDTWIT-ZFVIQDPVSA-N 442.420 1.534 10 40 IDCB COc1cc(/C=C2/C(=O)NC(=O)N(CCCCCCNC(N)=O)C2=O)cc(OC)c1OC 8917724 COMDRIRIPOCXNX-UVTDQMKNSA-N 448.476 1.403 10 40 IDCB biogenic COc1cccc(/C=C2\SC(=S)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 9429394 HCLCQXGSLSIPDC-MLJKTZRHSA-N 440.568 1.542 10 40 IDCB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22999000 ZECNJNXHMVYKIP-QFIPXVFZSA-N 439.560 1.947 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C)cc3)CC2)cc1 7986131 VRCJMMXFBHIZBY-UHFFFAOYSA-N 425.485 1.625 10 40 IDCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 8824470 OAAULEIXIIZZKI-AWEZNQCLSA-N 437.543 1.737 10 40 IDCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 19643287 VSQMMCVWQAVRIQ-HKWRFOASSA-N 445.476 1.446 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 23857528 XBVKVFWQHAINQR-QFIPXVFZSA-N 438.528 1.816 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@@H]2C(=O)O)SC1=S 256055583 MCFNDZJVLNBVSP-HRYODUOUSA-N 437.474 1.954 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 33589470 IIEWAVPZPZRFGH-QQFZQELXSA-N 438.552 1.713 10 40 IDCB CC(=O)N1c2ccc(N/N=N/c3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)cc2NC(=O)C[C@H]1C 8695022 LTZVIDFLPGEJJP-SECBINFHSA-N 439.436 1.155 10 40 IDCB CN1CCN(Cc2cc(CN3CCc4c(nc(-c5cccnc5)[nH]c4=O)C3)ccc2O)CC1 72336828 BFCVFXFTAMWFOZ-UHFFFAOYSA-N 446.555 1.843 10 40 IDCB O=C1c2cccc(NCCCNCCO)c2C(=O)c2cccc(NCCCNCCO)c21 5461892 ZDFMCUHFIYMYTO-UHFFFAOYSA-N 440.544 1.230 10 40 IDCB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1 22666129 JAUYYHHMPMPLHQ-FQEVSTJZSA-N 447.561 1.928 10 40 IDCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OCC 408915592 YHNSBQBGBSNNKA-IZZDOVSWSA-N 426.878 1.937 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)CC2)cc1 3555639 OWFFMEOZAJYHMD-UHFFFAOYSA-N 436.468 1.448 10 40 IDCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl 12853622 YCIXUJIERWWYDM-UHFFFAOYSA-N 438.936 1.916 10 40 IDCB COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 13572105 XEHUGKQSHVSUHK-ULGHFJRLSA-N 438.552 1.712 10 40 IDCB CN1CCN(c2ccc(CN3CCN4C(=O)OC5(CN(C(=O)C6CC6)C5)[C@@H]4C3)cc2)CC1 1549160927 CADZYKAHKAPFAL-NRFANRHFSA-N 439.560 1.066 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 13572696 BTYKVDHRSZBPPA-HRYODUOUSA-N 428.532 1.672 10 40 IDCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](C)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 15276328 RFQSHITZNPMOTL-DVSDUFGPSA-N 426.425 1.703 10 40 IDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 56997517 PLBSNICXFABIOC-UHFFFAOYSA-N 435.546 1.813 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 33558580 SOQGTKOCVANQCO-NCPSJORJSA-N 440.568 1.542 10 40 IDCB COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 2417911 XEHCRUZLJFONHM-TXEUWIOXSA-N 427.456 1.842 10 40 IDCB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)n1 409098827 MECWATYYDKERHL-UHFFFAOYSA-N 429.414 1.984 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 9215818 GJQJIBRTWKJEBJ-MLJKTZRHSA-N 440.568 1.542 10 40 IDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCOCC2)cc1 22998927 OGRVQIKULWNAQG-LJQANCHMSA-N 440.500 1.610 10 40 IDCB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 44910947 PSBRZKPPRZGEQB-OAQYLSRUSA-N 445.541 1.757 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 9570086 WDOMMQJCZOOZFI-GOSISDBHSA-N 447.557 1.731 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)no1 23857674 NTIDSPWMVPPRGV-LJQANCHMSA-N 426.521 1.019 10 40 IDCB [N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 1857793040 ZWFOOMQCYIGZBE-INMHGKMJSA-N 444.558 1.189 10 40 IDCB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 19593750 LTRBSZUTCNJXDX-GXTWGEPZSA-N 437.257 1.980 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33584065 PTZHZNWJDHENMP-ZMTLZGASSA-N 426.516 1.844 10 40 IDCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 19819952 HKWWZBNYBNMQOG-HXUWFJFHSA-N 447.557 1.876 10 40 IDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22998978 YXUJSSZSXDHMKH-HXUWFJFHSA-N 441.488 1.789 10 40 IDCB Cc1ccc(N(C[C@H](O)[C@@H](O)[C@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 35572490 OOMLWVJCNNEQRU-CMFXCSMKSA-N 439.490 1.130 10 40 IDCB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16024967 RVFVSGVDHHYGIE-RSOWOLOUSA-N 435.480 1.859 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(OC)cc3)CC2)cc1 208969597 VEAXDSGHNHMWAM-MRXNPFEDSA-N 433.530 1.719 10 40 IDCB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)OCO2 9466974 FOVVIQHQOSDCQY-UHFFFAOYSA-N 435.440 1.453 10 40 IDCB COCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946011 YMWHOCANCQIIJD-LJQANCHMSA-N 430.505 1.030 10 40 IDCB COc1cccc(/C=c2\sc3n(c2=O)CN(c2cc(OC)c(OC)c(OC)c2)CN=3)c1 2325460 CGYLNIPQQOFNPQ-OCKHKDLRSA-N 441.509 1.828 10 40 IDCB O=C1C(=CNCCN2CCNCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 20058011 HVGXTVMBLLACNG-UHFFFAOYSA-N 431.581 1.821 10 40 IDCB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2S1 41083944 LIOSNJYOXQQESM-VUPRQACXSA-N 438.487 1.724 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)no1 22735008 HMOBQQGNIJACTG-HXUWFJFHSA-N 440.548 1.409 10 40 IDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(C)C 408816343 YIQUYPMXBYDKIB-UHFFFAOYSA-N 430.198 1.836 10 40 IDCB CN(C)S(=O)(=O)N1CCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCC4)CC1 79480637 JSXSASKAXGPAJV-UHFFFAOYSA-N 441.937 1.565 10 40 IDCB CC(C)CN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2276446 UBXOFIPLNSXZHS-PTNGSMBKSA-N 448.570 1.973 10 40 IDCB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccs2)SC1=S 13573921 ICQBAQJFAJYLTN-CHHQANOXSA-N 430.598 1.983 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22594383 JVFSDAKNQTYZEK-OAQYLSRUSA-N 427.524 1.935 10 40 IDCB CCOC(=O)C1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 27832175 IEMHVAVYGSUDRD-RVDMUPIBSA-N 429.429 1.153 10 40 IDCB COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 33537034 XEHUGKQSHVSUHK-KQAANWFRSA-N 438.552 1.712 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33543095 BSJIOURPBHPBHJ-JBARUQGQSA-N 438.508 1.043 10 40 IDCB O=C(c1cnccn1)N1CCc2nc(C3CCN(Cc4ccccc4O)CC3)[nH]c(=O)c2C1 72399017 DLLVSUIJZJDADB-UHFFFAOYSA-N 446.511 1.844 10 40 IDCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819890 HMJJHRYYXVBQLQ-IBGZPJMESA-N 433.530 1.833 10 40 IDCB COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32102953 QVQYSBQWEUYHQQ-GOSISDBHSA-N 436.512 1.513 10 40 IDCB CN(CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ncccn1 23173831 GPRVDZIJOWRILA-UHFFFAOYSA-N 430.420 1.870 10 40 IDCB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 19593748 LTRBSZUTCNJXDX-TZMCWYRMSA-N 437.257 1.980 10 40 IDCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)N3CCOCC3)CC2)cc1 25183975 NQBGUSQWSGDFDH-UHFFFAOYSA-N 432.506 1.373 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 33589912 FFKYIXUDXVISJA-OZYJXZHSSA-N 428.532 1.720 10 40 IDCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OS(=O)(=O)c1ccc(C)cc1 408889074 BKWBPAZIZIRNSU-UHFFFAOYSA-N 432.479 1.686 10 40 IDCB CNS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 13615013 OIUFCWCYAGLORX-GDNBJRDFSA-N 434.861 1.827 10 40 IDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 408531014 KBEYZETUXRAYOF-PKNBQFBNSA-N 442.344 1.595 10 40 IDCB COc1cc(N2C(=O)/C(=C/NCCN3CCCCC3)C(=O)NC2=S)cc(OC)c1OC 19994550 SGAUXAZENMYVAU-FYWRMAATSA-N 448.545 1.420 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1 9311651 AUVIKQLQNIBZJO-XNTDXEJSSA-N 425.466 1.969 10 40 IDCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 108974385 BKLUBXSSFBRKFT-OQLLNIDSSA-N 428.397 1.892 10 40 IDCB COc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1OC 9303570 OIWZAGCBAAGRBD-QUSDIPOHSA-N 443.485 1.572 10 40 IDCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 224812735 VGLZDQAPFHXEFW-UHFFFAOYSA-N 446.573 1.384 10 40 IDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)cc1 13656083 DMRPUMLLGCFCRV-QWXIZGFTSA-N 438.552 1.267 10 40 IDCB CC(C)[C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360721 LSIDSNLNNKRQKS-TVGBFMDESA-N 426.541 1.932 10 40 IDCB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)NCc4ccccc4)n3)CC2)cc1 61720205 MJLRFBIPQWBLCR-UHFFFAOYSA-N 433.512 1.895 10 40 IDCB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409224616 LISQIGIDOHIQDW-RIYZIHGNSA-N 444.787 1.779 10 40 IDCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NN1CCN(C)CC1 9481858 LUBBBIITDFRJSZ-AQTBWJFISA-N 428.518 1.588 10 40 IDCB COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 32765666 AVWMVDDCEJENOW-IBGZPJMESA-N 440.544 1.965 10 40 IDCB Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccc(N)cc1)[C@H]1CS(=O)(=O)C[C@H]1O 575426725 YWLBISSFWPADKZ-JKSUJKDBSA-N 430.935 1.584 10 40 IDCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C(=O)O)c3)C1=O)OCO2 12393144 FMNWOWMCFBCYFH-AWNIVKPZSA-N 426.406 1.953 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 33558579 SOQGTKOCVANQCO-GULXKOIASA-N 440.568 1.542 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33582099 FEVGDRNPJFQXOM-DELQEKLWSA-N 428.944 1.968 10 40 IDCB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 16681777 JCAJCYBDMLJWQY-UHFFFAOYSA-N 433.530 1.964 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCN3C)CC1 22734418 CHSHAEQREYWBIS-QHCPKHFHSA-N 441.620 1.923 10 40 IDCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)N=C1C 13681376 NPNMFKACNFKBGU-OJLMPMFISA-N 437.474 1.191 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccc(N(C)C)cc2)CC1 22594218 CKKQZJCPICSLKU-FQEVSTJZSA-N 429.590 1.535 10 40 IDCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(I)c1 101473485 XSVRLXNJNSMFEA-SJWLEHQBSA-N 445.282 1.992 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(N)=O 409223218 FYNNZWKAEVMXJH-VGOFMYFVSA-N 440.368 1.134 10 40 IDCB CCOc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc(I)c1O 9262601 HAEUAIFJSIBSJI-YWEYNIOJSA-N 432.239 1.652 10 40 IDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 13631930 BNQQKGGMDRZCOS-UHFFFAOYSA-N 439.484 1.884 10 40 IDCB Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)nc(C)n1 104090740 WUSZIDCGPNGZMK-FCQUAONHSA-N 444.477 1.289 10 40 IDCB CC(C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360718 ALZLXONBPZZPIW-KGTXMHTLSA-N 428.557 1.809 10 40 IDCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)C1=O 408526172 ACJVFCTUISJBFW-WYMLVPIESA-N 448.483 1.830 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(OC)c3)CC2)cc1 10188084 LNZLHTBLCDXRDP-UHFFFAOYSA-N 433.530 1.586 10 40 IDCB COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)C)CC2)cc1 57392159 IUKCVEUTVPUBJX-UHFFFAOYSA-N 426.521 1.410 10 40 IDCB COc1ccc(N2CCN(C[C@H](O)CN3CCCN(c4nc(C)ns4)CC3)CC2)cc1 108172157 OKDZVRGBKAMJHH-HXUWFJFHSA-N 446.621 1.550 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735023 RPWBRRIRGIVFAF-QHCPKHFHSA-N 441.620 1.923 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1 409217755 BDDDTXIKSNFSRH-OQLLNIDSSA-N 429.816 1.879 10 40 IDCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22666150 PUJRYMNZERRTED-NRFANRHFSA-N 447.561 1.928 10 40 IDCB COc1ccc(N2CCN(CCNC(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 56925352 XTNUTUSAWVHYJJ-IBGZPJMESA-N 437.544 1.922 10 40 IDCB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2=O 8127944 ZNETYQYNCBWICP-GAJHUEQPSA-N 428.533 1.982 10 40 IDCB CN1CCN(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 8819625 UHSAVIUKHXFAOO-ATVHPVEESA-N 448.570 1.675 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)Oc3ccccc3)CC2)cc1 9570084 WDOMMQJCZOOZFI-SFHVURJKSA-N 447.557 1.731 10 40 IDCB COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ncc(C(N)=O)c(C)n3)CC2)cc1 19756148 BFUVDRFFYXMQRC-HXUWFJFHSA-N 438.532 1.378 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 9043081 PSHJRJXMMBXNRL-UGMNDJHYSA-N 426.541 1.200 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)COc3cccc(C)c3)CC2)cc1 9570089 XIMHQWRSUROWFT-UHFFFAOYSA-N 447.557 1.651 10 40 IDCB CC(=O)c1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113391 JDXDKLBJHUTILF-UHFFFAOYSA-N 445.541 1.808 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 9043087 PSHJRJXMMBXNRL-QENILXLESA-N 426.541 1.200 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9429566 FFKYIXUDXVISJA-CKXDQPNJSA-N 428.532 1.720 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 408536783 XZSVQGMECURCAE-LFIBNONCSA-N 430.442 1.312 10 40 IDCB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 44910932 OVCAGIMUPXHVOR-FQEVSTJZSA-N 431.514 1.367 10 40 IDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 56997511 NCDBVJFHRDXTMS-UHFFFAOYSA-N 432.546 1.754 10 40 IDCB COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)CCS4(=O)=O)c3)CC2)cc1 11907029 HKVDIRVNWQRMRI-UHFFFAOYSA-N 429.498 1.724 10 40 IDCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCN1CCOCC1 19921400 UAGGCPDVSHBTJA-PGMHBOJBSA-N 430.505 1.547 10 40 IDCB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2=O 8127938 ZNETYQYNCBWICP-UZUQRXQVSA-N 428.533 1.982 10 40 IDCB COCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946009 YMWHOCANCQIIJD-IBGZPJMESA-N 430.505 1.030 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 216935978 AJNFPVNGEKESES-UHFFFAOYSA-N 434.537 1.660 10 40 IDCB CCN(C(=O)CCN1C(=O)/C(=C/c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 33537122 ISNDNOWPVPWMAV-GVIGZQTCSA-N 428.557 1.907 10 40 IDCB Cc1cc(N2CCN(CC(=O)NCc3cc([N+](=O)[O-])ccc3O)CC2)nc(C(C)C)n1 27545363 FEUSXVJWDWBPTD-UHFFFAOYSA-N 428.493 1.961 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 9348773 VMYKOHAOPOXCEN-OJNRTJSBSA-N 440.568 1.590 10 40 IDCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735816 YKODXOSAHKZVFP-HSZRJFAPSA-N 444.601 1.955 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCCN1CCCC1=O 9531139 HNQHKWCTRKYMPP-MHWRWJLKSA-N 447.538 1.745 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N\[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204012 GTFYXSJCBAJBAZ-JHBCHSCWSA-N 428.430 1.417 10 40 IDCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)NC2=S)cc1 408962669 JCUAHKHIFQLTMD-GZTJUZNOSA-N 425.466 1.781 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OC(C)=O 408762260 DKLIKMIJRLOBJZ-UHFFFAOYSA-N 446.222 1.139 10 40 IDCB O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21 5374358 SIDWSIHMDVGHMD-UHFFFAOYSA-N 440.544 1.230 10 40 IDCB CN1C(=O)/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(=O)NC1=S 409149601 KWMHVMCAIPTONQ-CIKBWMHTSA-N 426.498 1.193 10 40 IDCB CCOC(=O)CCc1c(C)c2ccc(O)c(CN[C@@]3(C)CCS(=O)(=O)C3)c2oc1=O 9530466 QWOLDCZHDDATKY-NRFANRHFSA-N 437.514 1.970 10 40 IDCB COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 33590088 SGWHAYHXHQIDQH-JXIANXGOSA-N 438.552 1.712 10 40 IDCB COC(=O)CN(Cc1cc(Cl)ccc1O)S(=O)(=O)N1CCC2(CC1)OCCO2 95461888 FCTORDCMAZTTCI-UHFFFAOYSA-N 434.898 1.104 10 40 IDCB CN1CCN([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22666138 ZLTJMZBBKOUACS-NRFANRHFSA-N 447.561 1.928 10 40 IDCB CN1CCN(c2ccc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 219272008 YNCABLKCJGVSEH-OAQYLSRUSA-N 444.557 1.282 10 40 IDCB CN1CCN(N2CNC3=N[C@@H](c4ccc(N(C)C)cc4)n4c(nc5ccccc54)N3C2)CC1 19172412 MGAWABCWRYQRJM-JOCHJYFZSA-N 445.575 1.808 10 40 IDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 23817927 RDUFRVVOFWZYQU-XMMPIXPASA-N 436.512 1.949 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3OC)S(C)(=O)=O)CC2)cc1 916659 PKVCISMPBYSNMA-UHFFFAOYSA-N 433.530 1.819 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 23134910 RRKXZJJKEFNQKD-UHFFFAOYSA-N 445.483 1.679 10 40 IDCB COc1ccc(N2CCN3c4ccccc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@H]3C2)cc1 9216063 QLQMXKQPTQTOIS-HXUWFJFHSA-N 434.496 1.983 10 40 IDCB Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cccc3cccnc23)cc1 575424467 ALCHWTNFFBXYNA-SJORKVTESA-N 433.511 1.170 10 40 IDCB CN1C(=O)C(=CNc2cc(C(=O)N3CCCC3)ccc2N2CCCC2)C(=O)N(C)C1=O 5813495 ONZKIZFJXAGHKJ-UHFFFAOYSA-N 425.489 1.869 10 40 IDCB O=C1N=C(O)N(c2ccc(I)cc2)C(=O)/C1=C/NN1CCCCC1 16946476 AZBNDDVHEIDLFJ-JLHYYAGUSA-N 440.241 1.953 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809570 DYQXRMRHXJEVNO-QFIPXVFZSA-N 439.560 1.805 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 223291365 LOFFGVXXWINMTB-UHFFFAOYSA-N 430.574 1.516 10 40 IDCB Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc4c(c1)OCO4)CN=3)C(=O)N2C 2211553 QLCWPUNTBNMVFM-HNENSFHCSA-N 434.477 1.177 10 40 IDCB COc1ccc(N2CCN(C(=O)CCNC3=NS(=O)(=O)c4ccccc43)CC2)cc1 9130908 VBQKHDQLQWSKKX-UHFFFAOYSA-N 428.514 1.473 10 40 IDCB CN1C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C(=O)N(C)C1=O 13865185 KAOMWIDMUPJQOK-UHFFFAOYSA-N 425.514 1.771 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)cc3)CC2)cc1 108497873 VEAXDSGHNHMWAM-INIZCTEOSA-N 433.530 1.719 10 40 IDCB COCCCN1C(=O)/C(=C/c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 2344425 VILSGQASILCCIX-UVTDQMKNSA-N 434.543 1.645 10 40 IDCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 224761222 XSDQVIDVLPQOFW-UHFFFAOYSA-N 433.530 1.469 10 40 IDCB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998998 ZECNJNXHMVYKIP-JOCHJYFZSA-N 439.560 1.947 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 33544303 LLADJUMTAPCQMG-ZBQKXELDSA-N 428.532 1.672 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22734953 OYUWEDXKPYYURA-DEOSSOPVSA-N 449.599 1.790 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007321 JBDMTKLVCQYADM-OAQYLSRUSA-N 438.528 1.816 10 40 IDCB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 57316656 VPRDUTWYVZBVKC-GQCTYLIASA-N 446.493 1.354 10 40 IDCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1 3189661 CJJGCBZXMUAOOC-UHFFFAOYSA-N 441.465 1.582 10 40 IDCB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 19593746 LTRBSZUTCNJXDX-JSGCOSHPSA-N 437.257 1.980 10 40 IDCB Cc1ccc(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 9708807 JVLPCCVWFLKGNS-UHFFFAOYSA-N 430.538 1.167 10 40 IDCB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 8747195 MRNAXUVEGFGOCA-UHFFFAOYSA-N 449.577 1.370 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 9348772 VMYKOHAOPOXCEN-NWFCWYBLSA-N 440.568 1.590 10 40 IDCB Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 36387033 BTERACXAPXSLMK-UHFFFAOYSA-N 444.557 1.478 10 40 IDCB COc1cccc(N2C(=O)NC(=O)/C(=C/N[C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)c1 20572197 RIRYJEUYCFJRRE-NIFLVVHWSA-N 425.397 1.153 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)c1 33545147 QMYRYZWIJZGMPI-ACLQVGRQSA-N 426.541 1.200 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCC(=O)O 408910012 INNOTNWCWDLACE-FPYGCLRLSA-N 429.248 1.178 10 40 IDCB Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2322395 NINQFFAUJYCOBW-GRRFOWRYSA-N 446.554 1.787 10 40 IDCB NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc1 13425309 SZWWHSBHHLMDJG-PDGQHHTCSA-N 426.429 1.725 10 40 IDCB COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ncc(C(N)=O)c(C)n3)CC2)cc1 19756150 BFUVDRFFYXMQRC-FQEVSTJZSA-N 438.532 1.378 10 40 IDCB COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccon3)c3ccco3)CC2)cc1 38637589 ZAYVNHGBTDASCC-GOSISDBHSA-N 439.472 1.894 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(N(C)C)cc2)CC1 22594368 RDPHAVDCCHMCHV-NRFANRHFSA-N 427.524 1.935 10 40 IDCB CN(C)S(=O)(=O)N1CCc2nc(C3CCN(Cc4ccccc4O)CC3)[nH]c(=O)c2C1 72399037 AIHLRFGFJBMWLU-UHFFFAOYSA-N 447.561 1.020 10 40 IDCB C[C@H]1c2cc3c(cc2CCN1CC(=O)NCCN1C(=O)CSC1=S)OCCCO3 9129286 QHNPCKSEDBWUJI-ZDUSSCGKSA-N 435.571 1.744 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 13576277 LLVWIRXIVKIQQQ-QENILXLESA-N 426.541 1.200 10 40 IDCB CC(C)N1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S 2284216 IATFNHJKWBADSH-KAMYIIQDSA-N 434.543 1.725 10 40 IDCB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9347892 IIPOPJAOWOLIQU-LVDCWYTKSA-N 435.480 1.859 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)CC2)cc1 9570279 UQBBEGIEXKRATL-UHFFFAOYSA-N 439.559 1.126 10 40 IDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 33793214 HATDPTBMWZTBED-KSSSLANASA-N 427.369 1.917 10 40 IDCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9264505 JQLYNXRVWIDRAZ-OVCLIPMQSA-N 435.483 1.862 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1OC 12390939 WVZJUVIFVRIULY-JFPDNLAHSA-N 440.568 1.498 10 40 IDCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 16196148 OFZBZNJPLJOSDN-QGOAFFKASA-N 437.452 1.394 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22809486 SUVKQSFDDLQQKU-JOCHJYFZSA-N 441.551 1.613 10 40 IDCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16160968 DHKNKFKFMPVDHL-YBEGLDIGSA-N 425.470 1.331 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 8995467 XUBMLKOLYOMNBS-GFAPJHNFSA-N 426.516 1.844 10 40 IDCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9429166 MLMNJASSVZPQEJ-BFTHVDOESA-N 430.960 1.845 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 8727004 MTTAJCOYQKHLTR-UHFFFAOYSA-N 448.545 1.574 10 40 IDCB CNC(=S)N(C)CCc1cc2c(c(OC)c1/C=C1\C(=O)N(C)C(=O)N=C1O)OCO2 17197963 LRAXUVJPBFSAII-WQLSENKSSA-N 434.474 1.334 10 40 IDCB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)no1 408654889 BWIQSADVBQYEQQ-KSZLIROESA-N 437.452 2.027 10 40 IDCB CCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 57015978 UCENDVBCNJEMRU-UHFFFAOYSA-N 426.521 1.554 10 40 IDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 408854591 JARMHCSOIADAJS-JYOAFUTRSA-N 425.309 1.719 10 40 IDCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408956494 XMMBVTXILVPYHU-NYYWCZLTSA-N 442.296 1.604 10 40 IDCB CCCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 57015982 SHYQMUJRMGTZAU-UHFFFAOYSA-N 440.548 1.944 10 40 IDCB COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1OC 103596475 OIWZAGCBAAGRBD-JJIJXQAVSA-N 443.485 1.572 10 40 IDCB CC(C)[C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 33526721 LSIDSNLNNKRQKS-KGTXMHTLSA-N 426.541 1.932 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 14703205 GQLWFTKLNAPODA-SFHVURJKSA-N 437.562 1.335 10 40 IDCB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccs2)SC1=S 13573916 ICQBAQJFAJYLTN-RITGAEKQSA-N 430.598 1.983 10 40 IDCB COc1ccc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(Cc4ccco4)C3=O)CC2)cc1 96230978 TZYYWKKJRYPZQV-IBGZPJMESA-N 426.473 1.838 10 40 IDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409223522 IGENRVAEZJSBHV-AWNIVKPZSA-N 444.787 1.779 10 40 IDCB CC(C)c1ccc(N2C(=O)/C(=C/N[C@H](CC[S@](C)=O)C(=O)O)C(=O)NC2=S)cc1 20392634 TXDABDCBXDIXON-VSLQKHFISA-N 437.543 1.253 10 40 IDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2[N+](=O)[O-])C1=O 408526899 CQSLOPGWHQUKGT-CMDGGOBGSA-N 438.356 1.764 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H]3CCN(S(C)(=O)=O)c4ccccc4O3)CC2)cc1 38851206 OENGXHOKMGMNMA-OAQYLSRUSA-N 445.541 1.961 10 40 IDCB COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 219434015 OSFPFBKMMABNFA-UHFFFAOYSA-N 443.525 1.969 10 40 IDCB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 1549162185 OSCDMIFFTYAGCL-HXUWFJFHSA-N 426.517 1.151 10 40 IDCB C[C@H]1O[C@H](Oc2cc3c(O)cc(O)cc3cc2-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O 2060993618 PZUBYRYFINTPOQ-QKSSGHHQSA-N 446.408 1.241 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3ccc(F)cc3)CC2)cc1 9570095 ATPCMUJRIZXXHJ-UHFFFAOYSA-N 435.521 1.645 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)CCCN3C)CC1 22734956 OYUWEDXKPYYURA-XMMPIXPASA-N 449.599 1.790 10 40 IDCB COc1ccc(N2CCN(C3=N[C@H](CC(=O)Nc4ccc(C(C)=O)cc4)C(=O)N3)CC2)cc1 13719077 VGBMNTZKMLTKHE-OAQYLSRUSA-N 449.511 1.903 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9348117 FEVGDRNPJFQXOM-HKMIMPICSA-N 428.944 1.968 10 40 IDCB CCN(C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9215915 ISNDNOWPVPWMAV-HLVNSREUSA-N 428.557 1.907 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22734214 MTZSZQVJYNRUQO-XMMPIXPASA-N 449.599 1.708 10 40 IDCB O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199406971 YUYNFWQOFDRQOG-NRFANRHFSA-N 425.529 1.863 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O 408951734 MNMGNVYHGMLAQL-AWNIVKPZSA-N 440.364 1.554 10 40 IDCB COc1ccc(N2CCN3c4ccccc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@@H]3C2)cc1 9216065 QLQMXKQPTQTOIS-FQEVSTJZSA-N 434.496 1.983 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3cccnc3)N=C2C)cc1 104214186 PGTGJIPJSDRKQW-BZROSYFNSA-N 428.430 1.417 10 40 IDCB COc1ccc(N2CCN(Cc3nnnn3CS(=O)(=O)c3ccc(C)cc3)CC2)cc1 20142087 RVBFQKFLOOEFOD-UHFFFAOYSA-N 442.545 1.744 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C1(C)OCCO1)C[C@@H]3O 5640070 DGYLVCLSZYZTEC-MYODQAERSA-N 442.420 1.356 10 40 IDCB CN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCS(=O)(=O)C1 9612573 RXYYOJJGZOBELN-CYBMUJFWSA-N 441.461 1.264 10 40 IDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 56997525 GJVXUEXLFQJGGD-UHFFFAOYSA-N 433.530 1.567 10 40 IDCB CNS(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408532786 RAOSVYIZUQTQDU-WJDWOHSUSA-N 430.442 1.182 10 40 IDCB CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)cc1 3067171 KIMMRMUIFZGPAF-UHFFFAOYSA-N 446.510 1.713 10 40 IDCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](CCCNC(N)=O)C(=O)O)cc2)SC1=S 8870003 HGBYPJBFEZKTFF-AUWXEVLLSA-N 436.515 1.149 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccccc3F)CC2)cc1 23134880 ROHLVIKRWXNIIO-UHFFFAOYSA-N 426.452 1.533 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408535867 UGAFJBDFAGNAOQ-SFQUDFHCSA-N 444.469 1.344 10 40 IDCB CN1C(=O)C(=Cc2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(=O)N(C)C1=S 6287802 UJUBQCVDYRELFQ-OAHLLOKOSA-N 440.525 1.535 10 40 IDCB CN1CCN(c2ccc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 219271965 YNCABLKCJGVSEH-NRFANRHFSA-N 444.557 1.282 10 40 IDCB COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)NC(=O)NC2=O)ccc1C 9439644 YHLULSHXWAPGFN-UHFFFAOYSA-N 430.442 1.466 10 40 IDCB CN1CCN([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22666155 PUJRYMNZERRTED-OAQYLSRUSA-N 447.561 1.928 10 40 IDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCOCC3)ccc21 22734924 HVUBENRTOVBRSZ-OAQYLSRUSA-N 442.585 1.936 10 40 IDCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 408547084 STDCIAWJPMTGOC-LGMDPLHJSA-N 425.401 1.472 10 40 IDCB Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccc(F)cc1 3248048 LKHGVZSEFKHTSX-UHFFFAOYSA-N 428.420 1.253 10 40 IDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1 8819565 BHMAHGHVPNWNMH-SSZFMOIBSA-N 449.554 1.818 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(F)cc1 108021340 XVZRFLVOVMUZKH-UHFFFAOYSA-N 429.429 1.766 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22822540 LNQVFPBVGQOKJR-QFIPXVFZSA-N 439.560 1.805 10 40 IDCB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 44910950 PSBRZKPPRZGEQB-NRFANRHFSA-N 445.541 1.757 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 818183 PYHDJEHCWVFPKO-UHFFFAOYSA-N 447.557 1.982 10 40 IDCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408967073 SASUIVHKEJHODN-OQLLNIDSSA-N 444.241 1.980 10 40 IDCB CCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2372826 AZLZSNGZMFUSBA-PTNGSMBKSA-N 429.571 1.976 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)c1 8972193 QMYRYZWIJZGMPI-QENILXLESA-N 426.541 1.200 10 40 IDCB COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)c3cnccn3)CC2)cc1 72342402 UKGOTGIXCGTQMM-UHFFFAOYSA-N 425.533 1.929 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4scc(C)n4c3=O)CC2)cc1 8594329 JZVPJRYEODLJRZ-UHFFFAOYSA-N 434.543 1.892 10 40 IDCB COc1ccc(N2CCN(C(=O)CN3CCC(Cc4cc(N)nc(C)n4)CC3)CC2)cc1 19758387 PPBAEVQNHBXIDK-UHFFFAOYSA-N 438.576 1.979 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1OC 409008921 AHPDMEXEQKARFR-UHFFFAOYSA-N 439.424 1.861 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCCCN3CCCCC3)C2=O)cc1OC 20266283 YLWDTCXHPPCJOV-VLGSPTGOSA-N 444.532 1.674 10 40 IDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 23817921 RDUFRVVOFWZYQU-DEOSSOPVSA-N 436.512 1.949 10 40 IDCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NN1CCN(C)CC1 36626328 LUBBBIITDFRJSZ-QGOAFFKASA-N 428.518 1.588 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H]3CSC[C@@H]3O)C2=O)c(OC)c1 36569312 QQHPROYGGSHOAH-CDZFANGXSA-N 440.568 1.498 10 40 IDCB COCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2335324 YMDOHXSPQZQCIR-SQFISAMPSA-N 446.554 1.769 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 9704729 BLRNKDQYOKAONH-UHFFFAOYSA-N 429.498 1.443 10 40 IDCB C[C@@H]1O[C@@H](O[C@@H]2CCc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1O 5437434 WSTWTUQSRFOFDZ-FPSQHQOLSA-N 439.464 1.570 10 40 IDCB CCN(C(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9252648 OTBJXAWSGHUWSH-KAQJVSAMSA-N 430.598 1.985 10 40 IDCB CN(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCS(=O)(=O)C1 13525021 RXYYOJJGZOBELN-ZDUSSCGKSA-N 441.461 1.264 10 40 IDCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCN1CCOCC1 17097459 WJOHURAYNHBJDI-RGEXLXHISA-N 431.449 1.056 10 40 IDCB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 44910929 OVCAGIMUPXHVOR-HXUWFJFHSA-N 431.514 1.367 10 40 IDCB CCOc1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(OC)cc54)c(=O)n3C2)cc1 2250132 LJUXXDSGDIYLSY-HNENSFHCSA-N 436.493 1.523 10 40 IDCB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 9157782 RNIQJTVWKWSWDA-UHFFFAOYSA-N 441.440 1.879 10 40 IDCB COc1c(I)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1[N+](=O)[O-] 9891821 ANKCAGHNOFQDHQ-UHFFFAOYSA-N 445.169 1.642 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3cccs3)C[C@@H]2C(=O)O)SC1=S 256055742 RKSUXNSEYNMNQB-VPMLRQHESA-N 425.513 1.876 10 40 IDCB COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 56997217 BOKNVEDYISMMRO-UHFFFAOYSA-N 446.573 1.498 10 40 IDCB C[C@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482556 SPAUHPJCDWZAAW-GOSISDBHSA-N 430.574 1.909 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3cnc4c(nnn4-c4ccccc4)c3=O)CC2)cc1 58191411 JETCKDKAZPNIKB-UHFFFAOYSA-N 445.483 1.335 10 40 IDCB CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 57485869 YMPKAYYYVOJZLC-UHFFFAOYSA-N 442.541 1.992 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCN3C)CC1 22734342 ODHCFEQVDDAHFW-OAQYLSRUSA-N 441.601 1.462 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)CCN3C)CC1 23857696 VXJOITWKFHKOGC-QFIPXVFZSA-N 439.535 1.861 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33544870 XUTCIECHSMFPIZ-OZYJXZHSSA-N 426.516 1.844 10 40 IDCB COC(=O)COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139378 STQDMUAIDKPXIP-UHFFFAOYSA-N 427.276 1.600 10 40 IDCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)NC2=S)c1 408963391 NTOQJCGBTNRCOZ-LICLKQGHSA-N 425.466 1.781 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 12321807 YGHQEXPHIWCODQ-KKSFZXQISA-N 425.485 1.689 10 40 IDCB COCCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2n[nH]c(=O)c-2c1 42380758 SXEBJROJGFERNA-UHFFFAOYSA-N 425.489 1.684 10 40 IDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409066515 OXGOZUGMCOHWAP-UHFFFAOYSA-N 436.829 1.866 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N[C@@H]1CSC[C@@H]1O 13690396 NDIPWDJSNZJMBX-YAQSFRCLSA-N 438.552 1.599 10 40 IDCB COc1ccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 4763829 VPDDZUJNXCRYMB-UHFFFAOYSA-N 428.514 1.889 10 40 IDCB CCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)snc2c1=O 49409808 AZCZHKJTLITSQN-UHFFFAOYSA-N 429.502 1.527 10 40 IDCB Cc1ccc(N(C[C@H](O)[C@@H](O)[C@@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 31934173 OOMLWVJCNNEQRU-GVPMLXQZSA-N 439.490 1.130 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)c(OC)c1 36569313 QQHPROYGGSHOAH-NLSDRPCYSA-N 440.568 1.498 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 39192727 VVSHISOFVVANJV-OAQYLSRUSA-N 443.500 1.935 10 40 IDCB CN(C)c1ccc(CNC[C@@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@H](O)[C@H](O)C2)cc1 107283811 XBTNSOMOWJBMGZ-JKHIJQBDSA-N 448.585 1.827 10 40 IDCB biogenic,in-vitro O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1nn[nH]n1 408537226 ZMKVVQDKWVCAHQ-GZTJUZNOSA-N 433.472 2.246 10 40 IDCB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1OC 113946212 PATXMNAFRMMAKO-UHFFFAOYSA-N 433.530 1.760 10 40 IDCB Cc1cc(S(N)(=O)=O)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408529847 KFNBWZRBIPDVLA-FMIVXFBMSA-N 434.861 1.875 10 40 IDCB COc1ccc(CN2[C@@H]3CN(Cc4ccc(O)c(O)c4)C[C@@H]3OCCS2(=O)=O)cc1 1534645801 GDSFVZGELMTNGY-NQIIRXRSSA-N 434.514 1.521 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 36569673 YGHQEXPHIWCODQ-IIBYNOLFSA-N 425.485 1.689 10 40 IDCB Cc1ccc(CN(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 224831274 RPYVHBKZMORXED-UHFFFAOYSA-N 444.601 1.825 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 12596577 LQLRWKZHTSAFLU-UHFFFAOYSA-N 437.500 1.814 10 40 IDCB CN1C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=O)CCC(=O)O)C(=O)N(C)C1=O 2407492 NUEJPLGIURURGT-UHFFFAOYSA-N 426.429 1.125 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)C1=O 33585888 LMRNJEOBUNBHHY-NWFCWYBLSA-N 438.552 1.713 10 40 IDCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2 408534858 RMMUXZMKVUJTJD-SOFYXZRVSA-N 431.338 1.512 10 40 IDCB CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc1OC 408916342 CDKFZCJPRYAHQZ-UITAMQMPSA-N 446.266 1.955 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2ccc3c(c2)CCCN3C)CC1 22735026 RPWBRRIRGIVFAF-HSZRJFAPSA-N 441.620 1.923 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22734085 UUESGRONLMATLQ-QFIPXVFZSA-N 438.528 1.816 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733871 CVGLRSPYUITXGJ-HSZRJFAPSA-N 436.556 1.793 10 40 IDCB COc1ccc(N2CCN(C(=O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 72405482 QVVDAWDROAXXDJ-GOSISDBHSA-N 432.546 1.831 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccon2)c2ccc3c(c2)CCCN3C)CC1 22735062 VTJKFKBHNZLOGO-LJQANCHMSA-N 426.521 1.100 10 40 IDCB C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2cccs2)SC1=S 9348341 ICQBAQJFAJYLTN-ANVWZWGWSA-N 430.598 1.983 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13572016 SOQGTKOCVANQCO-MLJKTZRHSA-N 440.568 1.542 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)N[C@@H]2C=CS(=O)(=O)C2)C1=O 9575397 BWAMXUZHCREIIZ-HODWKROWSA-N 438.552 1.712 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)CC2)cc1 38851192 KXMXIVMVCZVLEW-HXUWFJFHSA-N 431.514 1.571 10 40 IDCB O=S(=O)(c1ccc(NC(=S)NCCc2ccc(O)c(O)c2)cc1)N1CCOCC1 3315177 GRHDZSQFJOUISC-UHFFFAOYSA-N 437.543 1.648 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33585558 XUBMLKOLYOMNBS-FYQHACEVSA-N 426.516 1.844 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)c1OC 54361052 WVZJUVIFVRIULY-NLPBANIMSA-N 440.568 1.498 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N\[C@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204006 GTFYXSJCBAJBAZ-MODMUFLJSA-N 428.430 1.417 10 40 IDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22998912 WVOLISQMFSZSSZ-FQEVSTJZSA-N 441.488 1.789 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 33545800 PSHJRJXMMBXNRL-ZBQKXELDSA-N 426.541 1.200 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCOCC3)ccc21 22733997 WYDQERDWLGBNPC-HXUWFJFHSA-N 428.558 1.546 10 40 IDCB COc1cc(N2C(=O)/C(=C\NCCN3CCCCC3)C(=O)NC2=S)cc(OC)c1OC 101362450 SGAUXAZENMYVAU-SQFISAMPSA-N 448.545 1.420 10 40 IDCB COC(=O)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)NC1=S 409208712 CKNGODUEXXETMN-YHYXMXQVSA-N 429.248 1.143 10 40 IDCB Cc1cc(C(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccccc1 9703966 WECFTTBUEOKHJR-UHFFFAOYSA-N 449.467 1.267 10 40 IDCB CN1CCN(Cc2cc(CN3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)ccc2O)CC1 19590061 UPWCHVINLLABHY-UHFFFAOYSA-N 446.555 1.843 10 40 IDCB CCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57093664 CXMSSPFPYCOQCV-UHFFFAOYSA-N 426.521 1.175 10 40 IDCB CC(=O)N1CCN(CCN/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)CC1 1850791 QKYPGESYNOWWEL-XDJHFCHBSA-N 435.484 1.060 10 40 IDCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408527656 DSVJCVHIRMLTIY-LFIBNONCSA-N 428.470 1.790 10 40 IDCB CC(C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccco2)SC1=S 13572470 ALZLXONBPZZPIW-QWXNSNQZSA-N 428.557 1.809 10 40 IDCB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022251 IIPOPJAOWOLIQU-GXDMMTTBSA-N 435.480 1.859 10 40 IDCB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccco1 17094825 WZKMBIPLEJJYNO-MOPGFXCFSA-N 426.473 1.817 10 40 IDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccccc1F 223106108 OFPQSGFVBMHIHZ-UHFFFAOYSA-N 435.521 1.740 10 40 IDCB Cc1ccc(CN(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 224478152 DPBJELSTLUEKOZ-UHFFFAOYSA-N 431.558 1.910 10 40 IDCB COc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 33590087 SGWHAYHXHQIDQH-KQAANWFRSA-N 438.552 1.712 10 40 IDCB CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)CC1 36386921 BVOFCIADVHJLFU-UHFFFAOYSA-N 430.574 1.961 10 40 IDCB O=C1NC(=O)C(=Cc2cc(Br)cc(I)c2O)C(=O)N1 146735424 OIBTVSOQSGXQET-UHFFFAOYSA-N 436.987 1.509 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998823 AJRHADFTXSQDLN-NRFANRHFSA-N 426.517 1.889 10 40 IDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cccc3cccnc23)cc1 575424457 ALCHWTNFFBXYNA-DLBZAZTESA-N 433.511 1.170 10 40 IDCB CC[C@H](C)N1C(=O)/C(=C/NCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)NC1=S 20622906 QDFMBQRWRGBIRT-GJSJWPQCSA-N 445.501 1.769 10 40 IDCB CN1CCN(NC(=O)CCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)CC1 27530516 UHSAVIUKHXFAOO-SFQUDFHCSA-N 448.570 1.675 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1 8443623 PYKUJWKOTDMNRI-DHDCSXOGSA-N 425.397 1.234 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3cccs3)C[C@H]2C(=O)O)SC1=S 256055741 RKSUXNSEYNMNQB-BZPKPHBRSA-N 425.513 1.876 10 40 IDCB CC(=O)N1c2ccc(N/N=N/c3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)cc2NC(=O)C[C@@H]1C 8695023 LTZVIDFLPGEJJP-VIFPVBQESA-N 439.436 1.155 10 40 IDCB CCc1cc(=O)oc2c(CN3CCN(S(=O)(=O)N(C)C)CC3)c(O)c(Cl)cc12 79464396 DTVXYBLQZMCNOE-UHFFFAOYSA-N 429.926 1.638 10 40 IDCB COc1ccc2c3c(n(CCN=c4nc[nH]n4C)c(=O)c2c1OC)-c1ccccc1C3=O 604404366 FPSHYMAJXVABKZ-UHFFFAOYSA-N 431.452 1.893 10 40 IDCB biogenic COc1ccc(N2CCN(C(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)CC2)cc1 916633 JQVTYPXXEVAQKY-UHFFFAOYSA-N 433.530 1.819 10 40 IDCB COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 9121356 RVDJFTZRDMVELA-UHFFFAOYSA-N 446.529 1.281 10 40 IDCB CN1C(=O)C(=CNc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C(=O)N(C)C1=O 9439567 QJGAHXNSURYCOX-UHFFFAOYSA-N 434.518 1.986 10 40 IDCB NC(=O)CC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870183 DTUGRGUBPBYBLU-QONQRSDHSA-N 447.538 1.669 10 40 IDCB COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3ccccc3)CC2)cc1 8991771 JRSOVHRNEKDQMZ-NRFANRHFSA-N 436.512 1.375 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccccc3OC)CC2)cc1 9570064 SRTRJUPGMBTWHQ-UHFFFAOYSA-N 433.530 1.586 10 40 IDCB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 19593744 LTRBSZUTCNJXDX-OCCSQVGLSA-N 437.257 1.980 10 40 IDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(N)=O 108053172 ASBOCSXJZRPYSJ-QPEQYQDCSA-N 446.257 1.783 10 40 IDCB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(C(C)=O)cc4)N3)CC2)cc1 8758232 NTWCXDPDZJWLIA-OAQYLSRUSA-N 449.511 1.903 10 40 IDCB COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3\SC(=S)N(C)C3=O)n(C)c1=O)S2 3020661 CTYSISBATJTQDB-NFLUSIDLSA-N 437.593 1.362 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 8995468 XUBMLKOLYOMNBS-CKXDQPNJSA-N 426.516 1.844 10 40 IDCB COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 2417913 XEHCRUZLJFONHM-DKBJHAQFSA-N 427.456 1.842 10 40 IDCB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NCc1cc([N+](=O)[O-])ccc1O 58174726 WVGMWACJRNEGIL-UHFFFAOYSA-N 427.461 1.839 10 40 IDCB CC(C)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 33537005 ALZLXONBPZZPIW-TVGBFMDESA-N 428.557 1.809 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(CC(=O)OCC)C2=O)SC1=S 4918989 TTZRXKIUWHOQQO-MDZDMXLPSA-N 434.542 1.045 10 40 IDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@@H]3O)C2=O)cc1 54361041 DMRPUMLLGCFCRV-QNVQFBBUSA-N 438.552 1.267 10 40 IDCB C[C@@H](C(=O)NCc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482555 SPAUHPJCDWZAAW-SFHVURJKSA-N 430.574 1.909 10 40 IDCB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(F)cc4)N3)CC2)cc1 8758194 AGMZSUUNWKKUGH-LJQANCHMSA-N 425.464 1.840 10 40 IDCB CC(C)[C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360720 LSIDSNLNNKRQKS-TZRLYZKDSA-N 426.541 1.932 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCC2)c2ccc3c(c2)CCCN3C)CC1 22734962 WRSNSXLOEDUPQZ-JOCHJYFZSA-N 427.593 1.533 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33590037 KJRNDMHZWDGEQZ-ALFJJAPYSA-N 428.944 1.968 10 40 IDCB CCN1C(=O)C(=CNc2ccc(S(=O)(=O)N(C)OC)cc2)C(=O)N(CC)C1=S 9705386 OZXZZTIZPWYLCG-UHFFFAOYSA-N 426.520 1.160 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(N(C)C)cc2)CC1 22594388 QQINUSPFSARIOS-NRFANRHFSA-N 427.524 1.935 10 40 IDCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)NC[C@H]1CCCO1 409210511 KPNOBMQWDUQPCO-ZCWPUFOUSA-N 431.514 1.855 10 40 IDCB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNCCCN3CCOCC3)c2oc1=O 20622471 PCLHGJYHZUELDL-UHFFFAOYSA-N 438.908 1.988 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 627935 CLOZQKFCCVAUJH-UHFFFAOYSA-N 433.530 1.673 10 40 IDCB CCN1C(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C(=O)N(CC)C1=S 25561717 FFTLLIDZHLIILM-KRWDZBQOSA-N 428.514 1.721 10 40 IDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@H]3O)C2=O)cc1 54361043 DMRPUMLLGCFCRV-IUBKPTGXSA-N 438.552 1.267 10 40 IDCB COc1ccc(CCC(=O)N2CCN(Cc3nnnn3-c3ccc(OC)cc3)CC2)cc1 23134916 UBIYSBLSLBWJST-UHFFFAOYSA-N 436.516 1.957 10 40 IDCB CCCOc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC 408803355 NXSBEHQOIUNPHB-UHFFFAOYSA-N 430.198 1.838 10 40 IDCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2n1 22079550 RCKSFTADGFUAOM-UHFFFAOYSA-N 430.494 1.885 10 40 IDCB O=C1Nc2ccc(Cl)cc2/C1=c1/sc2n(c1=O)CN(c1ccc3c(c1)OCO3)CN=2 783138 UIMPPTFXLJHLKW-MSUUIHNZSA-N 440.868 1.498 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 13573376 KPJZRDIHYPWWCZ-OJNRTJSBSA-N 438.552 1.713 10 40 IDCB CN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)C(=O)NC1=S 408910048 IWZGSTUXCZSATQ-FARCUNLSSA-N 433.667 1.822 10 40 IDCB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC(C)C)c1C 17297263 NFJUDBAYCXJRNN-UHFFFAOYSA-N 425.488 1.625 10 40 IDCB COCCCN1C(=O)/C(=C/c2c(NCCCO)nc3ccccn3c2=O)SC1=S 1829808 GXRGNHNSSVQMIA-OWBHPGMISA-N 434.543 1.727 10 40 IDCB COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc([N+](=O)[O-])c1O 36613190 SOHSRRKWYZLCAB-OITNDJBGSA-N 442.427 1.828 10 40 IDCB CC(C)[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2ccco2)SC1=S 9252726 ALZLXONBPZZPIW-MXSNAFFESA-N 428.557 1.809 10 40 IDCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)c1 101085220 JBIDNQWJUCBULC-GXDHUFHOSA-N 425.397 1.689 10 40 IDCB COCCCNC(=O)Cn1c(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 8450549 IXNKWGLHNXUQQP-UHFFFAOYSA-N 442.541 1.701 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 409240704 UYQVDNTXBOMWBY-XSFVSMFZSA-N 449.463 1.899 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c(CO[C@H]3C[C@@H](N)[C@@H](O)[C@@H](C)O3)cc(O)c1C2=O 5373203 ZWUZBDPCEHVMEZ-XTLVESMISA-N 429.425 1.222 10 40 IDCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCCCC1 4506032 AZBNDDVHEIDLFJ-RAXLEYEMSA-N 440.241 1.748 10 40 IDCB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 25266552 ZWOIMYRGHCTTDV-UHFFFAOYSA-N 448.497 1.804 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998865 MOAHKQFSOXBJAV-OAQYLSRUSA-N 426.517 1.889 10 40 IDCB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4ccc(O)c(O)c4)C3)C2)c1 604382080 CLOQXJUQRNOCPO-LJQANCHMSA-N 439.512 1.518 10 40 IDCB biogenic,in-vitro COc1cccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 33543658 KPJZRDIHYPWWCZ-QQFZQELXSA-N 438.552 1.713 10 40 IDCB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 100929567 ILXSYZAUNGACNW-BMRADRMJSA-N 432.521 1.530 10 40 IDCB CCN(CC)CCCN/C=C1\C(=O)NC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 20442383 NYDJRNLTOOBFQW-BMRADRMJSA-N 448.589 1.695 10 40 IDCB CC(C)N1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)C(=O)N(Cc2ccco2)C1=O 2178750 KREWFCQOVMXSDO-MHWRWJLKSA-N 432.458 1.622 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 22734193 UDTMCCQETPESQB-QHCPKHFHSA-N 435.572 1.400 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C1(C)OCCO1)C[C@@H]3O 5640071 DGYLVCLSZYZTEC-DAOPMYJZSA-N 442.420 1.356 10 40 IDCB COc1ccc(N2CCN(c3cnn([C@H]4CCS(=O)(=O)C4)c(=O)c3Cl)CC2)cc1 9127252 CELXPDGYLAKAON-HNNXBMFYSA-N 438.937 1.592 10 40 IDCB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc2c(c1)OCCO2 9466972 DMOPTJMOHNBBJL-UHFFFAOYSA-N 449.467 1.495 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 9508012 XEVFCGDSKHJIJR-HNNXBMFYSA-N 428.514 1.471 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)/C=C\c3ccc4c(c3)OCO4)CC2)cc1 23134868 ZBWONQBEQAGPHL-OQFOIZHKSA-N 448.483 1.757 10 40 IDCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409252304 XFNYQTBXJITROD-XMHGGMMESA-N 435.436 1.591 10 40 IDCB COCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946156 CFFYBSFUVLWHPL-HXUWFJFHSA-N 444.532 1.420 10 40 IDCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCN1CCOCC1 19638474 WIMQZKZTDQEQRL-RGEXLXHISA-N 443.529 1.758 10 40 IDCB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33589666 QAWDXKFVMFMFKE-GKWYLQRDSA-N 428.944 1.968 10 40 IDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)OC 59139775 JFPCRVIQQSHYCL-UHFFFAOYSA-N 426.878 1.889 10 40 IDCB Cc1ccc(N2C(=O)/C(=C\c3c(O)[nH]c(=O)[nH]c3=O)C(=O)N(c3ccccc3)C2=S)cc1 16292715 FXLJMBICSFMANI-WJDWOHSUSA-N 448.460 1.826 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21 23857582 JTAXDIOSXBCRMW-QHCPKHFHSA-N 436.556 1.527 10 40 IDCB CCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S 2339992 BDHNWXBDPPWPHI-KAMYIIQDSA-N 434.543 1.645 10 40 IDCB COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 9019538 PXAZIUZPOHUQOQ-UVTDQMKNSA-N 434.543 1.909 10 40 IDCB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2 11906455 KXQGPKURHZFAMM-UHFFFAOYSA-N 438.483 1.899 10 40 IDCB Cc1[nH]cnc1CSCCNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 40268143 NOCWOQQQJNJCHV-UHFFFAOYSA-N 426.502 1.671 10 40 IDCB CN1CCN(N2CNC3=N[C@H](c4ccc(N(C)C)cc4)n4c(nc5ccccc54)N3C2)CC1 19172414 MGAWABCWRYQRJM-QFIPXVFZSA-N 445.575 1.808 10 40 IDCB CC[C@@H](C)N1C(=O)/C(=C/NCc2nc(-c3ccc(OC)c(OC)c3)no2)C(=O)NC1=S 20622903 QDFMBQRWRGBIRT-VSXLWIIGSA-N 445.501 1.769 10 40 IDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 9798423 MYJRGQSEQHSYDP-UHFFFAOYSA-N 448.523 1.554 10 40 IDCB O=C1NC(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 3067185 YYQOQAZEMQLSOZ-UHFFFAOYSA-N 436.902 1.968 10 40 IDCB CC(C)c1ccc(N2C(=O)/C(=C/N[C@H](CC[S@@](C)=O)C(=O)O)C(=O)NC2=S)cc1 20392628 TXDABDCBXDIXON-SJOODYTMSA-N 437.543 1.253 10 40 IDCB CN1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929690 YSXBUWQNMLDWET-QFIPXVFZSA-N 435.532 1.853 10 40 IDCB COc1ccccc1/C=C1/SC(=S)N(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O 33558528 GJQJIBRTWKJEBJ-NCPSJORJSA-N 440.568 1.542 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3cnc4cc(OC)c(OC)cc4c3=O)CC2)cc1 20735777 WSIBVMXRBHQFOF-UHFFFAOYSA-N 438.484 1.771 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1 9851525 IFZLVRVXLFEEAB-RIYZIHGNSA-N 429.816 1.879 10 40 IDCB COCCCN1C(=O)NC(=O)/C(=C\NCC2(c3ccc(OC)cc3)CCOCC2)C1=O 20625296 RTWKNTOTIDIWST-NBVRZTHBSA-N 431.489 1.332 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 9429397 HCLCQXGSLSIPDC-GRRFOWRYSA-N 440.568 1.542 10 40 IDCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13575274 QAWDXKFVMFMFKE-BPLGCGBFSA-N 428.944 1.968 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N3CCOCC3)ccc21 22734043 INSXFXRZVDALTA-NRFANRHFSA-N 426.492 1.946 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 9303016 KPJZRDIHYPWWCZ-NWFCWYBLSA-N 438.552 1.713 10 40 IDCB COc1cccc(N2C(=O)/C(=C/N3CCN(C(=O)c4ccco4)CC3)C(=O)NC2=S)c1 105966090 UMLGYWDDQMZVSH-DTQAZKPQSA-N 440.481 1.378 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)CCO)cc3)C2=O)c(C)c1 408528034 DXSHCMULNOIUJT-SFQUDFHCSA-N 443.481 1.648 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 33545801 PSHJRJXMMBXNRL-ACLQVGRQSA-N 426.541 1.200 10 40 IDCB COc1ccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)cc1 49409877 FGXRRZPVNWEGLY-UHFFFAOYSA-N 443.529 1.773 10 40 IDCB CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 59140078 RJHJQPPNOPXNME-UHFFFAOYSA-N 441.303 1.990 10 40 IDCB O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(O)c(O)c3)C2)C1 604381945 WDIPBTPUCYVCKF-QGZVFWFLSA-N 427.476 1.648 10 40 IDCB biogenic,in-vitro COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)N4CCOCC4)co3)CC2)cc1 56949786 DMHSTANXYQMPBG-UHFFFAOYSA-N 443.500 1.208 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 219673810 CDWIEDZNSIYUBJ-UHFFFAOYSA-N 442.541 1.289 10 40 IDCB COc1ccc(N2CCN(C(=O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 72405483 QVVDAWDROAXXDJ-SFHVURJKSA-N 432.546 1.831 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCOCC3)ccc21 22734049 FESJUTOCXOWCPB-NRFANRHFSA-N 426.492 1.946 10 40 IDCB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@H]3O)C2=O)c1 36576643 YNOZPCPYXFDODM-FNMRRAOTSA-N 440.568 1.498 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409006708 KHCYVYCVKMMMMQ-UHFFFAOYSA-N 425.466 1.935 10 40 IDCB COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)c1 19848977 GUCGBFPPJOURLV-SUWCGCSTSA-N 426.425 1.703 10 40 IDCB CCOC(=O)N1CCN(c2cc(NCCO)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 9129737 QEBHOVPZRMWZRP-UHFFFAOYSA-N 438.484 1.727 10 40 IDCB COc1ccc(N2CCCN(CC3CCN(C(=O)CCn4cnnn4)CC3)CC2)cc1 72338562 JAPRSCDIAWQIQS-UHFFFAOYSA-N 427.553 1.523 10 40 IDCB O=C1N=C(S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCN1CCNCC1 102583056 XAFXQGYZUVSCOY-KAMYIIQDSA-N 427.452 1.243 10 40 IDCB O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(CCS(=O)(=O)O)C1=O 8821644 QORQOKZLAORBMG-KTKRTIGZSA-N 449.329 1.860 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 23857526 XBVKVFWQHAINQR-JOCHJYFZSA-N 438.528 1.816 10 40 IDCB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 408923808 KJBXULQFVHYKEO-UHFFFAOYSA-N 445.478 1.327 10 40 IDCB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 409008630 ZADOTHOGPTZRRK-UHFFFAOYSA-N 441.465 1.636 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c(CO[C@H]3C[C@@H](N)[C@@H](O)[C@H](C)O3)cc(O)c1C2=O 5373206 ZWUZBDPCEHVMEZ-PKDKWNHZSA-N 429.425 1.222 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33582101 FEVGDRNPJFQXOM-ZTFCMROMSA-N 428.944 1.968 10 40 IDCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C(=O)NC2=S)cc1 107585196 UHCXUXZVMLPZPD-MHWRWJLKSA-N 439.493 1.953 10 40 IDCB Cn1c(=O)c2c(nc(NN3C(=O)CSC3=S)n2CCCc2ccccc2)n(C)c1=O 32815341 SZGRCIXGCJMGBN-UHFFFAOYSA-N 444.542 1.254 10 40 IDCB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 225087263 IAIJUJYFVINURU-UHFFFAOYSA-N 429.498 1.655 10 40 IDCB NC(=O)CC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870182 DTUGRGUBPBYBLU-QFNZTKGDSA-N 447.538 1.669 10 40 IDCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc2c(c1)n(C)c(=O)n2C 108422596 DHKNKFKFMPVDHL-MHWRWJLKSA-N 425.470 1.331 10 40 IDCB CN(C)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2208767 SKKXAPNAJXMNNR-JLHYYAGUSA-N 442.257 1.299 10 40 IDCB O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199406957 YUYNFWQOFDRQOG-OAQYLSRUSA-N 425.529 1.863 10 40 IDCB CN1CCN(c2ccc(CN3CCN4C(=O)OC5(CN(C(=O)C6CC6)C5)[C@H]4C3)cc2)CC1 1549160939 CADZYKAHKAPFAL-OAQYLSRUSA-N 439.560 1.066 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sc(C)cn4c3=O)CC2)cc1 8589457 PSEJYEWTKSAWJE-UHFFFAOYSA-N 434.543 1.892 10 40 IDCB COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCC(C)C)CC2)cc1 9001549 SANKAEUKYUVHRD-UHFFFAOYSA-N 440.548 1.815 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)no1 22734903 AMJIVLFNBOMNJM-IBGZPJMESA-N 427.505 1.494 10 40 IDCB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 102463905 OJENYFQJZDHAKT-NHSARVKJSA-N 427.442 1.283 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(F)cc3)C[C@H]2C(=O)O)SC1=S 256055584 MCFNDZJVLNBVSP-IAOKNECISA-N 437.474 1.954 10 40 IDCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 2807052 UYHCXTBVVIBPAJ-UHFFFAOYSA-N 436.829 1.866 10 40 IDCB CN(C)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408526182 AFDPDVWXIHNENK-WYMLVPIESA-N 434.456 1.951 10 40 IDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 13675582 HUIXSSFGKHSABN-UHFFFAOYSA-N 447.513 1.334 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)CC2)cc1 6136626 VUYKPXQPCVFKRR-UHFFFAOYSA-N 435.521 1.945 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007324 JBDMTKLVCQYADM-NRFANRHFSA-N 438.528 1.816 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)[C@@H]1CCS(=O)(=O)C1 33539309 BTYKVDHRSZBPPA-SJWLEHQBSA-N 428.532 1.672 10 40 IDCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(N)=O 108026541 MUXRCLKNJBYELA-RIYZIHGNSA-N 446.257 1.783 10 40 IDCB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1CCS(=O)(=O)C1 9429168 MLMNJASSVZPQEJ-BPLGCGBFSA-N 430.960 1.845 10 40 IDCB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)C=[N+]=[N-])[C@H](C(N)=O)C(C)C 1857523931 UCEIOCVZSHDHQA-OALUTQOASA-N 445.520 1.536 10 40 IDCB CN(Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O 10113460 JKTMTJZTJPJTSR-UHFFFAOYSA-N 447.557 1.610 10 40 IDCB Cc1oc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1S(=O)(=O)N1CCCC1 48236838 SZHSDZAWDOTBIG-UHFFFAOYSA-N 446.529 1.239 10 40 IDCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 113957890 RVHOAMWAMNAYAZ-UHFFFAOYSA-N 445.541 1.474 10 40 IDCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408895602 LNZLKELSIIGLRI-UHFFFAOYSA-N 447.381 1.121 10 40 IDCB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 15285774 QCBSYYOUTAEQCL-UHFFFAOYSA-N 428.514 1.965 10 40 IDCB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2=O 8127929 ZNETYQYNCBWICP-HXOBKFHXSA-N 428.533 1.982 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCc3ccccc3)CC2)cc1 9570101 XHZPBBMNGSMQTJ-UHFFFAOYSA-N 431.558 1.896 10 40 IDCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 28207321 MSFMQBGEADJFSP-UHFFFAOYSA-N 433.530 1.673 10 40 IDCB CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1=O 57477568 GDZHCOFGXKVBLP-UHFFFAOYSA-N 436.512 1.931 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408766355 UQJAFTDMEQSRMN-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)NCCc1ccc(O)c(O)c1 34897895 LKBMNQBOJKKCOE-UHFFFAOYSA-N 432.473 1.650 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NCc3cccs3)CC2)cc1 38488563 OQJRKLLRGIJRNS-UHFFFAOYSA-N 438.575 1.708 10 40 IDCB O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9580377 RAECKKPXEWRGTG-UHFFFAOYSA-N 442.840 1.618 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 23134904 ZSOFIPHNQXYKHT-UHFFFAOYSA-N 446.467 1.735 10 40 IDCB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 103560483 JRRDAKRPILHDMS-KZNAEPCWSA-N 431.404 1.996 10 40 IDCB O=C1N=C(S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCN1CCOCC1 103226857 KCNIULMRRSOWJV-KAMYIIQDSA-N 428.436 1.670 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1 408888403 ZORXWBRNPGRAJW-UHFFFAOYSA-N 432.479 1.767 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 408892438 BJBLPZHYKKJBTN-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 12516595 VIGURFNWGDRQDQ-UHFFFAOYSA-N 443.548 1.487 10 40 IDCB COC(=O)[C@@H](Cc1ccc(O)cc1)N/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20589001 NGUWQSSHKAFLPM-XUDLPTGHSA-N 439.424 1.241 10 40 IDCB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 62825016 YMJPRKOKDBOVNU-UYLKYBOVSA-N 428.557 1.905 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 8720592 UYGDOIWMWQDAKB-UHFFFAOYSA-N 448.545 1.574 10 40 IDCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1O 8951905 RPROYRRTLHHSDE-UHFFFAOYSA-N 446.266 1.994 10 40 IDCB COCCNC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383329 ANGCVCYFKDSMTP-UHFFFAOYSA-N 444.509 1.625 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)[C@H]1CCS(=O)(=O)C1 33539310 BTYKVDHRSZBPPA-JGWKKKPCSA-N 428.532 1.672 10 40 IDCB CC(=O)N1CCN(CCN/C=C2\C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)CC1 103098243 QKYPGESYNOWWEL-CYVLTUHYSA-N 435.484 1.901 10 40 IDCB COc1ccc(NC(=O)C[C@H]2N=C(N3CCN(c4ccc(OC)cc4)CC3)NC2=O)cc1 13730838 AWGCULQSQQAPNY-HXUWFJFHSA-N 437.500 1.709 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 20572184 UALCIRISIPAAGQ-WPNIOXTASA-N 448.435 1.929 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4ccccc4F)CC3)[C@@H](C(N)=O)C2)cc1 257317342 VJJTXAOOUDPOQJ-JOCHJYFZSA-N 442.535 1.842 10 40 IDCB Cc1cc(O)nc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[N+](=O)[O-])n1 409100964 WECZLMIRYBNMFQ-UHFFFAOYSA-N 429.414 1.984 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1 12527211 KBBXMSQKFAGNOC-UHFFFAOYSA-N 428.489 1.449 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2nccs2)c2ccc3c(c2)CCCN3C)CC1 22735315 PGAJNMLFXFEPLB-IBGZPJMESA-N 442.589 1.569 10 40 IDCB COc1ccc(N2CCN(C(=O)Cn3nc(N4CCC(C)CC4)ccc3=O)CC2)cc1 61719349 OOURHSONWSGQQC-UHFFFAOYSA-N 425.533 1.837 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccc3c(c2)CCN3C)CC1 22734339 ODHCFEQVDDAHFW-NRFANRHFSA-N 441.601 1.462 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)CC2)cc1 96394825 HUHBXLZHQIFVDS-GOSISDBHSA-N 448.531 1.631 10 40 IDCB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1 2777309 GSLISMDLFDORJL-UHFFFAOYSA-N 445.478 1.327 10 40 IDCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N(C)C)C1=O 408533227 OGVCZWFKPKQSAF-ZHACJKMWSA-N 436.428 1.922 10 40 IDCB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9224201 LTDKCLRSSGTZKN-UHFFFAOYSA-N 437.481 1.729 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O 33585887 LMRNJEOBUNBHHY-OJNRTJSBSA-N 438.552 1.713 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N3CCOCC3)ccc21 22734046 FESJUTOCXOWCPB-OAQYLSRUSA-N 426.492 1.946 10 40 IDCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1CN1C(=O)CNC1=O 23204088 GMDQZAOTHJRYHM-UHFFFAOYSA-N 438.484 1.620 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(CC(=O)OCC)C2=O)SC1=S 1592587 TTZRXKIUWHOQQO-KTKRTIGZSA-N 434.542 1.045 10 40 IDCB CC(C)[C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)N1C(=O)/C(=C/c2ccco2)SC1=S 33526723 LSIDSNLNNKRQKS-HSNXVVJJSA-N 426.541 1.932 10 40 IDCB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 40156920 NAAGKCNFLNYQGL-GOSISDBHSA-N 444.557 1.569 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)no1 23857672 NTIDSPWMVPPRGV-IBGZPJMESA-N 426.521 1.019 10 40 IDCB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)Nc4nc(C)cs4)n3)CC2)cc1 61719835 TVLNCDUERJZKPO-UHFFFAOYSA-N 440.529 1.982 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 23135248 AIGHAMLKFGVMLY-UHFFFAOYSA-N 437.460 1.749 10 40 IDCB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCN(CCO)CC2)SC1=S 618254470 CBMCAQSTBVILMI-KCGBVJQISA-N 449.598 1.472 10 40 IDCB O=C(CCCN1C(=O)CSC1=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3331994 RDCGSZMRRLIASO-UHFFFAOYSA-N 443.572 1.287 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1 9429622 SGWHAYHXHQIDQH-KQXKAXQNSA-N 438.552 1.712 10 40 IDCB COc1ccc(N2CCN(C(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)CC2)cc1 14400810 RYHJSLZFDKGGQF-UHFFFAOYSA-N 447.557 1.814 10 40 IDCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(N)=O)C2=O)o1 34878482 LRKLSKZSBIGLJB-NVNXTCNLSA-N 442.428 1.089 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)c1 33545146 QMYRYZWIJZGMPI-ZBQKXELDSA-N 426.541 1.200 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)[C@@H](C(N)=O)C2)cc1 257214555 CMKWOHYMABELCO-JOCHJYFZSA-N 442.535 1.842 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\[C@H]3C(=O)NC(=S)N(c4ccccc4)C3=O)C2=O)cc1 100137472 CKZASBIIUSLSHV-SFKKXYGYSA-N 448.460 1.568 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H]1CCS(=O)(=O)C1 9353148 KAAGCYZLXDJIKW-NUBYWOLOSA-N 430.960 1.845 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 22734444 XXIJHAYCCSHLHK-XMMPIXPASA-N 449.599 1.443 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(O)[nH]c(=O)n(-c4ccc(C)cc4)c3=O)C2=O)cc1 2738840 WRRYSFFNHXZGIJ-GZTJUZNOSA-N 446.419 1.515 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809685 RJYUROOHOLSBGY-OAQYLSRUSA-N 439.560 1.805 10 40 IDCB COc1ccc(N2CCN(c3nnc(SCC(=O)N4CCOCC4)s3)CC2)cc1 23139971 KWQBVQZDFCAIET-UHFFFAOYSA-N 435.575 1.824 10 40 IDCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1 3188246 XLJORGUKDWROQS-UHFFFAOYSA-N 425.397 1.417 10 40 IDCB COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 13572111 XEHUGKQSHVSUHK-KQXKAXQNSA-N 438.552 1.712 10 40 IDCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCC(N)=O)C(=O)O)C2=O)cc1 8870088 KQEIGESNUYJEHX-PCRWRXJSSA-N 435.527 1.421 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2ccc3c(c2)CCN3C)CC1 22734261 AHFHXCWYMUOAMU-JOCHJYFZSA-N 427.593 1.533 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)no1 22734900 AMJIVLFNBOMNJM-LJQANCHMSA-N 427.505 1.494 10 40 IDCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 25183915 KLVRGWKGWYCVBJ-INIZCTEOSA-N 446.533 1.810 10 40 IDCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 35339591 TYRHOTANEKQAFU-ZHZULCJRSA-N 430.464 1.962 10 40 IDCB CN1C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C(=O)N(C)C1=O 9315983 DCYRZZJCEPYIKI-UHFFFAOYSA-N 440.909 1.861 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 22809480 SUVKQSFDDLQQKU-QFIPXVFZSA-N 441.551 1.613 10 40 IDCB COC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OC)C2=O)SC1=S 2289224 QFAWSCYMPWRNIH-MDZDMXLPSA-N 434.542 1.045 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 13655699 UWQZLVYDGXBXPS-BPLGCGBFSA-N 430.960 1.845 10 40 IDCB COc1ccc(N2CCN(C[C@@H](O)CN3CCCN(c4nc(C)ns4)CC3)CC2)cc1 95466761 OKDZVRGBKAMJHH-FQEVSTJZSA-N 446.621 1.550 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c(OC)c1 408963321 MYHLOMFKXSZFCP-OQLLNIDSSA-N 425.397 1.234 10 40 IDCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/NCc3ccc4c(c3)OCO4)C2=O)c1 2393464 JBIDNQWJUCBULC-UVTDQMKNSA-N 425.397 1.689 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9348451 PTZHZNWJDHENMP-OJLMPMFISA-N 426.516 1.844 10 40 IDCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733874 CVGLRSPYUITXGJ-QHCPKHFHSA-N 436.556 1.793 10 40 IDCB COc1ccc(OC)c(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@@H]3O)C2=O)c1 36576639 YNOZPCPYXFDODM-BNWMYTBQSA-N 440.568 1.498 10 40 IDCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(F)cc4)N3)CC2)cc1 8758198 AGMZSUUNWKKUGH-IBGZPJMESA-N 425.464 1.840 10 40 IDCB C[C@@H]1c2cc3c(cc2CCN1CC(=O)NCCN1C(=O)CSC1=S)OCCCO3 9129285 QHNPCKSEDBWUJI-CYBMUJFWSA-N 435.571 1.744 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCC(=O)O 408916784 HJTZYWRZCDTMHB-RUDMXATFSA-N 443.275 1.568 10 40 IDCB CC(C)c1ccc(N2C(=O)/C(=C/N[C@@H](CC[S@@](C)=O)C(=O)O)C(=O)NC2=S)cc1 20392625 TXDABDCBXDIXON-YKSYMFDYSA-N 437.543 1.253 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 22734366 YYIFLWBKXHTFRY-JOCHJYFZSA-N 439.535 1.861 10 40 IDCB Cn1c(=O)c(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 100261134 KIRVBVJCBBKLFD-KAMYIIQDSA-N 442.431 1.719 10 40 IDCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCC(=O)Nc2cccc(C)c2)c1 409043034 PGGWJNYPCMOMFQ-UHFFFAOYSA-N 425.466 1.935 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 22734441 XXIJHAYCCSHLHK-DEOSSOPVSA-N 449.599 1.443 10 40 IDCB COc1cccc2c1C(=O)c1c(O)c(CO[C@H]3C[C@@H](N)[C@H](O)[C@H](C)O3)cc(O)c1C2=O 5373210 ZWUZBDPCEHVMEZ-KGLJMXTNSA-N 429.425 1.222 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33584063 PTZHZNWJDHENMP-IGVUGNCQSA-N 426.516 1.844 10 40 IDCB CCc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(OC)cc3)CC2)s1 21150102 AVZXDMLSFATDRK-UHFFFAOYSA-N 448.574 1.801 10 40 IDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F 220092647 DFVLMAUSBLALDS-UHFFFAOYSA-N 439.484 1.884 10 40 IDCB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 16038570 KMSSCWSHVANHII-KSZLIROESA-N 431.404 1.996 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408534781 RDXMZRRSOSLHAO-ZKTNYTPDSA-N 440.412 1.783 10 40 IDCB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](C)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1 36033883 RFQSHITZNPMOTL-GEYWLOKFSA-N 426.425 1.703 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)cc1 20572186 UALCIRISIPAAGQ-XYSGSMRZSA-N 448.435 1.929 10 40 IDCB COc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc(OC)c1OC 33773845 XEHCRUZLJFONHM-DAVUEJTQSA-N 427.456 1.842 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(N)=O 409223434 FNAUGKIGZBRCMX-AWNIVKPZSA-N 445.815 1.585 10 40 IDCB CCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)C(=O)NC1=S 409393544 YFUKNFGAJOKUFU-XBXARRHUSA-N 432.239 1.652 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 21150027 DGIAKFNBXWSFAM-UHFFFAOYSA-N 432.481 1.317 10 40 IDCB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33589665 QAWDXKFVMFMFKE-ALFJJAPYSA-N 428.944 1.968 10 40 IDCB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1 225218144 FZEKKTZGBJTXJI-UHFFFAOYSA-N 439.563 1.838 10 40 IDCB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566838 RVFVSGVDHHYGIE-PAXILDSZSA-N 435.480 1.859 10 40 IDCB O=C(CSc1nccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 48325674 RNAAEKQXXJJHRV-UHFFFAOYSA-N 428.517 1.677 10 40 IDCB Cc1cc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)no1 408654886 BWIQSADVBQYEQQ-FGTMMUONSA-N 437.452 2.027 10 40 IDCB Cc1ccc(Cl)cc1S(=O)(=O)N(c1ccc(N)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 575426722 YWLBISSFWPADKZ-CVEARBPZSA-N 430.935 1.584 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 33589469 IIEWAVPZPZRFGH-LERPTODRSA-N 438.552 1.713 10 40 IDCB Cc1cccc2c(=O)c(/C=C3\C(=O)N4C(=S)NN[C@H]4N(c4ccccc4)C3=O)c(O)[nH]c12 68590011 FHSOOGISHXTCPC-SDQNTSPESA-N 447.476 1.477 10 40 IDCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C2=O)cc1 8870087 KQEIGESNUYJEHX-LFGHMXSPSA-N 435.527 1.421 10 40 IDCB CC1=C(O)[C@@H](O)[C@@H](O)[C](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O1 1560406109 TTXGKVWJEKHXAN-QZTJIDSGSA-N 445.356 1.692 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OC 6878784 YADRHJRDPWBQSO-UHFFFAOYSA-N 430.198 1.742 10 40 IDCB COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)c1 36594142 XEHUGKQSHVSUHK-RLYUOEPHSA-N 438.552 1.712 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1 225078519 KQLMPWFPSKHICR-UHFFFAOYSA-N 429.498 1.860 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4cccc(F)c4)CC3)[C@@H](C(N)=O)C2)cc1 257306855 SWHKVMVZMUDFMY-JOCHJYFZSA-N 442.535 1.842 10 40 IDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N(C)C)ccc21 13008603 AONYYFIDXCNSPJ-FQEVSTJZSA-N 438.528 1.833 10 40 IDCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C2=O)c(C)c1 408532416 MOZOFUXDSXEBOF-MHWRWJLKSA-N 428.470 1.838 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408767097 VPVNIARRBGAYOC-UHFFFAOYSA-N 433.423 1.277 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1 9429400 IIEWAVPZPZRFGH-OJNRTJSBSA-N 438.552 1.713 10 40 IDCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCOCC3)ccc21 22733933 CKNHCSIYGAEUNG-QFIPXVFZSA-N 440.519 1.624 10 40 IDCB O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 59488799 GQYSMDUGXOVATF-UHFFFAOYSA-N 437.481 1.836 10 40 IDCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)CCO)cc3)C2=O)cc1 100558408 WVSYCWVKBGZVFZ-ATVHPVEESA-N 429.454 1.340 10 40 IDCB COc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-] 9311203 QMOJORLGKMOYID-UHFFFAOYSA-N 433.183 1.122 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCC(=O)O 408916904 IKFRWHLWYGPMGE-RUDMXATFSA-N 443.275 1.568 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)C2=O)c(OC)c1 409009463 ADHHMKTXXDFXJL-RVDMUPIBSA-N 427.413 1.800 10 40 IDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22998996 OKXHQGGHEALFQS-FQEVSTJZSA-N 441.488 1.789 10 40 IDCB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 2077159 ASLNPCKEZHFSCW-UHFFFAOYSA-N 445.478 1.327 10 40 IDCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)cc2)SC1=S 8870002 HGBYPJBFEZKTFF-OQZOHAQUSA-N 436.515 1.149 10 40 IDCB COc1ccc(N2CCN([C@@H](CNS(C)(=O)=O)c3ccc4c(c3)OCO4)CC2)cc1 22851681 VVRKHLVZZHADRL-IBGZPJMESA-N 433.530 1.836 10 40 IDCB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3F)S(C)(=O)=O)CC2)cc1 223485407 BSGXILPXUURLPB-UHFFFAOYSA-N 435.521 1.945 10 40 IDCB Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1/N=N/c1ccc(S(N)(=O)=O)cc1 17312740 AQEKZNZVRDAJTC-QURGRASLSA-N 433.475 1.922 10 40 IDCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 113832686 VXCYBKCOQKQCHZ-UHFFFAOYSA-N 432.479 1.686 10 40 IDCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1OC 15018652 JEIFMRANHGDPLZ-UHFFFAOYSA-N 432.239 1.613 10 40 IDCB CN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 1805283 WQVTUJOCJFBFFR-RAXLEYEMSA-N 429.527 1.227 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13575899 XUTCIECHSMFPIZ-CKXDQPNJSA-N 426.516 1.844 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 23134883 GYZVSCIRIIBYQO-UHFFFAOYSA-N 426.452 1.533 10 40 IDCB Cc1ccc(N(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216934337 NJVOHVDUJVOAAP-UHFFFAOYSA-N 430.574 1.829 10 40 IDCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NCCN1CCOCC1 19359379 KCNIULMRRSOWJV-SDNWHVSQSA-N 428.436 1.259 10 40 IDCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)O 409056660 NEIPMUORKDBTIW-DHDCSXOGSA-N 426.381 1.921 10 40 IDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCOCC3)ccc21 21886966 UXLNUFRGJMUAOE-HSZRJFAPSA-N 436.556 1.875 10 40 IDCB COc1ccc(N2CCN(C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)CC2)cc1 22230715 ZAYUFFDAQKCWTR-UHFFFAOYSA-N 433.530 1.819 10 40 IDCB COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)CC2)cc1 20245671 YFDUHDQJQMXCMA-UHFFFAOYSA-N 432.546 1.900 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998867 MOAHKQFSOXBJAV-NRFANRHFSA-N 426.517 1.889 10 40 IDCB C[C@H]1O[C@@H](O[C@@H]2CCc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O 5437436 WSTWTUQSRFOFDZ-NSUJPVSUSA-N 439.464 1.570 10 40 IDCB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccco1 17094824 WZKMBIPLEJJYNO-RBUKOAKNSA-N 426.473 1.817 10 40 IDCB COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 1462424 GODTXCTXFJQLCD-UHFFFAOYSA-N 429.498 1.579 10 40 IDCB COc1ccc(N2CCC(N(CCN3CCOCC3)C(=O)Cc3nonc3C)CC2)cc1 19558913 CUWBKGQLZMHUGD-UHFFFAOYSA-N 443.548 1.759 10 40 IDCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1N1CCOCC1 409124485 ANAXSWFIGLEUOW-QGOAFFKASA-N 431.514 1.727 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33585559 XUBMLKOLYOMNBS-OZYJXZHSSA-N 426.516 1.844 10 40 IDCB CN1C(=O)C(=Cc2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(=O)N(C)C1=S 6287797 UJUBQCVDYRELFQ-HNNXBMFYSA-N 440.525 1.535 10 40 IDCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C(=O)OC)cc3)nnc2n1 12412119 XKCHSVXRFCDVIP-UHFFFAOYSA-N 430.494 1.900 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9348620 KSXFJJZAURNSHR-HRYODUOUSA-N 428.532 1.672 10 40 IDCB COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 9570094 ZYRRQYIGWGXMBT-UHFFFAOYSA-N 447.557 1.515 10 40 IDCB COC(=O)COc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 34690220 SUPPPMZACJOKHG-ZSOIEALJSA-N 427.369 1.617 10 40 IDCB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3N)CC2)cc1 71327508 UBXJSSMGOQSBCN-UHFFFAOYSA-N 425.514 1.560 10 40 IDCB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4ccccc4O)[C@H]4CO[C@@H]3O4)c2cc1OC 1534639901 OPIPUFBRAHZTLS-CSEOROSGSA-N 427.457 1.575 10 40 IDCB COc1cc(/C=C2/SC(=S)N(C=C3C(=O)NC(=O)NC3=O)C2=O)cc(OC)c1OC 17223298 WUFPTJDKPDTVMJ-WUXMJOGZSA-N 449.466 1.164 10 40 IDCB COc1ccc(N2CCN(CCNS(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 56997512 HMWAOIKLDLPMBB-UHFFFAOYSA-N 435.546 1.813 10 40 IDCB CCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S 2373551 CPHQUNQZQXVVFS-KAMYIIQDSA-N 443.554 1.617 10 40 IDCB Cc1ccc(S(=O)(=O)c2ccc(NNC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 9120204 TUTQDFFUIIRJJX-UHFFFAOYSA-N 428.470 1.679 10 40 IDCB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)Nc4cccc(C)n4)n3)CC2)cc1 61718437 HQIQCDSPDWCFIF-UHFFFAOYSA-N 434.500 1.921 10 40 IDCB CN1C(=O)NC(=O)/C(=C\NN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)C1=O 408534878 ROYJMNYEUAGLEL-YRNVUSSQSA-N 443.213 1.295 10 40 IDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCOCC3)ccc21 21886969 UXLNUFRGJMUAOE-QHCPKHFHSA-N 436.556 1.875 10 40 IDCB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(OC)cc1)CN=3)C(=O)N2 2246659 CVLITVAJOYVJGE-HNENSFHCSA-N 436.493 1.523 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)CC1 216940339 UAZWPKFPUPWKBL-UHFFFAOYSA-N 445.589 1.368 10 40 IDCB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)s2)cc1 105630470 VPGCRFZUGFNFLY-YZLQMOBTSA-N 425.466 1.911 10 40 IDCB COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 56997775 KYCAUMVEQGDTIW-UHFFFAOYSA-N 430.936 1.903 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22822562 LNQVFPBVGQOKJR-JOCHJYFZSA-N 439.560 1.805 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@H]3CSC[C@@H]3O)C2=O)c1OC 54361051 WVZJUVIFVRIULY-OSQPMKLMSA-N 440.568 1.498 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3c(F)cccc3F)CC2)cc1 9570073 ZXHMDTDNDSBMIZ-UHFFFAOYSA-N 439.484 1.855 10 40 IDCB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1Cl 12933383 HCJQJJHBOPJSOI-UHFFFAOYSA-N 439.924 1.160 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC(=O)O 9234520 XRCWEMXKRLFLPD-UHFFFAOYSA-N 427.207 1.355 10 40 IDCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22734082 UUESGRONLMATLQ-JOCHJYFZSA-N 438.528 1.816 10 40 IDCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N(C)C)cc3C)CC2)cc1 28207534 JZQHIHQSGWIZCC-UHFFFAOYSA-N 447.557 1.982 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)N[C@H]2C=CS(=O)(=O)C2)C1=O 9575392 BWAMXUZHCREIIZ-ULGHFJRLSA-N 438.552 1.712 10 40 IDCB CN1c2cc(F)c(NS(=O)(=O)c3cccc4nsnc34)cc2N(C)S1(=O)=O 575613930 YKDPAKQMEGBOEM-UHFFFAOYSA-N 429.480 1.762 10 40 IDCB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cc(OC)c(OC)c(OC)c2)CN=3)cc1 2358131 NOEYPZMMNCXYQX-OCKHKDLRSA-N 441.509 1.828 10 40 IDCB COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)cc1 3067174 AQGMFVAIANBPDS-UHFFFAOYSA-N 432.483 1.323 10 40 IDCB CCN(C(=O)[C@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 9302704 YMJPRKOKDBOVNU-ZIYUKDECSA-N 428.557 1.905 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13575429 KJRNDMHZWDGEQZ-BPLGCGBFSA-N 428.944 1.968 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)CC2)cc1 38851193 NVNWRNZIFWYAMU-OAQYLSRUSA-N 445.541 1.879 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4cccc(F)c4)CC3)[C@H](C(N)=O)C2)cc1 257306856 SWHKVMVZMUDFMY-QFIPXVFZSA-N 442.535 1.842 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc([N+](=O)[O-])c1O 408937087 MKTZUNSDIKIVHX-WUXMJOGZSA-N 427.325 1.674 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 13574298 KSXFJJZAURNSHR-IAOKNECISA-N 428.532 1.672 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1CCS(=O)(=O)C1 33589913 FFKYIXUDXVISJA-FYQHACEVSA-N 428.532 1.720 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O 409222094 AWEHORATPXHLRZ-VGOFMYFVSA-N 429.816 1.879 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 33585603 VMYKOHAOPOXCEN-LERPTODRSA-N 440.568 1.590 10 40 IDCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)c1 409221248 NKMUPRIQUIVGTJ-XSFVSMFZSA-N 449.463 1.899 10 40 IDCB COc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113347 PYYLQQJEWMNCEQ-UHFFFAOYSA-N 433.530 1.614 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc3c(c2)CCN3C)CC1 22734421 CHSHAEQREYWBIS-HSZRJFAPSA-N 441.620 1.923 10 40 IDCB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)c3ccccc3)C2)n1 72344772 SHEATOSFNXAPCL-QGZVFWFLSA-N 434.500 1.958 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Cc3cccc(C)c3)CC2)cc1 9570097 AIMYKCDXUISKOQ-UHFFFAOYSA-N 431.558 1.814 10 40 IDCB COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O 4766416 WRPJDUXYMHNNMU-UHFFFAOYSA-N 438.484 1.307 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H]1CCS(=O)(=O)C1 33588556 KAAGCYZLXDJIKW-DELQEKLWSA-N 430.960 1.845 10 40 IDCB Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cccc3cccnc23)cc1 575424463 ALCHWTNFFBXYNA-IAGOWNOFSA-N 433.511 1.170 10 40 IDCB Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cccc3cccnc23)cc1 575424465 ALCHWTNFFBXYNA-IRXDYDNUSA-N 433.511 1.170 10 40 IDCB CN1CCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)CC1 225683457 KESOGGZXHNRNPX-UHFFFAOYSA-N 432.571 1.830 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@H]1CCS(=O)(=O)C1 33583214 DDQWSUAHBVFKCZ-IGVUGNCQSA-N 428.532 1.720 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(CCCCCCNC(N)=O)C2=O)cc(OC)c1OC 9164662 COMDRIRIPOCXNX-GXDHUFHOSA-N 448.476 1.403 10 40 IDCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 10113372 WZIFWZRLOCWHRJ-UHFFFAOYSA-N 448.501 1.514 10 40 IDCB COCCCNC(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 6287791 VTXXFOQZMXTOBA-UHFFFAOYSA-N 428.514 1.393 10 40 IDCB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C1=O)OCO2 409195059 RBPLACJMUAJTFQ-AWNIVKPZSA-N 426.406 1.953 10 40 IDCB CCCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010829 NITVPENKHZAVKP-UHFFFAOYSA-N 440.548 1.565 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22809575 DYQXRMRHXJEVNO-JOCHJYFZSA-N 439.560 1.805 10 40 IDCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)s1 104090736 BJKJEBXMYDDGTP-HNENSFHCSA-N 436.479 1.042 10 40 IDCB COc1cc(/C=C2\SC(=S)N(CC(=O)N3CCOCC3)C2=O)cc(OC)c1OC 16901425 ANMIIIQELYSSOS-GDNBJRDFSA-N 438.527 1.772 10 40 IDCB COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3ccccc3)CC2)cc1 8991770 JRSOVHRNEKDQMZ-OAQYLSRUSA-N 436.512 1.375 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)Cn3c(=O)oc4ccccc43)N3CCOCC3)ccc21 38671966 IAXXYZLKOYYRMV-OAQYLSRUSA-N 436.512 1.777 10 40 IDCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)NC[C@@H]1CCCO1 409210509 KPNOBMQWDUQPCO-KMTKGMGQSA-N 431.514 1.855 10 40 IDCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1 8843093 KSYWUBKCZRMKLU-UHFFFAOYSA-N 430.438 1.897 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 10188099 WLYOUGDDISIHJX-UHFFFAOYSA-N 447.513 1.306 10 40 IDCB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)CC1 22666133 JAUYYHHMPMPLHQ-HXUWFJFHSA-N 447.561 1.928 10 40 IDCB Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(C)n1-c1ccccc1F 32754646 BQLGNCJPAUSNEO-UHFFFAOYSA-N 428.508 1.850 10 40 IDCB Cc1ccc(N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)/N=N/c2cccc(S(=O)(=O)O)c2)cc1C 31934171 OOMLWVJCNNEQRU-RHJXPZPGSA-N 439.490 1.130 10 40 IDCB COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)Nc2ccccc2)c1C 40476927 IGPAPLCJIRQCEG-UHFFFAOYSA-N 444.494 1.922 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCN3C)CC1 22734372 HIPTYSCGXPLEAA-JOCHJYFZSA-N 439.535 1.861 10 40 IDCB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)N4CCSCC4)n3)CC2)cc1 71282664 XUBBDNMLUYPDCQ-UHFFFAOYSA-N 429.546 1.154 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(C=C3C(=O)NC(=S)NC3=O)C2=O)cc1OC 1637392 QSNKVZUEYQKRJJ-SDQBBNPISA-N 435.508 1.320 10 40 IDCB COc1ccc(N2CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n3C2)cc1 2260047 VQPNTJSEYBACON-ODLFYWEKSA-N 441.509 1.828 10 40 IDCB CC1(C)O[C@@H]2O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@](C)(O)[C@@H]2O1 8431305 QGQBMTUTSDTWIT-WKHGPKRUSA-N 442.420 1.534 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 33581874 QVUOUYGJZJTQID-KQXKAXQNSA-N 440.568 1.588 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 33589454 HCLCQXGSLSIPDC-GULXKOIASA-N 440.568 1.542 10 40 IDCB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC 216949752 LRHOUOOGEXKSAL-UHFFFAOYSA-N 432.546 1.285 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(N)=O 409217282 AZNXYBLSLVVUIK-OQLLNIDSSA-N 425.397 1.321 10 40 IDCB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCCN3C(=O)CSC3=S)cc2)n1 3508141 RMMDLORCYPMDBS-UHFFFAOYSA-N 432.527 1.622 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3cccs3)CC2)cc1 11796545 KNUFVYUHOHVANU-UHFFFAOYSA-N 437.587 1.958 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13573209 BSJIOURPBHPBHJ-RZBIUYHXSA-N 438.508 1.043 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(N(C)C)cc2)CC1 22594374 RDPHAVDCCHMCHV-OAQYLSRUSA-N 427.524 1.935 10 40 IDCB CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)CC1 9357386 CBCAAAVCMRCKML-RCCKNPSSSA-N 447.495 1.930 10 40 IDCB CCOC(=O)CCc1c(C)c2ccc(O)c(CN[C@]3(C)CCS(=O)(=O)C3)c2oc1=O 9530465 QWOLDCZHDDATKY-OAQYLSRUSA-N 437.514 1.970 10 40 IDCB C[C@@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3cc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O 79669795 PZUBYRYFINTPOQ-AAMXEUIPSA-N 446.408 1.241 10 40 IDCB COc1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccc(OC)cc4)CC3)NC2=O)cc1 13730835 AWGCULQSQQAPNY-FQEVSTJZSA-N 437.500 1.709 10 40 IDCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCOCC1 113939852 RJZAFJDAUOQIAO-UHFFFAOYSA-N 433.530 1.712 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)C(C)C)s3)CC2)cc1 224991782 YSLVZYMZOJJIQO-UHFFFAOYSA-N 425.536 1.652 10 40 IDCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 23134919 CGJAOFCWYGWUPD-UHFFFAOYSA-N 446.467 1.735 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 96193585 WHCAOZFKYBMFCN-UHFFFAOYSA-N 431.426 1.205 10 40 IDCB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 56997783 KGTVNCQRCXFJGN-UHFFFAOYSA-N 426.473 1.301 10 40 IDCB COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 13572108 XEHUGKQSHVSUHK-QRTYOACDSA-N 438.552 1.712 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N[C@@H]1CCS(=O)(=O)C1 13655697 UWQZLVYDGXBXPS-BFTHVDOESA-N 430.960 1.845 10 40 IDCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 19819954 HKWWZBNYBNMQOG-FQEVSTJZSA-N 447.557 1.876 10 40 IDCB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35375235 IIPOPJAOWOLIQU-FOOVVAHZSA-N 435.480 1.859 10 40 IDCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1 96234375 JRFMHVXAOFPHQM-NTCAYCPXSA-N 428.445 1.508 10 40 IDCB COCCN1C(=O)/C(=C/c2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S 2276460 QXYKSJJFUZILCE-KAMYIIQDSA-N 434.543 1.645 10 40 IDCB COc1ccc(N2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)cc1 23652821 PALRCNILAKIEMF-UHFFFAOYSA-N 430.593 1.969 10 40 IDCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NN1CCOCC1 8819623 RLWFLIUEQUXKRC-WJDWOHSUSA-N 435.527 1.760 10 40 IDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 33793216 HATDPTBMWZTBED-ZEVOCZHWSA-N 427.369 1.917 10 40 IDCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998821 AJRHADFTXSQDLN-OAQYLSRUSA-N 426.517 1.889 10 40 IDCB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)Oc2ccccc21 26112574 XWXJJEWBWWIFRY-OAQYLSRUSA-N 445.541 1.961 10 40 IDCB COc1cccc(N2C(=O)NC(=O)/C(=C\N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)C2=O)c1 20567470 LINQDGCAGKLZGE-XYSGSMRZSA-N 448.435 1.929 10 40 IDCB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1 223409659 LSOGBTBVXALHEB-UHFFFAOYSA-N 425.536 1.448 10 40 IDCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(N)=O 409224077 KEUNLSSQNSHEPJ-MHWRWJLKSA-N 439.424 1.624 10 40 IDCB COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)N[C@@H]2C=CS(=O)(=O)C2)C1=O 9575396 BWAMXUZHCREIIZ-KQXKAXQNSA-N 438.552 1.712 10 40 IDCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22998994 OKXHQGGHEALFQS-HXUWFJFHSA-N 441.488 1.789 10 40 IDCB CN1CCN(c2ccc(CNC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 216935828 AFETTYAYSITOLH-UHFFFAOYSA-N 434.537 1.660 10 40 IDCB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2c(O)c3cccnc3[nH]c2=O)c(O)c2ccccc21 100236401 AUYZEDZPYRRXEV-XFXZXTDPSA-N 429.392 1.104 10 40 IDCB CCN1C(=O)/C(=c2/s/c(=C3/N(C)c4ccccc4C3(C)C)c(=O)n2C)SC1=S 4109337 SSIHRWNTNXQSJQ-PUHIZWQHSA-N 431.608 1.971 10 40 IDCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9348449 PTZHZNWJDHENMP-CJAAZZPWSA-N 426.516 1.844 10 40 IDCB O=C1[C@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 16038571 KMSSCWSHVANHII-SQNIBIBYSA-N 431.404 1.996 10 40 IDCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 16237028 UFGSSRGTTQOSNF-UHFFFAOYSA-N 431.558 1.887 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 33544304 LLADJUMTAPCQMG-ACLQVGRQSA-N 428.532 1.672 10 40 IDCB COc1ccc(N2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 12543283 NSGNCIHLORXREG-UHFFFAOYSA-N 429.521 1.349 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCCCn3ccnc3)C2=O)cc1OC 20331121 XXOFQNZIMBVWQP-SSZFMOIBSA-N 427.461 1.085 10 40 IDCB CC(=O)N[C@]1(C2(C)OCCO2)CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O 504753158 QDFKHJVKZRGRBA-XMMPIXPASA-N 437.448 2.000 10 40 IDCB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCN(CCO)CC2)SC1=S 618254471 CBMCAQSTBVILMI-LXMVLSBBSA-N 449.598 1.472 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCCN1CCCC1=O 54361039 HNQHKWCTRKYMPP-YBEGLDIGSA-N 447.538 1.745 10 40 IDCB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408611562 XMHCRFWNONTVLM-INIZCTEOSA-N 433.530 1.719 10 40 IDCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)N1CCOCC1 108101589 FVELBIAHCUGMEJ-JXAWBTAJSA-N 437.452 1.394 10 40 IDCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)O)C2=O)o1 108053208 LFVXKEHGQIEBJC-NVNXTCNLSA-N 443.412 1.689 10 40 IDCB O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCC(=O)N2CCOCC2)SC1=S 13880122 SOPOVZVSMBHHOH-RVDMUPIBSA-N 436.511 1.600 10 40 IDCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCOCC3)ccc21 23857580 JTAXDIOSXBCRMW-HSZRJFAPSA-N 436.556 1.527 10 40 IDCB O=C(C1CC1)N1CC2(C1)OC(=O)N1CCN(Cc3ccc(N4CCOCC4)cc3)C[C@H]12 1549162184 OSCDMIFFTYAGCL-FQEVSTJZSA-N 426.517 1.151 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)CCN3C)CC1 22734363 YYIFLWBKXHTFRY-QFIPXVFZSA-N 439.535 1.861 10 40 IDCB C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccs2)SC1=S 36593546 ICQBAQJFAJYLTN-CHLKDNDDSA-N 430.598 1.983 10 40 IDCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1ccc(S(N)(=O)=O)cc1 100149193 IGDPDNLKTSMNES-LDADJPATSA-N 429.458 1.681 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N\[C@H]2C(=O)N(C(=O)c3cccnc3)N=C2C)cc1 104214173 PGTGJIPJSDRKQW-MODMUFLJSA-N 428.430 1.417 10 40 IDCB COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1 9972644 GUCGBFPPJOURLV-ORGXJRBJSA-N 426.425 1.703 10 40 IDCB O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 16039217 JRRDAKRPILHDMS-KURKYZTESA-N 431.404 1.996 10 40 IDCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 108806671 OAQCXKRJIGDANT-UHFFFAOYSA-N 445.541 1.474 10 40 IDCB O=C(O)C1CCN(C(=O)CN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1 33585165 NTDCPUCLBMEKPQ-NVNXTCNLSA-N 434.495 1.940 10 40 IDCB Cc1cc(F)cc(CN2[C@@H]3CN(Cc4ccc(O)c(O)c4)C[C@@H]3OCCS2(=O)=O)c1 1534645854 LTQYYLGYSCBJBP-NQIIRXRSSA-N 436.505 1.960 10 40 IDCB COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 1325289 LBSPLINHKANYAF-UHFFFAOYSA-N 445.541 1.679 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9348120 FEVGDRNPJFQXOM-NUBYWOLOSA-N 428.944 1.968 10 40 IDCB COc1ccc(N2CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H](C(N)=O)C2)cc1 257214556 CMKWOHYMABELCO-QFIPXVFZSA-N 442.535 1.842 10 40 IDCB C[C@H]1O[C@@H](O[C@@H]2CCc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@H]1O 5437433 WSTWTUQSRFOFDZ-WRGKHTBRSA-N 439.464 1.570 10 40 IDCB COC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)cc1 54361042 DMRPUMLLGCFCRV-PETVBWCUSA-N 438.552 1.267 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@@H]1CCS(=O)(=O)C1 8971154 LLADJUMTAPCQMG-UGMNDJHYSA-N 428.532 1.672 10 40 IDCB CC1(C)O[C@@H]2[C@H](O[C@H]([C@H](O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)[C@@]2(C)O)O1 8431302 QGQBMTUTSDTWIT-XARADAHVSA-N 442.420 1.534 10 40 IDCB COC(=O)[C@H](Cc1ccc(O)cc1)N/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 20589004 NGUWQSSHKAFLPM-FSEPTYSPSA-N 439.424 1.241 10 40 IDCB CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(OC)cc3)C[C@H]2C(=O)O)SC1=S 256055376 DTAGHYJCWXURDH-BUYRESAOSA-N 449.510 1.823 10 40 IDCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N(C)C)ccc21 13008606 AONYYFIDXCNSPJ-HXUWFJFHSA-N 438.528 1.833 10 40 IDCB NC(=O)C[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 8870185 CANMCLSIQKPAJE-CXWDMRCRSA-N 433.511 1.279 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9302778 BSJIOURPBHPBHJ-MQOXYSQQSA-N 438.508 1.043 10 40 IDCB Cc1cc(O)n2ncc(C(=O)NCc3cccc([C@@H]4NC(=O)N[C@H]5OCCC[C@H]54)c3)c2n1 257295411 QYFBHRMXXJVZTQ-XERREHJYSA-N 436.472 1.780 10 40 IDCB CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 9570066 NWUUEANQSCGPHZ-UHFFFAOYSA-N 447.557 1.976 10 40 IDCB COc1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)[C@H](C(N)=O)C2)cc1 257232854 GMSIPXRPVWDACV-IBGZPJMESA-N 440.500 1.471 10 40 IDCB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)c1 8819198 ANXSFLKTWYDLEH-SAPNQHFASA-N 434.587 1.955 10 40 IDCB CCN(C(=O)[C@H](C)N1C(=O)/C(=C\c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 62825017 YMJPRKOKDBOVNU-MFJZSDPFSA-N 428.557 1.905 10 40 IDCB COc1cccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4cccc(C(=O)O)c4)C(=O)[C@@H]32)c1O 20131165 MQAPAQVQATVFKC-VGWMRTNUSA-N 426.381 1.002 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCC2)c2ccc3c(c2)CCCN3C)CC1 22734959 WRSNSXLOEDUPQZ-QFIPXVFZSA-N 427.593 1.533 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998884 DBTOJKSJLIEGLV-HXUWFJFHSA-N 426.517 1.889 10 40 IDCB Nc1ccc(OCCOCC(=O)OCCOC(=O)COCCOc2ccc(N)cc2)cc1 2060993619 QJZVXCPOMCIAQI-UHFFFAOYSA-N 448.472 1.428 10 40 IDCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCOCC3)ccc21 22734928 HVUBENRTOVBRSZ-NRFANRHFSA-N 442.585 1.936 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(N)=O 409225510 PBFONEDRTVRZOV-RIYZIHGNSA-N 440.368 1.134 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)CC2)cc1 38851190 KXMXIVMVCZVLEW-FQEVSTJZSA-N 431.514 1.571 10 40 IDCB Cc1cc(NS(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)nc(C)n1 18054177 WUSZIDCGPNGZMK-GHVJWSGMSA-N 444.477 1.289 10 40 IDCB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 102813738 SEYSSDACUCWQPR-HYRNMYCDSA-N 449.532 1.925 10 40 IDCB NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 409225630 QHPQFUSWCFBGDZ-NTEUORMPSA-N 444.241 1.980 10 40 IDCB Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)cc1C 3067181 TXBKKYGSKPXQPT-UHFFFAOYSA-N 430.511 1.931 10 40 IDCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C2=O)cc1 409219895 RJEOXIKJEABOBQ-MHWRWJLKSA-N 439.424 1.624 10 40 IDCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 409213340 SLYFOPNNHACAMQ-NTUHNPAUSA-N 441.352 1.762 10 40 IDCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NC[C@H]3CCCO3)CC2)cc1 25183925 KLVRGWKGWYCVBJ-MRXNPFEDSA-N 446.533 1.810 10 40 IDCB C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccs2)SC1=S 36593548 ICQBAQJFAJYLTN-LBSFFPRJSA-N 430.598 1.983 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O 409214728 YHPLOBFIUHOKGV-LFYBBSHMSA-N 428.313 1.884 10 40 IDCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)no1 22735005 HMOBQQGNIJACTG-FQEVSTJZSA-N 440.548 1.409 10 40 IDCB O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 104134213 KMSSCWSHVANHII-KURKYZTESA-N 431.404 1.996 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)cc1 39192726 VVSHISOFVVANJV-NRFANRHFSA-N 443.500 1.935 10 40 IDCB Cn1cc(S(=O)(=O)N2CCN(C3=NC(=O)/C(=C/c4ccccc4F)S3)CC2)cn1 36621407 KWALFCIJUNHFCZ-YBEGLDIGSA-N 435.506 1.536 10 40 IDCB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C21C(=O)c2ccccc2C1=O 9014187 KMSSCWSHVANHII-FGTMMUONSA-N 431.404 1.996 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N/[C@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1 104204009 GTFYXSJCBAJBAZ-FVGNFYTDSA-N 428.430 1.417 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 408941577 XDQPIZFSPMQPJC-WUXMJOGZSA-N 428.313 1.884 10 40 IDCB COc1cccc(N2C(=O)NC(=O)/C(=C/N[C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)c1 20572199 RIRYJEUYCFJRRE-ZFOVBUMHSA-N 425.397 1.153 10 40 IDCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCCCN1CCOCC1 20265673 NDDQETMPSBTHLC-NTCAYCPXSA-N 437.294 1.228 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33543094 BSJIOURPBHPBHJ-REPOHMLUSA-N 438.508 1.043 10 40 IDCB COc1ccccc1/C=C1/SC(=S)N(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1=O 33558527 GJQJIBRTWKJEBJ-GULXKOIASA-N 440.568 1.542 10 40 IDCB COc1ccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 34863271 JGPREXDXBZKQGU-UHFFFAOYSA-N 426.473 1.937 10 40 IDCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22809677 RJYUROOHOLSBGY-NRFANRHFSA-N 439.560 1.805 10 40 IDCB O=C(O)COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 2228740 RBMZBSFQWRDTEL-UHFFFAOYSA-N 448.023 1.424 10 40 IDCB CN1C(=O)C(=Cc2cc([N+](=O)[O-])cc(I)c2O)C(=O)N(C)C1=S 408967045 RUSBUSPWVOSONK-UHFFFAOYSA-N 447.210 1.504 10 40 IDCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCN1C(=O)CSC1=O 10232975 WCNQASIAKPBWMK-GHXNOFRVSA-N 439.515 1.839 10 40 IDCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 13572018 SOQGTKOCVANQCO-GRRFOWRYSA-N 440.568 1.542 10 40 IDCB CN1C(=O)C(=CNc2ccc(S(=O)(=O)NCc3ccccc3)cc2)C(=O)N(C)C1=O 408534494 VSWVOPMHVDSDBN-UHFFFAOYSA-N 428.470 1.511 10 40 IDCB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16022010 DCDSSPOKSXBREU-XXPWESIGSA-N 435.480 1.861 10 40 IDCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819888 HMJJHRYYXVBQLQ-LJQANCHMSA-N 433.530 1.833 10 40 IDCB CC(=O)NS(=O)(=O)c1ccc(/N=N/[C@H]2C(=O)N(C(=O)c3cccnc3)N=C2C)cc1 104214177 PGTGJIPJSDRKQW-FVGNFYTDSA-N 428.430 1.417 10 40 IDCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCOCC2)cc1 22998929 OGRVQIKULWNAQG-IBGZPJMESA-N 440.500 1.610 10 40 IDCB O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33590038 KJRNDMHZWDGEQZ-GKWYLQRDSA-N 428.944 1.968 10 40 IDCB COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)c1 33537036 XEHUGKQSHVSUHK-JXIANXGOSA-N 438.552 1.712 10 40 IDCB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4ccc(O)c(O)c4)C3)C2)cc1 604381675 KTKNARDKCHEMLP-LJQANCHMSA-N 439.512 1.518 10 40 IDCB biogenic,in-vitro O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1CCS(=O)(=O)C1 13655197 DDQWSUAHBVFKCZ-OJLMPMFISA-N 428.532 1.720 10 40 IDCB COc1ccc(N2CCN(C3=N[C@@H](CC(=O)Nc4ccc(C(C)=O)cc4)C(=O)N3)CC2)cc1 13719081 VGBMNTZKMLTKHE-NRFANRHFSA-N 449.511 1.903 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc(N(C)C)cc2)CC1 22809528 IFUTVFNHMCOTHL-QHCPKHFHSA-N 437.588 1.516 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc(N(C)C)cc2)CC1 22809537 IFUTVFNHMCOTHL-HSZRJFAPSA-N 437.588 1.516 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(OC)c3)CC2)cc1 1325643 DRZZNWQKPZULHM-UHFFFAOYSA-N 430.490 1.190 10 40 IDCB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC 216949870 MQZVXTBNBCFISY-UHFFFAOYSA-N 446.573 1.675 10 40 IDCB CCOC(=O)COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 656202 KHFKICDLIMCWRU-UHFFFAOYSA-N 426.878 1.889 10 40 IDCB CN(C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1 9429760 YWZZWARHGLCSLT-GJSJWPQCSA-N 430.598 1.985 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(N(C)C)cc2)CC1 22594393 QQINUSPFSARIOS-OAQYLSRUSA-N 427.524 1.935 10 40 IDCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(N)=O 108026537 MUXRCLKNJBYELA-ZSOIEALJSA-N 446.257 1.783 10 40 IDCB CN(C)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)cc1 8997686 FPYAZLLPGMQTQW-XGXACIPPSA-N 426.502 1.621 10 40 IDCB CS(=O)(=O)N1CCN(Cc2c(O)c(C(=O)N3CCOCC3)cc3ccccc23)CC1 28787407 HPKXISFOGCREMY-UHFFFAOYSA-N 433.530 1.095 10 40 IDCB CCOC(=O)c1cnn2c(O)cc(CN3CCC(C)(CN4CCN(C)CC4)CC3)nc12 96014161 OEKKFXIRILAERN-UHFFFAOYSA-N 430.553 1.461 10 40 IDCB Cc1[nH]cnc1CSCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 40267019 UFIFXAWZOPZFSL-UHFFFAOYSA-N 437.547 1.246 10 40 IDCB Cc1cc(O)nc(Sc2oc(C=C3C(=O)NC(=O)NC3=O)cc2Br)n1 409107149 QLVVORZJRKSOFP-UHFFFAOYSA-N 425.220 1.747 10 40 IDCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735819 YKODXOSAHKZVFP-QHCPKHFHSA-N 444.601 1.955 10 40 IDCB COCc1cc(=O)n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(N2CCCC2)n1 67257005 MLOUXFSPCZJYAQ-UHFFFAOYSA-N 441.532 1.347 10 40 IDCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 33585602 VMYKOHAOPOXCEN-QQFZQELXSA-N 440.568 1.590 10 40 IDCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(N)=O 33634679 PDBKEKZLCZJWTF-QPEQYQDCSA-N 446.257 1.783 10 40 IDCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C21C(=O)c2ccccc2C1=O 103560489 JRRDAKRPILHDMS-FGTMMUONSA-N 431.404 1.996 10 40 IDCB CCOC(=O)CSCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 4196121 QFHWUXKSOCBVBH-UHFFFAOYSA-N 436.486 1.804 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)NC2CCCCC2)c2ccc3c(c2)CCN3C)CC1 22734258 AHFHXCWYMUOAMU-QFIPXVFZSA-N 427.593 1.533 10 40 IDCB O=C(CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33544869 XUTCIECHSMFPIZ-FYQHACEVSA-N 426.516 1.844 10 40 IDCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OC 658894 OXXPQHUHVYGSFG-XBXARRHUSA-N 432.239 1.565 10 40 IDCB COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 32765668 AVWMVDDCEJENOW-LJQANCHMSA-N 440.544 1.965 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 54360681 QVUOUYGJZJTQID-QRTYOACDSA-N 440.568 1.588 10 40 IDCB C[C@@H]1O[C@@H](O[C@@H]2CCc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C[C@@H](N)[C@@H]1O 5437437 WSTWTUQSRFOFDZ-YRNGKBQVSA-N 439.464 1.570 10 40 IDCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)c1 13590374 XNSIIYSJSIPWAS-ATVHPVEESA-N 428.470 1.824 10 40 IDCB Cc1ccc(NC(=S)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C 9708813 PCHBROJQBHGOHF-UHFFFAOYSA-N 444.565 1.475 10 40 IDCB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)CCN3C)CC1 22734369 HIPTYSCGXPLEAA-QFIPXVFZSA-N 439.535 1.861 10 40 IDCB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20548580 DCDSSPOKSXBREU-MDTICMOCSA-N 435.480 1.861 10 40 IDCB COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 33581878 QVUOUYGJZJTQID-HODWKROWSA-N 440.568 1.588 10 40 IDCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1OC 54361050 WVZJUVIFVRIULY-OYPJRYJSSA-N 440.568 1.498 10 40 IDCB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 408611564 XMHCRFWNONTVLM-MRXNPFEDSA-N 433.530 1.719 10 40 IDCB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)Oc2ccccc21 113946186 SYZHIQXGBCVVKD-OAQYLSRUSA-N 445.541 1.757 10 40 IDCB CN(c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O 225386210 DKSQEGBGQUNALD-UHFFFAOYSA-N 433.530 1.614 10 40 IDCB CC(=O)N[C@@]1(C2(C)OCCO2)CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O 504753156 QDFKHJVKZRGRBA-DEOSSOPVSA-N 437.448 2.000 10 40 IDCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)c(OC)c1 108076724 ORQXHLICYLFUII-CXUHLZMHSA-N 448.435 1.810 10 40 IDCB CN1CCN(c2ccc(CNC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 260800815 YIKHKTQZFXOPJL-NRFANRHFSA-N 430.574 1.687 10 40 IDCB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1 8824466 OAAULEIXIIZZKI-CQSZACIVSA-N 437.543 1.737 10 40 IDCB O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19079270 XTLICZXIMMKLSI-UHFFFAOYSA-N 433.515 1.763 10 40 IDCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCCN3CCCCC3)C2=O)cc1OC 20326709 GWVSPKSDOKBWLY-ICFOKQHNSA-N 430.505 1.284 10 40 IDCB COc1ccc(N(CCC(N)=O)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 14703204 GQLWFTKLNAPODA-GOSISDBHSA-N 437.562 1.335 10 40 IDCB CN(C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S)[C@H]1CCS(=O)(=O)C1 8971156 LLADJUMTAPCQMG-QENILXLESA-N 428.532 1.672 10 40 IDCB COc1ccc(N2CCN(C(=O)CNc3ccc(S(=O)(=O)CCO)cc3)CC2)cc1 95960392 NYLLXDNXCXEMEX-UHFFFAOYSA-N 433.530 1.222 10 40 IDCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)CC2)cc1 96394826 HUHBXLZHQIFVDS-SFHVURJKSA-N 448.531 1.631 10 40 IDCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 9570076 LOOSIXFYIWIFEV-UHFFFAOYSA-N 448.501 1.485 10 40 IDCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4O)N[C@@](C)(C(=O)O)[C@@H]3C2=O)cc1 8868206 IQLBKTPOZKBPBU-VDNWNZSNSA-N 426.425 1.703 10 40 IDCB COc1ccccc1NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1 3067172 OGKGDHPXRWZZRK-UHFFFAOYSA-N 432.483 1.323 10 40 IDCB COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19079602 YSUZZFBJFJABNK-LLVKDONJSA-N 442.544 1.805 10 40 IDCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 13899208 JCBDXPZTTDQDGK-DHDCSXOGSA-N 426.381 1.407 10 40 IDCB C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)/C(=C\c2cccs2)SC1=S 33583384 ICQBAQJFAJYLTN-BOSVEMQVSA-N 430.598 1.983 10 40 IDCB COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 15228767 IMKGROSBBUUTCC-UHFFFAOYSA-N 425.485 1.625 10 40 IDCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 408889838 JRUYXQHZUPWIIZ-UHFFFAOYSA-N 432.479 1.686 10 40 IDCB CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(N(C)C)cc2)CC1 22594281 SHHKLHDIWGJALL-JOCHJYFZSA-N 429.609 1.996 10 40 IDCB COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(NC(C)=O)c3)[C@H](C(N)=O)C2)cc1 257245232 IOQDMKQFDIFPGW-NRFANRHFSA-N 439.516 1.577 10 40 IDCB CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@H]1CCS(=O)(=O)C1 9302702 YMJPRKOKDBOVNU-KMEGAEJISA-N 428.557 1.905 10 40 IDCB CC/C(NN1CCN(C)CC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 19894242 JFQJOQFFDIPAEY-XMHGGMMESA-N 442.545 1.978 10 40 IDCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 103920065 XUKTZZFQOZICIW-UYRXBGFRSA-N 428.470 1.986 10 40 IDCB