smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1ccc(Cl)cc1 199283759 YIZLGAFZHLKZIM-UHFFFAOYSA-N 415.858 2.272 10 40 HECB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OC)OCO4)C2=O)c1 409099719 SYOWBDLLLMWVIS-CHHVJCJISA-N 410.382 2.489 10 40 HECB COc1ccc(N2CCN(CCC(=O)Nc3ccc(Cn4cncn4)cc3)CC2)cc1 72406017 KWBXUDSUOJPEGT-UHFFFAOYSA-N 420.517 2.486 10 40 HECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O 409231806 MHTYQENJNXXBGJ-UKTHLTGXSA-N 412.398 2.475 10 40 HECB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 30503990 YSWCFQOIOUDTHX-UHFFFAOYSA-N 423.560 2.042 10 40 HECB CCN(CCC(=O)N1CCC[C@H]1c1ncc(C(N)=O)c(C)n1)c1ccc(OC)cc1 19756034 UISUBHZHWNTNSN-IBGZPJMESA-N 411.506 2.473 10 40 HECB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 34926540 UVHLJJKVTZROBH-UHFFFAOYSA-N 401.438 2.074 10 40 HECB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409394340 ZBRQQIHTYQIORW-GZTJUZNOSA-N 418.409 2.266 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCC(=O)OC 4992980 CAEYDMPENZOPIO-XNTDXEJSSA-N 416.430 2.042 10 40 HECB COc1ccc(N2CCN(CCC(=O)Nc3ccc4c(c3)OCC(=O)N4C)CC2)cc1 71297208 KBMHRXOEWFBCKF-UHFFFAOYSA-N 424.501 2.201 10 40 HECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1 72406439 OLDJGVSCUFBVFS-UHFFFAOYSA-N 418.523 2.140 10 40 HECB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCOCC1 409214696 ZZGIDCJSLZKMKR-LFIBNONCSA-N 422.528 2.154 10 40 HECB O=C1N[C@H](c2ccc(O)c(O)c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 6222068 NJGREJILWMBXGP-LALPHHSUSA-N 402.350 2.263 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 12662423 HETXIURXTGWMII-GDLUXTLDSA-N 421.457 2.289 10 40 HECB biogenic CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 13647445 LCMGTWKVUFCLHH-OJLMPMFISA-N 418.544 2.407 10 40 HECB COC(=O)C1=CN(C2CC2)c2cc(N3CCN(C(C)C)CC3)c(F)cc2S1(=O)=O 33140734 CISYBHKBSZDMSG-UHFFFAOYSA-N 423.510 2.127 10 40 HECB COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 6814329 TVSADECZMTXLQV-QGZVFWFLSA-N 417.531 2.019 10 40 HECB CCN(/C=C1\SC(=S)N(CCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 9530659 FDCORMZQIOYQFF-JORMNFRLSA-N 410.586 2.440 10 40 HECB CC(=O)O[C@@H]1CC[C@]2(C)c3c(O)c(O)c([C@@H](C)CO)c(O)c3C(=O)C(=O)[C@H]2C1(C)C 68601839 WZANACUCNABDFY-XCEACYCFSA-N 420.458 2.290 10 40 HECB biogenic CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 8189222 VGCFNMZXBPSFJT-UHFFFAOYSA-N 422.529 2.486 10 40 HECB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3)N3CCOCC3)ccc21 22735646 NUFNKPGBVNJHRQ-OAQYLSRUSA-N 401.532 2.031 10 40 HECB COCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S 98086701 RYYPQHTZIAUPMU-GXDHUFHOSA-N 401.400 2.128 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(S)nc3O)cc2)n1 17021100 HTCNLWVMTHWXMF-QURGRASLSA-N 418.464 2.368 10 40 HECB COc1ccccc1N1C(=O)/C(=C/NCCN(C)C)C(=O)N(c2ccccc2)C1=S 20390191 ZKFRVRAYFIKNRD-BMRADRMJSA-N 424.526 2.395 10 40 HECB COc1ccc(N2CCN(C(=O)[C@@H]3Sc4nc(SC)ncc4C3=O)CC2)cc1 103118563 FUWONJQZGDZCQV-MRXNPFEDSA-N 416.528 2.213 10 40 HECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 103916485 WYLGWFNADYNDOD-PDGQHHTCSA-N 402.451 2.259 10 40 HECB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 409188237 BXUQMWLUUWBJFD-RVDMUPIBSA-N 411.439 2.409 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3C)CC2)cc1 3555726 DCNTZZDJDUGANJ-UHFFFAOYSA-N 424.526 2.383 10 40 HECB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(CC)CC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898499 UAFFFCIMZKMJNH-VBQJREDUSA-N 403.401 2.317 10 40 HECB Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ncnc4nc[nH]c34)sc2n1 23077159 ZVQDXOXSSOZIPS-SECBINFHSA-N 411.447 2.346 10 40 HECB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1 112287047 STAOVSXTTPZBPK-BOPFTXTBSA-N 415.431 2.351 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccccc3N(C)S(C)(=O)=O)CC2)cc1 682161 JGBLXEPEWSZDGI-UHFFFAOYSA-N 403.504 2.053 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2n1 8693978 GRINEXKZPRZCRW-UHFFFAOYSA-N 417.455 2.022 10 40 HECB COc1ccc2c(/C=C3\SC(=S)N(N4CCOCC4)C3=O)c(C(=O)O)[nH]c2c1 256055540 KFTPNRIXYYYLCD-ZROIWOOFSA-N 419.484 2.323 10 40 HECB COc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)N=C2O)cc1 8742374 XXKOFOLFHZAQIB-ZSAINHDTSA-N 410.382 2.418 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22594349 BXTNWJWKSTVBBB-JOCHJYFZSA-N 423.561 2.104 10 40 HECB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccc(S(N)(=O)=O)cc2)N=C1C 96193279 HSACVMCDBIPKBS-YBEGLDIGSA-N 416.415 2.057 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)N2CCOCC2)cc1 22664900 QJNVJTYZUWBZDH-HXUWFJFHSA-N 401.482 2.460 10 40 HECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408878891 DHWNEASULFYKTP-UHFFFAOYSA-N 413.411 2.097 10 40 HECB CCOC(=O)[C@H]1[C@@H](c2ccc(N(CC)CC)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 4140110 YRRUSJWDSVYMCO-CPUCHLNUSA-N 419.469 2.482 10 40 HECB COc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 4273344 LREYTABRAGOUNR-KRWDZBQOSA-N 424.501 2.341 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 32772596 AZIMHYSZUDHDHE-UHFFFAOYSA-N 407.470 2.449 10 40 HECB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1O 21865903 QQXLLEOFNCKCDF-MRXNPFEDSA-N 401.488 2.472 10 40 HECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 409390222 DQOIIAYRWCOILF-SFQUDFHCSA-N 402.366 2.237 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NN1C(=O)CSC1=S 1909901 VANAOTAONQZQLK-FLIBITNWSA-N 423.566 2.169 10 40 HECB COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1O 7428375 WFIALUVMBUGXDP-QGZVFWFLSA-N 403.460 2.470 10 40 HECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 9136873 XVZFUTVJBBDYEJ-SDQBBNPISA-N 417.374 2.279 10 40 HECB COC(=O)COc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1 408785858 IQWVOODDVVCPCD-PBXDPIQXSA-N 415.442 2.090 10 40 HECB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)c1 5375988 PYLVGYPBBVYCFL-DTQAZKPQSA-N 421.544 2.040 10 40 HECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC(=O)NCCc3ccccc3)C2=O)c1 408528194 FNTMQCHZWFZUIJ-GHRIWEEISA-N 406.442 2.312 10 40 HECB COc1ccc(-c2nnc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n23)cc1OC 2397578 KEVFPSMUIOLVOU-WQRHYEAKSA-N 408.483 2.449 10 40 HECB COc1cccc(-n2c(C)cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2C)c1 29825426 NDPQPBDVQVOYHI-UHFFFAOYSA-N 405.520 2.257 10 40 HECB CC1CCN(c2ccc([C@H](C)NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)CC1 19716138 UWORTCOKOLYOQD-INIZCTEOSA-N 408.506 2.244 10 40 HECB COc1cccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22664935 ODSQTOZKQCGMKT-QFIPXVFZSA-N 413.518 2.330 10 40 HECB CC[C@@H](C)N1C(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N=C1S 102537647 BIPCSNFJNAODGX-QJMZJAKPSA-N 413.503 2.233 10 40 HECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)cc1 408802061 CMZBTLVFQKHMBZ-MHWRWJLKSA-N 410.382 2.157 10 40 HECB C[C@H](C(=O)NCCc1cnc[nH]1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 13569493 YYAKONUNISDLTD-OXFWXOROSA-N 404.492 2.497 10 40 HECB COc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)/C=C/C(=O)O)c1O 80316181 JDRDENFPAMJYQC-KIUWMYQTSA-N 410.382 2.448 10 40 HECB CN1CCN(c2ccc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1 219235037 FLQLMCQHYKFXEH-UHFFFAOYSA-N 406.530 2.491 10 40 HECB C[C@H]1CN(C(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)C[C@H](C)O1 4820233 LKWIPAQIHURULV-KBPBESRZSA-N 408.454 2.116 10 40 HECB CN1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2ccc(N(C)C)cc2)CC1 22589496 XWHKEAMQBVAEMV-SFHVURJKSA-N 408.593 2.081 10 40 HECB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C 34690219 LSCXZJBNQZPKIM-ATVHPVEESA-N 410.426 2.487 10 40 HECB O=C(O)CCCN1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 51330781 JJUZUCBTVIRKRI-NSIKDUERSA-N 418.452 2.323 10 40 HECB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 13791295 XNHIMRBOSNEYPP-CYBMUJFWSA-N 412.467 2.072 10 40 HECB Cc1ccccc1-n1c(C)cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 48363731 PCQRAZVIOMHIJR-UHFFFAOYSA-N 405.458 2.033 10 40 HECB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 4676325 NZQQYYJOXFUXIZ-CXUHLZMHSA-N 407.382 2.069 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733910 GDZZJBWMNBFPFZ-QFIPXVFZSA-N 422.529 2.116 10 40 HECB COc1cc(/C=C2/C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)cc(Br)c1O 14943524 GLBGMNDNSUIZIK-VZUCSPMQSA-N 419.235 2.361 10 40 HECB COc1ccc2c3c(n(Cc4ncn(C)n4)c(=O)c2c1OC)-c1ccccc1C3=O 604404926 JHSUDFSFMNODSE-UHFFFAOYSA-N 402.410 2.407 10 40 HECB biogenic COc1cccc(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)c1 6660572 WRQNJMUHZDIWQA-WJDWOHSUSA-N 416.528 2.299 10 40 HECB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 115715461 KNGMTOCNLJDIGJ-UHFFFAOYSA-N 424.906 2.442 10 40 HECB C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 15276743 CXSBRJVTNIVWIT-ROYATCLZSA-N 400.818 2.339 10 40 HECB CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 45129421 YPYPVTMCNRSTDX-UHFFFAOYSA-N 401.511 2.149 10 40 HECB CCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O 4475626 KNRCRDPDQILFHF-UHFFFAOYSA-N 416.522 2.235 10 40 HECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 4999329 SISBNBWKNWGELX-XNTDXEJSSA-N 416.430 2.042 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC(C)=O 666825 KOOQIPBFHFABIZ-BOPFTXTBSA-N 424.409 2.259 10 40 HECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 408809920 LGYJLYKTKFHPNP-XNTDXEJSSA-N 410.382 2.157 10 40 HECB COc1ccc(N2CCN(C[C@@H](O)COCc3cc(OC)ccc3OC)CC2)cc1 12420275 QKVUQTCDYXCIKL-HXUWFJFHSA-N 416.518 2.412 10 40 HECB Oc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 12483452 LWPDHSDVCAQSQH-UUFXTFJOSA-N 424.541 2.290 10 40 HECB biogenic,in-vitro CCOC(=O)c1cnn2c(O)cc(CN3CCCN(C(=O)OC(C)(C)C)CC3)nc12 78623960 UVWXZRQOYYTGAM-UHFFFAOYSA-N 419.482 2.054 10 40 HECB COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733193 SGBBZJBXCMNDCE-QHCPKHFHSA-N 409.530 2.420 10 40 HECB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)ccc21 1127441 OFRDTWLISOKDAY-RIYZIHGNSA-N 416.359 2.357 10 40 HECB COc1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 1328928 GRIDRVHZMWYNOF-UHFFFAOYSA-N 417.531 2.043 10 40 HECB CCCCN1C(=O)/C(=C/c2c(NCCCO)nc3ccccn3c2=O)SC1=S 1835507 CYJRZGCTNFYLJF-OWBHPGMISA-N 418.544 2.490 10 40 HECB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C)cc1 4057884 MRNPVKQNNIYESN-GOSISDBHSA-N 418.515 2.205 10 40 HECB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccccn4)CC3)c2oc1=O 95475891 ONWFBUDGDYFYJX-UHFFFAOYSA-N 423.469 2.240 10 40 HECB Nc1nn2c(C(F)(F)F)cc(=O)[nH]c2c1/N=N/c1ccc(S(=O)(=O)O)cc1 4262749 NJOZVWPZZXQPIF-FMQUCBEESA-N 402.314 2.286 10 40 HECB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCCN1CCCC1=O 9476848 VRJMZMJKSCDAOH-NTCAYCPXSA-N 403.529 2.017 10 40 HECB COc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(OC)c1 13618748 MWMWQXCJMCUJEV-NUBYWOLOSA-N 411.457 2.223 10 40 HECB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C(=N)N21 4905485 YLPVLAFPNNCYRJ-KXXGJRMMSA-N 405.505 2.152 10 40 HECB COc1ccc(-c2nnc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n23)cc1OC 2397577 KEVFPSMUIOLVOU-WOJGMQOQSA-N 408.483 2.449 10 40 HECB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Br)o3)C(=O)N=C2S1 41083918 ZAOWYEUMNKZVSL-PVTCFZCGSA-N 417.266 2.053 10 40 HECB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 409224658 LQAHNFQDPFQQPU-OVCLIPMQSA-N 413.817 2.179 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1CCCC[C@H]1c1ccccn1 4794692 PJIFQFJWJAMFNT-FCUDFIOSSA-N 405.458 2.276 10 40 HECB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4513393 HIBGLMITCFZCTA-VKAVYKQESA-N 407.426 2.198 10 40 HECB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCCn1ccnc1 5208543 VZDARDNTWFJXEC-GDNBJRDFSA-N 404.492 2.430 10 40 HECB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 13647442 LCMGTWKVUFCLHH-CJAAZZPWSA-N 418.544 2.407 10 40 HECB O=C(O)C1CCN(C(=O)CN2C(=O)/C(=C/c3cccc(F)c3)SC2=S)CC1 33545797 ZDZRZHNPLNGAKN-ZROIWOOFSA-N 408.476 2.350 10 40 HECB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 408901006 ZEGUMHFNKKNHDI-UHFFFAOYSA-N 420.830 2.166 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1O 409236185 RVFKAADIAIBFBL-VZUCSPMQSA-N 418.203 2.225 10 40 HECB NC(=O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409328602 YLUDZFZDVNZQPQ-MDWZMJQESA-N 419.509 2.158 10 40 HECB Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 19661727 ABDVGSBPOLEXGH-KRWDZBQOSA-N 406.490 2.363 10 40 HECB O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 51263547 ZCDTXDKQSCMKHC-UHFFFAOYSA-N 405.461 2.110 10 40 HECB COc1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 10113559 VCSBUDOPMPKTKN-UHFFFAOYSA-N 417.531 2.378 10 40 HECB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCCN1CCOCC1 20227407 QUGJTSVOMALILL-JQIJEIRASA-N 423.560 2.100 10 40 HECB CCOC(=O)[C@@H]1[C@H](c2c(O)ccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 57531340 DJMMCNRANUGDIQ-GRDNDAEWSA-N 414.405 2.494 10 40 HECB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1C[C@H]1CCCO1 217526494 JKMBXYXFPVOBRR-JSRVMZMBSA-N 417.556 2.148 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCC(=O)O)C2=O)cc1 5374961 XTOVCNPYFMEBDM-SDNWHVSQSA-N 408.501 2.268 10 40 HECB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 224103622 MSLAVBRPCTWOCO-UHFFFAOYSA-N 418.563 2.462 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H]1CSC[C@H]1O 54361073 UKDRKUOLPPMLPU-OFGWCQOXSA-N 408.570 2.261 10 40 HECB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1Cl 409265606 UBTDSDRNJQTICV-UHFFFAOYSA-N 413.817 2.415 10 40 HECB Cc1nnc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)o1 408632042 FVTCTIZOPHSDQI-XNTDXEJSSA-N 405.436 2.256 10 40 HECB COc1ccc(N2CCN(C(=O)c3snc(C(=O)NCC(C)C)c3N)CC2)cc1 67334991 NERBRMIKLSIVFF-UHFFFAOYSA-N 417.535 2.082 10 40 HECB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)cc1 107857144 JZCKZSAMYCQMAX-LICLKQGHSA-N 418.478 2.266 10 40 HECB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408881859 MKDUBLMKXZXLAQ-UNOMPAQXSA-N 406.438 2.424 10 40 HECB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 409188817 ASDFQMSRZKJKEO-OQLLNIDSSA-N 412.423 2.233 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)CC2)cc1 222472718 FCFLIQBVZKFSPQ-UHFFFAOYSA-N 417.531 2.362 10 40 HECB COc1ccc(N2CCN(C(=O)CN(c3ccccc3C)S(C)(=O)=O)CC2)cc1 916444 BFWVKYDRDRDBTA-UHFFFAOYSA-N 417.531 2.118 10 40 HECB COC(=O)COc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 6380884 WTAPOWGLYUTLCC-OQLLNIDSSA-N 416.817 2.362 10 40 HECB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@@H]1O 9547364 HMBHGKUAAXGDIM-CWBWUIAVSA-N 414.961 2.134 10 40 HECB O=S1(=O)CCN(c2cccc(NS(=O)(=O)c3cccc(F)c3F)c2)CC1 72312975 RQSIGMCJCXDXJI-UHFFFAOYSA-N 402.444 2.000 10 40 HECB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(N(C)C)cc2)NC(=O)N3)cc1 35590277 OCOBHMMFTWTQDW-NRFANRHFSA-N 406.486 2.454 10 40 HECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NCc1nc(-c2ccccc2)no1 20623543 RIBZUAIBOHEVBI-GHRIWEEISA-N 417.425 2.031 10 40 HECB O=C(O)CN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC1=S 2829807 ZSLODXAMGFKFPD-WAPJZHGLSA-N 419.234 2.349 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 5367445 FKUBLBIDQIXAGY-UHFFFAOYSA-N 411.458 2.159 10 40 HECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)cc3)C(=N)N21 20205779 UVWOGJIAFHUDFE-KUHKOJGPSA-N 413.278 2.070 10 40 HECB NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 4827338 HTYADBLKMQKAFG-XNTDXEJSSA-N 413.480 2.097 10 40 HECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008526 KUDVPYKPYBVWAZ-OAQYLSRUSA-N 410.518 2.435 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59514591 PEXKWTANIXCTBH-UHFFFAOYSA-N 414.355 2.210 10 40 HECB CCN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(C)(=O)=O 113945365 LVUOTPPTKCIZRW-UHFFFAOYSA-N 417.531 2.239 10 40 HECB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc(F)cc1 84080276 NHKQDZRPDYWSOD-UHFFFAOYSA-N 412.509 2.312 10 40 HECB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 4704825 CQJALDCXZLANAS-XSFVSMFZSA-N 420.469 2.363 10 40 HECB CN(C)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 33752413 MISVXVILXDABTB-WOJGMQOQSA-N 424.913 2.369 10 40 HECB CC[C@H](C)N(C(=O)COC(=O)c1ccccc1/N=N/N(C)C)[C@@H]1CCS(=O)(=O)C1 6052081 CAQKIAUPCAWNSQ-LHMWHATQSA-N 424.523 2.218 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nnc2n1 12922284 LTEWLFYGOIYWTB-UHFFFAOYSA-N 414.495 2.316 10 40 HECB CC(C)[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 4313126 WNJRJDCMWAWMBB-FGTMMUONSA-N 406.413 2.377 10 40 HECB Cc1c([C@H]2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cnn1C 227173470 AJXNYOMFLRPVLR-HXUWFJFHSA-N 411.487 2.437 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 4173466 GGQCMOHQXLXJQW-UXHICEINSA-N 406.504 2.148 10 40 HECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O 104204074 PPLIHMCGXWXRRN-HNHDZATFSA-N 417.429 2.390 10 40 HECB COc1ccc(N2CN=c3s/c(=C\C=C\c4ccccc4)c(=O)n3C2)cc1OC 2361100 VKPTYQMFIKFXEJ-CRVGVPJFSA-N 407.495 2.476 10 40 HECB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2c1 20206046 DOFSVLZNUPMRNO-UZIRPGAUSA-N 401.473 2.406 10 40 HECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408965637 LBOCQZGONUUGAI-WUXMJOGZSA-N 416.277 2.014 10 40 HECB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 9424127 VNNMRKVZCCDWCM-LCJGLDDCSA-N 422.470 2.036 10 40 HECB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998871 IYEQLZJMMLEINF-QFIPXVFZSA-N 424.545 2.443 10 40 HECB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1 408910444 KIAHUVTWLUIYKH-CXUHLZMHSA-N 411.483 2.446 10 40 HECB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O 409201812 ODLYHSHJFQQORD-LGMDPLHJSA-N 403.504 2.476 10 40 HECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccccc1Cl 3032198 HVZQBJYWUOJGQQ-UHFFFAOYSA-N 416.842 2.482 10 40 HECB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 4723776 NLFWFQLOWDPAKC-RVDMUPIBSA-N 401.419 2.087 10 40 HECB COCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 6627073 CCDRUCGAUZCJEB-OWBHPGMISA-N 416.528 2.142 10 40 HECB CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 12563081 VCSKXKGQSNATHE-UHFFFAOYSA-N 420.491 2.294 10 40 HECB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3F)N3CCOCC3)ccc21 22735638 AMJLWXJVHPRNSI-FQEVSTJZSA-N 419.522 2.170 10 40 HECB CCOC(=O)[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 6206510 CFTUPTXGMPWTDG-DLRWLJPMSA-N 410.426 2.487 10 40 HECB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 225087356 NFLNJRBEOUPKDX-UHFFFAOYSA-N 413.499 2.419 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(OC)cc(OC)c3)CC2)cc1 5402196 AQQWWGMSOQOBIH-UHFFFAOYSA-N 414.458 2.218 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCC3)ccc21 8964144 GXUZSSXCGNFSGO-QHCPKHFHSA-N 420.557 2.291 10 40 HECB O=C1c2ccccc2C(=O)c2c1cccc2N1C(=S)S[C@@H]2CS(=O)(=O)C[C@@H]21 12139584 WIXFDMHBYIZRIP-LSDHHAIUSA-N 415.517 2.466 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1O 409191812 NWEMYWCHNRBKLI-NTEUORMPSA-N 412.423 2.320 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22998901 SKNXDIYSOZRHBO-JOCHJYFZSA-N 424.545 2.498 10 40 HECB COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)O 33454246 SQCCJHCRBXNRPT-ZSOIEALJSA-N 402.790 2.273 10 40 HECB CN(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4164027 NLZVLHRYJVBLMD-LJQANCHMSA-N 417.487 2.490 10 40 HECB CC[C@@H](C)N(C(=O)COC(=O)c1ccccc1/N=N/N(C)C)[C@@H]1CCS(=O)(=O)C1 6052080 CAQKIAUPCAWNSQ-KNWBJPGPSA-N 424.523 2.218 10 40 HECB Cn1c(=O)c(C2=NNC(=O)/C2=C2\C(=O)Nc3cc(Cl)ccc32)c(O)c2ccccc21 100260833 PFBQEBZQTQDTMJ-PFONDFGASA-N 420.812 2.137 10 40 HECB COc1ccc(N2C(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc1 102448279 IYZPKBQRMXZDPH-BOPFTXTBSA-N 410.455 2.397 10 40 HECB COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 1905292 RLGUNQAPPAWUQG-RAXLEYEMSA-N 404.517 2.362 10 40 HECB COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccco3)CC2)c([N+](=O)[O-])c1 17090595 NPBAOOZFHLVGCU-FNORWQNLSA-N 416.459 2.433 10 40 HECB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 9323191 NLFWFQLOWDPAKC-PTNGSMBKSA-N 401.419 2.087 10 40 HECB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(O)n3ncc(C(=O)OCC)c3n2)C1 51050671 CSEALJNRSUVJJK-HUUCEWRRSA-N 417.510 2.128 10 40 HECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408954593 RWDROBGGBANLJW-RIYZIHGNSA-N 410.382 2.489 10 40 HECB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)s1 22666064 UTMWTJYNJCIISJ-GOSISDBHSA-N 409.577 2.474 10 40 HECB COc1ccc(N2CCN(C[C@@H](O)COCCOc3cccc(OC)c3)CC2)cc1 23224705 YIGSQKAADPCYMC-HXUWFJFHSA-N 416.518 2.282 10 40 HECB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408549230 RDZYZCWXOGPBNI-VGOFMYFVSA-N 410.382 2.407 10 40 HECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCO)c4ccccc34)[C@H]21 1565524952 STAJBHHHQQYVCU-QHCPKHFHSA-N 418.497 2.287 10 40 HECB Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3397179 DVAGINGMELSMOE-UHFFFAOYSA-N 405.357 2.299 10 40 HECB C[C@@H]1CN(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C[C@@H](C)O1 4947723 CKUDMWQPQSTMIO-ZIAGYGMSSA-N 407.422 2.255 10 40 HECB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 7504816 BDGVMLBVEHZTNK-UHFFFAOYSA-N 417.531 2.444 10 40 HECB Cc1cc(N2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)nc(C(C)C)n1 12819336 VBTVYCMFMVNWKO-UHFFFAOYSA-N 410.566 2.413 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC(C)C)CC2)cc1 38487568 YEDRWPPHNXYWLB-UHFFFAOYSA-N 423.560 2.406 10 40 HECB Cn1c(=O)n(Cc2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)c2ccccc21 19289898 PKSRSMHERIZSSQ-UHFFFAOYSA-N 414.425 2.389 10 40 HECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=N)N21 20205755 BDHBMLUNGRNRCD-UYEBYYQHSA-N 419.271 2.320 10 40 HECB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(O)nc(O)nc1O 409040951 VGPMIMDCTZOJAK-RQOWECAXSA-N 402.235 2.095 10 40 HECB CN1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20121109 PYUIQSQUPMGDLC-JOCHJYFZSA-N 405.550 2.319 10 40 HECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409046400 KLMDCTDIBAMPAZ-OVCLIPMQSA-N 400.774 2.470 10 40 HECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409143599 CWSPKRMCJVOOCI-SDNWHVSQSA-N 413.380 2.468 10 40 HECB CC1CCN(c2ccc([C@@H](C)NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2)CC1 19716137 UWORTCOKOLYOQD-MRXNPFEDSA-N 408.506 2.244 10 40 HECB CN(C)c1ccc(/C=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 95959922 IIGUMGDTJUZFJM-AUUUKSDWSA-N 406.467 2.277 10 40 HECB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408849227 VTWYWAHWHAABDR-NTUHNPAUSA-N 415.333 2.418 10 40 HECB CCN(CC)CCOC(=O)c1ccc(N/C=C2\SC(NC(C)=O)=NC2=O)cc1 618255328 XLVKBWWKEWKWKO-VBKFSLOCSA-N 404.492 2.204 10 40 HECB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 409000679 ZMWZOCVZXMDSKZ-ZHZULCJRSA-N 420.465 2.385 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N(C)C)cc1 5340465 XEMWSWDWAHONJA-LJQANCHMSA-N 402.926 2.441 10 40 HECB NC1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)S1 7004068 RDAQXWPNSYQJPT-UKTHLTGXSA-N 405.413 2.292 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733883 PMWRKXXEHYCWDF-JOCHJYFZSA-N 422.529 2.116 10 40 HECB COc1ccc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 66014536 DVDWTUUIWVWRBC-UHFFFAOYSA-N 401.419 2.340 10 40 HECB CNc1nc([C@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CNCC2 72372377 HMHRQDWMNKJOCE-HXUWFJFHSA-N 424.549 2.363 10 40 HECB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1NC(C)=O 9126897 RIWITRDVIRQSOB-UHFFFAOYSA-N 423.516 2.494 10 40 HECB O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\NCCCN1CCCCC1 102560286 ABONKPUNCQHWGK-LGMDPLHJSA-N 404.511 2.330 10 40 HECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409232528 QQLATLOBUQKLRS-YGRGUWMTSA-N 410.382 2.214 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCOCC2)cc1 22998863 AXMJNHPVFHFSPC-FQEVSTJZSA-N 414.481 2.020 10 40 HECB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(O)n3ncc(C(=O)OCC)c3n2)C1 51050673 CSEALJNRSUVJJK-LSDHHAIUSA-N 417.510 2.128 10 40 HECB COc1ccc(N(CCC(N)=O)CC(=O)NCCc2ccc(OC(F)F)cc2)cc1 8705883 LTIHYQBGHLWTAH-UHFFFAOYSA-N 421.444 2.337 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)O 2909304 IAFXJMUTDUFVOI-OQLLNIDSSA-N 410.382 2.133 10 40 HECB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Br)cc1O 6627420 SONPMAIAJZLDFQ-XCVCLJGOSA-N 404.263 2.449 10 40 HECB Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22665904 PODQSUJQVXQTED-OAQYLSRUSA-N 403.548 2.413 10 40 HECB COc1cccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1OC 2400439 HQFKWXGICVXXDA-MJWAUXSNSA-N 411.457 2.223 10 40 HECB COc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] 219825454 KRIJPWYMQPVZIR-UHFFFAOYSA-N 401.419 2.135 10 40 HECB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCCn1ccnc1 33543733 VZDARDNTWFJXEC-XNTDXEJSSA-N 404.492 2.430 10 40 HECB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)n3ncc(C(=O)OCC)c3n2)C1 51050680 CSEALJNRSUVJJK-GJZGRUSLSA-N 417.510 2.128 10 40 HECB O=C(O)COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 2306928 WXKXTOUZKAJAAO-NTEUORMPSA-N 400.387 2.120 10 40 HECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 21841357 BOKJXZXBDVCZOR-UHFFFAOYSA-N 417.462 2.042 10 40 HECB COC(=O)COc1cc(Br)c(/C=C2\SC(=S)NC2=O)cc1OC 409350746 YQMBLUOHWMVARK-WCIBSUBMSA-N 418.290 2.498 10 40 HECB COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(F)cc3)CC2)cc1 72238843 VFLIPDDQXLXELR-HXUWFJFHSA-N 404.482 2.413 10 40 HECB COc1ccc(N2CCN(C(=O)c3c(-n4cnnn4)sc4c3CCC4)CC2)cc1 524732593 QUHVXLWAMNZJKT-UHFFFAOYSA-N 410.503 2.184 10 40 HECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3ccccc3F)C2=O)cc1OC 17207578 BCUNWRUJOBSGGT-WYMLVPIESA-N 413.405 2.460 10 40 HECB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 408974205 WSPFFULKEJLXBD-UHFFFAOYSA-N 407.791 2.431 10 40 HECB CC(/C=C1\SC(=S)N(CC(=O)NN2CCN(C)CC2)C1=O)=C\c1ccccc1 5376112 MXWYDVLBTUMAIQ-GXDIDPINSA-N 416.572 2.113 10 40 HECB COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 26781684 VFIPTDYTIBKXRZ-LJQANCHMSA-N 400.475 2.044 10 40 HECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 409005217 SISNSYOCKXIJMQ-LGMDPLHJSA-N 422.397 2.098 10 40 HECB COc1ccc(-n2nnnc2CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1 9570425 WLTNKFYNRKPZMJ-UHFFFAOYSA-N 409.446 2.080 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCOCC2)cc1 22664910 UAGNVCUPIDJEEH-OAQYLSRUSA-N 401.482 2.460 10 40 HECB COc1cccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1O 12448969 DESAWFSRZAYHMN-NHCUHLMSSA-N 415.509 2.297 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998839 YLZPUVREUKLOMW-NRFANRHFSA-N 410.518 2.189 10 40 HECB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 5587885 INIPTURXUWUYPJ-AQTBWJFISA-N 421.457 2.116 10 40 HECB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 12885600 TVFDVNZYZJHHMW-UHFFFAOYSA-N 418.880 2.284 10 40 HECB CCOc1ccc(NC(=O)[C@@H](/N=N\c2ccc(S(N)(=O)=O)cc2)C(C)=O)cc1 104123616 HCSHEVGLVYXIJU-NFFVOIMASA-N 404.448 2.413 10 40 HECB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1 604381887 TUYHXUJZDQTRQT-HXUWFJFHSA-N 408.502 2.195 10 40 HECB biogenic,in-vitro Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1 408899375 OVNAFNHHJQYXGL-MHWRWJLKSA-N 404.426 2.160 10 40 HECB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 1105128 HMUVVIFHMSPNJY-NTEUORMPSA-N 412.423 2.233 10 40 HECB Cc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 4909461 KRRROLDQDLWUGG-WOSMYTDYSA-N 413.484 2.407 10 40 HECB Cc1ccccc1N1C(=O)/C(=C/NN2CCOCC2)C(=O)N(c2ccccc2)C1=S 13769307 HOQOCYCXYVUJDI-OBGWFSINSA-N 422.510 2.380 10 40 HECB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 2297500 VKOSYRUQJSLTSX-OQLLNIDSSA-N 408.366 2.258 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(CN2CCOCC2)cc1 20463573 XPPNZOBEJLLGSI-XSFVSMFZSA-N 420.469 2.093 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCCC2)cc1 4330683 UBQGQUMIVMMIKP-LJQANCHMSA-N 424.501 2.373 10 40 HECB O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccco2)C1=O 2679598 XGGOFKONBRVCSW-MDWZMJQESA-N 404.425 2.289 10 40 HECB COc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 9571126 QWPWKLWKBJLWCK-UHFFFAOYSA-N 413.381 2.168 10 40 HECB COc1ccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)CC2)cc1 916599 ZMFASMROKMNXHV-UHFFFAOYSA-N 417.531 2.118 10 40 HECB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1 409191117 SOTKGLXPAYNBCL-XNTDXEJSSA-N 412.423 2.233 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@H]3C(=O)O)C2=O)cc1 8765605 HNANMJHSAYTZGJ-QTNMRXCUSA-N 420.512 2.362 10 40 HECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccc(F)c2)N2CCOCC2)cc1 22665977 GJQDIIDMQCMUSH-FQEVSTJZSA-N 407.511 2.244 10 40 HECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 8765647 SFMQSTJELRCHBV-XWIYWHSKSA-N 408.413 2.280 10 40 HECB COc1cccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22664930 ODSQTOZKQCGMKT-JOCHJYFZSA-N 413.518 2.330 10 40 HECB O=C(O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2248802 WVCRQCASIDCKND-OQLLNIDSSA-N 400.774 2.470 10 40 HECB CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 12554342 GVWGJBKHJHKEMU-IBGZPJMESA-N 417.531 2.140 10 40 HECB C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 103003758 CXSBRJVTNIVWIT-ASKKUZCQSA-N 400.818 2.339 10 40 HECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 4470547 QUBXXZZROQWSNZ-PTNGSMBKSA-N 401.419 2.087 10 40 HECB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408914940 SBUFVDVOEIWZOO-RIYZIHGNSA-N 414.443 2.267 10 40 HECB CN1C(=O)C(=Cc2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)N(C)C1=O 6568861 WJRKNASTQAYMEV-UHFFFAOYSA-N 408.458 2.134 10 40 HECB COc1cc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(OC)c1 32956492 CCDKWSIXRLQSKI-UHFFFAOYSA-N 413.474 2.390 10 40 HECB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)c1 19911522 JXMCMDKERQBREA-UHFFFAOYSA-N 414.458 2.182 10 40 HECB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 222909803 PCEJLOPLNARNQJ-HXUWFJFHSA-N 417.531 2.376 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 4808898 OKQGZIGFXGMBLY-GZTJUZNOSA-N 410.382 2.215 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22594354 KMSOIIBAVPBZFW-QFIPXVFZSA-N 423.561 2.104 10 40 HECB O=C(O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 409069106 WGISXHOIWCDZEY-LCYFTJDESA-N 400.774 2.470 10 40 HECB CCN(CC)CCN/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2298421 GEAHDVSLTNCABW-SDNWHVSQSA-N 414.453 2.268 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCCC3)ccc21 8964092 HNIPLZOFCRQNKO-FQEVSTJZSA-N 412.559 2.310 10 40 HECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3F)C(=N)N21 20211379 WXSAFPDBPAWMRN-SKGSMITLSA-N 417.447 2.238 10 40 HECB O=C(O)CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 966832 ZILGMVUCXJAIFQ-ZHACJKMWSA-N 413.274 2.447 10 40 HECB CN(C)c1ccc(CN(C(=O)COc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4310248 LKHYMUULPYBASZ-IBGZPJMESA-N 402.516 2.347 10 40 HECB CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)C1=O 5867602 XQFRKASMBZXJRT-LDADJPATSA-N 422.485 2.382 10 40 HECB COC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8843428 JLZWYCGSPPNHII-GTENMVSRSA-N 423.494 2.067 10 40 HECB CN1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 9444725 SMAWYNWNLMBETP-NTCAYCPXSA-N 424.979 2.210 10 40 HECB CCOC(=O)c1cnn2c(O)cc(CN3CCN(Cc4ccccc4C)CC3)nc12 103240691 IFWOKTGZBGEHFP-UHFFFAOYSA-N 409.490 2.238 10 40 HECB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)C[C@H](C)O1 37175918 UMZAVEKJYLYGQI-IRXDYDNUSA-N 419.547 2.017 10 40 HECB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c1cccs1 21269896 QEYRFAVBPHTVJX-UHFFFAOYSA-N 400.412 2.410 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)CC2)cc1 13076381 ZTGPUSCRMUSTBZ-JWTNVVGKSA-N 414.502 2.282 10 40 HECB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1Cl 12932407 DNAHZJQXJKGXHZ-UHFFFAOYSA-N 404.853 2.211 10 40 HECB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 19934365 CBJZWMNPMZTFTN-UHFFFAOYSA-N 423.922 2.478 10 40 HECB CCOc1cccc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)c1O 20131130 KZXJWBQRSPEOQL-XSLAGTTESA-N 410.426 2.003 10 40 HECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998882 HHCNCQUCRFPCKZ-NRFANRHFSA-N 424.545 2.498 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H]1CSC[C@@H]1O 54361072 UKDRKUOLPPMLPU-DDBGXBMASA-N 408.570 2.261 10 40 HECB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1N1CCCC1=O 113947410 JZGGKICMAYXQPT-UHFFFAOYSA-N 403.504 2.367 10 40 HECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 2292572 MAXYHOOEPSAQBC-UKTHLTGXSA-N 400.387 2.120 10 40 HECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13689834 BPGMNBSEEWUCRM-GKWYLQRDSA-N 403.441 2.149 10 40 HECB COc1cccc(N2C(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)c1 13786027 MJFQGDFDSAHXRM-GZTJUZNOSA-N 410.455 2.397 10 40 HECB COc1ccc(N2CCN(Cn3ncc4ccc(OC)c(OC)c4c3=O)CC2)cc1 79496426 FZOUDUZSTIXMEB-UHFFFAOYSA-N 410.474 2.202 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)C2=O)c1 408537914 YAOLKZBQBQILDV-SXGWCWSVSA-N 410.382 2.296 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N(C)C)ccc21 8963986 BKOLLRNETGMSGI-FQEVSTJZSA-N 414.937 2.368 10 40 HECB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 408532951 NILNJVVKNXCOMF-ZRDIBKRKSA-N 412.358 2.191 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCOCC2)cc1 22998851 XZGJCBRVGRSZTJ-FQEVSTJZSA-N 414.481 2.020 10 40 HECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 56997797 NOKVAIGGAGURLO-UHFFFAOYSA-N 414.481 2.020 10 40 HECB O=C(O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107722693 QPEQZXAOIRJYNJ-ZROIWOOFSA-N 417.215 2.374 10 40 HECB COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)O 6627799 SQCCJHCRBXNRPT-RIYZIHGNSA-N 402.790 2.273 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1Cl 408992433 RXXCDAKYNWTBNP-UHFFFAOYSA-N 401.806 2.284 10 40 HECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccccc1 409129968 VOTGLPAQTZEFNT-AQTBWJFISA-N 424.432 2.194 10 40 HECB O=C1[C@@H]2[C@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1 20477539 HEHFOPZHMIPVSA-QRVBRYPASA-N 400.434 2.084 10 40 HECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1 408526194 AGSHZSIOJPWOPY-RVDMUPIBSA-N 419.441 2.073 10 40 HECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 408588919 XERYYFXSKLSPRJ-QINSGFPZSA-N 405.447 2.422 10 40 HECB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1O 9260449 MGMDTIYWSZRKCQ-QGZVFWFLSA-N 403.460 2.470 10 40 HECB Cc1c(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)oc2c(O)c(O)ccc12 20623315 APJBMVSDJFQFSO-UHFFFAOYSA-N 408.454 2.400 10 40 HECB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733819 VFUMAKRJHUZEAK-DEOSSOPVSA-N 422.573 2.471 10 40 HECB COc1ccc(CN2CCc3c(O)nc(N4C[C@@H](C)O[C@H](C)C4)nc3C2)c(O)c1 72347280 ZMGTZXYOUKQASA-ZIAGYGMSSA-N 400.479 2.068 10 40 HECB CN(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1 11859299 LISUYWICDWWBQD-RLFYNMQTSA-N 408.380 2.252 10 40 HECB COc1ccc(N2C(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C(=O)NC2=S)cc1 13800224 IYZPKBQRMXZDPH-GZTJUZNOSA-N 410.455 2.397 10 40 HECB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1O 409022052 IJSIGFMECUUABQ-AWNIVKPZSA-N 402.403 2.380 10 40 HECB CN(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 4164061 RLGWIPXYTKKFRI-QGZVFWFLSA-N 417.487 2.490 10 40 HECB CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)C(=O)N(C)C1=S 6287788 QXORONZEODVYQP-UHFFFAOYSA-N 424.526 2.253 10 40 HECB CCc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 56997799 MQNUYIUITXNHOM-UHFFFAOYSA-N 410.518 2.135 10 40 HECB COc1ccc(N(C)CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 95470730 JMFAITLQQKZKES-UHFFFAOYSA-N 403.504 2.237 10 40 HECB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCCc3ccccc3)C2=O)cc1OC 101062182 WTUMJECZTNXOHR-SDXDJHTJSA-N 423.469 2.041 10 40 HECB COc1cc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)ccc1O 41085249 SGTAEFDLGSSMCD-IQANBRSTSA-N 422.488 2.048 10 40 HECB CN1CCN(c2ccc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 219141296 ZRWMLYACKZVKCU-UHFFFAOYSA-N 420.513 2.131 10 40 HECB C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2ccccc21 409144287 KQQAMBCVHFMAIH-FMNVXAMXSA-N 424.526 2.299 10 40 HECB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)c(C)c1 409270415 FRVCEPIOCZCZGR-UHFFFAOYSA-N 409.467 2.235 10 40 HECB Cc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 1134364 BUQTUCBJTUOXEA-UYRXBGFRSA-N 424.526 2.187 10 40 HECB CN(C)c1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4310247 LKHYMUULPYBASZ-LJQANCHMSA-N 402.516 2.347 10 40 HECB COc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br 59426356 NILHTLAORMLGBO-UHFFFAOYSA-N 420.082 2.135 10 40 HECB CN1C(=O)C(=CNc2nnc(-c3ccc(Cl)cc3Cl)s2)C(=O)N(C)C1=O 408528562 HWLKGKHRKSRMBJ-UHFFFAOYSA-N 412.258 2.858 10 40 HECB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br 408548034 CDWBBVVBLRBGSN-UKTHLTGXSA-N 410.268 2.361 10 40 HECB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 223860952 LGMXYPOIWWZCBW-UHFFFAOYSA-N 424.906 2.442 10 40 HECB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 408827124 UQCHIVQNNZFNOP-LFIBNONCSA-N 410.382 2.459 10 40 HECB O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 4682188 XXWDTLGVDLSIJD-LICLKQGHSA-N 403.394 2.388 10 40 HECB COCCOCOc1ccc(OCOCCOC)c2c1C(=O)c1ccccc1C2=O 5808624 XQLPSNMIZICTAW-UHFFFAOYSA-N 416.426 2.461 10 40 HECB Nc1nonc1/N=N/N(CC(=O)Nc1c(Cl)cccc1Cl)c1nonc1N 8443436 VBUGLLVDDXRMNH-PTGBLXJZSA-N 413.185 2.068 10 40 HECB Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 3178613 GUUCUASTECVAHE-UHFFFAOYSA-N 418.457 2.225 10 40 HECB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963990 SODWMWBHRKXGAW-HXUWFJFHSA-N 410.518 2.435 10 40 HECB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C)c2)c1 12525814 XLVJOVQASIWDIY-UHFFFAOYSA-N 412.489 2.262 10 40 HECB COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccc(C(=O)O)cc1 409186734 HDXSUZSVWACFSM-UHFFFAOYSA-N 424.409 2.406 10 40 HECB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c1O 9260448 MGMDTIYWSZRKCQ-KRWDZBQOSA-N 403.460 2.470 10 40 HECB O=C(CN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21)NCCc1ccccc1 16733581 TZFLPIBNEMREHK-ZCXUNETKSA-N 423.519 2.251 10 40 HECB COc1cc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O 1737811 YRRDDGHGEHWWEL-XNTDXEJSSA-N 422.509 2.496 10 40 HECB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3nsnc23)c2ccccc2O1 19079046 ZJJQYLOCLBHWDN-HNNXBMFYSA-N 418.500 2.174 10 40 HECB CCOC(=O)Cc1csc(NC(=O)Nc2ccc(O)c(CN3CCOCC3)c2)n1 84793523 MONJNBGVSNHTHH-UHFFFAOYSA-N 420.491 2.431 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1Cl 409226236 QBGWHPHXTSKUBJ-OVCLIPMQSA-N 413.817 2.179 10 40 HECB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(F)cc1 6587136 MPTKGUZWQDUHBL-UHFFFAOYSA-N 415.421 2.290 10 40 HECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)OC)cc3)C2=O)cc1 408989979 VVWRRDUYIVKBCH-PDGQHHTCSA-N 408.410 2.467 10 40 HECB COC(=O)/C=C1/SC(N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)=NC1=O 1415531 GYOHTTOGTOTQII-VQCVXAJWSA-N 417.340 2.173 10 40 HECB Nc1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)Oc3ccc(N)cc3)c2)cc1 1760709 CMBCOKHVKVBTMN-UHFFFAOYSA-N 420.468 2.386 10 40 HECB O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(Br)s1 8569715 OFFLFNALUULPFX-LUAWRHEFSA-N 402.339 2.091 10 40 HECB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(O)c(O)cc2o1 19370022 WAABALYPLUVPJC-UHFFFAOYSA-N 410.426 2.251 10 40 HECB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1ccccc1Cl 409273262 WSEPKEATNQAWDS-UHFFFAOYSA-N 415.858 2.272 10 40 HECB COc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-] 96193416 ULPXXDWCYNTRQX-DHDCSXOGSA-N 416.415 2.057 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1OC 13553089 IKEUZJIPUJOEAW-BNDQCTAISA-N 411.457 2.223 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529582 CAPMGBJOKQSPKQ-UECWXEIQSA-N 421.497 2.087 10 40 HECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409044989 WXVITAGZJKNWIP-NTUHNPAUSA-N 416.773 2.175 10 40 HECB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 9311711 KYCWOGWZDXTGON-GDNBJRDFSA-N 421.431 2.031 10 40 HECB Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22733816 RSQCKQCXBKLJRX-XMMPIXPASA-N 422.573 2.471 10 40 HECB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C\c3ccc(O)c(O)c3)C(=N)N12 25076033 RQRNKANQNVONRU-GUAAEFLASA-N 415.452 2.370 10 40 HECB CCN(Cc1cc(Br)ccc1O)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 72304700 GGLZIFNZWCJXFD-SFHVURJKSA-N 424.295 2.224 10 40 HECB CNc1nc([C@@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CNCC2 72372376 HMHRQDWMNKJOCE-FQEVSTJZSA-N 424.549 2.363 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409086353 ZGJZXXHXWLQDOV-UHFFFAOYSA-N 414.355 2.210 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H]1CSC[C@H]1O 54361059 APKAKVBNXUCFRT-RBVCKMPFSA-N 412.533 2.010 10 40 HECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3nc4c(s3)CCC4)CC2)cc1 72406206 ADSVWDQFCIHTBZ-UHFFFAOYSA-N 415.519 2.111 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCC(=O)O 2904232 VQMMUEJUDHXTKZ-XNTDXEJSSA-N 416.430 2.343 10 40 HECB Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)C(=O)NC1=S 108004451 JZTPRBOJTGFUKA-MHWRWJLKSA-N 418.478 2.266 10 40 HECB O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1cccc(Cl)c1 199283743 NIAPJSKVBULWKW-UHFFFAOYSA-N 415.858 2.272 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nnc4nc(C)cc(C)n34)CC2)cc1 1365261 YVUWUNCUUOQDIE-UHFFFAOYSA-N 412.519 2.191 10 40 HECB CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13647674 FPTGPJHRGBVJCM-LFTLCWSBSA-N 404.517 2.017 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 245229621 CAPMGBJOKQSPKQ-ZBNTXBBCSA-N 421.497 2.087 10 40 HECB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(N)=O)c2)C1=O 409218498 JBIAIWAZYQRQHK-NVNXTCNLSA-N 413.817 2.179 10 40 HECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Cl)c3)C2=O)cc1 6640476 SELUVYHZZYAHPP-JYRVWZFOSA-N 400.774 2.499 10 40 HECB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(O)cc1 72336391 SJJLXHQNRCRKEW-ZROIWOOFSA-N 406.179 2.458 10 40 HECB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nnc[nH]2)SC1=S 256055920 ZAJMZLJJYMRXRT-FNWMBBJUSA-N 403.489 2.093 10 40 HECB COc1ccc(N2CCN(C[C@H](O)COCc3cc(OC)ccc3OC)CC2)cc1 12420278 QKVUQTCDYXCIKL-FQEVSTJZSA-N 416.518 2.412 10 40 HECB COc1ccc(CCN2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)cc1OC 9109497 RXKROZOVXNMNDG-VBKFSLOCSA-N 413.405 2.460 10 40 HECB CCC[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 13133420 YNBOUNHVJFIIOE-JFNLIGNMSA-N 424.453 2.474 10 40 HECB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22733724 WVMCIJYFOLLZLY-HSZRJFAPSA-N 408.546 2.406 10 40 HECB COc1ccc(N2CCN(Cc3nc(N)nc(NCc4ccccc4)n3)CC2)cc1 72470667 ANULFFRXFHYMSC-UHFFFAOYSA-N 405.506 2.397 10 40 HECB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(N2CCOCC2)C1=O 102733502 BZECYSXISWJPLF-UVTDQMKNSA-N 403.485 2.403 10 40 HECB CCCCN1C(=O)/C(=C\c2c(NCCO)nc3ccccn3c2=O)SC1=S 5825116 CVMWDZNSADMRSU-ACCUITESSA-N 404.517 2.100 10 40 HECB CN(C)c1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 8746101 KMGXQQBNQDEBCN-SFHVURJKSA-N 416.909 2.086 10 40 HECB CN1C(=O)/C(=C2\SC(=S)N(CC(=O)O)C2=O)c2cc(Br)ccc21 9310688 CBYMKMIOSFCANW-KHPPLWFESA-N 413.274 2.082 10 40 HECB CCN(CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CCN(CC)CC)c1C2=O 1691618 CDRRQRSBNBNLHB-UHFFFAOYSA-N 414.554 2.155 10 40 HECB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1Cl 5869694 OBSQEDZBXADXMJ-WTKPLQERSA-N 401.202 2.027 10 40 HECB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 408548055 CMBXBMGLEYLVJV-NTUHNPAUSA-N 404.762 2.364 10 40 HECB COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2CO)cc(O)c1O 13400255 ATBGMZCSYDMJJM-RHSMWYFYSA-N 402.355 2.095 10 40 HECB biogenic CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1O 16688763 LKKXAFDRMLTEGY-GDNBJRDFSA-N 410.382 2.244 10 40 HECB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 5530145 ABWOJAREWCSCQP-ATVHPVEESA-N 402.410 2.346 10 40 HECB O=C1CC[C@@H](NCc2ccc(O)c(CN3CCOCC3)c2)[C@H](c2ccccc2F)N1 19368235 ITOLDWWFSYUVKQ-OFNKIYASSA-N 413.493 2.473 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733907 GDZZJBWMNBFPFZ-JOCHJYFZSA-N 422.529 2.116 10 40 HECB CN(C)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 35060444 AEFUTBXTKBXRNZ-LDADJPATSA-N 424.913 2.369 10 40 HECB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 59535600 ULEJILGFJXEFDQ-UHFFFAOYSA-N 420.830 2.166 10 40 HECB Nc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2)cc1 1653136 JRJYMPBFLNQUCB-UHFFFAOYSA-N 418.500 2.453 10 40 HECB COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589045 KBCLUACYRAKVOW-QHCPKHFHSA-N 410.562 2.409 10 40 HECB COCCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1C 108211146 UHFQRDLQDMWXQH-YBEGLDIGSA-N 401.419 2.224 10 40 HECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5340521 AKVYSYWGAVIAFO-HXUWFJFHSA-N 411.506 2.069 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N(C)C)ccc21 8963845 YUFFFUBSJRTNFU-HXUWFJFHSA-N 414.937 2.368 10 40 HECB COc1ccc(N2CCN(C(=O)c3cccc(N(C)S(C)(=O)=O)c3)CC2)cc1 222410145 TVVQTSBQKXRSFI-UHFFFAOYSA-N 403.504 2.053 10 40 HECB Cc1ccccc1-n1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 48363940 OPJXNOPSTMKLJL-UHFFFAOYSA-N 408.414 2.454 10 40 HECB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(O)cc1 3068633 SJJLXHQNRCRKEW-NTEUORMPSA-N 406.179 2.458 10 40 HECB COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733710 PCSMAOLOCOQROZ-QFIPXVFZSA-N 408.546 2.406 10 40 HECB CC(C)CCNC(=O)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9630486 OOHTZNYRHVYELZ-UHFFFAOYSA-N 422.437 2.491 10 40 HECB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1C 409265607 UCDSUHJVXJNGAW-UHFFFAOYSA-N 409.467 2.235 10 40 HECB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 12909228 YGAFNPYHNVBFPB-UHFFFAOYSA-N 418.880 2.299 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100868497 GGQCMOHQXLXJQW-PMACEKPBSA-N 406.504 2.148 10 40 HECB CCOCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC1=S 217529777 MIIUIDCZQZRCGB-MDSFCDFBSA-N 419.572 2.396 10 40 HECB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6418366 BHNSBBVXKNAQBX-UHFFFAOYSA-N 404.488 2.383 10 40 HECB CCS(=O)(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(OC(C)C)cc3)S2)CC1 71784888 NZFMHVRDWZNAGB-LGMDPLHJSA-N 423.560 2.411 10 40 HECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 5149707 CWFWMADDZJOMPV-JYVXZMADSA-N 411.457 2.223 10 40 HECB O=C(OCn1nnc2ccccc2c1=O)c1cccc2c1C(=O)c1ccccc1C2=O 5560500 PXBYMBCTJQKFCC-UHFFFAOYSA-N 411.373 2.381 10 40 HECB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(C3CC3)C2=O)[nH]c2ccccc12 2406186 LCSLNZDBCRJTBF-PTNGSMBKSA-N 410.499 2.026 10 40 HECB C[C@@H]1CCc2sc(C(=O)OCC(=O)NCCN3C(=O)CSC3=S)cc2C1 5773821 SFKWMCKBYBKBBW-SNVBAGLBSA-N 412.558 2.006 10 40 HECB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)no1 13007887 DWNNJGICPUNAHI-LJQANCHMSA-N 411.506 2.257 10 40 HECB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1cccc(OC)c1O)CC3 19567226 RMEDKOCTTMLYJS-UHFFFAOYSA-N 411.458 2.186 10 40 HECB Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733822 VFUMAKRJHUZEAK-XMMPIXPASA-N 422.573 2.471 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733886 PMWRKXXEHYCWDF-QFIPXVFZSA-N 422.529 2.116 10 40 HECB COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408534186 VEYTXBTZVAFVJU-NTCAYCPXSA-N 410.386 2.220 10 40 HECB O=C1/C(=C\NN2CCOCC2)C(O)=NC(=S)N1c1cccc(C(F)(F)F)c1 19995411 FQUWBQOOBBJNGD-XFXZXTDPSA-N 400.382 2.014 10 40 HECB CCCNC(=O)CSc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23140033 ILJSDQCWYIPZNZ-UHFFFAOYSA-N 407.565 2.492 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCCC3)ccc21 8964091 HNIPLZOFCRQNKO-HXUWFJFHSA-N 412.559 2.310 10 40 HECB CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O 2060737 VSYREFAWLQZFFI-UHFFFAOYSA-N 400.303 2.197 10 40 HECB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)cc1 20207033 IHIGVYWDHYHLLI-ILZPQDLUSA-N 406.489 2.343 10 40 HECB CN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C(=O)NC1=S 1407309 CPEKRDBNIYKIAW-XNTDXEJSSA-N 413.430 2.100 10 40 HECB O=C1NC(=S)NC(=O)C1=CNc1nnc(-c2ccc(Cl)cc2Cl)s1 5567992 KLLDOIBSACEBBR-UHFFFAOYSA-N 400.272 2.339 10 40 HECB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1OC 20207227 DMENUIWUIZJVDQ-WGAGLLEQSA-N 422.488 2.104 10 40 HECB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccccc3SC)CC2)cc1 23134913 UJOYTOYKPPKTEM-UHFFFAOYSA-N 424.530 2.351 10 40 HECB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408532447 MSAZVSCGNJRVQQ-NTCAYCPXSA-N 410.386 2.220 10 40 HECB CNC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 12552460 KESPNEUFGGWZPX-JTQLQIEISA-N 407.517 2.132 10 40 HECB C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 19848798 CXSBRJVTNIVWIT-KSVNGYGVSA-N 400.818 2.339 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)N(C)C)cc1 61997234 NPUOXXAGEFKBFZ-DEOSSOPVSA-N 423.605 2.289 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409073057 WZYFFAHTIRUEIV-UHFFFAOYSA-N 422.871 2.022 10 40 HECB CN1CCN(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 5376099 SKCHKLGJQSPMAG-WIXUPIFPSA-N 416.572 2.113 10 40 HECB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 408994195 HCPFCAHJLPCSPA-UHFFFAOYSA-N 412.402 2.445 10 40 HECB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409050001 ZHCPHIHFLYKCHR-NTEUORMPSA-N 400.774 2.470 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N(C)C)ccc21 8963923 BGVGEUGNZADENX-LJQANCHMSA-N 402.445 2.315 10 40 HECB O=C(COc1ccccc1)NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 28628988 FZAQQWPOGXVVMQ-WQLSENKSSA-N 405.413 2.499 10 40 HECB COc1ccc(N2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)cc1 44841873 OQUWTZPBFDMTQH-UHFFFAOYSA-N 415.877 2.423 10 40 HECB COc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)c(O)c1 72347279 ZMGTZXYOUKQASA-KBPBESRZSA-N 400.479 2.068 10 40 HECB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3359108 CNWQHURLXPQFSB-UHFFFAOYSA-N 410.426 2.391 10 40 HECB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(O)c(O)c2o1 19370031 JTLVZXSRKQAEIN-UHFFFAOYSA-N 410.426 2.251 10 40 HECB biogenic CC(C)N1C(=O)/C(=C/NC[C@H](CC(=O)O)c2ccc(Cl)cc2)C(=O)NC1=S 20591963 OKRRHWCKDZTSSQ-IGVUGNCQSA-N 409.895 2.024 10 40 HECB COc1cc(N2CCCC2)c(OC)cc1/C=C1/C(=O)NC(=O)N(c2cccnc2)C1=O 9265201 VCCHVYDVXQWSJI-YBEGLDIGSA-N 422.441 2.365 10 40 HECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 56997818 FFYLNAZXGQNYTC-UHFFFAOYSA-N 410.518 2.189 10 40 HECB CCCN1C(=O)/C(=C/c2c(NCCOC)nc3ccccn3c2=O)SC1=S 1805162 QZWBFTAPOMNYFR-QBFSEMIESA-N 404.517 2.364 10 40 HECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCc3ccccc3)C2=O)cc1OC 5908639 WTUMJECZTNXOHR-OBGWFSINSA-N 423.469 2.041 10 40 HECB COC(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10386457 FZPLDYNOUUVXGG-UHFFFAOYSA-N 401.440 2.036 10 40 HECB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 34926539 DASZWXTYQPYNNX-UHFFFAOYSA-N 401.438 2.074 10 40 HECB CC(=O)[C@]1(/N=N/c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O 43366214 VOUJPBIIZGLQJV-STIUTOJCSA-N 406.420 2.451 10 40 HECB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 214683671 LIVADNIKUPQYQV-QGOAFFKASA-N 415.515 2.490 10 40 HECB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccccc3F)N3CCOCC3)ccc21 22735634 AMJLWXJVHPRNSI-HXUWFJFHSA-N 419.522 2.170 10 40 HECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@H](CO)Cc1ccccc1 33588239 ONZXXDVMJBWHHM-FBKCMUNRSA-N 402.497 2.201 10 40 HECB CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392517 IXHCHKHBKOITJY-JOCHJYFZSA-N 408.546 2.493 10 40 HECB CN1C(=O)C(=Cc2cc(Cl)c(OCC(=O)O)c(Cl)c2)C(=O)N(C)C1=S 59139467 PSFRRIDOICXCQX-UHFFFAOYSA-N 403.243 2.056 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)O 408692341 KGJUBQNCRRFQPV-WUXMJOGZSA-N 422.821 2.216 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cccs2)N2CCCC2)cc1 5340792 RFWGGEAYWJJBRW-IBGZPJMESA-N 400.548 2.384 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22594364 KMSOIIBAVPBZFW-JOCHJYFZSA-N 423.561 2.104 10 40 HECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)N2CCOCC2)cc1 22665973 GJQDIIDMQCMUSH-HXUWFJFHSA-N 407.511 2.244 10 40 HECB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1 2305741 VITJBQXPIMOWFK-DTQAZKPQSA-N 405.545 2.340 10 40 HECB CC(=O)N1[C@H](c2ccccc2O)SC[C@H]1C(=O)N(CCO)Cc1ccccc1 27118141 UBWFMWJABHLTEZ-RXVVDRJESA-N 400.500 2.376 10 40 HECB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@@H]1O 54361028 HMBHGKUAAXGDIM-GDEAUMNMSA-N 414.961 2.134 10 40 HECB O=C(Cn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21)Nc1ccc(F)cc1 9259326 WEWDNQANVUSSGG-UHFFFAOYSA-N 422.441 2.333 10 40 HECB COc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(OC)c1 13618746 MWMWQXCJMCUJEV-HKMIMPICSA-N 411.457 2.223 10 40 HECB CN(Cc1cc(Br)cc(Br)c1O)CN1C(=O)CCC1=O 31666703 IFTQIKFSMCJJRO-UHFFFAOYSA-N 406.074 2.456 10 40 HECB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(OC)nn4)C3)CC2)cc1 95478957 JGWMTZKWEQSPAK-QGZVFWFLSA-N 411.506 2.059 10 40 HECB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/NCc1ccco1 101653080 DFZFTAXWRVQHGU-UKTHLTGXSA-N 406.261 2.464 10 40 HECB COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1 409002169 YMHDLVUPNHHYHS-UHFFFAOYSA-N 417.874 2.448 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(OC)c3)nnc2n1 3242784 VBVLWLFOYNLQFQ-UHFFFAOYSA-N 402.484 2.122 10 40 HECB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 4813677 WQJDGCZCTPXIEX-UHFFFAOYSA-N 413.455 2.482 10 40 HECB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392516 IXHCHKHBKOITJY-QFIPXVFZSA-N 408.546 2.493 10 40 HECB Cc1cc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(O)nc3O)cc2)nc(C)n1 104090657 JEUWXUVCLNYZIZ-FCQUAONHSA-N 416.423 2.093 10 40 HECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1O 4550593 NUJLSHSNXFJDRD-QPEQYQDCSA-N 402.403 2.380 10 40 HECB COc1ccc(CCN2C(=O)NC(=O)/C(=C\Nc3cccc(F)c3)C2=O)cc1OC 9357843 BSGLLMVMGIXAJN-FOWTUZBSSA-N 413.405 2.460 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1O 408935972 FJQWGUJJYLCIDS-WUXMJOGZSA-N 416.773 2.419 10 40 HECB CC(=O)O[C@@H]1CC[C@]2(C)c3c(O)c(O)c([C@H](C)CO)c(O)c3C(=O)C(=O)[C@H]2C1(C)C 68601843 WZANACUCNABDFY-AVRFQRQQSA-N 420.458 2.290 10 40 HECB biogenic CCc1ccccc1N1C(=O)NC(=O)/C(=C\NC(=O)NCCc2ccccc2)C1=O 408533930 PPBPYUCWWLAEEM-SAPNQHFASA-N 406.442 2.258 10 40 HECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409221374 PLBKRDLRZVWBLI-SEJMYLSOSA-N 406.460 2.130 10 40 HECB CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 34702610 CFTUPTXGMPWTDG-CPZHOGDASA-N 410.426 2.487 10 40 HECB CCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2329911 NAEQCVVCXPTNEM-QBFSEMIESA-N 418.569 2.469 10 40 HECB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 408912469 GRSUNPMXIKDAHF-KPKJPENVSA-N 414.399 2.047 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCC[C@@H]3C(=O)O)C2=O)cc1 8765604 HNANMJHSAYTZGJ-MKRLJBPISA-N 420.512 2.362 10 40 HECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409262763 JWKXDCWFTHOKBD-UHFFFAOYSA-N 423.425 2.079 10 40 HECB CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCCC3)OC2=O)CC1 59489873 ZXBSCSVCKIKRCF-UHFFFAOYSA-N 415.446 2.490 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1 16694974 ODORDOMUFHBXAK-UHFFFAOYSA-N 421.453 2.042 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)N2CCc3ccccc3C2)cc1 35392519 GPMHLSFROYGXAJ-QFIPXVFZSA-N 406.530 2.247 10 40 HECB COC(=O)c1cc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2=O)C3(C)C)cc(C(=O)OC)c1 100900943 JUJRGZAQNOBANB-SFTDATJTSA-N 401.415 2.163 10 40 HECB CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 12554344 GVWGJBKHJHKEMU-LJQANCHMSA-N 417.531 2.140 10 40 HECB COc1ccc(CCN2C(=O)N=C(O)/C(=C/NN3CCCCC3)C2=O)cc1OC 17206225 NZKHRDUZSFGEPP-SQFISAMPSA-N 402.451 2.039 10 40 HECB Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c2c(=O)[nH]c(=O)n(C)c2n1 19716360 BZNNRGPIHGIQSH-HNNXBMFYSA-N 421.501 2.412 10 40 HECB COc1ccc(N2CCN(Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)CC2)cc1 33376930 RMAJQSODEVCULO-UHFFFAOYSA-N 410.474 2.271 10 40 HECB O=C1C(=CNN2CCOCC2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 5770345 DZCCGJJHTDQHHO-UHFFFAOYSA-N 408.483 2.072 10 40 HECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13692712 IOPNWLRLQMBEAE-LCFDYFRESA-N 403.441 2.149 10 40 HECB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)s1 22735728 CXCBSAJELLNHOB-LJQANCHMSA-N 421.588 2.401 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(N2CCOCC2)cc1 104804564 DQGODBVERAMLPZ-RGEXLXHISA-N 406.442 2.098 10 40 HECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N(C)C)ccc21 13008576 XILJCDUVONMSCI-IBGZPJMESA-N 424.501 2.155 10 40 HECB CCOC(=O)[C@@H]1[C@H](c2ccc(N(CC)CC)cc2)NC(=O)N[C@@]1(O)C(F)(F)F 19898503 UAFFFCIMZKMJNH-ZQIUZPCESA-N 403.401 2.317 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1C 22998878 CENVSTHLEWDKFV-QFIPXVFZSA-N 424.545 2.498 10 40 HECB COc1ccc(N2CCN(CCNC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 56997207 CNMIXLZRBQVIHI-UHFFFAOYSA-N 413.518 2.193 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\[C@H]3SC(=S)NC3=O)cc2)n1 104123392 QRHQRAKZPLHEEN-OUIWWDRTSA-N 408.490 2.144 10 40 HECB CC(=O)[C@@]1(/N=N\c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O 104123371 VOUJPBIIZGLQJV-FQMKLWGBSA-N 406.420 2.451 10 40 HECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccccc1Cl 3040818 OGCCZAPPZVLJDF-UHFFFAOYSA-N 400.774 2.317 10 40 HECB COc1ccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 4273343 LREYTABRAGOUNR-QGZVFWFLSA-N 424.501 2.341 10 40 HECB COc1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9338817 LPURHRFBEJQKRY-MRXNPFEDSA-N 411.439 2.425 10 40 HECB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@@H]1O 36579975 HMBHGKUAAXGDIM-KMSDLWBPSA-N 414.961 2.134 10 40 HECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(C)=O 408534855 MRXRFTHIAJNETL-UVTDQMKNSA-N 410.382 2.296 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 40092601 MLJZSOZIDHNEJD-FQEVSTJZSA-N 414.550 2.409 10 40 HECB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 19079671 QMIMISRZHYBRRD-UHFFFAOYSA-N 412.518 2.180 10 40 HECB COCCn1nnnc1[C@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 19594150 HFTNYDUNNMALQQ-IBGZPJMESA-N 414.535 2.301 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nc4cc(C)[nH]c4c(=O)[nH]3)CC2)cc1 57521081 KAQZZUGHWBVSQN-UHFFFAOYSA-N 413.503 2.009 10 40 HECB Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408758168 WJMUSGLDGMFFTE-KPKJPENVSA-N 404.224 2.368 10 40 HECB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)s1 22666069 UTMWTJYNJCIISJ-SFHVURJKSA-N 409.577 2.474 10 40 HECB CCN(CC)c1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 224134866 OQXDTYSKVWXIKS-UHFFFAOYSA-N 415.515 2.384 10 40 HECB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 409227971 YJAPGJOUYUOMNP-UHFFFAOYSA-N 413.817 2.415 10 40 HECB O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCO2 56102010 GLTIAWSQBZBNET-UHFFFAOYSA-N 406.529 2.490 10 40 HECB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)C4CC4)n3)CC2)cc1 9573757 WPOMDICAGNJLAK-UHFFFAOYSA-N 400.504 2.392 10 40 HECB CCOC(=O)c1c(N)sc2c1CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2 95964207 OCGCQKGQSADYDR-UHFFFAOYSA-N 416.547 2.248 10 40 HECB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 225679137 JKJCGHCTOWATLI-UHFFFAOYSA-N 417.531 2.232 10 40 HECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 20842382 ZYKGYMJLWTVNBJ-AKMXKPQHSA-N 409.421 2.419 10 40 HECB CC1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 23653347 JKIQZHJZQZUQIC-UHFFFAOYSA-N 400.523 2.413 10 40 HECB Cn1c(=O)n(C)c2cc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)ccc21 32099507 HEIHYVMPFADTTA-GHXNOFRVSA-N 400.797 2.131 10 40 HECB COc1ccc(N2CCN(C[C@@H](O)COc3cc(=O)oc4ccccc34)CC2)cc1 299838249 TZWAZCTXSKEXFZ-GOSISDBHSA-N 410.470 2.364 10 40 HECB O=C1N[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 6222067 NJGREJILWMBXGP-TYNCELHUSA-N 402.350 2.263 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3OC)OCO4)C2=O)cc1 409111810 CHEOAOPGOMFMJJ-NVNXTCNLSA-N 410.382 2.489 10 40 HECB C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2ccccc21 409144328 KQQAMBCVHFMAIH-RQNDZEIBSA-N 424.526 2.299 10 40 HECB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O)N1CCOCC1 2393792 KFNAUMVXZXVKSQ-GZTJUZNOSA-N 419.478 2.321 10 40 HECB Cc1ccc(S(=O)(=O)N2CCCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 8326042 CNSQZUPDURGZAR-UHFFFAOYSA-N 404.488 2.326 10 40 HECB O=C1c2ccccc2C(=O)c2c1cccc2N1C(=S)S[C@H]2CS(=O)(=O)C[C@@H]21 12139582 WIXFDMHBYIZRIP-GJZGRUSLSA-N 415.517 2.466 10 40 HECB O=C1NC(=O)C(=Cc2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)N1 8860892 HYVDYMCJRLCPAS-UHFFFAOYSA-N 422.418 2.357 10 40 HECB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)no1 9135509 QCZKEJZKGPQLJE-IBGZPJMESA-N 411.506 2.257 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CCOCC2)cc1 22998857 ZKTUPZFHNDPQBG-HXUWFJFHSA-N 414.481 2.020 10 40 HECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 104204078 PPLIHMCGXWXRRN-GSWFEHRJSA-N 417.429 2.390 10 40 HECB O=c1[nH]c(N2CCOCC2)nc2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 72347204 UBJSIFDSNDOUMW-UHFFFAOYSA-N 409.534 2.155 10 40 HECB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5340766 FSKRCBGNCHNPCP-JOCHJYFZSA-N 424.545 2.331 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)CC2)cc1 222451841 WEIAIAJTWKVBPU-UHFFFAOYSA-N 417.531 2.362 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N(C)C)ccc21 8963916 FEOYIOUKOOULRP-IBGZPJMESA-N 402.445 2.315 10 40 HECB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Cl)c1O 59140104 RTMPOFUYCDWIFX-UHFFFAOYSA-N 419.684 2.415 10 40 HECB C[C@]1(N(CCNCc2ccc(N)cc2)Cc2ccc(N)cc2)CCS(=O)(=O)C1 575420411 HQFDIBXLIWQTOY-NRFANRHFSA-N 402.564 2.020 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1 28297001 WPAARFBIOKYZOE-XNTDXEJSSA-N 420.512 2.220 10 40 HECB CCN(CC)C(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c2ccccc21 6630138 LYTBRSVFTXVCTG-LFIBNONCSA-N 412.515 2.156 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40092597 MLJZSOZIDHNEJD-HXUWFJFHSA-N 414.550 2.409 10 40 HECB C[C@H]1CN(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C[C@@H](C)O1 12581923 CKUDMWQPQSTMIO-OKILXGFUSA-N 407.422 2.255 10 40 HECB NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409214073 XRRJYPVCBAAOTQ-JYRVWZFOSA-N 419.509 2.158 10 40 HECB COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733707 PCSMAOLOCOQROZ-JOCHJYFZSA-N 408.546 2.406 10 40 HECB COC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c1C 408590133 GFJRDGCOHPFFSG-CXUHLZMHSA-N 411.414 2.166 10 40 HECB C[C@H]1CN(C(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 13801554 LKWIPAQIHURULV-OKILXGFUSA-N 408.454 2.116 10 40 HECB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cc(O)c(O)c(Cl)c2)N1)OCCCO4 12506245 KGKIWMBOHOKQJW-MRXNPFEDSA-N 401.810 2.359 10 40 HECB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 12917575 QRSFCTCCPXGINP-UHFFFAOYSA-N 418.880 2.299 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 12661652 YVIMYHFZDADHDL-GDLUXTLDSA-N 405.458 2.276 10 40 HECB biogenic CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCOCC3)ccc21 22735643 XJOMTKLZPUSAMT-NRFANRHFSA-N 419.522 2.170 10 40 HECB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)c1 408530939 JVYQYAGGDDHTOR-JLHYYAGUSA-N 420.429 2.222 10 40 HECB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408592440 KLVKPXYCVQCHHU-LICLKQGHSA-N 411.414 2.248 10 40 HECB Cc1c(N/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 4859737 QZEPDKZNIRWCEE-GHRIWEEISA-N 423.473 2.191 10 40 HECB CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)C1=O 8660966 IRTVAKLAGXQGQI-LICLKQGHSA-N 420.425 2.032 10 40 HECB O=C1N=C(O)/C(=C/NCCCN2CCOCC2)C(=O)N1c1cccc2ccccc12 102483401 DOJBSSLZQABJNE-SDXDJHTJSA-N 408.458 2.459 10 40 HECB C[C@@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 16713046 ROUKNCDQYBCAJR-QAIMEXFXSA-N 416.480 2.045 10 40 HECB COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1O 4657717 JWKBLHQWACRJPB-ZEKCGQBESA-N 409.427 2.472 10 40 HECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 6572182 JDQURVNVFOBGJQ-UHFFFAOYSA-N 422.485 2.365 10 40 HECB O=C(O)CCCCCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 4305375 RRQYPBMAIFTAKY-UHFFFAOYSA-N 401.440 2.385 10 40 HECB C/C(NN1CCOCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17087650 LQAMIXOUEBAGOV-CYVLTUHYSA-N 407.430 2.457 10 40 HECB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077731 OWRJQLCFSBFYNF-OVPUCLHSSA-N 405.505 2.154 10 40 HECB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(OC)nn4)C3)CC2)cc1 95478958 JGWMTZKWEQSPAK-KRWDZBQOSA-N 411.506 2.059 10 40 HECB O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C/NNC(=S)Nc1ccccc1 9111628 LPHLSYMJOBMONL-SDNWHVSQSA-N 403.533 2.349 10 40 HECB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998880 HHCNCQUCRFPCKZ-OAQYLSRUSA-N 424.545 2.498 10 40 HECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC[C@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 408536281 VSXFODNFGYDJTM-BXBHGGAKSA-N 424.413 2.002 10 40 HECB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 6313416 YTBBECAPJGUNPM-UHFFFAOYSA-N 408.410 2.243 10 40 HECB COc1ccc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)cc1 13806196 PDKKYUMZKCNGIM-UHFFFAOYSA-N 404.470 2.268 10 40 HECB COc1ccc(CCN2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1OC 34237187 NZKHRDUZSFGEPP-FYWRMAATSA-N 402.451 2.039 10 40 HECB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C[C@H]2CCCO2)C1=O 59417346 YEKRWYLLPMHSMA-FMNNIJNLSA-N 409.236 2.099 10 40 HECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833914 ICGCEJOUXQSXLB-UHFFFAOYSA-N 413.411 2.097 10 40 HECB CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4302363 FVIYCVPEWPIVJE-IBGZPJMESA-N 420.506 2.486 10 40 HECB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NN3CCN(C)CC3)C2=O)cc1 17083187 OOVTXHMWKJOTDF-FXBPSFAMSA-N 405.502 2.472 10 40 HECB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21 409238770 BNBBJCHHZNRDPA-LICLKQGHSA-N 418.409 2.266 10 40 HECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S 11565501 SFMQSTJELRCHBV-XJLIXMDFSA-N 408.413 2.280 10 40 HECB COc1cc(CN/C=C2\C(=O)NC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1 2393327 CQMDKYGLIFQIBA-LDADJPATSA-N 411.483 2.121 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)C2=O)cc1 408530268 DQJJXEVKWCDMGL-YBEGLDIGSA-N 410.382 2.296 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC 408860266 ZMYCKNBJJAIKPV-RIYZIHGNSA-N 410.382 2.489 10 40 HECB CCOCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC 17082831 KFAYVUQZNVDAHK-AQTBWJFISA-N 404.423 2.151 10 40 HECB O=C1c2ccccc2C(=O)[C@]23O[C@@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 104316091 DPEPLNNDWXFYPW-ZNQXQWGRSA-N 414.369 2.036 10 40 HECB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 223865031 KGRNKIXJJXMABB-UHFFFAOYSA-N 417.531 2.012 10 40 HECB C[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044669 OWKWVHBZYQYTHJ-NPMXOYFQSA-N 418.497 2.285 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NCCc1c[nH]c2ccc(O)cc12 6864293 YBSDSCDCTZSBCL-LDADJPATSA-N 404.426 2.168 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CC3CCCC3)CC2)cc1 11796460 YUXDOGYMTWWXFO-UHFFFAOYSA-N 423.579 2.234 10 40 HECB COc1ccc(N2CCN(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 12555171 VZCZMCJKMKJLIG-UHFFFAOYSA-N 424.545 2.497 10 40 HECB CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)c1 95467299 OTZXIRVODZGAIX-UHFFFAOYSA-N 401.784 2.283 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)CC2)cc1 4749141 FDWDFRULILEXGH-UHFFFAOYSA-N 419.503 2.173 10 40 HECB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 5340949 VTHZCJQIRAHUBA-NRFANRHFSA-N 424.545 2.331 10 40 HECB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCOCC3)C2=O)cc1 13810236 VITJBQXPIMOWFK-SSZFMOIBSA-N 405.545 2.340 10 40 HECB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 25664896 HGBAQBPTNPFVGK-UHFFFAOYSA-N 416.499 2.116 10 40 HECB CCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 40478703 JLJCCVNVTPORPG-UHFFFAOYSA-N 406.486 2.316 10 40 HECB NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 408961155 AVLHXBNDZYNXCJ-OVCLIPMQSA-N 415.858 2.035 10 40 HECB CCN(CC)c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 4905443 RMRAMTMWHODCHJ-OVPUCLHSSA-N 405.505 2.154 10 40 HECB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733806 YAYXTEWRILTXHM-QHCPKHFHSA-N 422.573 2.471 10 40 HECB O=C(CSc1nccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 40115119 JWIXISAVQUWBRT-UHFFFAOYSA-N 423.994 2.483 10 40 HECB Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(N)(=O)=O)cc32)c(C)n1C[C@@H]1CCCO1 59186086 MJTGCIDAMJXZHN-JJLFXSABSA-N 415.515 2.448 10 40 HECB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N3)cc1 35590275 OCOBHMMFTWTQDW-OAQYLSRUSA-N 406.486 2.454 10 40 HECB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N1CCN(C(=O)C2CC2)CC1 52642262 LVFKKCRKYVBMIP-UHFFFAOYSA-N 411.424 2.419 10 40 HECB COc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)N=C2O)cc1 8742373 XXKOFOLFHZAQIB-UEMWTREESA-N 410.382 2.418 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4c(=O)[nH]3)CC2)cc1 12470724 JBPSJSIQFQFJNR-UHFFFAOYSA-N 410.499 2.373 10 40 HECB CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 32895734 UAOHQNHJPAPNBE-UHFFFAOYSA-N 406.508 2.397 10 40 HECB CN(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 4164070 RLGWIPXYTKKFRI-KRWDZBQOSA-N 417.487 2.490 10 40 HECB COCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 19594063 FBCKKJAOCRBYEJ-NRFANRHFSA-N 408.506 2.240 10 40 HECB Cc1ccc2nc(NCCCN(C)C)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 2712984 NSHXLEIMOGWPKS-UVTDQMKNSA-N 417.560 2.198 10 40 HECB O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(O)cc1O 33341002 UDSAIGJDGQVEOV-NTUHNPAUSA-N 422.178 2.164 10 40 HECB CN1CCc2cc([C@H](CNC(=O)c3ccc4nsnc4c3)N3CCOCC3)ccc21 38671935 IASVKBMCHVYHIV-NRFANRHFSA-N 423.542 2.487 10 40 HECB Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409008137 ULXOKHYSYISMNU-UHFFFAOYSA-N 407.426 2.446 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3cc(-n4cccn4)ncn3)CC2)cc1 49404233 RYWPBUVEAOUDKZ-UHFFFAOYSA-N 410.503 2.112 10 40 HECB CCc1cccc2c(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)cn(CC(N)=O)c12 6568139 ZXQUTAPIIUUOPT-WOJGMQOQSA-N 422.485 2.484 10 40 HECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409007300 NQMVMCOVOZTEGE-UHFFFAOYSA-N 423.425 2.161 10 40 HECB CN(C)c1ccc(CNC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12588985 WEXCFURIRNTZAY-UHFFFAOYSA-N 410.518 2.425 10 40 HECB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409123545 HANZGNXVSJFCKE-MHWRWJLKSA-N 413.380 2.468 10 40 HECB CN(C)c1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 8746100 KMGXQQBNQDEBCN-GOSISDBHSA-N 416.909 2.086 10 40 HECB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCCn1ccnc1 9187705 OTEAJFPCFILETE-GDNBJRDFSA-N 404.492 2.430 10 40 HECB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(N2CCOCC2)C1=O 13693673 BZECYSXISWJPLF-GXDHUFHOSA-N 403.485 2.403 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NN1CCOCC1 13810346 OSGHSMCLAKJFRG-KAMYIIQDSA-N 411.936 2.295 10 40 HECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)N[C@H](Cc1c[nH]cn1)C(=O)O 100113504 XECIZRGTSOTREV-KWZJRMENSA-N 410.459 2.301 10 40 HECB CN(C)CCCN/C=C1/C(=O)N=C(S)N(c2cccc(C(F)(F)F)c2)C1=O 103105610 NRPSGIKRFAPGGA-RAXLEYEMSA-N 400.426 2.290 10 40 HECB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NCCN1C(=O)CSC1=S 3374295 OJGWTKKIJXGUBG-UHFFFAOYSA-N 407.300 2.127 10 40 HECB CCN1C(=O)NC(=O)/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C1=O 6517617 HAGNVUJWAQCZMO-GZTJUZNOSA-N 408.458 2.182 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 26686886 HUZAFBGIAUQDDB-ZENNRRHLSA-N 413.542 2.482 10 40 HECB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@H]1O 54361029 HMBHGKUAAXGDIM-GRXMUEBYSA-N 414.961 2.134 10 40 HECB COC(=O)c1ccc2c(=O)[nH]c(CN3CCN(c4ccc(OC)cc4)CC3)nc2c1 6505818 GBBAOFMBZDTWHM-UHFFFAOYSA-N 408.458 2.041 10 40 HECB COc1ccccc1N1CCN(C(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)CC1 8792501 AFHALUBBCAJVRO-UHFFFAOYSA-N 424.453 2.413 10 40 HECB biogenic O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 13572943 CKMVBGHPRBRUHJ-AYYGCFCKSA-N 422.553 2.095 10 40 HECB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCCCC2)cc1 13667793 PCKXLPZDGBRKKL-UHFFFAOYSA-N 413.499 2.138 10 40 HECB CCN(CC)CCCN/C=C1\C(=O)N(c2cc(OC)ccc2OC)C(=O)N=C1O 102488333 RQMMRCPOHHBEEF-SQFISAMPSA-N 404.467 2.332 10 40 HECB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2ccc(Br)cc2)cs1 40476901 PKDBKQAEUMQTQW-UHFFFAOYSA-N 409.290 2.399 10 40 HECB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1C 409263337 IRQCYNMWIPEFHC-UHFFFAOYSA-N 409.467 2.235 10 40 HECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2F)N2CCOCC2)cc1 22665964 YNDLRFZDLSPAOB-LJQANCHMSA-N 407.511 2.244 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@H]1CSC[C@@H]1O 54361057 APKAKVBNXUCFRT-JNCUSGHUSA-N 412.533 2.010 10 40 HECB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 225304600 NLYITWKENXLARS-UHFFFAOYSA-N 411.553 2.457 10 40 HECB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 223235966 MISMQSVPUGWULC-UHFFFAOYSA-N 405.520 2.380 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2n1 8871571 YNYKGDOMVCBUIC-UHFFFAOYSA-N 402.440 2.266 10 40 HECB CN(C)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 5033069 JUAWRNWGNOZMFR-HXBSJJRASA-N 410.503 2.384 10 40 HECB COc1ccc(N2CCN(C(=O)CN3CCN(c4ccccc4C)CC3)CC2)cc1 57438467 GDZKNOXMZCUIAQ-UHFFFAOYSA-N 408.546 2.474 10 40 HECB COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)Nc4ccccc4)n3)CC2)cc1 61719841 RTEQEUKOIHPQKJ-UHFFFAOYSA-N 419.485 2.217 10 40 HECB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 409048408 SVQLHCNEMXILMK-UKTHLTGXSA-N 400.774 2.470 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)N2CCOCC2)cc1 22664905 QJNVJTYZUWBZDH-FQEVSTJZSA-N 401.482 2.460 10 40 HECB COC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34793849 YNHPVQAPGWIGON-IIMQCXAKSA-N 409.442 2.154 10 40 HECB COc1cc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccs3)C2)ccc1O 95945886 CBDYVCCBKLMKFZ-INIZCTEOSA-N 401.488 2.472 10 40 HECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 409392826 NUOBOOUFBRFJTE-SFQUDFHCSA-N 403.354 2.447 10 40 HECB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2cccc(Br)c2)cs1 17149879 HNDKPNNVQOGFAW-UHFFFAOYSA-N 409.290 2.399 10 40 HECB Cc1cccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)c2C)c1 48346266 SSQPEMHFMMFDHA-UHFFFAOYSA-N 408.414 2.454 10 40 HECB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5791037 VKOSYRUQJSLTSX-DHDCSXOGSA-N 408.366 2.258 10 40 HECB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22664925 UHDRKPCVTPUIIU-FQEVSTJZSA-N 413.518 2.330 10 40 HECB Oc1ccc([C@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1O 3872805 OXLZNBCNGJWPRV-SZPZYZBQSA-N 420.506 2.016 10 40 HECB world COc1ccc(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 33736390 DJQADSWJERCUBT-UHFFFAOYSA-N 416.390 2.239 10 40 HECB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2cc(Cl)ccc2O)N[C@H]3C(=O)O)cc1 106937964 RMBALRUXMNXDFA-LUKYLMHMSA-N 400.818 2.257 10 40 HECB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1sc2c(c1C(N)=O)CCC2 6508499 PNITZOTZDRIYGM-UHFFFAOYSA-N 409.489 2.104 10 40 HECB COc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22664946 KCADBAQSVWTTBY-QFIPXVFZSA-N 413.518 2.330 10 40 HECB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(OC)cc3)C1=O)OCO2 409105440 JKSXLYFJYFMBTC-NVNXTCNLSA-N 410.382 2.489 10 40 HECB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409211404 NDBKIAHSYIUZKO-BOPFTXTBSA-N 403.504 2.332 10 40 HECB Cn1c(=O)oc2cc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 16363998 NBJZWFDGWJNVQZ-LCYFTJDESA-N 412.789 2.364 10 40 HECB COc1ccc(N2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3C)CC2)cc1 10112785 DKPASKXBKLKCQT-UHFFFAOYSA-N 403.504 2.338 10 40 HECB O=C1/C(=C/N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1C[C@@H]1CCCO1 100788653 JKMBXYXFPVOBRR-IIQBBMDZSA-N 417.556 2.148 10 40 HECB biogenic COc1ccc(N2CCN(CCCn3c(S)nc4ncccc4c3=O)CC2)cc1 20618235 MTLRKPKUSXGNGX-UHFFFAOYSA-N 411.531 2.301 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC)cc3OC)CC2)cc1 5402074 LKTPNSOPBRVTRN-UHFFFAOYSA-N 414.458 2.218 10 40 HECB CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 6517612 ZSJHEPGLVPNVES-XSFVSMFZSA-N 422.485 2.412 10 40 HECB C/C(NN1CCN(C)CC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17092188 NAJATBMMYSQSDK-SILNSSARSA-N 420.473 2.372 10 40 HECB C[C@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9187747 YYAKONUNISDLTD-SHLUWWQESA-N 404.492 2.497 10 40 HECB COC(=O)c1cc2ccccc2c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O 12820055 JRWLGIHGMIIUFL-QGZVFWFLSA-N 412.486 2.403 10 40 HECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N(C)C)ccc21 13008695 YSWBHGBNAATILB-JOCHJYFZSA-N 408.546 2.147 10 40 HECB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(O)c(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 57531386 NPWJRDXXBDLFEB-YWPYICTPSA-N 418.418 2.428 10 40 HECB COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(F)c3)C1=O)OCO2 4723837 KEQVZQBFPWAHPN-WLRTZDKTSA-N 400.387 2.394 10 40 HECB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(-n4cnnn4)c3)o2)SC1=S 11690115 GSDCNCDGMRVCHJ-VGOFMYFVSA-N 413.440 2.208 10 40 HECB COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 20493581 UTESINREBJOQKT-UHFFFAOYSA-N 404.488 2.134 10 40 HECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 145940655 VMHCZOJFILCETQ-NTUHNPAUSA-N 413.411 2.449 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1ccccn1 20840957 PJIFQFJWJAMFNT-RBAUTDOXSA-N 405.458 2.276 10 40 HECB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 33607821 RDQNNXDNBCIKBS-ATVHPVEESA-N 410.426 2.489 10 40 HECB COc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1S(=O)(=O)N(C)C 58264580 PKLGBIZDRLUAQN-UHFFFAOYSA-N 417.531 2.258 10 40 HECB CCc1cccc2c(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)cn(CC(N)=O)c12 409194042 KPQPYQWUEZVFBH-YVLHZVERSA-N 408.458 2.093 10 40 HECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998906 YPQNBTRTILWBND-JOCHJYFZSA-N 424.545 2.498 10 40 HECB CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408914608 RDQHUARACNMIGB-MHWRWJLKSA-N 412.373 2.434 10 40 HECB O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(OC(F)(F)F)cc1)CN=2 6661434 IEPFLOSYPVJSER-NVNXTCNLSA-N 406.389 2.087 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@@H]3c3cccnc3)C2=O)c1 19939302 REFQSLAAQCHPOU-GDLUXTLDSA-N 421.457 2.289 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(N)=O 33746559 QDWSVXHNJMEEDI-ZSOIEALJSA-N 415.833 2.064 10 40 HECB COc1ccc(NC2=N[C@@H](c3ccc(O)c(O)c3)n3c(nc(C)cc3=O)N2)c(OC)c1 104279909 BQISFGXGDZUDTA-LJQANCHMSA-N 423.429 2.421 10 40 HECB COc1ccc(N2CCN(C(=O)CN3CCN(Cc4cccs4)CC3)CC2)cc1 22772292 QVCFDXRMXAFEKG-UHFFFAOYSA-N 414.575 2.223 10 40 HECB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)N1CCOCC1 2832459 UCWNTIHLWWZDCN-GHRIWEEISA-N 401.488 2.182 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2n1 10165942 VNWHUIQXWOUOEW-UHFFFAOYSA-N 417.455 2.022 10 40 HECB COc1cc2c(cc1NCC(=O)N1CCN(S(C)(=O)=O)CC1)oc1ccccc12 10185988 ZGGDZFXIOZTBTH-UHFFFAOYSA-N 417.487 2.110 10 40 HECB COCc1cc(CNCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)no1 1620742349 YUGMPOIEYTXZGH-UHFFFAOYSA-N 412.469 2.367 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N(C)C)ccc21 8963846 YUFFFUBSJRTNFU-FQEVSTJZSA-N 414.937 2.368 10 40 HECB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1n[nH]c(=O)c2ccccc12 95465459 YYQWNACUWWTELY-UHFFFAOYSA-N 401.806 2.098 10 40 HECB CCCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCCC2 17270504 XXNOGUWWJIUUFU-UHFFFAOYSA-N 407.517 2.411 10 40 HECB C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)C[C@@H](C)O1 37175921 UMZAVEKJYLYGQI-IAGOWNOFSA-N 419.547 2.017 10 40 HECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(N3CCSCC3)nc12 9014081 QLSPSLOOXRRZEK-RAXLEYEMSA-N 418.569 2.387 10 40 HECB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1O 20207249 FTJPBRLAIIVGCE-WGAGLLEQSA-N 422.488 2.191 10 40 HECB COc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)cc3OC)CC2)cc1 7451154 QUSVLQYXLKRBLZ-UHFFFAOYSA-N 420.469 2.212 10 40 HECB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34883077 KCRNDIIZANMMNY-VMOJBDSFSA-N 410.426 2.487 10 40 HECB CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1 16678309 VYJRRNSLUVRDHS-UHFFFAOYSA-N 417.531 2.055 10 40 HECB Cc1ccc(C)c(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)c1 409255748 IPTGZAXWUGHNDM-UHFFFAOYSA-N 409.467 2.235 10 40 HECB CN1CCN(c2ccc(CNCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 95459042 AJIDFQQLBIETDI-UHFFFAOYSA-N 417.598 2.081 10 40 HECB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O 408723596 XLTXOIOWIQTADI-VZUCSPMQSA-N 419.802 2.491 10 40 HECB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 25605346 SAOZIUMFXHWOBT-IZZDOVSWSA-N 402.472 2.239 10 40 HECB CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(=O)NC1=S 4616608 OKGGTPAPKYKDTK-MHWRWJLKSA-N 413.430 2.100 10 40 HECB CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1O[C@H](C)C(=O)O 4660386 RDFIZUVNHBCRQY-GFCCVEGCSA-N 420.487 2.316 10 40 HECB CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 22412945 ILDXYYJJOLDIFT-UHFFFAOYSA-N 423.560 2.145 10 40 HECB CC1CCN(C(=O)Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)CC1 4599201 MLGDIMCGBKZTNE-UHFFFAOYSA-N 422.485 2.334 10 40 HECB COC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8843427 JLZWYCGSPPNHII-OXRZLYTFSA-N 423.494 2.067 10 40 HECB O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1(C(=O)c3ccccc3C1=O)N1CCC[C@H]21 247708490 HEHFOPZHMIPVSA-GUDVDZBRSA-N 400.434 2.084 10 40 HECB COCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 4736919 FFAUIDNNTABSPL-ATVHPVEESA-N 402.476 2.462 10 40 HECB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)cc1 5209207 XCENTXSHBWCWHI-WJDWOHSUSA-N 416.528 2.299 10 40 HECB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OC 59139815 FCHFQUDGPBNPNQ-UHFFFAOYSA-N 413.293 2.455 10 40 HECB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 216947140 DXIPPYZWXIIKAO-UHFFFAOYSA-N 404.492 2.134 10 40 HECB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 36752396 AUMUXKNIURLNNL-HNNXBMFYSA-N 408.506 2.382 10 40 HECB COc1ccc(N2CCN(C(=O)Cc3c(C)c4c(O)cc(O)cc4oc3=O)CC2)cc1 8792500 XLVDKXJGUKIUJO-UHFFFAOYSA-N 424.453 2.413 10 40 HECB biogenic COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N(C)C 9135438 YMDSHPQSKKMXIU-HXUWFJFHSA-N 410.518 2.435 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(OC)c3OC)CC2)cc1 4505837 MUZGVGFZBOAEDE-UHFFFAOYSA-N 414.458 2.218 10 40 HECB COCCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C 5977581 QBVOKUZRLPVUKF-GDNBJRDFSA-N 405.447 2.422 10 40 HECB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)O 9189388 ZIYWYCXOMFUOMK-JYRVWZFOSA-N 411.457 2.225 10 40 HECB O=C(COc1ccccc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)cc1 409219958 RZZPAAMSPQJFFB-UHFFFAOYSA-N 415.858 2.272 10 40 HECB O=C(COc1ccccc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1Cl 409261187 BPXJCWJDLYAECL-UHFFFAOYSA-N 415.858 2.272 10 40 HECB CCCCN1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848806 WJCIXUMIZZRTKY-ACTFIFLWSA-N 418.490 2.316 10 40 HECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1 101481735 JSZHAWDKSBCZRD-ACLQVGRQSA-N 403.382 2.286 10 40 HECB CCc1nc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631858 MIJAUWPFCOTVMF-GXDHUFHOSA-N 405.436 2.330 10 40 HECB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409253594 ZYOMKJLLYVQPHS-MHWRWJLKSA-N 406.460 2.131 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998837 YLZPUVREUKLOMW-OAQYLSRUSA-N 410.518 2.189 10 40 HECB CC[C@H](C)N1C(=O)/C(=C/c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 2620773 HIQLQWRCBKHKHJ-CJAAZZPWSA-N 418.544 2.407 10 40 HECB NC(=O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 5325478 YEOZGNPAMLSQQA-XNTDXEJSSA-N 413.480 2.097 10 40 HECB O=C(O)CCCN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 9420348 JJUZUCBTVIRKRI-MKMNVTDBSA-N 418.452 2.323 10 40 HECB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409108657 YBUOITMQWSKOCU-ZHZULCJRSA-N 420.469 2.363 10 40 HECB CN(C)c1ccc(/C=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 95959921 IIGUMGDTJUZFJM-SZLZGVTBSA-N 406.467 2.277 10 40 HECB O=C1Nc2ccccc2/C1=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 1774595 MEZORESVUILFDX-YPKPFQOOSA-N 417.493 2.104 10 40 HECB O=C1NC(=S)NC(=O)C1=C/C=C/c1coc2ccc(Br)cc2c1=O 2215789 PMJHQRSRSUYXRU-OWOJBTEDSA-N 405.229 2.026 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N(C)C)cc1 5340469 XEMWSWDWAHONJA-IBGZPJMESA-N 402.926 2.441 10 40 HECB CC[C@H](C)N1C(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N=C1S 102537654 BIPCSNFJNAODGX-CMHHUMAZSA-N 413.503 2.233 10 40 HECB CCOC(=O)[C@@H]1[C@@H](c2ccc(N(CC)CC)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 4140111 YRRUSJWDSVYMCO-VBQJREDUSA-N 419.469 2.482 10 40 HECB COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(OC)c1OC 96930783 NSEDZSMLKKPIEA-FOWTUZBSSA-N 424.544 2.246 10 40 HECB CCOC(=O)[C@@H]1[C@@H](c2c(O)ccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 106213740 DJMMCNRANUGDIQ-VBQJREDUSA-N 414.405 2.494 10 40 HECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 2339088 XETITEXRUFBVRH-LJLZWOEMSA-N 423.448 2.415 10 40 HECB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)CC1 1476358 ZRCILTAETIQJKW-OWBHPGMISA-N 423.516 2.172 10 40 HECB COc1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 6247932 PDBGGLLNYCAIEQ-UHFFFAOYSA-N 401.419 2.340 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)NCc1ccc(F)cc1 9975514 YPDZAMNRWDFAMK-UHFFFAOYSA-N 414.481 2.120 10 40 HECB COc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22664941 KCADBAQSVWTTBY-JOCHJYFZSA-N 413.518 2.330 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(=O)n(Cc4ccc(F)cc4)n3)CC2)cc1 16848162 UVVIJSWQPMGSDS-UHFFFAOYSA-N 422.460 2.402 10 40 HECB CN1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22665039 FELHMCSCQXDDKB-OAQYLSRUSA-N 411.506 2.379 10 40 HECB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589461 KMJAGRQLPUQXDG-QFIPXVFZSA-N 416.591 2.328 10 40 HECB O=C(O)CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409097652 NQXNADFSXSKIDT-GXDHUFHOSA-N 423.472 2.107 10 40 HECB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(O)c(I)c1 1315357 AMLYWKIRXXZPSK-XYOKQWHBSA-N 416.240 2.299 10 40 HECB Cc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3 2110362 FHJWRSMAGWNFTB-UHFFFAOYSA-N 421.453 2.234 10 40 HECB biogenic CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N(C)C)ccc21 8963924 BGVGEUGNZADENX-IBGZPJMESA-N 402.445 2.315 10 40 HECB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)C1 12117873 MNBDMIOHUFSCNK-SFHVURJKSA-N 423.561 2.401 10 40 HECB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C 223857764 OJHWAVXLUSQKBQ-UHFFFAOYSA-N 404.488 2.097 10 40 HECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Br)cc2)C[C@@H]1C(=O)O 256027989 NALMVINCPXBQHC-CHPNCVJKSA-N 412.290 2.301 10 40 HECB NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1407313 KMJFZFYARWICFQ-OQLLNIDSSA-N 415.858 2.035 10 40 HECB C#CCOc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33745114 AFEBCZQOFVVKMA-WJDWOHSUSA-N 407.382 2.467 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1CSC[C@@H]1O 54361056 APKAKVBNXUCFRT-PTRWATSXSA-N 412.533 2.010 10 40 HECB COc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1OC 2400441 HQFKWXGICVXXDA-ZDIKFAODSA-N 411.457 2.223 10 40 HECB C[C@@H](C(=O)NCCc1cnc[nH]1)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 13569491 YYAKONUNISDLTD-UXYFDLPDSA-N 404.492 2.497 10 40 HECB CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(OC)cc3)CC2)CC1 57802796 SJFNOGVKQXGQIX-QGZVFWFLSA-N 403.523 2.007 10 40 HECB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13551863 CMBDTCOFIKYSLJ-NASPGAHYSA-N 402.501 2.116 10 40 HECB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)cc1 19797633 HYJADUFZRIQZED-VKAVYKQESA-N 419.572 2.451 10 40 HECB COc1ccc(N2CCN(C(=O)CN(C)CC(=O)Nc3cccc(F)c3)CC2)cc1 6589307 JVOUXPJMHRRFBK-UHFFFAOYSA-N 414.481 2.053 10 40 HECB COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)NC2=S)c(OC)c1 59595767 FGTNTVQZUXHXOL-UKTHLTGXSA-N 401.444 2.194 10 40 HECB COc1ccc(N2CCN(C[C@H](O)COc3cc(=O)oc4ccccc34)CC2)cc1 299838250 TZWAZCTXSKEXFZ-SFHVURJKSA-N 410.470 2.364 10 40 HECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1Cl 409261057 AOOVVULHWKXFCM-UHFFFAOYSA-N 413.817 2.415 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC(C)=O 33684297 DIANNFLHEBJKBH-DHDCSXOGSA-N 411.370 2.380 10 40 HECB CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 12949846 NDHJRMGSAUDIBS-UHFFFAOYSA-N 405.841 2.421 10 40 HECB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 225603239 YERFVLXIIGZZMV-UHFFFAOYSA-N 419.547 2.478 10 40 HECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)cc([N+](=O)[O-])c1O 12363811 RIUTVPMKUXSEDV-GHXNOFRVSA-N 413.411 2.449 10 40 HECB COc1ccc(N2CCN(C(=O)Cc3c(C)c4ccc(O)c(O)c4oc3=O)CC2)cc1 8764451 IKOJJVPOCHGCJQ-UHFFFAOYSA-N 424.453 2.413 10 40 HECB biogenic COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NN2CCN(C)CC2)cc1 17083188 RUCBJJWWDNCPMM-FXBPSFAMSA-N 405.502 2.472 10 40 HECB COc1ccc(N2CCN(C[C@@H](O)COc3ccc(C(C)=O)cc3OC)CC2)cc1 19909159 PKLCAJDQACFZNN-HXUWFJFHSA-N 414.502 2.468 10 40 HECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2OC)OCO3)C1=O 409238324 MXADDDFOMOYCMZ-MDWZMJQESA-N 410.382 2.489 10 40 HECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc1 5009670 FPBHMNASAWYCEJ-DHDCSXOGSA-N 412.398 2.048 10 40 HECB C[C@H]1CCc2sc(C(=O)OCC(=O)NCCN3C(=O)CSC3=S)cc2C1 5773822 SFKWMCKBYBKBBW-JTQLQIEISA-N 412.558 2.006 10 40 HECB COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 19594065 FBCKKJAOCRBYEJ-OAQYLSRUSA-N 408.506 2.240 10 40 HECB C[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(N2CCCCC2)cc1 19716255 KBXVRJYPGKWLHB-INIZCTEOSA-N 408.506 2.388 10 40 HECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N(C)C)ccc21 13008692 YSWBHGBNAATILB-QFIPXVFZSA-N 408.546 2.147 10 40 HECB COc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13670178 IZLQATBLKSTRGY-UHFFFAOYSA-N 417.531 2.378 10 40 HECB CCOC(=O)COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC 409213593 UZJHQDJGIUOGGL-WJDWOHSUSA-N 424.409 2.304 10 40 HECB Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C 4366081 ZAQVZMOTWPKVMD-XRRWRBOQSA-N 404.423 2.114 10 40 HECB CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1O[C@@H](C)C(=O)O 4660385 RDFIZUVNHBCRQY-LBPRGKRZSA-N 420.487 2.316 10 40 HECB CC(=O)[C@]1(/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O 104123387 SEQHLNPJWFZWSM-JXLCAQNNSA-N 409.449 2.006 10 40 HECB COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccn(C)c4)CC3)c2c1 32935398 PHNRAKTUWMPBDJ-UHFFFAOYSA-N 415.515 2.399 10 40 HECB CCOc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O 408895805 LZBOURNDQFVWJB-UHFFFAOYSA-N 418.041 2.360 10 40 HECB O=C(NCc1ccccn1)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4819705 ONDBLONBWRFEAE-UHFFFAOYSA-N 401.422 2.191 10 40 HECB CC[C@]1(C(=O)O)N[C@H](c2cc(OC)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 13139849 QRYRWGOVFXJNOH-LVBDUCALSA-N 424.453 2.080 10 40 HECB COc1ccc(N2CCN(CCNC(=O)c3cc4ccccc4oc3=O)CC2)cc1 53132759 NMDATUQMEUINHL-UHFFFAOYSA-N 407.470 2.354 10 40 HECB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)O 82087191 JKMBUMQNBJOARJ-JYRVWZFOSA-N 411.457 2.225 10 40 HECB COc1ccccc1/C=C1\SC(=S)N(CC(=O)NCCCn2ccnc2)C1=O 6660840 QYLMUBKIXRLFAF-WJDWOHSUSA-N 416.528 2.299 10 40 HECB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3CCN(S(C)(=O)=O)CC3)c2C)c1 24508781 KANZFMHTKNNKIR-UHFFFAOYSA-N 403.548 2.471 10 40 HECB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 224353863 IFHRRCPTAISEEO-UHFFFAOYSA-N 409.537 2.355 10 40 HECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 408527832 GNEIFVIIKAGZMJ-DHZHZOJOSA-N 401.762 2.323 10 40 HECB O=C(CCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)NCCc1c[nH]cn1 9187688 ZJXOTGVHIQRMHZ-DHDCSXOGSA-N 404.492 2.499 10 40 HECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13689212 ZGZXQTLOJUWEAG-FMNNIJNLSA-N 403.441 2.149 10 40 HECB NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33653672 OARATCHGCJSLNL-SDQBBNPISA-N 406.225 2.319 10 40 HECB COc1cccc(O[C@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CC[C@@H]2O)c1 257279415 OGLZUPINPVYDLO-SFTDATJTSA-N 423.469 2.219 10 40 HECB COc1ccc(-n2nnnc2CNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 9571367 FJPOLRIILJRDNG-UHFFFAOYSA-N 414.422 2.018 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 12661653 YVIMYHFZDADHDL-BSKAQADGSA-N 405.458 2.276 10 40 HECB biogenic CN(C)c1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 27020993 IIGUMGDTJUZFJM-PBXDPIQXSA-N 406.467 2.277 10 40 HECB O=C1/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC(=S)N1C[C@H]1CCCO1 103789625 JKMBXYXFPVOBRR-SZXQWPFHSA-N 417.556 2.148 10 40 HECB COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1C 223859679 VYWXHKCEYUDQKH-UHFFFAOYSA-N 417.531 2.012 10 40 HECB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853548 PFVXQCMFLLXBPD-UHFFFAOYSA-N 403.847 2.360 10 40 HECB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1cccc(F)c1 32759598 ZLBFUNVYLGBZLY-UHFFFAOYSA-N 412.509 2.312 10 40 HECB O=C(O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409042819 CVYKNSSXMGTOPQ-RIYZIHGNSA-N 416.773 2.175 10 40 HECB CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN(c3ccc(OC)cc3)CC2)CC1 57802800 SJFNOGVKQXGQIX-KRWDZBQOSA-N 403.523 2.007 10 40 HECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1C 408536666 XEVQZVVIOWIKRN-PTNGSMBKSA-N 419.441 2.073 10 40 HECB COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1 57363062 KCADZOWNUGUQBM-UHFFFAOYSA-N 408.502 2.348 10 40 HECB C[C@@H](C(=O)NCCc1c[nH]cn1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 9187746 YYAKONUNISDLTD-LWHXSLQUSA-N 404.492 2.497 10 40 HECB O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)NC1CCCC1 3237806 MUEWBSVKLBWHAQ-UHFFFAOYSA-N 424.500 2.470 10 40 HECB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1O 33338889 CMQREXITLAMMOC-YHYXMXQVSA-N 418.212 2.112 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100868493 GGQCMOHQXLXJQW-WOJBJXKFSA-N 406.504 2.148 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1OC 1180344 VXZXNAVDTHDWCS-FOWTUZBSSA-N 422.528 2.154 10 40 HECB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3F)C1=O)OCO2 409071980 RCKQKPTWODGSIU-WDZFZDKYSA-N 400.387 2.394 10 40 HECB CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13551860 CMBDTCOFIKYSLJ-KWJWQAOWSA-N 402.501 2.116 10 40 HECB CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)OC3(CCCC3)OC2=O)CC1 59489889 UEHAMERDZSDMAA-UHFFFAOYSA-N 401.419 2.100 10 40 HECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373893 UJFZLUAKCSHTPG-BTJAISLDSA-N 406.235 2.171 10 40 HECB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22665909 PODQSUJQVXQTED-NRFANRHFSA-N 403.548 2.413 10 40 HECB CCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 23200470 UGLNTNYASOOMKV-LFIBNONCSA-N 422.528 2.154 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/[C@H]3SC(=S)NC3=O)cc2)n1 104123398 QRHQRAKZPLHEEN-RUWSDDDDSA-N 408.490 2.144 10 40 HECB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 408536282 VSXFODNFGYDJTM-GANRHZMWSA-N 424.413 2.002 10 40 HECB C[C@H]1CN(C(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)C[C@H](C)O1 4947721 CKUDMWQPQSTMIO-KBPBESRZSA-N 407.422 2.255 10 40 HECB Nc1cc(N)cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 5935429 SOFNEWZQZRRDOT-UHFFFAOYSA-N 415.405 2.422 10 40 HECB CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 6355837 HIQLQWRCBKHKHJ-OJLMPMFISA-N 418.544 2.407 10 40 HECB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc(O)n3ncc(C(=O)OCC)c3n2)C1 51050677 CSEALJNRSUVJJK-CABCVRRESA-N 417.510 2.128 10 40 HECB CCN(CC)C[C@@H](O)CNc1ccc(NC[C@@H]2CO2)c2c1C(=O)c1ccccc1C2=O 5424131 JYOOEVFJWLBLKF-JKSUJKDBSA-N 423.513 2.387 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCOCC2)cc1 22998861 AXMJNHPVFHFSPC-HXUWFJFHSA-N 414.481 2.020 10 40 HECB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCN(C)CC2)c1O 22822981 CCBIHBJCQZDRFE-KRWDZBQOSA-N 414.531 2.387 10 40 HECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC 5340543 YHSKAWZPXMIOLY-GOSISDBHSA-N 414.506 2.127 10 40 HECB CC(C)[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 102729186 WNJRJDCMWAWMBB-RCCFBDPRSA-N 406.413 2.377 10 40 HECB Nc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 95944672 ZRPVLUHMLNXCBC-UHFFFAOYSA-N 421.544 2.063 10 40 HECB COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)NC1=S 98086712 RAXKEMAECMLIQL-LFIBNONCSA-N 400.456 2.130 10 40 HECB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 409097877 HQXVYPGFLPUUCP-XMHGGMMESA-N 423.494 2.363 10 40 HECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409232527 QQLATLOBUQKLRS-PKVLTRFUSA-N 410.382 2.214 10 40 HECB O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCO)ccc(NCCCCO)c21 5386601 LHBFYZKHRRLTFH-UHFFFAOYSA-N 414.458 2.242 10 40 HECB CCN(CCC(=O)N1CCC[C@@H]1c1ncc(C(N)=O)c(C)n1)c1ccc(OC)cc1 19756032 UISUBHZHWNTNSN-LJQANCHMSA-N 411.506 2.473 10 40 HECB COc1cccc(-c2cc3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)c1 22936585 YBBWRIDCGXACJI-UHFFFAOYSA-N 410.470 2.284 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409065626 IGXOCOMEXIPYJB-UHFFFAOYSA-N 422.871 2.022 10 40 HECB COc1ccc(-c2noc(-c3cccc(NC=C4C(=O)NC(=S)NC4=O)c3)n2)cc1 9340772 MTBXPSSYONBWGH-UHFFFAOYSA-N 421.438 2.239 10 40 HECB CCOCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC1=S 100789091 MIIUIDCZQZRCGB-NCFHRGEBSA-N 419.572 2.396 10 40 HECB biogenic COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 6587815 SAULJZIQOSSWNA-UHFFFAOYSA-N 404.488 2.367 10 40 HECB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccccc21 22523615 QZBXXSJIRXOEAP-HXUWFJFHSA-N 415.515 2.130 10 40 HECB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1 1103014 BCMQCNFIECNBPV-UHFFFAOYSA-N 415.858 2.272 10 40 HECB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 2315618 JHCCZIVQFPAQRU-CYBMUJFWSA-N 410.382 2.118 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 26686881 HUZAFBGIAUQDDB-CDCQXCROSA-N 413.542 2.482 10 40 HECB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 9444397 ZRCILTAETIQJKW-WYMLVPIESA-N 423.516 2.172 10 40 HECB COc1ccccc1NC(=S)NNc1nc(N2CCCC2)nc(N2CCCC2)n1 4331128 ISRATRXLVFXWBM-UHFFFAOYSA-N 414.539 2.394 10 40 HECB CCC[C@@H]1N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2C(C)=C1C(=O)OCC 107705891 HLJMLYRAUIVHBW-XIDKLXSXSA-N 413.543 2.401 10 40 HECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 113834897 LOEZFNTVRWWCGU-UHFFFAOYSA-N 413.411 2.097 10 40 HECB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408915835 ZWEHFFAOLDHKCO-AWNIVKPZSA-N 415.333 2.418 10 40 HECB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(I)c1 409399795 MMQIONAOHFSVHJ-WQLSENKSSA-N 406.179 2.458 10 40 HECB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 3659244 BWALXUPAFQBRSD-ZHZULCJRSA-N 420.469 2.363 10 40 HECB Cc1cc(/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc2c(c1)OCO2 8162478 SLYMUWNRRQEWDF-UKTKYZJWSA-N 416.499 2.482 10 40 HECB CCn1c(-c2ccccc2)cnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 8484237 KYAJQHOGILPDHU-UHFFFAOYSA-N 411.487 2.312 10 40 HECB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 78869146 TYKIWHJNXJJSHT-UHFFFAOYSA-N 418.475 2.406 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 229919934 CAPMGBJOKQSPKQ-DBYOASNMSA-N 421.497 2.087 10 40 HECB O=C(O)COc1ccc(/C=C2/C(=O)N=C(O)N(CCc3ccc(F)cc3)C2=O)cc1 17044537 UDXGQNHQRSCBFQ-BOPFTXTBSA-N 412.373 2.198 10 40 HECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13689210 ZGZXQTLOJUWEAG-OXBCTQFSSA-N 403.441 2.149 10 40 HECB CC(=O)[C@]1(/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O 43910754 SEQHLNPJWFZWSM-XZOUCZQKSA-N 409.449 2.006 10 40 HECB CN1CCN(c2ccc(CNC(=O)c3cccc(CN4CCOCC4)c3)cc2)CC1 219249817 YSLATACYVOKKKY-UHFFFAOYSA-N 408.546 2.201 10 40 HECB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)cc1 41084469 ZSXQKIOAYCTXAA-ZEOUHTHCSA-N 412.519 2.442 10 40 HECB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc2nsnc12 14256265 GMQFFWYAKFJLDL-UHFFFAOYSA-N 409.445 2.296 10 40 HECB COc1ccc(-c2nc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n3n2)cc1OC 254513958 JSWZBQDTBRBSIM-UHFFFAOYSA-N 408.483 2.449 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 5810711 VVQACMJPAXFECK-XMHGGMMESA-N 407.426 2.198 10 40 HECB C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 23653480 OUCDQSOYKRLJNP-JTSKRJEESA-N 400.523 2.413 10 40 HECB CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392503 YCHFGHGRVMCZFO-JOCHJYFZSA-N 408.546 2.494 10 40 HECB COc1cccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1OC 96193377 UAEGKKBIGGVGON-WJDWOHSUSA-N 401.444 2.157 10 40 HECB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 13791297 XNHIMRBOSNEYPP-ZDUSSCGKSA-N 412.467 2.072 10 40 HECB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 1865169 USVHUOYIVVDVEW-NTCAYCPXSA-N 423.311 2.237 10 40 HECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1C 22998876 CENVSTHLEWDKFV-JOCHJYFZSA-N 424.545 2.498 10 40 HECB COc1cc(OC)c(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 102480589 ZNNXWBTUWVXUAA-HQQGHWSLSA-N 413.883 2.058 10 40 HECB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1 13574845 ONZXXDVMJBWHHM-KWZJRMENSA-N 402.497 2.201 10 40 HECB COc1ccc(N2CCN(CCNC(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 56896014 NKTQWWQIQMVQHT-UHFFFAOYSA-N 406.486 2.298 10 40 HECB C[C@@H]1CN(C(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 4820234 LKWIPAQIHURULV-ZIAGYGMSSA-N 408.454 2.116 10 40 HECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccccc2)c1=O 13370503 GDRVCQNNCDWEKD-WJDWOHSUSA-N 406.373 2.177 10 40 HECB CCN(CCC(=O)N1CC[C@H](c2ncc(C(N)=O)c(C)n2)C1)c1ccc(OC)cc1 19758214 MGWSJYJAGNFOEE-INIZCTEOSA-N 411.506 2.125 10 40 HECB C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 19848800 CXSBRJVTNIVWIT-QOIOWGMHSA-N 400.818 2.339 10 40 HECB CCCCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848804 APXRCPCJZBJNDW-VDNWNZSNSA-N 418.490 2.316 10 40 HECB CS(=O)(=O)c1ccc(N2CC=C(c3cncc(F)c3)CC2)c(S(C)(=O)=O)c1 95468679 JDZLYCYIYHHOGC-UHFFFAOYSA-N 410.492 2.321 10 40 HECB COc1cc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccs3)C2)ccc1O 95945887 CBDYVCCBKLMKFZ-MRXNPFEDSA-N 401.488 2.472 10 40 HECB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)N(C)C1=S 1154260 HMKGSCMYOZIEOS-UHFFFAOYSA-N 409.467 2.303 10 40 HECB COc1ccc(N2CCCN(CC3CCN(C(=O)c4ccnn4C)CC3)CC2)cc1 19289092 KODSQOFIXLAKPL-UHFFFAOYSA-N 411.550 2.493 10 40 HECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361180 BPGMNBSEEWUCRM-BPLGCGBFSA-N 403.441 2.149 10 40 HECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccs1 96193598 HYCZZWXZSVNCOC-UHFFFAOYSA-N 402.453 2.280 10 40 HECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1C 408956423 WREUXZDCCNUWPK-RIYZIHGNSA-N 410.382 2.407 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 12662425 HETXIURXTGWMII-BSKAQADGSA-N 421.457 2.289 10 40 HECB biogenic O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCN1CCCC1=O 54360874 VRJMZMJKSCDAOH-QINSGFPZSA-N 403.529 2.017 10 40 HECB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1O 6670474 ZVWYQISTHUSJMK-QGZVFWFLSA-N 403.460 2.470 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 408770880 ASRRJHANRKBWPK-OQLLNIDSSA-N 410.382 2.133 10 40 HECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O 5673401 TZZITLDHICFNEX-SDNWHVSQSA-N 409.398 2.071 10 40 HECB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O 408722791 NGHMHPVDHQNWDX-NYYWCZLTSA-N 419.802 2.491 10 40 HECB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc2c(c1)CCC2 24508957 XERILKVJEPQPKY-UHFFFAOYSA-N 415.559 2.343 10 40 HECB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1 1249953 AJCHHIIBZMJARW-SAPNQHFASA-N 418.588 2.255 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 32772590 QSFLFYUOZZDVTG-UHFFFAOYSA-N 418.497 2.400 10 40 HECB CCCOC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 35088777 DBXHRRGCOPHOLB-GHXNOFRVSA-N 412.445 2.463 10 40 HECB CCOC(=O)N1CCN(C(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)CC1 4745906 WQDKGZQIRXZRTR-NTCAYCPXSA-N 419.528 2.432 10 40 HECB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCOCC2)SC1=S 618255148 PKSSSHYPVRDHBS-NWCRWOLESA-N 406.529 2.195 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c1 1197230 BAVLXMQPPHBICY-XNTDXEJSSA-N 412.398 2.387 10 40 HECB COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 19704788 VOQMEODYUMWMNJ-LJQANCHMSA-N 422.489 2.042 10 40 HECB COc1ccc(N2CCN(C[C@H](O)COCCOc3cccc(OC)c3)CC2)cc1 23224706 YIGSQKAADPCYMC-FQEVSTJZSA-N 416.518 2.282 10 40 HECB O=C1N[C@@H](c2ccc(O)c(O)c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 6222066 NJGREJILWMBXGP-SLEUVZQESA-N 402.350 2.263 10 40 HECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 14671675 UJFZLUAKCSHTPG-NPQKIFFKSA-N 406.235 2.171 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c([N+](=O)[O-])cc1OC 408915830 ZUGCCGCMGLANCZ-AWNIVKPZSA-N 415.333 2.418 10 40 HECB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc2c1OCO2 408917890 CJGPPPDXRUNUMF-MLPAPPSSSA-N 400.387 2.394 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409064969 JRLFWIGFHZMANW-UHFFFAOYSA-N 422.871 2.022 10 40 HECB CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(O)c(O)c3)C(=N)N12 13655851 RQRNKANQNVONRU-NVMOYFHGSA-N 415.452 2.370 10 40 HECB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC)c1C 40476938 OUWNLYGYVQFJKV-UHFFFAOYSA-N 409.489 2.043 10 40 HECB CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1C 408623722 POLQADCWBDGICD-UHFFFAOYSA-N 417.531 2.264 10 40 HECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408870834 XOXRIVPKGLGUSX-UHFFFAOYSA-N 413.411 2.097 10 40 HECB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)C1 12117872 MNBDMIOHUFSCNK-GOSISDBHSA-N 423.561 2.401 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 8964065 LUZVMDIQKNXTSC-JOCHJYFZSA-N 424.520 2.388 10 40 HECB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2)cc1 408914495 QAZFOBRINJQCEX-GZTJUZNOSA-N 409.467 2.269 10 40 HECB COc1ccc(-c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3n2)cc1OC 2389608 JSWZBQDTBRBSIM-WOJGMQOQSA-N 408.483 2.449 10 40 HECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C2=O)cc1 4545599 SMHTXWCJLXXFEI-ATVHPVEESA-N 414.439 2.254 10 40 HECB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 4893807 QWNXRTVZMIIWRZ-ATVHPVEESA-N 409.423 2.055 10 40 HECB COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 12556168 KFOYKIQQXBINMF-UHFFFAOYSA-N 413.430 2.490 10 40 HECB C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 15276290 OLRUNIKMULYONL-WCLQXYBISA-N 414.845 2.335 10 40 HECB Oc1ccc([C@@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1O 3872806 OXLZNBCNGJWPRV-VXKWHMMOSA-N 420.506 2.016 10 40 HECB world O=C1NC(=O)C(=Cc2ccc(-c3ccc(Br)cc3C(=O)O)o2)C(=O)N1 6083935 JMHCTRBDGDUDCF-UHFFFAOYSA-N 405.160 2.157 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccs3)CC2)cc1 11796556 OQBWSTOKKZRCPP-UHFFFAOYSA-N 423.560 2.029 10 40 HECB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 25315336 CCRWGAPKIKCEDQ-UHFFFAOYSA-N 404.488 2.244 10 40 HECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCN1CCOCC1 103918233 FHUMGQZOKYSMBM-CYVLTUHYSA-N 401.467 2.293 10 40 HECB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 19497575 XPJYWTMQOKJMAW-CHWSQXEVSA-N 404.898 2.301 10 40 HECB COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589051 KBCLUACYRAKVOW-HSZRJFAPSA-N 410.562 2.409 10 40 HECB CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCN1CCOCC1 20503974 JUTUWLWQIPWKTJ-OALUTQOASA-N 419.566 2.087 10 40 HECB biogenic,in-vitro Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cc(Cl)ccc4O)N[C@@H](C(=O)O)[C@H]3C2=O)cc1 106937960 RMBALRUXMNXDFA-MWDXBVQZSA-N 400.818 2.257 10 40 HECB Cc1ccc(C)c(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 409255199 HJFWVXRUZMLZLB-UHFFFAOYSA-N 409.467 2.235 10 40 HECB Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22733812 RSQCKQCXBKLJRX-DEOSSOPVSA-N 422.573 2.471 10 40 HECB CCN1CCCc2cc(CN3CCc4c(O)nc(N5CCOCC5)nc4C3)ccc21 72347206 MPOGNFJHYJVYCL-UHFFFAOYSA-N 409.534 2.350 10 40 HECB COc1ccc(N2CCC(N(CCN3CCOCC3)Cc3ccnn3C)CC2)cc1 19289218 VDMXRQVLXWRLLB-UHFFFAOYSA-N 413.566 2.232 10 40 HECB O=C(O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108047785 OYTNJJZIPJDUHG-JYRVWZFOSA-N 417.215 2.374 10 40 HECB O=C(O)CCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 5776401 ZSFZKAFTDSXOMW-UHFFFAOYSA-N 401.440 2.385 10 40 HECB CCN(C(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 13574505 BFALYPTWVMBETN-MKRLJBPISA-N 424.569 2.167 10 40 HECB C[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044668 OWKWVHBZYQYTHJ-IQMFZBJNSA-N 418.497 2.285 10 40 HECB CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(N)=O 15930666 VBPRCOATTNHVJH-LICLKQGHSA-N 423.425 2.454 10 40 HECB Cc1nc2ccccc2c(=O)n1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 16363343 ADKBHPBOBQEMJJ-GDNBJRDFSA-N 423.816 2.069 10 40 HECB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)OC(C)C 6159853 LSCXZJBNQZPKIM-SFQUDFHCSA-N 410.426 2.487 10 40 HECB COc1ccc(N2CCCC2)cc1C(=O)N1CCC(c2ccc(C(N)=O)c(N)n2)CC1 19765881 VXNOFNHGWWUCLV-UHFFFAOYSA-N 423.517 2.391 10 40 HECB COc1ccc(CN2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c(O)c1 12185567 MJAAPWLLTIKSJS-UHFFFAOYSA-N 411.458 2.186 10 40 HECB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccccc21 22523611 QZBXXSJIRXOEAP-FQEVSTJZSA-N 415.515 2.130 10 40 HECB O=C(C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)N1CCOCC1 48990148 DHQAGGXYNIIIAW-UHFFFAOYSA-N 414.439 2.041 10 40 HECB CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N(C)C1=S 59139721 SXYHOIBAQJSJQG-UHFFFAOYSA-N 416.371 2.362 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\[C@@H]3SC(=S)NC3=O)cc2)n1 104123401 QRHQRAKZPLHEEN-AKDSAVJFSA-N 408.490 2.144 10 40 HECB Cc1cc(C(=O)COC(=O)[C@@H](C)NC(N)=O)c(C)n1-c1ccc(OC(F)F)cc1 5694695 NHYNJQVHXYYROT-LLVKDONJSA-N 409.389 2.478 10 40 HECB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 96562807 CQJALDCXZLANAS-ZHZULCJRSA-N 420.469 2.363 10 40 HECB C[C@H]1CN(c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)C[C@@H](C)O1 643572154 QOWNMLPCTCRUOY-OTWHNJEPSA-N 417.550 2.037 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)c3ccc4nsnc4c3)N3CCOCC3)ccc21 38689145 IASVKBMCHVYHIV-OAQYLSRUSA-N 423.542 2.487 10 40 HECB CCN(C(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 33585286 BFALYPTWVMBETN-GWQWUEFDSA-N 424.569 2.167 10 40 HECB COc1ccc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 33601694 CQDCCZSLTFWUIV-UHFFFAOYSA-N 416.390 2.239 10 40 HECB CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)C(=O)N(C)C1=O 5879197 YRGAHJRJEROFEK-UHFFFAOYSA-N 408.458 2.088 10 40 HECB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl 20450318 SDUBKGDTQVJKCW-UHFFFAOYSA-N 423.922 2.478 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22594397 ONUKICRNEDBYGD-QFIPXVFZSA-N 423.561 2.104 10 40 HECB CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998958 UAGQGZRJMISQQM-QFIPXVFZSA-N 424.545 2.443 10 40 HECB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34883076 KCRNDIIZANMMNY-MTOJCTJASA-N 410.426 2.487 10 40 HECB Cc1cccc(-n2c(C)cc(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)c1 44029728 PMSMXDCEDKGENA-UHFFFAOYSA-N 405.458 2.033 10 40 HECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 72405675 IVANYZOICSYAJH-UHFFFAOYSA-N 410.474 2.368 10 40 HECB CCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)CSC3=S)cc2)s1 585152274 JERBYCHHNWQGBP-UHFFFAOYSA-N 400.532 2.266 10 40 HECB COc1ccc(CC(=O)c2ccc(O)c(CN3CCN(C)CC3)c2O)cc1OC 22854461 XPGHZGAQTYULHK-UHFFFAOYSA-N 400.475 2.288 10 40 HECB biogenic CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 408937344 IXRUQIYJNLGTFE-XNTDXEJSSA-N 410.382 2.459 10 40 HECB COc1ccc(N2CCN(C(=O)Cn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1 3043752 NEEOZGUYUFFDEA-UHFFFAOYSA-N 410.499 2.416 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CCCC2)cc1 4330687 UBQGQUMIVMMIKP-IBGZPJMESA-N 424.501 2.373 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNc1nc2ccccc2[nH]1 5694518 WOJNVXCGSATGEJ-UHFFFAOYSA-N 404.521 2.435 10 40 HECB Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C 33592357 DQFCEQNOFGXXOG-XDHOZWIPSA-N 415.515 2.180 10 40 HECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409069695 XDRIHDWHAIFJKM-HGLKBHAMSA-N 421.431 2.029 10 40 HECB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)O 409218415 VAORSWFQOUWNSX-PTNGSMBKSA-N 410.382 2.215 10 40 HECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccc(C)cc1 4548467 QRJFLGMPEICUFI-UHFFFAOYSA-N 412.467 2.376 10 40 HECB CN(C)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13535685 WOVCGWUVENZKLD-GVIGZQTCSA-N 416.528 2.141 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3c(N)nc(S)nc3O)cc2)s1 17021118 VZTNKKAPOBXKHA-VHEBQXMUSA-N 424.493 2.429 10 40 HECB O=C(O)c1cc2c(cc1NS(=O)(=O)c1cccc3nsnc13)OCCCO2 19079061 SBFNVAAAZPGNAZ-UHFFFAOYSA-N 407.429 2.352 10 40 HECB Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2C)cc1 4829770 DOVBYALCGMCKLB-UHFFFAOYSA-N 405.458 2.033 10 40 HECB CC(=O)N1[C@@H](C(=O)N(CCO)Cc2ccccc2)CS[C@@H]1c1ccccc1O 27118131 UBWFMWJABHLTEZ-WIYYLYMNSA-N 400.500 2.376 10 40 HECB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008673 PLHPLWZVBQRXFD-NRFANRHFSA-N 410.518 2.435 10 40 HECB CCN(CC)CCNN/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 2421678 WFSNOISFCPCPHC-KAMYIIQDSA-N 424.299 2.192 10 40 HECB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCN(C)CC2)C1=O 19618539 KECPQPKNBNAIPH-SSZFMOIBSA-N 405.545 2.061 10 40 HECB O=C(O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33863974 SNMISXJIVCJRPJ-SDQBBNPISA-N 417.761 2.173 10 40 HECB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 4703722 RMXISXSTTUANOJ-GZTJUZNOSA-N 402.366 2.237 10 40 HECB COc1ccc2c3c(n(N4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O 604405297 YQEARBSDJYOSDN-UHFFFAOYSA-N 405.454 2.114 10 40 HECB biogenic CC(=O)N1[C@H](C(=O)N(CCO)Cc2ccccc2)CS[C@@H]1c1ccccc1O 27118134 UBWFMWJABHLTEZ-GHTZIAJQSA-N 400.500 2.376 10 40 HECB Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(S(C)(=O)=O)CC3)c2C)cc1F 96794928 WAVPIRDQIUDTCT-UHFFFAOYSA-N 407.511 2.302 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(N)=O)C2=O)cc1Cl 409224955 OJVXJYAUEQNRRE-RIYZIHGNSA-N 413.817 2.179 10 40 HECB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c1 13008670 PLHPLWZVBQRXFD-OAQYLSRUSA-N 410.518 2.435 10 40 HECB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1cccc(F)c1 40050076 UGRHDTXUIDITQW-UHFFFAOYSA-N 412.377 2.285 10 40 HECB COc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1OC 2389610 JSWZBQDTBRBSIM-WQRHYEAKSA-N 408.483 2.449 10 40 HECB C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 23653477 OUCDQSOYKRLJNP-VGSWGCGISA-N 400.523 2.413 10 40 HECB O=C(O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 107966968 AUHJAUREOACDSF-QPEQYQDCSA-N 417.761 2.173 10 40 HECB CC(C)CNc1cc(N2CCN(CCO)CC2)c(N)c2c1C(=O)c1ccccc1C2=O 20572874 OUNILBZVXSCVEE-UHFFFAOYSA-N 422.529 2.226 10 40 HECB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 409236420 FWOKGMUABOOOAC-QGOAFFKASA-N 423.494 2.363 10 40 HECB COc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 1399410 CHJMKMWKOIAUOC-UHFFFAOYSA-N 418.519 2.300 10 40 HECB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccccc1 20477533 HEHFOPZHMIPVSA-OTWHNJEPSA-N 400.434 2.084 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3OC)nnc2n1 1444427 LDHDHGJQNNUDMF-UHFFFAOYSA-N 402.484 2.122 10 40 HECB COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O 13639159 YRRDDGHGEHWWEL-GDNBJRDFSA-N 422.509 2.496 10 40 HECB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)s1 225709576 QFWUIXJZCUUPTF-GFCCVEGCSA-N 409.537 2.211 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1 409072938 FKZQDMRYZQEPGS-BOPFTXTBSA-N 410.382 2.215 10 40 HECB CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998956 UAGQGZRJMISQQM-JOCHJYFZSA-N 424.545 2.443 10 40 HECB COc1ccc(N(CCC(N)=O)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 12538796 AOBAZGWQDQDHGR-OAHLLOKOSA-N 410.474 2.141 10 40 HECB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ncnc4nc[nH]c34)sc2n1 23077161 ZVQDXOXSSOZIPS-VIFPVBQESA-N 411.447 2.346 10 40 HECB CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 20356354 DTUVEXMNUFGHBW-SAPNQHFASA-N 419.572 2.451 10 40 HECB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O)N1CCOCC1 2350977 BONKGPCCRCASDE-SFQUDFHCSA-N 419.478 2.321 10 40 HECB N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 41084478 LTSNIYCIOPCNLU-CFIXHINXSA-N 420.292 2.358 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 4738523 LTBAXSPEQCPEGO-LICLKQGHSA-N 402.410 2.101 10 40 HECB CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 7654485 QBKMWMHQCAESQF-UHFFFAOYSA-N 402.520 2.172 10 40 HECB NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 21345457 HTYADBLKMQKAFG-GDNBJRDFSA-N 413.480 2.097 10 40 HECB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 6333400 BWALXUPAFQBRSD-XSFVSMFZSA-N 420.469 2.363 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\[C@@H]3SC(=S)NC3=O)cc2)s1 104123437 IWBXWZSIKAASOK-JRELAMLQSA-N 414.519 2.205 10 40 HECB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)NC(C)C 113946288 QZSXZVFDAJHNKC-UHFFFAOYSA-N 405.520 2.378 10 40 HECB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)c([N+](=O)[O-])c1 408527994 DTXPOLXIQHLYSU-ZRDIBKRKSA-N 412.358 2.191 10 40 HECB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)ccc21 409180347 WPKPOQZPUJDETR-LFIBNONCSA-N 424.507 2.423 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nn3c(C)nc4ccccc4c3=O)C2=O)c(C)c1 408533718 OWHZFKZDEVEQRT-LFIBNONCSA-N 417.425 2.032 10 40 HECB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3O)C2=O)cc1 408881795 OOLVORRJMUMNAR-MHWRWJLKSA-N 410.382 2.244 10 40 HECB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c(C)c1 409252561 TYNWEFXEWBCNMX-UHFFFAOYSA-N 409.467 2.235 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 33542281 CKMVBGHPRBRUHJ-ADVGAGMGSA-N 422.553 2.095 10 40 HECB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)sc(C)c1C 409195406 PQHGRSRTFPUXTA-UHFFFAOYSA-N 401.444 2.308 10 40 HECB CCN1CCCc2cc(CNC(=O)Cn3nc(OC)c4ccccc4c3=O)ccc21 19527299 LJQFOTSYPQPZPV-UHFFFAOYSA-N 406.486 2.494 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\[C@H]3SC(=S)NC3=O)cc2)s1 104123430 IWBXWZSIKAASOK-GLTXTHCDSA-N 414.519 2.205 10 40 HECB CCOc1ccc(NC(=O)[C@H](/N=N\c2ccc(S(N)(=O)=O)cc2)C(C)=O)cc1 104123610 HCSHEVGLVYXIJU-KTVWJZFRSA-N 404.448 2.413 10 40 HECB Cc1c(N/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 102882946 QZQXPZOXGBADOG-WJDWOHSUSA-N 421.413 2.492 10 40 HECB O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N1 13301019 JKAIVAKCZLFVAK-UHFFFAOYSA-N 416.393 2.060 10 40 HECB COCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC1=S 100788754 XGUVUTIUBUSHIS-FUELTZPDSA-N 405.545 2.006 10 40 HECB biogenic COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCc3c[nH]cn3)C2=O)cc1 5208259 QIIQPHGNEQPNMM-YBEGLDIGSA-N 416.528 2.369 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/[C@@H]3SC(=S)NC3=O)cc2)s1 104123442 IWBXWZSIKAASOK-ZAUPALIDSA-N 414.519 2.205 10 40 HECB COCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)C(=O)N(c2ccccc2)C1=O 409011501 GTBYUUVJHGGUEV-YBEGLDIGSA-N 424.409 2.449 10 40 HECB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 19497576 XPJYWTMQOKJMAW-BETUJISGSA-N 404.898 2.301 10 40 HECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 409394079 VHIPKUJPDKYMEU-SFQUDFHCSA-N 403.354 2.447 10 40 HECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 1192007 ASHOXUKPNKBZID-HMMYKYKNSA-N 421.453 2.161 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)COc3ccc(F)cc3)N3CCOCC3)ccc21 22733563 RJZPEJVRZUNCMN-JOCHJYFZSA-N 413.493 2.387 10 40 HECB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963880 FUGVHMFBRUPIJD-OAQYLSRUSA-N 410.518 2.435 10 40 HECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NCc1noc(-c2ccccc2)n1 20622847 PUYPCCUPMPKJMO-GHRIWEEISA-N 417.425 2.031 10 40 HECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408731302 LQLHXSHPASTAJU-UHFFFAOYSA-N 411.370 2.322 10 40 HECB O=C(COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1)Nc1ccccc1Cl 409261042 AJUTVBIRAHVVBE-UHFFFAOYSA-N 415.858 2.272 10 40 HECB CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13647677 FPTGPJHRGBVJCM-JYVXZMADSA-N 404.517 2.017 10 40 HECB O=C1c2ccccc2C(=O)[C@]23O[C@@]12[C@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 104316085 DPEPLNNDWXFYPW-IPGHSNRCSA-N 414.369 2.036 10 40 HECB O=C1c2ccccc2C(=O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 5822887 DPEPLNNDWXFYPW-IDINPZAYSA-N 414.369 2.036 10 40 HECB O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1 8742364 RTHMLNZCPJOROH-AUWJEWJLSA-N 410.338 2.385 10 40 HECB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 19079014 ABCURTGRGQOZGC-LBPRGKRZSA-N 418.500 2.401 10 40 HECB COc1ccc(N(C)CCC(=O)N2CCO[C@H](c3ccc4c(N)ncnc4n3)C2)cc1 19704789 VOQMEODYUMWMNJ-IBGZPJMESA-N 422.489 2.042 10 40 HECB CCOC(=O)COc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OC 409212288 PLWYGRCZAOKAOM-UHFFFAOYSA-N 420.487 2.016 10 40 HECB CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCN(C)CC3)=C(C)Nc3ncnn32)cc1 54672238 YMOITWHWEKWGAG-HXUWFJFHSA-N 409.538 2.187 10 40 HECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N(C)C)ccc21 13008579 XILJCDUVONMSCI-LJQANCHMSA-N 424.501 2.155 10 40 HECB CC(=O)[C@@]1(/N=N/c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O 43366212 VOUJPBIIZGLQJV-SPGGGKMGSA-N 406.420 2.451 10 40 HECB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(N)=O 107699595 SLWMMZBMPJBMCS-PDGQHHTCSA-N 421.453 2.139 10 40 HECB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)o1 409394343 ZFIGUSXQLCKUAP-OQLLNIDSSA-N 423.450 2.326 10 40 HECB CCOc1ccc(NC(=O)[C@@H](/N=N/c2ccc(S(N)(=O)=O)cc2)C(C)=O)cc1 104123621 HCSHEVGLVYXIJU-SIUCFOQUSA-N 404.448 2.413 10 40 HECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccccc1F 409370107 LDEJRKHNIHOBNP-UHFFFAOYSA-N 417.780 2.246 10 40 HECB C[C@H]1CN(c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)C[C@H](C)O1 643572150 QOWNMLPCTCRUOY-FHWLQOOXSA-N 417.550 2.037 10 40 HECB CCCCOC(=O)c1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1 9423030 BZKMUWLVGBEPSG-YPOUMIDOSA-N 419.503 2.345 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(=O)n(Cc4cccc(F)c4)n3)CC2)cc1 11781348 DAPSHFZJQYJNMS-UHFFFAOYSA-N 422.460 2.402 10 40 HECB Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589467 KMJAGRQLPUQXDG-JOCHJYFZSA-N 416.591 2.328 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 35104476 KKEZEXFJJWWTRS-UHFFFAOYSA-N 416.390 2.483 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nn3c(C)nc4ccccc4c3=O)C2=O)cc1C 408535947 UUMMTCRYBWFCAB-GZTJUZNOSA-N 417.425 2.032 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998892 QMPMTKFZELTQNR-OAQYLSRUSA-N 410.518 2.189 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1O 409391092 HAKQDTOAUQHVKQ-IZZDOVSWSA-N 418.203 2.225 10 40 HECB COc1ccc(N2CCN(C(=O)CN3CCC[C@H](Cn4ccnc4C)C3)CC2)cc1 19658099 YODOCWGYUUOWMV-FQEVSTJZSA-N 411.550 2.261 10 40 HECB CCOC(=O)c1ccc(OCC(=O)c2ccc(O)c(CN3CCOCC3)c2O)cc1 23135367 LHONXSAVJJUOMG-UHFFFAOYSA-N 415.442 2.368 10 40 HECB biogenic COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCC(=O)O)C2=O)cc1 33307068 QTDYQDWNSZEXCV-GDNBJRDFSA-N 424.365 2.443 10 40 HECB Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1C 409260104 KTFJMQDVUSFGKZ-UHFFFAOYSA-N 409.467 2.235 10 40 HECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 5149704 CWFWMADDZJOMPV-LFTLCWSBSA-N 411.457 2.223 10 40 HECB CN(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1 11859300 LISUYWICDWWBQD-HDMKZQKVSA-N 408.380 2.252 10 40 HECB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 101362352 CRTSQBBSMOPCIM-PDGQHHTCSA-N 410.405 2.401 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998831 JQLSYQOVWAIHHJ-NRFANRHFSA-N 410.518 2.189 10 40 HECB O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 8338634 HYYODSUCMLWLQO-UHFFFAOYSA-N 408.451 2.157 10 40 HECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cc3cnn(-c4ccccc4)c3)cc2)C1 40156927 FMWUAEVIBJOQDZ-FQEVSTJZSA-N 417.513 2.433 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1c[nH]cn1 5208986 JTPCAHYGVWLYDN-DHDCSXOGSA-N 404.492 2.499 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1OC 5371439 UJIARYBCAFWYMQ-LCYFTJDESA-N 403.503 2.183 10 40 HECB C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 966818 PENCVLQJAJOEOA-QLKNVKLRSA-N 413.274 2.446 10 40 HECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1c[nH]cn1 18129639 CHQYABRKEOPDKI-LDADJPATSA-N 424.486 2.391 10 40 HECB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NN2CCOCC2)C1=O 27530474 FBVUOWBJVFRRRI-MHMBTURYSA-N 403.529 2.198 10 40 HECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S 5373891 UJFZLUAKCSHTPG-CFYVXFRNSA-N 406.235 2.171 10 40 HECB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963989 SODWMWBHRKXGAW-FQEVSTJZSA-N 410.518 2.435 10 40 HECB COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc(Br)c1O 23249358 IUBITIPGGOEYSA-LCYFTJDESA-N 412.309 2.381 10 40 HECB CC[C@@H](C)N(C(=O)COC(=O)c1ccccc1/N=N/N(C)C)[C@H]1CCS(=O)(=O)C1 6052082 CAQKIAUPCAWNSQ-VITQKDSISA-N 424.523 2.218 10 40 HECB COc1cc(OC)c(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 13654313 ZNNXWBTUWVXUAA-SERMCNLOSA-N 413.883 2.058 10 40 HECB Cc1[nH]c2ncnn2c(=O)c1CC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 36752399 AUMUXKNIURLNNL-OAHLLOKOSA-N 408.506 2.382 10 40 HECB COc1ccccc1N1C(=O)C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 102340001 NGDDLNXSYOVGCR-FQEVSTJZSA-N 409.486 2.296 10 40 HECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(N)=O)c3)C2=O)cc1Cl 409221912 BOBRUPUMXKLRNO-NVNXTCNLSA-N 413.817 2.179 10 40 HECB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NN1CCOCC1 5376096 CJAXGWDCZHQECI-QSJINSDNSA-N 403.529 2.198 10 40 HECB CN1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22664968 HUQGMPZVOQYHTC-NRFANRHFSA-N 411.506 2.379 10 40 HECB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 103849077 DPSNMXHESXXLHI-PCJMVEANSA-N 406.373 2.374 10 40 HECB CC(C)[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 13115726 WNJRJDCMWAWMBB-OKZBNKHCSA-N 406.413 2.377 10 40 HECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361139 ZGZXQTLOJUWEAG-YFBAIUBQSA-N 403.441 2.149 10 40 HECB CN1C(=O)C(=Cc2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)N(C)C1=S 59087214 KTQFGVGMOHTCNA-UHFFFAOYSA-N 424.526 2.299 10 40 HECB COc1ccc(NC2=N[C@H](c3ccc(O)c(O)c3)n3c(nc(C)cc3=O)N2)c(OC)c1 104279905 BQISFGXGDZUDTA-IBGZPJMESA-N 423.429 2.421 10 40 HECB COc1ccc(N2C(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C(=O)N=C2O)cc1 8994347 HETXIURXTGWMII-ZSFFSCSXSA-N 421.457 2.493 10 40 HECB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 12554923 JYIRNQJRZJOQCI-UHFFFAOYSA-N 421.475 2.261 10 40 HECB Cc1c([C@@H]2CC(c3ccc(O)cc3)=NN2c2ccc(S(N)(=O)=O)cc2)cnn1C 227173465 AJXNYOMFLRPVLR-FQEVSTJZSA-N 411.487 2.437 10 40 HECB CN1C(=O)C(=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C(=O)N(C)C1=O 7062671 GEUGJASSUGUKSI-UHFFFAOYSA-N 401.426 2.427 10 40 HECB O=C1N[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 16790412 NJGREJILWMBXGP-ZOWXZIJZSA-N 402.350 2.263 10 40 HECB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(OC)nn4)CC3)CC2)cc1 95478017 JAPALZDMULRBAI-UHFFFAOYSA-N 411.506 2.059 10 40 HECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1 409211350 MZFXCXKGIXWJEN-XYOKQWHBSA-N 419.187 2.495 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCC3)ccc21 8964027 NPWVBUOHQYESHF-JOCHJYFZSA-N 406.530 2.248 10 40 HECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408780642 GXJRLSOMZOSWPA-WQRHYEAKSA-N 410.426 2.277 10 40 HECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963873 BEBYOEDSPLENBS-FQEVSTJZSA-N 410.518 2.354 10 40 HECB C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 23653472 OUCDQSOYKRLJNP-VGOFRKELSA-N 400.523 2.413 10 40 HECB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(c4ccc(OC)cc4)C3)ccc2c1=O 1538747688 UJAWXTKDKWDNFX-HNNXBMFYSA-N 408.458 2.139 10 40 HECB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340530 XRDVCVKHPZTKEY-HXUWFJFHSA-N 411.506 2.069 10 40 HECB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Br)ccc1O 45822091 RZLZFRGDODQILZ-KRWDZBQOSA-N 404.264 2.492 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2n1 16689853 NVCUHLFOQYVMDL-UHFFFAOYSA-N 402.440 2.266 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)CN2CCN(Cc3ccccc3)CC2)N(C)C)cc1 61997233 NPUOXXAGEFKBFZ-XMMPIXPASA-N 423.605 2.289 10 40 HECB COC(=O)c1cccc(N/C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)c1 2372967 LLBAEHCGAHMPQL-MHWRWJLKSA-N 413.430 2.352 10 40 HECB COc1ccc(OC)c(COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2OC)c1 408992266 SRAWRFSYAJFZTC-UHFFFAOYSA-N 412.398 2.041 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)O 408775025 FGCYLRVGAZHYAL-CXUHLZMHSA-N 424.409 2.442 10 40 HECB COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 6814326 TVSADECZMTXLQV-KRWDZBQOSA-N 417.531 2.019 10 40 HECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 100190985 CHQYABRKEOPDKI-PDGQHHTCSA-N 424.486 2.391 10 40 HECB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N2CCOCC2)SC1=S 618255151 PKSSSHYPVRDHBS-WSTOHFRZSA-N 406.529 2.195 10 40 HECB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C(=N)N21 4905475 YQSRYUZEHNCFQM-PYDVBCTCSA-N 419.532 2.400 10 40 HECB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N(C)C 9135439 YMDSHPQSKKMXIU-FQEVSTJZSA-N 410.518 2.435 10 40 HECB COc1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(N)n3)CC2)cc1 49401505 CYAAJMHFBYYBDP-UHFFFAOYSA-N 418.501 2.324 10 40 HECB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(N2CCOCC2)cc1 219136861 QXPLAJQLSGBUMU-UHFFFAOYSA-N 407.470 2.216 10 40 HECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(C)c([N+](=O)[O-])c1 5815000 NKQKMOYSIUJQEH-SXGWCWSVSA-N 400.416 2.357 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C/NN3CCCC[C@H]3c3cccnc3)C2=O)c1 19939303 REFQSLAAQCHPOU-BSKAQADGSA-N 421.457 2.289 10 40 HECB COc1cc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc([N+](=O)[O-])c1O 34924587 MFVAQJYKAYEZTG-SDQBBNPISA-N 412.445 2.462 10 40 HECB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409010596 CLVCSURNCWDANM-GZTJUZNOSA-N 416.455 2.061 10 40 HECB Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1 19661725 ABDVGSBPOLEXGH-QGZVFWFLSA-N 406.490 2.363 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCc3ccc4c(c3)OCO4)C2=O)cc1 5791117 GJWUQSPNIHSHAW-WJDWOHSUSA-N 409.398 2.071 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCN1C(=O)c2ccccc2C1=O 10906802 FDEMZVLLDVWWIL-UHFFFAOYSA-N 407.470 2.168 10 40 HECB CCCN(CCC)S(=O)(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 40086215 FIFZMRTZSVTPDF-UHFFFAOYSA-N 412.600 2.164 10 40 HECB CCOC(=O)[C@@H]1[C@H](c2ccc(N(CC)CC)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 4140112 YRRUSJWDSVYMCO-ZQIUZPCESA-N 419.469 2.482 10 40 HECB CC(C)[C@@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 4313127 WNJRJDCMWAWMBB-SQNIBIBYSA-N 406.413 2.377 10 40 HECB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963879 FUGVHMFBRUPIJD-NRFANRHFSA-N 410.518 2.435 10 40 HECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 408856702 QVTWOBVLBZSGPW-GZTJUZNOSA-N 412.373 2.434 10 40 HECB COCCn1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 409200786 IZEIUJWBKRIJJC-WOJGMQOQSA-N 414.437 2.422 10 40 HECB CN1CCN(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 2244397 SMAWYNWNLMBETP-QINSGFPZSA-N 424.979 2.210 10 40 HECB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5340519 AKVYSYWGAVIAFO-FQEVSTJZSA-N 411.506 2.069 10 40 HECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1C 1010967 LVLBRUZJUULWQN-UHFFFAOYSA-N 409.467 2.235 10 40 HECB O=C(O)CN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S 3043975 MZNNIRYXKMEDBC-WTDSWWLTSA-N 402.247 2.464 10 40 HECB COc1cccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1OC 13758131 HQFKWXGICVXXDA-BKLZJWBFSA-N 411.457 2.223 10 40 HECB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998908 YPQNBTRTILWBND-QFIPXVFZSA-N 424.545 2.498 10 40 HECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008528 KUDVPYKPYBVWAZ-NRFANRHFSA-N 410.518 2.435 10 40 HECB COC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 34705776 WTAPOWGLYUTLCC-DHDCSXOGSA-N 416.817 2.362 10 40 HECB Cc1ccc(CN2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)c(O)c1 72399004 JZSLADRQXGRMRT-UHFFFAOYSA-N 422.529 2.458 10 40 HECB CN1CCN([C@H](CNS(=O)(=O)c2cccs2)c2ccc3c(c2)CCN3C)CC1 22735779 AHBQBYKYGSGHCB-LJQANCHMSA-N 420.604 2.007 10 40 HECB COc1ccc(N(C)CCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224394903 KITZAKKELMHULE-UHFFFAOYSA-N 417.531 2.491 10 40 HECB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1OC 409195778 VYKKEOBZUOVDCJ-GXDHUFHOSA-N 412.423 2.233 10 40 HECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1 101481731 JSZHAWDKSBCZRD-ZBQKXELDSA-N 403.382 2.286 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O 408953332 PVLYSBPBJGBYPD-NYYWCZLTSA-N 416.773 2.449 10 40 HECB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)C(=O)N1 910324 DOONVZWUPMVBTM-UHFFFAOYSA-N 415.199 2.418 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1 5098136 QSGWBRQBNBUVDM-OAQYLSRUSA-N 420.513 2.302 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)cc1 8027157 KLYQNDQKVAYFNN-UHFFFAOYSA-N 404.470 2.263 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 408534843 RLXOWSXEPJEDQU-GXDHUFHOSA-N 412.358 2.278 10 40 HECB COc1ccc(N2CCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)cc1 10112885 OGVHAGAVJILGIY-UHFFFAOYSA-N 403.504 2.338 10 40 HECB CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 19936830 ICKCAMJQIJBNRV-UHFFFAOYSA-N 417.487 2.134 10 40 HECB COc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004024 KOTRXFZPHWWHNQ-UHFFFAOYSA-N 418.446 2.460 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 22998896 YLFFTFAPPXDSQQ-JOCHJYFZSA-N 424.545 2.498 10 40 HECB Cc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(=O)n2c([nH]c3ccccc32)c1C#N 104709795 UELYJAVSKLSHPS-LFIBNONCSA-N 409.405 2.422 10 40 HECB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 13899586 LWMLMAIPFFTIOA-YVLHZVERSA-N 416.455 2.027 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)OC 33390110 MCKVSDWPYHMRSO-MTOJCTJASA-N 410.426 2.487 10 40 HECB CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 4092879 CAPMGBJOKQSPKQ-XHOYROJHSA-N 421.497 2.087 10 40 HECB O=C(O)CCN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 9494459 CJSIAZNEOJCHLA-VHHYUNCXSA-N 416.480 2.046 10 40 HECB COc1ccccc1N1C(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C(=O)NC1=S 13809756 LRBHBXAMFWMUGA-RVDMUPIBSA-N 410.455 2.397 10 40 HECB CC/C(NCCOC)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 19894243 NMYDASOJZPTMET-SFQUDFHCSA-N 402.476 2.462 10 40 HECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 408950361 JLKLROZLIPNVDM-QDEBKDIKSA-N 414.757 2.464 10 40 HECB COc1cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 219830457 PTVOSKWDPBINNG-UHFFFAOYSA-N 414.462 2.050 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc([N+](=O)[O-])c1O 408851452 ZOBMGEBCLHINMC-NTUHNPAUSA-N 413.342 2.071 10 40 HECB CN(C)c1ccc(CN2CC[C@]3(COCc4c3n[nH]c4C(=O)NC3CCC3)C2)cc1 306144003 YTCHYLMTNYZYTK-HSZRJFAPSA-N 409.534 2.432 10 40 HECB COc1ccc2c3c(n(NC(=O)CCCO)c(=O)c2c1OC)-c1ccccc1C3=O 604404839 HCARTLFUCZDOFY-UHFFFAOYSA-N 408.410 2.073 10 40 HECB biogenic CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340529 XRDVCVKHPZTKEY-FQEVSTJZSA-N 411.506 2.069 10 40 HECB CN1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4O)CC3)cs2)CC1 225471976 ZHLRMWBIHYESCP-UHFFFAOYSA-N 402.564 2.080 10 40 HECB biogenic,in-vitro CN1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2ccc3c(c2)CCN3C)CC1 22735776 AHBQBYKYGSGHCB-IBGZPJMESA-N 420.604 2.007 10 40 HECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(F)cc1 409093660 AYOAGLULRJHRFW-UYRXBGFRSA-N 424.432 2.194 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cccs2)N2CCCC2)cc1 5340780 RFWGGEAYWJJBRW-LJQANCHMSA-N 400.548 2.384 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 13632943 ZWSSSWPQVDWHHQ-UHFFFAOYSA-N 422.419 2.023 10 40 HECB O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)c(O)c2)NC(=S)N[C@]1(O)C(F)(F)F 57531384 NPWJRDXXBDLFEB-SLEUVZQESA-N 418.418 2.428 10 40 HECB COCCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC1=S 217527272 XGUVUTIUBUSHIS-XKSMIVTLSA-N 405.545 2.006 10 40 HECB NC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 9970977 IZUKUOOETWVPFQ-CXUHLZMHSA-N 422.828 2.446 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/[C@H]3SC(=S)NC3=O)cc2)s1 104123433 IWBXWZSIKAASOK-OGNJIVFWSA-N 414.519 2.205 10 40 HECB CCOC(Cn1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1)OCC 69923824 MOAUKSWHZAJBOF-INIZCTEOSA-N 417.510 2.005 10 40 HECB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1Cc1ccccc1 222362237 HEHFOPZHMIPVSA-IPMKNSEASA-N 400.434 2.084 10 40 HECB O=C(O)CCN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 1796993 CJSIAZNEOJCHLA-AUKFAXFOSA-N 416.480 2.046 10 40 HECB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 3453247 NLBPRLBVLILXQC-UHFFFAOYSA-N 402.501 2.405 10 40 HECB CCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1OC 13553091 IKEUZJIPUJOEAW-QVASGMJFSA-N 411.457 2.223 10 40 HECB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H]1CSC[C@H]1O 54361058 APKAKVBNXUCFRT-HBMOZRESSA-N 412.533 2.010 10 40 HECB CN(C)c1ccc([C@@H](CNS(C)(=O)=O)N2CCN(c3ccc(F)cc3)CC2)cc1 22666351 KNBYVFILGYKEIF-OAQYLSRUSA-N 420.554 2.304 10 40 HECB COc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 23135242 TZGVDXVXJPJUBA-UHFFFAOYSA-N 411.441 2.160 10 40 HECB COc1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@H](C)C4)nc3C2)c(O)c1 72347278 ZMGTZXYOUKQASA-OKILXGFUSA-N 400.479 2.068 10 40 HECB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCO)c4ccccc34)[C@@H]21 1565524949 STAJBHHHQQYVCU-HSZRJFAPSA-N 418.497 2.287 10 40 HECB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCOCC2)c1O 21865899 QQXLLEOFNCKCDF-INIZCTEOSA-N 401.488 2.472 10 40 HECB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 216944237 DBRGDXZZBQSFMC-UHFFFAOYSA-N 416.547 2.048 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 4173468 GGQCMOHQXLXJQW-VQTJNVASSA-N 406.504 2.148 10 40 HECB CCOC(=O)[C@H]1[C@H](c2ccc(N(CC)CC)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 946531 YRRUSJWDSVYMCO-KEYYUXOJSA-N 419.469 2.482 10 40 HECB CSCC[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374858 NTUDLEKDOZQKCL-FNWMBBJUSA-N 410.542 2.210 10 40 HECB COc1cc(OC)c(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 102480595 ZNNXWBTUWVXUAA-LCFDYFRESA-N 413.883 2.058 10 40 HECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13689833 BPGMNBSEEWUCRM-ALFJJAPYSA-N 403.441 2.149 10 40 HECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 409007886 RHOZVYMUKNYUFH-UHFFFAOYSA-N 407.426 2.446 10 40 HECB COc1ccc(N2CCN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)CC2)cc1 637900 XFHFCQKIQPZZNX-UHFFFAOYSA-N 417.531 2.118 10 40 HECB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1O 8663700 CMQREXITLAMMOC-BJMVGYQFSA-N 418.212 2.112 10 40 HECB O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10912848 BNESRQRJIMUXMW-JOCHJYFZSA-N 401.422 2.301 10 40 HECB O=C(O)CSc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 19152627 WFEHMDGBQFNSCU-ZSOIEALJSA-N 401.400 2.031 10 40 HECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833683 WJESZNYCBOGIPQ-UHFFFAOYSA-N 411.370 2.322 10 40 HECB COc1ccc(N(CCC(N)=O)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 12538794 AOBAZGWQDQDHGR-HNNXBMFYSA-N 410.474 2.141 10 40 HECB O=C(O)CC1(CN/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)CCCCC1 20592045 IDDWIRQGLDLJAK-QINSGFPZSA-N 401.488 2.333 10 40 HECB CCOC(=O)[C@@H]1[C@@H](c2c(O)ccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 57531344 DJMMCNRANUGDIQ-JJRVBVJISA-N 414.405 2.494 10 40 HECB C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 4580757 CXSBRJVTNIVWIT-ULMVMLMRSA-N 400.818 2.339 10 40 HECB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 21042758 JFSITQYAUFINEL-NRFANRHFSA-N 420.554 2.159 10 40 HECB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OCC)c1C 40476940 QGCLLCOULGEJMA-UHFFFAOYSA-N 423.516 2.433 10 40 HECB CCN(CCC(=O)N1CC[C@@H](c2ncc(C(N)=O)c(C)n2)C1)c1ccc(OC)cc1 19758212 MGWSJYJAGNFOEE-MRXNPFEDSA-N 411.506 2.125 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C2=O)cc1 4815225 PRMNWWHVGQVFBL-WJDWOHSUSA-N 412.398 2.387 10 40 HECB O=C1c2ccccc2C(=O)c2c1cccc2N1C(=S)S[C@H]2CS(=O)(=O)C[C@H]21 12139581 WIXFDMHBYIZRIP-CABCVRRESA-N 415.517 2.466 10 40 HECB NC(=O)C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1 96943339 ROVOGLLSOCSFCI-PTNGSMBKSA-N 421.519 2.141 10 40 HECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409094769 GBOBIXNRDJRHIU-DTQAZKPQSA-N 411.458 2.494 10 40 HECB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)ccc1O 20207023 NNGVRLYOBSMEHF-IQANBRSTSA-N 422.488 2.048 10 40 HECB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409212266 OKIBTWAHJZCLHW-ATVHPVEESA-N 403.504 2.394 10 40 HECB Cc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C 104177691 ZAQVZMOTWPKVMD-SCWNGEISSA-N 404.423 2.114 10 40 HECB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCCCO4)cc2)C1 55916713 KKUYVBZGPWAVHE-GOSISDBHSA-N 409.486 2.480 10 40 HECB O=C1N[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 2701377 NJGREJILWMBXGP-YWPYICTPSA-N 402.350 2.263 10 40 HECB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCC1 113941541 TWLQYZVXEOVKPT-UHFFFAOYSA-N 417.531 2.476 10 40 HECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NN1CCCC[C@@H]1c1cccnc1 2314441 UCKILGJSJQZBJF-UWXVCKHVSA-N 407.499 2.445 10 40 HECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Br)cc2)C[C@H]1C(=O)O 256027990 NALMVINCPXBQHC-OYUORYAFSA-N 412.290 2.301 10 40 HECB Cc1cnc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 5886045 BZSHAEHTBORYHN-UHFFFAOYSA-N 401.378 2.356 10 40 HECB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NCCCn1ccnc1 19997124 GRSMEXVIWQNJOZ-GXDHUFHOSA-N 423.420 2.213 10 40 HECB COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O 20441462 KFDADJUHSLOUJC-UHFFFAOYSA-N 410.470 2.284 10 40 HECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(C)c3O)C2=O)cc1 37613787 QMNCAPXYICOGMX-YBEGLDIGSA-N 411.370 2.247 10 40 HECB CC(=O)[C@@]1(/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O 43910750 SEQHLNPJWFZWSM-WATITHJCSA-N 409.449 2.006 10 40 HECB CCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)s1 56997534 KLNUZIYTUZOINZ-UHFFFAOYSA-N 409.577 2.420 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N(C)C)cc1 5340201 RVTYWTFRACWUEI-LJQANCHMSA-N 402.926 2.441 10 40 HECB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)C(=O)NC2=S)c(OC)c1 409101960 ZQPZCWDNBLLPIZ-MDWZMJQESA-N 414.439 2.249 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)cc1O 409240769 HUCVQHQWCHAVDP-VZUCSPMQSA-N 418.203 2.225 10 40 HECB CN(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 4164031 NLZVLHRYJVBLMD-IBGZPJMESA-N 417.487 2.490 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 20458605 HILMQWOMQKRZRD-UHFFFAOYSA-N 415.515 2.333 10 40 HECB CC1(C)OC(=O)C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)O1 10121083 HIFSFGLBKQAYCU-UHFFFAOYSA-N 409.445 2.076 10 40 HECB CN(C)c1ccc([C@H](CNS(C)(=O)=O)N2CCN(c3ccc(F)cc3)CC2)cc1 22666356 KNBYVFILGYKEIF-NRFANRHFSA-N 420.554 2.304 10 40 HECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)O 34718534 XWYHJNMFPIXUBR-ZENNRRHLSA-N 412.398 2.017 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1 96321910 FVOHBSLOGCVSMX-UHFFFAOYSA-N 419.528 2.120 10 40 HECB Cc1cccc(Nc2cc3c(n[n+]([O-])n3CCO)c3c2C(=O)c2ccccc2C3=O)c1 12462843 BFOSBIZOPQDRHR-UHFFFAOYSA-N 414.421 2.489 10 40 HECB O=C(O)CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S 409097500 ITCJEGQPWVZWGW-GXDHUFHOSA-N 423.472 2.107 10 40 HECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)o1 408949607 IMWZLNHAHIDOMZ-UXBLZVDNSA-N 405.160 2.437 10 40 HECB C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 966816 PENCVLQJAJOEOA-LJNWBWRRSA-N 413.274 2.446 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCCC2)cc1 5340705 ZMPOBEQHWGLRJW-OAQYLSRUSA-N 412.509 2.461 10 40 HECB CC[C@H](C)N(C(=O)COC(=O)c1ccccc1/N=N/N(C)C)[C@H]1CCS(=O)(=O)C1 6052084 CAQKIAUPCAWNSQ-YKRJHPGPSA-N 424.523 2.218 10 40 HECB CCCCN1C(=O)/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC1=S 6068454 CYJRZGCTNFYLJF-WYMLVPIESA-N 418.544 2.490 10 40 HECB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)s1 22735731 CXCBSAJELLNHOB-IBGZPJMESA-N 421.588 2.401 10 40 HECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CCCCC3)ccc21 9138151 HMDYVHAUDLORGD-LJQANCHMSA-N 411.506 2.339 10 40 HECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2F)N2CCOCC2)cc1 22665969 YNDLRFZDLSPAOB-IBGZPJMESA-N 407.511 2.244 10 40 HECB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 409238751 FMISLLTWPXQLBT-GZTJUZNOSA-N 402.476 2.044 10 40 HECB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1C 980549 NLPJDHBFXMSZRR-MHWRWJLKSA-N 411.483 2.446 10 40 HECB CCC[C@H]1N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2C(C)=C1C(=O)OCC 107705881 HLJMLYRAUIVHBW-GFWHJHDHSA-N 413.543 2.401 10 40 HECB CCc1c2c(cc(=O)n1Cc1ccccn1)N[N@@H+](c1nc3ccccc3s1)C2=O 669638590 SIXSWBRHHWBRRQ-UHFFFAOYSA-O 404.475 2.161 10 40 HECB COc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc(OC)c1OC 41084972 IYIGJPOWSJONJI-JLZHIMPBSA-N 415.475 2.385 10 40 HECB CSCC[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O 4942295 VQQPDFLILDZGGL-OQZOHAQUSA-N 410.542 2.454 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 5570578 JJZNPGDNDXOOLH-UHFFFAOYSA-N 411.483 2.479 10 40 HECB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2cc(O)c(O)c(Cl)c2)N1)OCCCO4 12506243 KGKIWMBOHOKQJW-INIZCTEOSA-N 401.810 2.359 10 40 HECB COc1ccc(N2CCN(C(=O)c3cccc(N(C)S(C)(=O)=O)c3C)CC2)cc1 222430922 YNDRURZPZFDKIZ-UHFFFAOYSA-N 417.531 2.362 10 40 HECB COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1C 224695321 AHQNEDQMRIZTAC-UHFFFAOYSA-N 404.488 2.301 10 40 HECB CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 44005875 BOHDIGKFXKOIDT-UHFFFAOYSA-N 403.504 2.419 10 40 HECB COc1ccc(N2CCN(C(=O)CN3C(=O)CC4(CCCCC4)CC3=O)CC2)cc1 78729556 AHPJOQBGLJWEBK-UHFFFAOYSA-N 413.518 2.443 10 40 HECB COC(=O)COC(=O)c1cc(Br)c2c(c1N)C(=O)c1ccccc1C2=O 12522966 GPJWBEKQSJGXKA-UHFFFAOYSA-N 418.199 2.137 10 40 HECB NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 15013138 KMJFZFYARWICFQ-DHDCSXOGSA-N 415.858 2.035 10 40 HECB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c1 22733727 WVMCIJYFOLLZLY-QHCPKHFHSA-N 408.546 2.406 10 40 HECB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 216941467 VARPVRGOYGGZGE-UHFFFAOYSA-N 404.492 2.134 10 40 HECB COc1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9338816 LPURHRFBEJQKRY-INIZCTEOSA-N 411.439 2.425 10 40 HECB O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1ccc(Br)s1 20289632 OFFLFNALUULPFX-PKNBQFBNSA-N 402.339 2.091 10 40 HECB COCCCN1C(=O)/C(=C\Nc2cc(C(=O)OC)ccc2C(=O)OC)SC1=S 101474396 WFIYRUFTNRHDJL-GXDHUFHOSA-N 424.500 2.410 10 40 HECB COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 36447028 BFXROYMPFACEJG-UHFFFAOYSA-N 414.531 2.105 10 40 HECB CCOC(=O)[C@@H]1[C@H](c2c(O)ccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 106213735 DJMMCNRANUGDIQ-ZQIUZPCESA-N 414.405 2.494 10 40 HECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OC 408936501 KPIUPWJZHGCTSV-XNTDXEJSSA-N 410.382 2.459 10 40 HECB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1 6589590 HLXYQODKGBIRBE-UHFFFAOYSA-N 411.458 2.459 10 40 HECB O=C1c2ccccc2C(=O)[C@]23O[C@]12[C@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 8665826 DPEPLNNDWXFYPW-OPHUTGBKSA-N 414.369 2.036 10 40 HECB COc1ccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC 32956484 YUKXPJOBIURYDR-UHFFFAOYSA-N 413.474 2.390 10 40 HECB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(N(C)C)cc4)sc3nc2=O)cc1 26779454 NAZPGHZQHOMMDU-CPNJWEJPSA-N 404.495 2.024 10 40 HECB CCOc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)ccc1O 12576902 SNEHKDPIYGHALF-AAIQCTMTSA-N 411.457 2.310 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 16134863 AWFFCENEKPTIMN-UHFFFAOYSA-N 402.516 2.340 10 40 HECB CCN(CC)c1ccc([C@H]2C(C(=O)N3CCN(C)CC3)=C(C)Nc3ncnn32)cc1 54672239 YMOITWHWEKWGAG-FQEVSTJZSA-N 409.538 2.187 10 40 HECB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)C(=O)NC2=S)c(OC)c1 409093779 BIFVFMJQTDVENV-MDWZMJQESA-N 414.439 2.249 10 40 HECB CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c2ccccc21 1090174 GKAXTSKOZPGFCZ-PFONDFGASA-N 410.480 2.365 10 40 HECB S=C(NNc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1 408724589 FUMHMIXYGRYBNF-UHFFFAOYSA-N 414.539 2.012 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1Cl 409001458 WAFBOMRCMAWJGK-UHFFFAOYSA-N 417.874 2.448 10 40 HECB Cc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C 104177696 ZAQVZMOTWPKVMD-UOUPQOMCSA-N 404.423 2.114 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)cc1O 409391582 IUXXPZHRSUERMI-IZZDOVSWSA-N 418.203 2.225 10 40 HECB CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c3ccccc32)CC1 409149516 IRPQLVLQVGWYAX-BOPFTXTBSA-N 424.526 2.156 10 40 HECB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)O 33718980 RTWZYEZLCZTNCF-BOPFTXTBSA-N 408.410 2.349 10 40 HECB Cc1ccnc(Sc2oc(C=C3C(=O)NC(=O)NC3=O)cc2Br)n1 409275471 VCXWMBLPCKUJPU-UHFFFAOYSA-N 409.221 2.041 10 40 HECB COc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1OC 5376036 QNXYHRBVZIRIFQ-GDNBJRDFSA-N 410.517 2.010 10 40 HECB Nc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1ccc(S(N)(=O)=O)cc1 103674454 OLNKDMMGOZCSOT-GHVJWSGMSA-N 409.431 2.335 10 40 HECB Cc1cc(F)cc(CN2[C@@H]3CN(Cc4ccccc4O)C[C@@H]3OCCS2(=O)=O)c1 1534645946 XNTUWKZPZIIZDG-CTNGQTDRSA-N 420.506 2.255 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/NCCc3c[nH]c4ccccc34)C2=O)cc1 3771422 KUJMENMMMIVRAP-AQTBWJFISA-N 404.426 2.476 10 40 HECB CCN(CC)C(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 6629816 RETZSIUXERYAQF-UHFFFAOYSA-N 412.515 2.108 10 40 HECB CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 8749159 IYCMEJNBSKJKLH-UHFFFAOYSA-N 418.041 2.360 10 40 HECB Oc1nc(N2CCOCC2)nc2c1CCN(Cc1ccc(N3CCCC3)c(F)c1)C2 19292976 QNFHJNVUWWZFHP-UHFFFAOYSA-N 413.497 2.316 10 40 HECB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409219648 SSUCUZATNLRAOS-ATVHPVEESA-N 403.504 2.394 10 40 HECB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)C(=N)N21 20207005 NQYSQSZHVLWROD-DAUNGZKTSA-N 420.472 2.063 10 40 HECB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O 408853577 PTMZNFXACKIJHJ-NTUHNPAUSA-N 401.306 2.115 10 40 HECB COCCN1C(=O)/C(=C\Nc2ccccc2C(=O)c2ccccc2)C(=O)NC1=S 6908268 GYTANDZEGCQYMI-SSZFMOIBSA-N 409.467 2.103 10 40 HECB COc1ccc(O)c(CN2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c1 19551681 FNADQZZGTWXXNY-UHFFFAOYSA-N 411.458 2.186 10 40 HECB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2F)c2ccc(N(C)C)cc2)CC1 22589484 KGNMKWBFZKWHFH-FQEVSTJZSA-N 420.554 2.159 10 40 HECB C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 103003764 CXSBRJVTNIVWIT-NLDJYOPPSA-N 400.818 2.339 10 40 HECB CCOc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1OC 35039383 UJIARYBCAFWYMQ-UKTHLTGXSA-N 403.503 2.183 10 40 HECB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@H]1O 36579977 HMBHGKUAAXGDIM-NIAWODJZSA-N 414.961 2.134 10 40 HECB O=C(O)CN1C(=O)/C(=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)c2ccccc21 8821915 KMWCJOLILGWXDM-NXVVXOECSA-N 423.406 2.269 10 40 HECB CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 5374966 DWWMGRXIAXRINK-LFGHMXSPSA-N 408.501 2.266 10 40 HECB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 12854539 FCGLFDOJGNUMHL-UHFFFAOYSA-N 416.547 2.216 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N(C)C)ccc21 8963915 FEOYIOUKOOULRP-LJQANCHMSA-N 402.445 2.315 10 40 HECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N(C)C)ccc21 13008573 COTPOGRUAPTUQR-OAQYLSRUSA-N 412.509 2.243 10 40 HECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(SCCO)c([N+](=O)[O-])c1 32124771 KWBSXIBQYVAJRV-UVTDQMKNSA-N 413.411 2.346 10 40 HECB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccc(Cl)c4)n3)CC2)cc1 5088459 AEHDSHGJQCTAHY-UHFFFAOYSA-N 412.881 2.351 10 40 HECB CC[C@H](C)N1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 20533318 CYDPXCLDYSOXNI-VUODPORTSA-N 400.548 2.166 10 40 HECB COCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 98086696 ICBYPIBKUGWQNC-GXDHUFHOSA-N 401.400 2.128 10 40 HECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 34883067 ANSXIXURDWUIAM-BOPFTXTBSA-N 410.426 2.487 10 40 HECB COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)cc1 96344009 RUQMKVXEIYNCFV-INIZCTEOSA-N 419.485 2.273 10 40 HECB COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 6389068 MRSZBMWTOVYILO-UHFFFAOYSA-N 405.410 2.478 10 40 HECB CCCCCCN/C=C1/C(=O)NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 6591943 PUDDIWFSSYSZDG-PEZBUJJGSA-N 403.479 2.379 10 40 HECB COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1S(=O)(=O)NC(C)C 15135073 PKFIUQZWDRHXJF-UHFFFAOYSA-N 405.520 2.378 10 40 HECB CN1CCc2cc([C@H](CNC(=O)COc3ccc(F)cc3)N3CCOCC3)ccc21 22733566 RJZPEJVRZUNCMN-QFIPXVFZSA-N 413.493 2.387 10 40 HECB Cc1c(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 100770491 VPPAFFROUYCAJH-LGMDPLHJSA-N 417.425 2.063 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/[C@@H]3SC(=S)NC3=O)cc2)n1 104123405 QRHQRAKZPLHEEN-ROHOOWMXSA-N 408.490 2.144 10 40 HECB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c1 408594185 STXFSVNWWYDXAL-LZYBPNLTSA-N 411.414 2.166 10 40 HECB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccccc3)N3CCOCC3)ccc21 22735649 NUFNKPGBVNJHRQ-NRFANRHFSA-N 401.532 2.031 10 40 HECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1 4999242 RNXIHWWWXZXODZ-UHFFFAOYSA-N 404.444 2.461 10 40 HECB COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 5111302 UEQBNAHIBZOBBC-UHFFFAOYSA-N 411.483 2.479 10 40 HECB COC(=O)Cn1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 409097302 MAMMJTSQGQABNX-RIYZIHGNSA-N 404.469 2.490 10 40 HECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 2262324 LOQSDXNFYFUPMV-RCCKNPSSSA-N 418.497 2.403 10 40 HECB CN1C(=O)/C(=C\c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)SC1=S 4745908 OAHGDEHQUMHBJB-NTCAYCPXSA-N 404.513 2.497 10 40 HECB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc(Cl)ccc2O)C3)C[C@H](C)O1 72347281 XPJYWTMQOKJMAW-STQMWFEESA-N 404.898 2.301 10 40 HECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 104204087 PPLIHMCGXWXRRN-LRDZBDLTSA-N 417.429 2.390 10 40 HECB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCCN1CCOCC1 20841933 VXMOKXBJRMKILQ-BMRADRMJSA-N 419.572 2.116 10 40 HECB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(S)nc3O)cc2)n1 104090328 HTCNLWVMTHWXMF-DQRAZIAOSA-N 418.464 2.368 10 40 HECB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cnn(-c4ccccc4)c3)cc2)C1 40156928 FMWUAEVIBJOQDZ-HXUWFJFHSA-N 417.513 2.433 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c(C)c1 980530 ZDEGMJPNGDDFHF-MHWRWJLKSA-N 411.483 2.446 10 40 HECB CCc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 56997802 UMPAWQFDEIKLHS-UHFFFAOYSA-N 410.518 2.135 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)c1 1197239 TZCSKTPYABFPMU-OVCLIPMQSA-N 412.398 2.387 10 40 HECB CCOC(Cn1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1)OCC 69923825 MOAUKSWHZAJBOF-MRXNPFEDSA-N 417.510 2.005 10 40 HECB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1N1CCOCC1 4933239 YZVYTZACPOUJKH-QGOAFFKASA-N 415.515 2.490 10 40 HECB CCS(=O)(=O)N(C)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 225968402 YJZRRXLMBLDGLF-UHFFFAOYSA-N 417.531 2.444 10 40 HECB CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1767647 CQZNWAJMNDRCOM-GDNBJRDFSA-N 408.501 2.111 10 40 HECB CN(C)c1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 27020999 IIGUMGDTJUZFJM-LVSMMTLPSA-N 406.467 2.277 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCOCC2)cc1 22998849 XZGJCBRVGRSZTJ-HXUWFJFHSA-N 414.481 2.020 10 40 HECB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 32814182 ZLVVRBARJVVEIY-UHFFFAOYSA-N 406.504 2.361 10 40 HECB CC(=O)Nc1cccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 32956418 RIGWXNJYPWCXDG-UHFFFAOYSA-N 410.474 2.331 10 40 HECB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1ccccc1F 40050068 CWVQMBHPVLZTHX-UHFFFAOYSA-N 412.377 2.285 10 40 HECB CCCCN1C(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N=C1S 103095832 ZWKWOBMEPPGUTC-QINSGFPZSA-N 413.503 2.235 10 40 HECB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@@H]1O 54361027 HMBHGKUAAXGDIM-COLVEZFJSA-N 414.961 2.134 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c(C)c1 408590852 IKVCHBUSSLCGPX-CXUHLZMHSA-N 411.414 2.166 10 40 HECB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 222909752 PCEJLOPLNARNQJ-FQEVSTJZSA-N 417.531 2.376 10 40 HECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409069696 XDRIHDWHAIFJKM-KBVGCWLLSA-N 421.431 2.029 10 40 HECB CN(C)CCCNc1cc(N2CCOCC2)c(N)c2c1C(=O)c1ccccc1C2=O 6661562 KFBQJHYHDQSKRR-UHFFFAOYSA-N 408.502 2.244 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)N2CCOCC2)cc1 22998859 ZKTUPZFHNDPQBG-FQEVSTJZSA-N 414.481 2.020 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCn3ccnc3)C2=O)cc1 33544434 XCENTXSHBWCWHI-LFIBNONCSA-N 416.528 2.299 10 40 HECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361138 ZGZXQTLOJUWEAG-OEMOTLHWSA-N 403.441 2.149 10 40 HECB CCN1C(=O)C(=Cc2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N(CC)C1=S 6438619 UEVVSRHIWCGHBW-UHFFFAOYSA-N 409.489 2.058 10 40 HECB O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1CCS(=O)(=O)O 8821605 PZYBOHIKPLPXMB-FMVMLBDOSA-N 400.459 2.240 10 40 HECB O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccco2)C1=O 15912092 XGGOFKONBRVCSW-JYRVWZFOSA-N 404.425 2.289 10 40 HECB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccc(N2CCCC2)cc1 32914687 ICKZZRWWHFQODV-UHFFFAOYSA-N 410.430 2.237 10 40 HECB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408999077 WFEUBGZKKFAPON-UHFFFAOYSA-N 403.847 2.360 10 40 HECB COc1ccc(N2CCN(c3cc(=O)n(Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 4033637 WSNFMXGHQQIVTN-UHFFFAOYSA-N 410.449 2.059 10 40 HECB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O 104204082 PPLIHMCGXWXRRN-TZFALNRWSA-N 417.429 2.390 10 40 HECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1C(=O)O 6351477 UUZGEOMJRBSLFC-LFIBNONCSA-N 410.382 2.459 10 40 HECB COc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1 13765984 ULSCXOPBQMEYKJ-WQRHYEAKSA-N 423.425 2.324 10 40 HECB CN1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2)CC1 22665035 FELHMCSCQXDDKB-NRFANRHFSA-N 411.506 2.379 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)N[C@@H](C)c3ccc(F)cc3)nnc2n1 40158925 TVSOQXIGHMYYGL-NSHDSACASA-N 418.502 2.492 10 40 HECB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 12363727 HMUVVIFHMSPNJY-ZROIWOOFSA-N 412.423 2.233 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C 22998899 YLFFTFAPPXDSQQ-QFIPXVFZSA-N 424.545 2.498 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nc4nc(C)cc(C)n4n3)CC2)cc1 3555661 JYXZMDXEXVVJIF-UHFFFAOYSA-N 412.519 2.191 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(N)nc(N)n3)c2C)cc1 5226317 ADTUSFLUYNWEMC-UHFFFAOYSA-N 412.475 2.205 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3OC)CC2)cc1 8191063 GLKORKFQRWJFEF-UHFFFAOYSA-N 419.503 2.173 10 40 HECB CCOC(=O)c1c(NC(=O)C[C@@H](NCCCOC)C(=O)O)sc2c1CCCC2 4939783 LSVHYBFHIINSNG-CYBMUJFWSA-N 412.508 2.212 10 40 HECB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1 223279484 YXRNPTJQUDREPO-UHFFFAOYSA-N 409.537 2.211 10 40 HECB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)no1 9135510 QCZKEJZKGPQLJE-LJQANCHMSA-N 411.506 2.257 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 9260018 XAOIBQDZCZVXEY-BOFQVRIASA-N 418.409 2.243 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1ncc(=O)c2ccccc21 32820279 GIYHPCDSTPTASW-UHFFFAOYSA-N 406.486 2.282 10 40 HECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1C 409004593 AQFBXIWMRVPNFM-UHFFFAOYSA-N 423.425 2.161 10 40 HECB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1Cl 409266997 ZUKYFTWNWSXLOE-UHFFFAOYSA-N 413.817 2.415 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC#N 33622730 IYQLEONRQXEFFT-GDNBJRDFSA-N 408.370 2.357 10 40 HECB CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 1090170 QSMXGYMYWDEQAI-PFONDFGASA-N 410.480 2.365 10 40 HECB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 100422875 FQMOEHLTNMZFOG-UYRXBGFRSA-N 416.478 2.302 10 40 HECB COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 5659761 TVJTUEMMGBVLPQ-UHFFFAOYSA-N 401.400 2.462 10 40 HECB CNC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 12552463 KESPNEUFGGWZPX-SNVBAGLBSA-N 407.517 2.132 10 40 HECB COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4n(C)c3=O)CC2)cc1 72404607 ZMXCOGUTZHLBAJ-UHFFFAOYSA-N 406.486 2.224 10 40 HECB O=C1NC(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccccc2)C(=O)N1 408887130 OEDAXNXRGXDIGI-UHFFFAOYSA-N 415.199 2.418 10 40 HECB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)sc(C)c1C 409204784 JNPPCQAZPMWMHI-UHFFFAOYSA-N 417.512 2.473 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C2=O)cc1 409189308 PFNBEOBLELQQOJ-JASJWYONSA-N 410.382 2.214 10 40 HECB COc1ccc(N2CCN(C(=S)NC(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 17089907 PMHXBIJJCBEVGJ-UHFFFAOYSA-N 414.487 2.369 10 40 HECB COc1ccc(N2CCN(C(=O)Cn3cnc4ccc(Cl)cc4c3=O)CC2)cc1 5172225 GWOTZLSOZBBNDR-UHFFFAOYSA-N 412.877 2.407 10 40 HECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)c1 9309867 MFFBXBXNUKJFBC-LFIBNONCSA-N 424.413 2.241 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c(OC)c1OC 98002412 JLOXQZRWYRFRJE-NTCAYCPXSA-N 424.544 2.246 10 40 HECB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1265321 ZMVOLIGIBSOPDM-VBKFSLOCSA-N 424.544 2.136 10 40 HECB O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@H]1O 36579976 HMBHGKUAAXGDIM-DCTXWPTRSA-N 414.961 2.134 10 40 HECB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)O 208647048 UARDGAGJKZFDDV-WTKPLQERSA-N 404.263 2.410 10 40 HECB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c([N+](=O)[O-])c1 408912936 IKOKYWJPPFNHSV-RIYZIHGNSA-N 414.443 2.267 10 40 HECB CCOc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 1023705 LFIHVTLSFADXDH-UHFFFAOYSA-N 413.293 2.455 10 40 HECB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733583 KZCGITMXOUASKT-QHCPKHFHSA-N 408.546 2.406 10 40 HECB O=C(O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 409068033 FKLVXFIRVZVROJ-NVNXTCNLSA-N 400.774 2.470 10 40 HECB C[C@@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 100872190 ROUKNCDQYBCAJR-DIFSJUBJSA-N 416.480 2.045 10 40 HECB COc1ccc(/C=C2\SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc1OC 8819406 UTSUCWGDEUOVLT-JYRVWZFOSA-N 423.541 2.124 10 40 HECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC#N)C2=O)o1 33765342 MLRUYYHLIAYBPR-YBEGLDIGSA-N 424.413 2.127 10 40 HECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(OC(C)=O)c(OC)c3)C2=O)cc1 1505840482 WNUPKCBSRQHGQB-BOPFTXTBSA-N 424.409 2.259 10 40 HECB COC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1810261 DMHFFSRNEPWKNP-KHPPLWFESA-N 413.274 2.146 10 40 HECB CCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 4811875 WRYMFAQGWORQLI-UVTDQMKNSA-N 416.528 2.061 10 40 HECB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCCn1ccnc1 101362390 GRSMEXVIWQNJOZ-UVTDQMKNSA-N 423.420 2.213 10 40 HECB CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C1=O)OCO2 408952415 NSCTXHZRDYWOGB-WLRTZDKTSA-N 424.365 2.209 10 40 HECB Cc1c(CC(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)oc2c(O)c(O)ccc12 13721841 CSAQIKJHPSIMFH-UHFFFAOYSA-N 406.398 2.334 10 40 HECB O=C(O)CN1C(=O)/C(=C\c2ccc(O)c(I)c2)SC1=S 408964803 SJXAJUACHNCJHO-RUDMXATFSA-N 421.237 2.283 10 40 HECB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409145122 MKXIOFVGHPPHGE-WOJGMQOQSA-N 417.421 2.476 10 40 HECB COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733190 SGBBZJBXCMNDCE-HSZRJFAPSA-N 409.530 2.420 10 40 HECB C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1)c1ccccc1 22998962 GWLQXBWMWQBXPG-GCJKJVERSA-N 424.545 2.120 10 40 HECB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NN2CCN(C)CC2)C1=O 27530476 MXWYDVLBTUMAIQ-KDOCSACZSA-N 416.572 2.113 10 40 HECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NNC(=S)Nc1ccccc1 2391132 APYXCKAPBHVSQM-BENRWUELSA-N 415.862 2.298 10 40 HECB COc1cc(OC)c(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 13654311 ZNNXWBTUWVXUAA-OYGDSYQHSA-N 413.883 2.058 10 40 HECB COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(F)cc3)CC2)cc1 72238842 VFLIPDDQXLXELR-FQEVSTJZSA-N 404.482 2.413 10 40 HECB COC(=O)COc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1 408785857 IQWVOODDVVCPCD-LVSMMTLPSA-N 415.442 2.090 10 40 HECB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Br)ccc1O 45822092 RZLZFRGDODQILZ-QGZVFWFLSA-N 404.264 2.492 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007330 QIZNGHSXKRKDTN-JOCHJYFZSA-N 422.529 2.116 10 40 HECB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC(=S)N1C[C@@H]1CCCO1 8764833 JKMBXYXFPVOBRR-ZEIXSXTKSA-N 417.556 2.148 10 40 HECB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC 223880822 SHRYGGBOXHAVEW-UHFFFAOYSA-N 405.520 2.332 10 40 HECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC 5340547 YHSKAWZPXMIOLY-SFHVURJKSA-N 414.506 2.127 10 40 HECB C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 19662583 GUGLHMXJEMOURD-GOSISDBHSA-N 409.534 2.161 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)N[C@H](C)c3ccc(F)cc3)nnc2n1 40158926 TVSOQXIGHMYYGL-LLVKDONJSA-N 418.502 2.492 10 40 HECB COc1ccc(N2N=C(C)/C(=C(\C)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 13519805 OGFGQIFBBDFKFF-UYRXBGFRSA-N 414.487 2.129 10 40 HECB COc1ccc(N(C)CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 224386616 QGEHFULUABFNFK-UHFFFAOYSA-N 417.531 2.491 10 40 HECB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1 9264575 XXRRSBZRHCCCKM-XMHGGMMESA-N 406.442 2.055 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\NCc3noc(-c4ccccc4)n3)C2=O)cc1 20621637 QSKPUWPTMNKBST-LFIBNONCSA-N 419.397 2.002 10 40 HECB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CCOCC3)ccc21 22733560 DNCYRQPQMSTZOL-NRFANRHFSA-N 413.493 2.387 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H]1CSC[C@@H]1O 54361071 UKDRKUOLPPMLPU-SYCNKOGLSA-N 408.570 2.261 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N(C)C)ccc21 8963985 BKOLLRNETGMSGI-HXUWFJFHSA-N 414.937 2.368 10 40 HECB CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 17088511 OCTDADNJJRTWSK-UHFFFAOYSA-N 410.477 2.100 10 40 HECB COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1C 408947948 DXHADKFFPIZJIN-CXUHLZMHSA-N 411.414 2.146 10 40 HECB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22733580 KZCGITMXOUASKT-HSZRJFAPSA-N 408.546 2.406 10 40 HECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)O 34718535 XWYHJNMFPIXUBR-CDCQXCROSA-N 412.398 2.017 10 40 HECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 4815327 WPLWLPYTYVYRRX-QPEQYQDCSA-N 402.790 2.273 10 40 HECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCCCO4)cc2)C1 55916712 KKUYVBZGPWAVHE-SFHVURJKSA-N 409.486 2.480 10 40 HECB O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21 95480711 OMJSFGLTIHWCEX-UHFFFAOYSA-N 417.465 2.167 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C2=O)cc1 409189309 PFNBEOBLELQQOJ-PILJQMSFSA-N 410.382 2.214 10 40 HECB CCN(CC)C[C@H](O)CNc1ccc(NC[C@@H]2CO2)c2c1C(=O)c1ccccc1C2=O 5424092 JYOOEVFJWLBLKF-HZPDHXFCSA-N 423.513 2.387 10 40 HECB CCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7362885 IDRSHIHDEVLKLF-OAHLLOKOSA-N 404.536 2.249 10 40 HECB COC(=O)COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 9311585 ODDGEVCBZNRASX-UHFFFAOYSA-N 417.270 2.144 10 40 HECB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12634129 ZYYBBQPUJUOVOT-UHFFFAOYSA-N 404.488 2.131 10 40 HECB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2F)c2ccc(N(C)C)cc2)CC1 22589490 KGNMKWBFZKWHFH-HXUWFJFHSA-N 420.554 2.159 10 40 HECB C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1)c1ccccc1 22998960 GWLQXBWMWQBXPG-XMSQKQJNSA-N 424.545 2.120 10 40 HECB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 6363589 IGZSBCPKRISJOW-PDGQHHTCSA-N 406.467 2.357 10 40 HECB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccnc1 17088213 IZBPAFXZODVOIV-UYRXBGFRSA-N 409.402 2.319 10 40 HECB CCOc1ccc(NC(=O)[C@H](/N=N/c2ccc(S(N)(=O)=O)cc2)C(C)=O)cc1 104123612 HCSHEVGLVYXIJU-BFQBXFRASA-N 404.448 2.413 10 40 HECB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3c(N)nc(S)nc3O)cc2)s1 104090432 VZTNKKAPOBXKHA-HNENSFHCSA-N 424.493 2.429 10 40 HECB COC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1\SC(=S)N(CC(=O)O)C1=O 256055817 VJKCKMAPQDLFMM-SDQBBNPISA-N 406.441 2.249 10 40 HECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 408894369 HSCNGDDYEWLQLF-NTEUORMPSA-N 400.774 2.499 10 40 HECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nnc(-c3ccccc3)s2)C1=O 408531931 PEPKCKOHLPZHBN-ACCUITESSA-N 421.438 2.793 10 40 HECB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)ccc2c1=O 1538747689 UJAWXTKDKWDNFX-OAHLLOKOSA-N 408.458 2.139 10 40 HECB COc1ccc(N2CCN(C(=O)CCN3CCN(c4nccs4)CC3)CC2)cc1 12540599 MFDXNHADOGIMSS-UHFFFAOYSA-N 415.563 2.013 10 40 HECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 14671674 UJFZLUAKCSHTPG-PJGJZCPTSA-N 406.235 2.171 10 40 HECB O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NN1CCOCC1 2307145 OSGHSMCLAKJFRG-SDNWHVSQSA-N 411.936 2.295 10 40 HECB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138444 DFNOWKHLUIPFFS-OAQYLSRUSA-N 400.567 2.484 10 40 HECB CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4302362 FVIYCVPEWPIVJE-LJQANCHMSA-N 420.506 2.486 10 40 HECB CCN(/C=C1\SC(=S)N(CCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9530657 FDCORMZQIOYQFF-WMJYUBJYSA-N 410.586 2.440 10 40 HECB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3 4775980 YIBHFUOENBEGOT-OAQYLSRUSA-N 419.437 2.237 10 40 HECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)N[C@@H](Cc1c[nH]cn1)C(=O)O 100113501 XECIZRGTSOTREV-FBKCMUNRSA-N 410.459 2.301 10 40 HECB O=C(O)CCN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O 2695048 RUNZHYJYFNPERT-HBZGRHIISA-N 424.887 2.143 10 40 HECB aggregator Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3c(N)[nH]c(=O)[nH]c3=O)cc2)c1C 18141742 ORBJEGHZJULAIB-QZQOTICOSA-N 404.408 2.071 10 40 HECB COc1ccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)cc1 22802185 UKPDWGKJPCRKSC-UHFFFAOYSA-N 408.546 2.162 10 40 HECB CN(C)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 48989061 PGIDJBFGBCOBID-UHFFFAOYSA-N 413.499 2.378 10 40 HECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3nc(C)c(C)s3)CC2)cc1 72405966 APJBACOZIFZOQW-UHFFFAOYSA-N 403.508 2.239 10 40 HECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 16134606 XRVNHCHVOGKGHK-UHFFFAOYSA-N 418.497 2.452 10 40 HECB COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 12590169 QQGIVLPDOUVZRN-GZTJUZNOSA-N 403.394 2.481 10 40 HECB C[C@H](C(=O)O)N1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 2668730 ROUKNCDQYBCAJR-SVXDVDSDSA-N 416.480 2.045 10 40 HECB CN(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1 4140117 LISUYWICDWWBQD-DAYGRLMNSA-N 408.380 2.252 10 40 HECB COc1ccc(N2N=C(C)/C(=C/c3c(O)[nH]c(=O)n(-c4ccccc4)c3=O)C2=O)cc1 13590372 GEMYVQZZAUUHFX-ATVHPVEESA-N 418.409 2.046 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998829 JQLSYQOVWAIHHJ-OAQYLSRUSA-N 410.518 2.189 10 40 HECB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 41085302 DOUDKQBNPHGXLR-PYDVBCTCSA-N 419.532 2.400 10 40 HECB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN(CCO)CCO)c1O 11867309 NSPHOSAQCREYTC-UHFFFAOYSA-N 404.488 2.280 10 40 HECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 409220231 ZROCJYUGCLPKTI-UHFFFAOYSA-N 413.817 2.415 10 40 HECB COCCNc1nnc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 5643926 YFQXFCSQXLNMPA-UHFFFAOYSA-N 423.564 2.046 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N3CCCC3)ccc21 8964028 NPWVBUOHQYESHF-QFIPXVFZSA-N 406.530 2.248 10 40 HECB CCN(CC)C[C@H](O)CNc1ccc(NC[C@H]2CO2)c2c1C(=O)c1ccccc1C2=O 5424110 JYOOEVFJWLBLKF-CVEARBPZSA-N 423.513 2.387 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 100343801 XAOIBQDZCZVXEY-YPOUMIDOSA-N 418.409 2.243 10 40 HECB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 19079018 ABCURTGRGQOZGC-GFCCVEGCSA-N 418.500 2.401 10 40 HECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409211783 OFQOLUJWWRKXBR-UHFFFAOYSA-N 414.399 2.095 10 40 HECB COC(=O)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)SC1=S 409213612 SHRMIMAGUAUTPX-WZUFQYTHSA-N 401.849 2.178 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)N3CCc4ccccc4C3)nnc2n1 3330025 PZORWKXBBFJVOF-UHFFFAOYSA-N 412.523 2.060 10 40 HECB COc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22664920 UHDRKPCVTPUIIU-HXUWFJFHSA-N 413.518 2.330 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998894 QMPMTKFZELTQNR-NRFANRHFSA-N 410.518 2.189 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC)c(F)c3)CC2)cc1 5149319 MFQDTSZYILJUET-UHFFFAOYSA-N 402.422 2.349 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCOCC2)cc1 22664915 UAGNVCUPIDJEEH-NRFANRHFSA-N 401.482 2.460 10 40 HECB COc1ccc(N2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1 57547934 AWQGXNNIMYLKNR-UHFFFAOYSA-N 410.518 2.293 10 40 HECB CCN(C(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 33585285 BFALYPTWVMBETN-MFYHJKBNSA-N 424.569 2.167 10 40 HECB COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)cc1 96344006 RUQMKVXEIYNCFV-MRXNPFEDSA-N 419.485 2.273 10 40 HECB O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257256100 KKBVYMFMDWUBBB-ICSRJNTNSA-N 411.433 2.349 10 40 HECB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409217082 RISYBJHIUPYBSY-LGMDPLHJSA-N 403.504 2.428 10 40 HECB CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cnc4c(cnn4C(C)C)c3)nc12 32933396 JGCGYUKWNUMBIE-UHFFFAOYSA-N 424.417 2.294 10 40 HECB CC(=O)[C@]1(/N=N\c2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O 104123376 VOUJPBIIZGLQJV-VVDBFAKWSA-N 406.420 2.451 10 40 HECB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3 4775971 YIBHFUOENBEGOT-NRFANRHFSA-N 419.437 2.237 10 40 HECB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(F)cc1 107596813 TXQAPVSVANXBAF-UHFFFAOYSA-N 417.780 2.246 10 40 HECB Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C 4366079 ZAQVZMOTWPKVMD-ZZGUXWCQSA-N 404.423 2.114 10 40 HECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 4806500 ZYKGYMJLWTVNBJ-REZBVGGZSA-N 409.421 2.419 10 40 HECB O=C(O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409046233 JKXOFADFGBQLGI-RIYZIHGNSA-N 400.774 2.470 10 40 HECB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12609090 RWDMDBZINPCNDJ-UHFFFAOYSA-N 408.502 2.268 10 40 HECB O=C1/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC(=S)N1C[C@@H]1CCCO1 98037940 JKMBXYXFPVOBRR-GDYKFJRLSA-N 417.556 2.148 10 40 HECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)C(=N)N21 20211387 HHCPIGLPSBOHPR-KWWXOIQGSA-N 417.447 2.238 10 40 HECB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCCn1ccnc1 6188160 JTCLMBQNXRWZJY-UVTDQMKNSA-N 407.352 2.049 10 40 HECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13692713 IOPNWLRLQMBEAE-HQQGHWSLSA-N 403.441 2.149 10 40 HECB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)OC 33780226 BLISUHAXCHUZEL-PDGQHHTCSA-N 422.437 2.437 10 40 HECB CCOC(=O)COc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34856625 PTVPLLVGRBBUPM-PDGQHHTCSA-N 409.442 2.156 10 40 HECB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1O 5071924 KNVVJLMZMKTRMV-LIFNGZQPSA-N 413.459 2.032 10 40 HECB COc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)NC2=S)cc1 409103114 AQANBUWGFONTSS-AUWJEWJLSA-N 412.423 2.264 10 40 HECB N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 5163124 MQSUYHGAVXQXMY-CJPOYQPDSA-N 413.459 2.120 10 40 HECB CN1C(=O)C(=Cc2cc(Br)c(Sc3ncccn3)o2)C(=O)N(C)C1=O 409083497 BBQWUXQTIJUKSX-UHFFFAOYSA-N 423.248 2.417 10 40 HECB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 409142646 FEJMIQSEEJRXJY-LICLKQGHSA-N 421.409 2.459 10 40 HECB COc1ccc(CCN2C(=O)/C(=C/N3CCN(C)CC3)SC2=S)cc1OC 9049267 SWYLOTFITRQCJF-LGMDPLHJSA-N 407.561 2.195 10 40 HECB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408914310 PEESYDKRUBODJA-RIYZIHGNSA-N 414.443 2.267 10 40 HECB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 5175016 BZMRJFYDQMOZAP-UHFFFAOYSA-N 402.501 2.465 10 40 HECB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1cc([N+](=O)[O-])ccc1O 17905722 YWLLBSRMBYARII-UHFFFAOYSA-N 422.235 2.499 10 40 HECB CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 5374968 DWWMGRXIAXRINK-PCRWRXJSSA-N 408.501 2.266 10 40 HECB CC(=O)N1[C@@H](C(=O)N(CCO)Cc2ccccc2)CS[C@H]1c1ccccc1O 27118137 UBWFMWJABHLTEZ-NQIIRXRSSA-N 400.500 2.376 10 40 HECB CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 16321118 WDSCBTWXLWDWNS-ZSOIEALJSA-N 408.482 2.260 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC 408847148 PMKRCTHLJONXQK-NTUHNPAUSA-N 415.333 2.418 10 40 HECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409251708 BEPCPXCUBMVHEC-UHFFFAOYSA-N 423.425 2.079 10 40 HECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)OC)C2=O)cc1 408990107 MNUSKUKGTQXQCZ-ATVHPVEESA-N 408.410 2.467 10 40 HECB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 8964066 LUZVMDIQKNXTSC-QFIPXVFZSA-N 424.520 2.388 10 40 HECB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 13572946 CKMVBGHPRBRUHJ-XDPMZMSMSA-N 422.553 2.095 10 40 HECB O=C(O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408783701 QGWZLSXGMHYVJM-NTEUORMPSA-N 400.774 2.470 10 40 HECB O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(I)cc1 16429143 VDTMJBZEODYNIV-UHFFFAOYSA-N 419.240 2.223 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 4092880 CAPMGBJOKQSPKQ-AZXNSQLWSA-N 421.497 2.087 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCc2ccccc2)N2CCCC2)cc1 5340905 NHMIGTXTZORDAJ-JOCHJYFZSA-N 408.546 2.365 10 40 HECB C#CCOc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 34720855 IAGVLQVOIPNVHF-BOPFTXTBSA-N 423.425 2.237 10 40 HECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408986724 DEEBNCKCURVAMB-SFQUDFHCSA-N 410.451 2.460 10 40 HECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 5593582 LSZFVBHHUXRATL-QGOAFFKASA-N 411.458 2.494 10 40 HECB CCOC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 6206368 CFTUPTXGMPWTDG-INQVIGDZSA-N 410.426 2.487 10 40 HECB Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c2c(=O)[nH]c(=O)n(C)c2n1 19716359 BZNNRGPIHGIQSH-OAHLLOKOSA-N 421.501 2.412 10 40 HECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)C1=O 409237651 KMQNNQPNAIYHLL-FYWRMAATSA-N 411.414 2.181 10 40 HECB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13582025 SMVOBVYRXRADRY-UHFFFAOYSA-N 419.846 2.057 10 40 HECB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 25461092 OSBRTIDBXVTMDC-JOCHJYFZSA-N 423.513 2.196 10 40 HECB CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 13144114 QVVUVUFAZOMDEA-LVBDUCALSA-N 408.454 2.461 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(C)ccc3OC)nnc2n1 10165934 SHZBHTSMAIHYTB-UHFFFAOYSA-N 416.511 2.431 10 40 HECB C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1)c1ccccc1 22998961 GWLQXBWMWQBXPG-PGRDOPGGSA-N 424.545 2.120 10 40 HECB CSCC[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374855 NTUDLEKDOZQKCL-VWLVURMCSA-N 410.542 2.210 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22998904 SKNXDIYSOZRHBO-QFIPXVFZSA-N 424.545 2.498 10 40 HECB COc1cccc(N2C(=O)NC(=O)/C(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)c1 100373148 WAWZALGVVBGSPT-ZCWPUFOUSA-N 418.409 2.243 10 40 HECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913664 MULFPHITTRDQNH-LICLKQGHSA-N 412.373 2.434 10 40 HECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c(C)c1 409256756 PQHMUFOBVBRVIP-UHFFFAOYSA-N 409.467 2.235 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)C3C[C@H]4CCC[C@H](C3)C4=O)CC2)cc1 103137859 ZTGPUSCRMUSTBZ-IAGOWNOFSA-N 414.502 2.282 10 40 HECB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 5092966 AMFPTOLHLCGYGX-NHSARVKJSA-N 411.443 2.047 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1 2281291 SHBSIGOCIBABAJ-LFIBNONCSA-N 410.382 2.215 10 40 HECB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1 22998869 IYEQLZJMMLEINF-JOCHJYFZSA-N 424.545 2.443 10 40 HECB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccccc3Cl)CC2)cc1 56997519 HZMQOVDHCXOUMA-UHFFFAOYSA-N 409.939 2.449 10 40 HECB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(CCN2CCOCC2)C1=O 98002414 WCGUAYBYPSYHJE-GZTJUZNOSA-N 424.544 2.246 10 40 HECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 8995442 CRTSQBBSMOPCIM-LDADJPATSA-N 410.405 2.401 10 40 HECB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cnc(O)[nH]c1=O 32553939 VDCXOIXVXMEUKO-UHFFFAOYSA-N 405.819 2.161 10 40 HECB C[C@@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044670 OWKWVHBZYQYTHJ-WNSKOXEYSA-N 418.497 2.285 10 40 HECB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCCn1ccnc1 6660783 QXEJVBHWPKYOMP-GDNBJRDFSA-N 404.492 2.430 10 40 HECB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13612397 KVYCJGMQHIVMAL-UHFFFAOYSA-N 417.531 2.378 10 40 HECB C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1)c1ccccc1 22998964 GWLQXBWMWQBXPG-AVRDEDQJSA-N 424.545 2.120 10 40 HECB COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 26781682 VFIPTDYTIBKXRZ-IBGZPJMESA-N 400.475 2.044 10 40 HECB COc1ccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)c(OC)c1 32956410 KRPJSPKNFUZDQV-UHFFFAOYSA-N 413.474 2.390 10 40 HECB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 409044116 AXRGPHBBKNGHFT-UHFFFAOYSA-N 413.817 2.415 10 40 HECB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)no1 13007888 DWNNJGICPUNAHI-IBGZPJMESA-N 411.506 2.257 10 40 HECB CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 34702611 CFTUPTXGMPWTDG-ZSRMJVKVSA-N 410.426 2.487 10 40 HECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22594344 BXTNWJWKSTVBBB-QFIPXVFZSA-N 423.561 2.104 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCCC2)cc1 5340709 ZMPOBEQHWGLRJW-NRFANRHFSA-N 412.509 2.461 10 40 HECB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(/C=C/c3ccccc3)CC2)cc1 34926548 GTGUKAULNGWAOB-VAWYXSNFSA-N 409.486 2.401 10 40 HECB CCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 7041233 IEWMIPVDFFGOQJ-UHFFFAOYSA-N 406.490 2.260 10 40 HECB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)co3)CC2)cc1 36359456 HPYSQTCRAQGYFY-UHFFFAOYSA-N 416.474 2.301 10 40 HECB O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@H]1O 54361030 HMBHGKUAAXGDIM-WCCNQAHISA-N 414.961 2.134 10 40 HECB CN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(=O)N(C)C1=O 408542736 NQKRRHLXBBPHNP-UHFFFAOYSA-N 407.382 2.415 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nnc(CN4CCCC4)o3)CC2)cc1 8229712 UEKCWDHPETYBOI-UHFFFAOYSA-N 417.535 2.115 10 40 HECB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(N)=O)C1=O 409223778 HOVBPXWUZQNNIL-RIYZIHGNSA-N 413.817 2.179 10 40 HECB O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 966833 ZILGMVUCXJAIFQ-KHPPLWFESA-N 413.274 2.447 10 40 HECB CC(C)OCCCNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4811592 IBOSUVZKEBVNMK-UHFFFAOYSA-N 410.470 2.411 10 40 HECB COc1ccc(N2CCN(C(=O)CCc3c(C)c4c(C)nn(C)c4[nH]c3=O)CC2)cc1 32827207 OCSXJPJGEIRFAA-UHFFFAOYSA-N 423.517 2.168 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC3CCCCC3)CC2)cc1 9570054 WLVLEHQHBHGJLW-UHFFFAOYSA-N 423.579 2.234 10 40 HECB COc1ccc(N2CCN(C(=O)CNc3ccccc3SCC(N)=O)CC2)cc1 24045552 XIJXKNJFSQUMNU-UHFFFAOYSA-N 414.531 2.033 10 40 HECB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 2255316 LSYWMHLPMNKWQD-GHXNOFRVSA-N 418.500 2.048 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc4c(c3)CCC4)CC2)cc1 4254164 SSKNUTBVUXOGBZ-UHFFFAOYSA-N 424.497 2.455 10 40 HECB CC(C)CNC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 5452745 UTCQGKJKXQSBKK-UHFFFAOYSA-N 410.382 2.299 10 40 HECB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 53697053 AQRXZESPVVKCKI-UHFFFAOYSA-N 404.488 2.097 10 40 HECB COc1ccc(N2CCN(CCCNc3nn4c(=O)cc(C)nc4s3)CC2)cc1 32905153 XUFMSXGPFRLYPB-UHFFFAOYSA-N 414.535 2.092 10 40 HECB CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216945309 GQEPNMCDHYQDJQ-UHFFFAOYSA-N 416.547 2.130 10 40 HECB COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 44667840 MLOADXHDTYFORZ-QGZVFWFLSA-N 409.486 2.406 10 40 HECB Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1NS(C)(=O)=O 216944468 VZUXRZATOJYAQR-UHFFFAOYSA-N 416.547 2.048 10 40 HECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963874 BEBYOEDSPLENBS-HXUWFJFHSA-N 410.518 2.354 10 40 HECB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1 22733809 YAYXTEWRILTXHM-HSZRJFAPSA-N 422.573 2.471 10 40 HECB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCC(OC)OC 112291331 UICGINCDRJPSNS-BOPFTXTBSA-N 418.475 2.045 10 40 HECB CC(/C=C1\SC(=S)N(CC(=O)NN2CCOCC2)C1=O)=C\c1ccccc1 5376111 FBVUOWBJVFRRRI-YUTYINLDSA-N 403.529 2.198 10 40 HECB O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccc(OC(F)(F)F)cc1)CN=2 6662500 TZQREYNPEHPUEH-DHDCSXOGSA-N 406.389 2.087 10 40 HECB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 253401194 MPFKMGJTBDBNOB-IBGZPJMESA-N 415.559 2.362 10 40 HECB biogenic,in-vitro CN(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1 4140115 LISUYWICDWWBQD-RKVPGOIHSA-N 408.380 2.252 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 5405425 QTGOPSNNYKMAGV-UHFFFAOYSA-N 414.458 2.218 10 40 HECB CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2S1(=O)=O 48303331 FLZXHQSWKBWNRD-UHFFFAOYSA-N 401.488 2.236 10 40 HECB CN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2252545 KFIUVPWHXNOFKK-BENRWUELSA-N 404.542 2.079 10 40 HECB CN(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1 4140116 LISUYWICDWWBQD-VKJFTORMSA-N 408.380 2.252 10 40 HECB C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O 23653474 OUCDQSOYKRLJNP-HTAPYJJXSA-N 400.523 2.413 10 40 HECB Cc1cc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc2c(c1)OCO2 8162469 SLYMUWNRRQEWDF-WEBJUUICSA-N 416.499 2.482 10 40 HECB Cn1c(-c2ccccc2)cnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 5263899 KBAWIWDMRAPFPQ-UHFFFAOYSA-N 413.503 2.465 10 40 HECB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 5370671 BOHLXQSTNFUFAS-QINSGFPZSA-N 419.528 2.189 10 40 HECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccccc1 5906570 KMBDOHPJVARLPJ-UHFFFAOYSA-N 412.467 2.457 10 40 HECB CCN(C(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 13574509 BFALYPTWVMBETN-QTNMRXCUSA-N 424.569 2.167 10 40 HECB COc1ccc(N(CC(=O)O)CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 34926492 NTUSNIXSZKBLPI-UHFFFAOYSA-N 411.502 2.367 10 40 HECB O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)C(=O)N1 408759168 ZBFABHUPCKICPC-UHFFFAOYSA-N 422.418 2.357 10 40 HECB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)sc2n1 32745428 IBRJFSFZVMHEFS-UHFFFAOYSA-N 406.508 2.025 10 40 HECB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCC(=O)NCc2ccccc2)cc1 4703019 KVGIFAYNLSHTBS-UNOMPAQXSA-N 406.438 2.342 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1 3555684 QOEKZMARJRCCOS-UHFFFAOYSA-N 413.474 2.348 10 40 HECB C[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(N2CCCCC2)cc1 19716254 KBXVRJYPGKWLHB-MRXNPFEDSA-N 408.506 2.388 10 40 HECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 408536999 YTCIPWFXDCZWBI-GXDHUFHOSA-N 412.358 2.278 10 40 HECB CN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)NC1=S 408915543 XOBOVEBDJLXXNL-QHHAFSJGSA-N 420.082 2.174 10 40 HECB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1C 15018606 FMUDEFKKITVYQH-UHFFFAOYSA-N 409.467 2.235 10 40 HECB COc1ccc(-c2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20439760 ZNCWGOLNEYQEGU-UHFFFAOYSA-N 410.470 2.284 10 40 HECB biogenic COc1ccc(-c2cc3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)cc1 20605090 YXIFZBFVPOCOGG-UHFFFAOYSA-N 410.470 2.284 10 40 HECB biogenic CCCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S 27563053 PQFODOPRUQRDSI-SEYXRHQNSA-N 407.429 2.072 10 40 HECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C)ccc3C)CC2)cc1 56997822 IXZDZVGGSQYOPS-UHFFFAOYSA-N 410.518 2.189 10 40 HECB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21 817223 QQGIVLPDOUVZRN-BOPFTXTBSA-N 403.394 2.481 10 40 HECB COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1O 7428373 WFIALUVMBUGXDP-KRWDZBQOSA-N 403.460 2.470 10 40 HECB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 46330315 WZZKCYUESSKQGQ-HXUWFJFHSA-N 404.488 2.172 10 40 HECB COc1ccc(/C=C2/SC(=S)N(CC(=O)NC3=NCCS3)C2=O)cc1OC 27530631 UTSUCWGDEUOVLT-MDWZMJQESA-N 423.541 2.124 10 40 HECB CN(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1 951777 LISUYWICDWWBQD-RVKKMQEKSA-N 408.380 2.252 10 40 HECB CC(C)N1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 1252757 XWNVMEWSHWOXQI-KAMYIIQDSA-N 416.528 2.141 10 40 HECB C[C@@]1(N(CCNCc2ccc(N)cc2)Cc2ccc(N)cc2)CCS(=O)(=O)C1 575420412 HQFDIBXLIWQTOY-OAQYLSRUSA-N 402.564 2.020 10 40 HECB COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)cc1OC 6623887 FREJFNQDDHRGEC-UHFFFAOYSA-N 413.426 2.431 10 40 HECB biogenic CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCC3)ccc21 8964143 GXUZSSXCGNFSGO-HSZRJFAPSA-N 420.557 2.291 10 40 HECB CCOc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)ccc1O 12576903 SNEHKDPIYGHALF-GARZTLJTSA-N 411.457 2.310 10 40 HECB NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 409265226 RLTZSRUSMJQJMT-ZROIWOOFSA-N 415.858 2.035 10 40 HECB CC(C)[C@@H]1NC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 102729180 WNJRJDCMWAWMBB-KSZLIROESA-N 406.413 2.377 10 40 HECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O 59426697 IUAOWFSIYQNVSP-VZUCSPMQSA-N 403.734 2.326 10 40 HECB COc1ccc(N2CCN(C(=O)COC(=O)C3C[C@@H]4CCC[C@@H](C3)C4=O)CC2)cc1 103137856 ZTGPUSCRMUSTBZ-IRXDYDNUSA-N 414.502 2.282 10 40 HECB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccccn1 225210204 ALGCHNATVWVFSE-UHFFFAOYSA-N 406.533 2.361 10 40 HECB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OC 59139783 IIJAIZPXMOXYDX-UHFFFAOYSA-N 413.293 2.455 10 40 HECB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCc2c[nH]cn2)C1=O 6660636 DATSBHYHAAJUQC-YBEGLDIGSA-N 416.528 2.369 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCC3CCCC3)CC2)cc1 9570058 WIWVOEGQBJCSLR-UHFFFAOYSA-N 423.579 2.234 10 40 HECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409396055 VUQFYJQTZFMVEK-SFQUDFHCSA-N 402.366 2.237 10 40 HECB CNc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc(C2CCNCC2)n1 19710115 ZGIOIJRBVLNFQN-UHFFFAOYSA-N 410.566 2.454 10 40 HECB COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 4083670 FTHPLASYTJDLBH-UHFFFAOYSA-N 411.483 2.479 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 13007332 QIZNGHSXKRKDTN-QFIPXVFZSA-N 422.529 2.116 10 40 HECB COC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34793847 YNHPVQAPGWIGON-HIXWQLQUSA-N 409.442 2.154 10 40 HECB COC(=O)CN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)NC1=S 409200435 IGKSNDYTYRBLOK-SXGWCWSVSA-N 414.443 2.233 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 245229620 CAPMGBJOKQSPKQ-PWSZPPJVSA-N 421.497 2.087 10 40 HECB O=C(O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 409047383 OMEFAWPRQDVVFI-FMIVXFBMSA-N 400.774 2.470 10 40 HECB CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(N4CCOCC4)cc2)CC3)CC1 12117864 DMUMIYJFMFKEQL-UHFFFAOYSA-N 423.561 2.401 10 40 HECB COc1ccc(CN2C(=O)NC(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C2=O)cc1 8997124 CPAGMLYOCYWFRW-WOJGMQOQSA-N 408.414 2.228 10 40 HECB CN(C)c1ccc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 32904626 KLFCWQKWVQWKPE-JLHYYAGUSA-N 406.530 2.226 10 40 HECB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1 1249954 AJCHHIIBZMJARW-VKAVYKQESA-N 418.588 2.255 10 40 HECB COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](Cn4ccnc4C)C3)CC2)cc1 19658097 YODOCWGYUUOWMV-HXUWFJFHSA-N 411.550 2.261 10 40 HECB O=C1c2ccccc2C(=O)c2c1cccc2N1C(=S)S[C@@H]2CS(=O)(=O)C[C@H]21 12139583 WIXFDMHBYIZRIP-HUUCEWRRSA-N 415.517 2.466 10 40 HECB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 7988133 FZNQBCUKNPLZDJ-GFCCVEGCSA-N 407.378 2.220 10 40 HECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998843 VGLJKKZIZFMGCM-QFIPXVFZSA-N 424.545 2.498 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC)cc3)nnc2n1 27526560 XAYDXBABZWHXPZ-UHFFFAOYSA-N 402.484 2.122 10 40 HECB CCc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC 223712096 FTZXHZIAMBWOQI-UHFFFAOYSA-N 403.548 2.488 10 40 HECB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)Cc1ccccc1 222900370 DESHNPRJUZSXGL-UHFFFAOYSA-N 401.532 2.365 10 40 HECB COc1cc(/C=C2\C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1OCC(=O)O 4698862 VMPQSXVGCQQYPC-SXGWCWSVSA-N 409.398 2.064 10 40 HECB CSCC[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O 4942297 VQQPDFLILDZGGL-AUWXEVLLSA-N 410.542 2.454 10 40 HECB CCCCOC(=O)c1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1 9423031 BZKMUWLVGBEPSG-BOFQVRIASA-N 419.503 2.345 10 40 HECB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cccc3nsnc23)c2ccccc2O1 19079049 ZJJQYLOCLBHWDN-OAHLLOKOSA-N 418.500 2.174 10 40 HECB C[C@H]1CN(S(=O)(=O)N2CCN(Cc3c(O)ccc4ccccc34)CC2)C[C@@H](C)O1 37175915 UMZAVEKJYLYGQI-CALCHBBNSA-N 419.547 2.017 10 40 HECB CC[C@@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 16736179 RFMQLHUSBOCCPR-KWJWQAOWSA-N 404.517 2.098 10 40 HECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(F)c3)C(=N)N21 20211383 QJHKRTMBSSGXHB-KWWXOIQGSA-N 417.447 2.238 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(I)cc2)o1 96193578 VKZYQYSTLUTIAK-UHFFFAOYSA-N 424.219 2.466 10 40 HECB C[C@H](CO)NC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044667 OWKWVHBZYQYTHJ-CMJOXMDJSA-N 418.497 2.285 10 40 HECB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CCN(C)CC2)c1O 22822988 CCBIHBJCQZDRFE-QGZVFWFLSA-N 414.531 2.387 10 40 HECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 408842752 BBSSOIBLODUDNT-WUXMJOGZSA-N 401.306 2.115 10 40 HECB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409211471 NWYYKYAVEKFYCW-LGMDPLHJSA-N 403.504 2.476 10 40 HECB Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(N)(=O)=O)cc32)c(C)n1C[C@H]1CCCO1 59186087 MJTGCIDAMJXZHN-MWJIIQFGSA-N 415.515 2.448 10 40 HECB Cc1c(N/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 102641285 QZEPDKZNIRWCEE-LGMDPLHJSA-N 423.473 2.191 10 40 HECB CN(C)c1ccc(CN2CC[C@@]3(COCc4c3n[nH]c4C(=O)NC3CCC3)C2)cc1 306144004 YTCHYLMTNYZYTK-QHCPKHFHSA-N 409.534 2.432 10 40 HECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1N1CCOCC1 408916272 ATKGTTQJWIDGMC-GHRIWEEISA-N 411.458 2.494 10 40 HECB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 13007939 KAXDLQHRGUFONA-UHFFFAOYSA-N 424.909 2.360 10 40 HECB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)s1 260769654 QFWUIXJZCUUPTF-LBPRGKRZSA-N 409.537 2.211 10 40 HECB COC(=O)/C=C1/SC(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)=NC1=O 1415533 GYOHTTOGTOTQII-KDHUCADRSA-N 417.340 2.173 10 40 HECB CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 16736182 RFMQLHUSBOCCPR-NASPGAHYSA-N 404.517 2.098 10 40 HECB O=C(CCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)NCCc1cnc[nH]1 33542643 ZJXOTGVHIQRMHZ-OQLLNIDSSA-N 404.492 2.499 10 40 HECB COC(=O)c1cc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc(C(=O)OC)c1 100900938 JUJRGZAQNOBANB-NHCUHLMSSA-N 401.415 2.163 10 40 HECB COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)CC2)cc1 44667841 MLOADXHDTYFORZ-KRWDZBQOSA-N 409.486 2.406 10 40 HECB COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 102337967 OSBRTIDBXVTMDC-QFIPXVFZSA-N 423.513 2.196 10 40 HECB CC[C@@H](C)N1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 20533317 CYDPXCLDYSOXNI-COYFKBPASA-N 400.548 2.166 10 40 HECB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 12666194 JMMPQCWKPFHLCB-UHFFFAOYSA-N 403.486 2.227 10 40 HECB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22594402 ONUKICRNEDBYGD-JOCHJYFZSA-N 423.561 2.104 10 40 HECB Cc1cc(C)cc(N2C(=O)/C(=C/NCc3ccc4c(c3)OCO4)C(=O)NC2=S)c1 23528184 FZTLHOYWBKPROX-MHWRWJLKSA-N 409.467 2.454 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33542280 CKMVBGHPRBRUHJ-XFNCEPBJSA-N 422.553 2.095 10 40 HECB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H]1CSC[C@H]1O 54361074 UKDRKUOLPPMLPU-AVWIDUKFSA-N 408.570 2.261 10 40 HECB COCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1C 408896395 YIXFYOZRPOPSSE-SDQBBNPISA-N 424.247 2.497 10 40 HECB O=C(COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1)Nc1ccc(Cl)cc1 409222640 CTDVRCFVKKJIRE-UHFFFAOYSA-N 415.858 2.272 10 40 HECB Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)c1C 409263454 KYDSZRGVGFBFAL-UHFFFAOYSA-N 409.467 2.235 10 40 HECB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)c1 409006021 HAQBBJRLOXCKEX-UHFFFAOYSA-N 407.426 2.446 10 40 HECB COc1ccc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 408621209 LSVUTNZMKZYXIR-UHFFFAOYSA-N 400.460 2.440 10 40 HECB COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(OC)cc3OC)CC2)cc1 7493867 MPQYAFCPVOAFSF-UHFFFAOYSA-N 413.518 2.493 10 40 HECB COc1cc(/C=C2/C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)ccc1OCC(=O)O 96663546 VMPQSXVGCQQYPC-CXUHLZMHSA-N 409.398 2.064 10 40 HECB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(C)(=O)=O 41107982 OLTMBNBVRAAPEO-HGWDMYKUSA-N 408.461 2.063 10 40 HECB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409226591 UYHFABMSXMCOSR-RIYZIHGNSA-N 417.780 2.010 10 40 HECB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)C(=O)N(C)C1=O 575443051 RCMBTGMKWMPBCR-WDZFZDKYSA-N 410.810 2.026 10 40 HECB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(OC)c(OC)c3)nnc2n1 16689852 ZXKKLOQAJWZIQA-UHFFFAOYSA-N 417.495 2.375 10 40 HECB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 5340773 FSKRCBGNCHNPCP-QFIPXVFZSA-N 424.545 2.331 10 40 HECB COc1cccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1OC 13758130 HQFKWXGICVXXDA-UVIKPUKZSA-N 411.457 2.223 10 40 HECB COc1ccc(N2CCN(C[C@H](O)COc3ccc(C(C)=O)cc3OC)CC2)cc1 19909162 PKLCAJDQACFZNN-FQEVSTJZSA-N 414.502 2.468 10 40 HECB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 22998841 VGLJKKZIZFMGCM-JOCHJYFZSA-N 424.545 2.498 10 40 HECB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)c1 408593682 QWXNCSIZCCAKDJ-LICLKQGHSA-N 411.414 2.248 10 40 HECB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccccc3Br)cc2)C(=O)N1 408763184 RPSXRAJQGSBGMZ-UHFFFAOYSA-N 415.199 2.418 10 40 HECB COCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 6348234 RJHGCGUNSWWUHX-QINSGFPZSA-N 405.447 2.422 10 40 HECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)OC 33390109 MCKVSDWPYHMRSO-VMOJBDSFSA-N 410.426 2.487 10 40 HECB CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C)C1=O 13618232 BUVDQMATFAFHHJ-QBFSEMIESA-N 404.517 2.364 10 40 HECB CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 40150316 VMVXASIMSKTKNP-UHFFFAOYSA-N 406.479 2.120 10 40 HECB O=C(c1cc2ccccc2c(CN2CCN(C(=O)C3CC3)CC2)c1O)N1CCOCC1 12790210 RIBHNVIVGZCIQJ-UHFFFAOYSA-N 423.513 2.072 10 40 HECB CCc1cccc2c(C=C3C(=O)N(CC)C(=S)N(CC)C3=O)cn(CC(N)=O)c12 6568192 IQRMUDFFRZWVIB-UHFFFAOYSA-N 412.515 2.068 10 40 HECB CC(=O)[C@@]1(/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O 104123383 SEQHLNPJWFZWSM-IENXAOORSA-N 409.449 2.006 10 40 HECB Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C(C)C)c2c(=O)[nH]c(=O)n(C)c2n1 19662615 YUKSJWABDPGDNV-UHFFFAOYSA-N 421.501 2.021 10 40 HECB O=C(O)CCN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O 20567295 RUNZHYJYFNPERT-ZWIPKHHJSA-N 424.887 2.143 10 40 HECB aggregator CN1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)CC1 22664970 HUQGMPZVOQYHTC-OAQYLSRUSA-N 411.506 2.379 10 40 HECB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 23134907 OICQIIAWQAKDGL-UHFFFAOYSA-N 418.457 2.375 10 40 HECB CCN1C(=O)/C(=C/c2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)NC1=S 409162724 YXZLJHZJNSFEHN-GZTJUZNOSA-N 424.526 2.347 10 40 HECB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 20492910 UKEOLNCQWAKECK-UHFFFAOYSA-N 416.547 2.459 10 40 HECB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C)cc1 4057885 MRNPVKQNNIYESN-SFHVURJKSA-N 418.515 2.205 10 40 HECB C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 4580755 CXSBRJVTNIVWIT-ZKNHNOBHSA-N 400.818 2.339 10 40 HECB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)C(=O)NC2=S)cc1 1197707 SGTXRQJGTSTWOA-RIYZIHGNSA-N 414.439 2.249 10 40 HECB CC(C)[C@@H]1NC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 13115724 WNJRJDCMWAWMBB-BZSNNMDCSA-N 406.413 2.377 10 40 HECB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 15010545 VDXQRZFZLVWUIT-LGMDPLHJSA-N 403.504 2.428 10 40 HECB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 20459836 IUIDZIDGEWBSGD-UHFFFAOYSA-N 423.922 2.478 10 40 HECB CCOc1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC)cc2)CC1 23134839 HAEKOTCYWQGCSJ-UHFFFAOYSA-N 422.489 2.028 10 40 HECB CCOc1ccc(N2CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc1 2352230 QKSVENZMUOWUGN-WQRHYEAKSA-N 410.455 2.100 10 40 HECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361181 BPGMNBSEEWUCRM-BFTHVDOESA-N 403.441 2.149 10 40 HECB COc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)/C=C/C(=O)O)c1O 80316185 JDRDENFPAMJYQC-MVGZEHJDSA-N 410.382 2.448 10 40 HECB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NCCCn1ccnc1 100796081 JTCLMBQNXRWZJY-GXDHUFHOSA-N 407.352 2.049 10 40 HECB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 105740686 ONINEDNLCJGYPR-UBTMQFKDSA-N 401.488 2.169 10 40 HECB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 214313459 JEDJFWFTZFZFAA-GOZVUGRMSA-N 401.488 2.204 10 40 HECB CCN(Cc1cc(Br)ccc1O)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 72304699 GGLZIFNZWCJXFD-GOSISDBHSA-N 424.295 2.224 10 40 HECB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 409226123 SGXCHSQQZLWIKH-NTUHNPAUSA-N 417.780 2.010 10 40 HECB CN(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1 4140118 LISUYWICDWWBQD-MPGHIAIKSA-N 408.380 2.252 10 40 HECB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12537345 BMIHHCQUCBSJIC-UHFFFAOYSA-N 403.504 2.302 10 40 HECB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409267503 NANYLAGRVSCHSE-UHFFFAOYSA-N 423.425 2.079 10 40 HECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N(C)C)ccc21 13008570 COTPOGRUAPTUQR-NRFANRHFSA-N 412.509 2.243 10 40 HECB NC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408552348 RTZUNKNMTAAZND-WQLSENKSSA-N 418.837 2.322 10 40 HECB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 2315619 JHCCZIVQFPAQRU-ZDUSSCGKSA-N 410.382 2.118 10 40 HECB CN(c1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O 224845877 OGVDSBVTBBJQDR-UHFFFAOYSA-N 417.531 2.378 10 40 HECB CCOC(=O)[C@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529578 CAPMGBJOKQSPKQ-CMCWBKRRSA-N 421.497 2.087 10 40 HECB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1ccc(F)cc1 27053328 FETAZDFFQSMPJS-UHFFFAOYSA-N 412.377 2.285 10 40 HECB CCCC(=O)N(CCN1CCOCC1)C1CCN(c2ccc3c(c2)OCO3)CC1 72342238 ZVIQZKVLENBCFB-UHFFFAOYSA-N 403.523 2.345 10 40 HECB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 7988132 FZNQBCUKNPLZDJ-LBPRGKRZSA-N 407.378 2.220 10 40 HECB Cc1nc2[nH]c(C)c(CCC(=O)NCc3ccc4c(c3)CCCN4C(C)C)c(=O)n2n1 19664553 MTPGOAZDYGVOPW-UHFFFAOYSA-N 422.533 2.444 10 40 HECB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2OC)NC1=S 409199076 AZJOFSDOJGZKBP-WMZJFQQLSA-N 419.684 2.342 10 40 HECB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CCOCC3)ccc21 22733557 DNCYRQPQMSTZOL-OAQYLSRUSA-N 413.493 2.387 10 40 HECB O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)NC1CC1 409193881 GUXVRFQNTOXNMZ-WQRHYEAKSA-N 420.469 2.324 10 40 HECB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nnc[nH]2)SC1=S 256055921 ZAJMZLJJYMRXRT-VWLVURMCSA-N 403.489 2.093 10 40 HECB O=C(O)COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 4739019 FPNHGTHBYBCJMF-XFXZXTDPSA-N 400.387 2.120 10 40 HECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccon3)N3CCCCC3)ccc21 9138154 HMDYVHAUDLORGD-IBGZPJMESA-N 411.506 2.339 10 40 HECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 41077729 UILPFQLFFMSDFC-KUHKOJGPSA-N 413.278 2.070 10 40 HECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409003905 MCYWRLAKFWYIJV-VBKFSLOCSA-N 422.397 2.098 10 40 HECB C[C@@H]1CN(c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)C[C@@H](C)O1 643572155 QOWNMLPCTCRUOY-QRVBRYPASA-N 417.550 2.037 10 40 HECB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2nc(N)nc(N)n2)c1C 12527845 ADLNJEXZWPQTOF-UHFFFAOYSA-N 402.842 2.463 10 40 HECB COc1ccc(N2CCCN(CC3CCN(CC(=O)NC4CC4)CC3)CC2)cc1 72338581 CUXKWAQLEFPXHQ-UHFFFAOYSA-N 400.567 2.198 10 40 HECB Cc1cc(N2CCCC2)ccc1CN1CCc2c(O)nc(N3CCOCC3)nc2C1 72347205 LTDFEIIIVSYBFX-UHFFFAOYSA-N 409.534 2.486 10 40 HECB COCCn1nnnc1[C@@H](c1cccs1)N1CCN(c2ccc(OC)cc2)CC1 19594153 HFTNYDUNNMALQQ-LJQANCHMSA-N 414.535 2.301 10 40 HECB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3Cl)CC2)cc1 56997816 KJOCLHMSSSSSCF-UHFFFAOYSA-N 416.909 2.226 10 40 HECB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409396522 YUAXBBJDCKQGIX-LFIBNONCSA-N 422.441 2.365 10 40 HECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1 4675242 XXRRSBZRHCCCKM-RGEXLXHISA-N 406.442 2.055 10 40 HECB CN(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 16735559 AEFUTBXTKBXRNZ-PDGQHHTCSA-N 424.913 2.369 10 40 HECB CCOc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 59139185 NIVNBEQYRSYOLB-UHFFFAOYSA-N 413.293 2.455 10 40 HECB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=S)N(C)C2=O)cc1 408914265 PBWKLVFBRUELAX-LFIBNONCSA-N 409.467 2.269 10 40 HECB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)c(F)c1 19658379 MLZVSGTWUCSTNP-UHFFFAOYSA-N 419.522 2.475 10 40 HECB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(C[C@@H]2CCCO2)C1=O 59417345 YEKRWYLLPMHSMA-OXBCTQFSSA-N 409.236 2.099 10 40 HECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409068601 HHSIXOBLPZSCEL-UHFFFAOYSA-N 422.871 2.022 10 40 HECB COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1 8994233 ULSCXOPBQMEYKJ-WOJGMQOQSA-N 423.425 2.324 10 40 HECB O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10912846 BNESRQRJIMUXMW-QFIPXVFZSA-N 401.422 2.301 10 40 HECB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 12942235 AZFWEWNREJKJFG-UHFFFAOYSA-N 417.896 2.471 10 40 HECB C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 103003761 CXSBRJVTNIVWIT-MFCZKXCZSA-N 400.818 2.339 10 40 HECB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCCN1CCCCC1 1870108 BQWLJCOCRMXJLQ-FBMGVBCBSA-N 404.580 2.470 10 40 HECB C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ccc(N2CCOCC2)cc1 19662585 GUGLHMXJEMOURD-SFHVURJKSA-N 409.534 2.161 10 40 HECB CCN1C(=O)C(=CNc2nn3cc(C)nc3c3ccccc23)C(=O)N(CC)C1=S 6908070 NFGTXJJNZYITQY-UHFFFAOYSA-N 408.487 2.482 10 40 HECB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccccc1F 409103284 GIUZXGIJHPQCAI-UYRXBGFRSA-N 424.432 2.194 10 40 HECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 4473891 ZLNXJYLLTKMSPC-PTNGSMBKSA-N 401.806 2.436 10 40 HECB CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392502 YCHFGHGRVMCZFO-QFIPXVFZSA-N 408.546 2.494 10 40 HECB O=C(O)CN1C(=O)/C(=C\c2cc(I)ccc2O)SC1=S 408733474 YAWRWYNHIIKJTN-RUDMXATFSA-N 421.237 2.283 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1 5098137 QSGWBRQBNBUVDM-NRFANRHFSA-N 420.513 2.302 10 40 HECB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 23134931 YVGVNAFXSIYJRL-UHFFFAOYSA-N 417.473 2.110 10 40 HECB C[C@H](C(=O)O)N1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O 16713044 ROUKNCDQYBCAJR-PJIAVBTGSA-N 416.480 2.045 10 40 HECB CCCCN1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 19995936 BYXAENNGKOBZKK-NBVRZTHBSA-N 400.548 2.168 10 40 HECB COc1ccccc1N1C(=O)C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 32771850 NGDDLNXSYOVGCR-HXUWFJFHSA-N 409.486 2.296 10 40 HECB COc1cc(CN/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1 101084747 CQMDKYGLIFQIBA-PDGQHHTCSA-N 411.483 2.121 10 40 HECB CCCSc1nsc(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)n1 9731037 KPULQZRWJZETRP-UHFFFAOYSA-N 409.537 2.369 10 40 HECB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(N2CCOCC2)cc1 19656945 CUTBPXSAELBDIO-UHFFFAOYSA-N 401.532 2.336 10 40 HECB O=C1/C(=C/NN2CCOCC2)C(O)=NC(=S)N1c1cccc(C(F)(F)F)c1 17180579 FQUWBQOOBBJNGD-FMIVXFBMSA-N 400.382 2.014 10 40 HECB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 408987477 BEFRCDFYTPZUIG-UHFFFAOYSA-N 412.402 2.445 10 40 HECB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 5340938 VTHZCJQIRAHUBA-OAQYLSRUSA-N 424.545 2.331 10 40 HECB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1O 41084276 JWKBLHQWACRJPB-JEBRHCKLSA-N 409.427 2.472 10 40 HECB CCOC(=O)N1CCN(C(=O)/C(=C\c2ccc(N(C)C)cc2)n2ccccc2=O)CC1 9434656 XYUKJFAILQJAMZ-LVZFUZTISA-N 424.501 2.213 10 40 HECB Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 409264084 KQRQWVCDGGCNAV-UHFFFAOYSA-N 409.467 2.235 10 40 HECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 22553968 ROXSVTHVYLYGQN-SSZFMOIBSA-N 405.545 2.061 10 40 HECB CN1CCN([C@H](CNS(=O)(=O)c2cccs2)c2ccc(N(C)C)cc2)CC1 22589503 XWHKEAMQBVAEMV-GOSISDBHSA-N 408.593 2.081 10 40 HECB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409148490 QACAFVHHTFEBJH-FOWTUZBSSA-N 411.458 2.494 10 40 HECB COc1ccc(N2C(=O)NC(=O)/C(=C/NCC3(CC(=O)O)CCCCC3)C2=O)cc1 20622963 LDRVTIUIAWYKBL-VBKFSLOCSA-N 415.446 2.177 10 40 HECB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccc2c(c1)OCCO2 46330317 WZZKCYUESSKQGQ-FQEVSTJZSA-N 404.488 2.172 10 40 HECB CN(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 1451298 MISVXVILXDABTB-WQRHYEAKSA-N 424.913 2.369 10 40 HECB CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)N(C)C1=O 6568859 VQYVBWGTIHILPJ-UHFFFAOYSA-N 422.485 2.478 10 40 HECB CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 19529577 CAPMGBJOKQSPKQ-VKDGWMQASA-N 421.497 2.087 10 40 HECB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138442 DFNOWKHLUIPFFS-NRFANRHFSA-N 400.567 2.484 10 40 HECB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3)N3CCOCC3)ccc21 22735641 XJOMTKLZPUSAMT-OAQYLSRUSA-N 419.522 2.170 10 40 HECB CCOC(=O)c1c(NC(=O)C[C@H](NCCCOC)C(=O)O)sc2c1CCCC2 4939782 LSVHYBFHIINSNG-ZDUSSCGKSA-N 412.508 2.212 10 40 HECB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 32956412 DDOKBUQUBNTDJH-UHFFFAOYSA-N 411.458 2.144 10 40 HECB COc1ccc(N2CCN(C(=O)[C@H]3Sc4nc(SC)ncc4C3=O)CC2)cc1 103118565 FUWONJQZGDZCQV-INIZCTEOSA-N 416.528 2.213 10 40 HECB O=C1/C(=C\c2ccccc2O)SC(=S)N1NC1=NS(=O)(=O)c2ccccc21 9949063 DIWBQRDEDUNGMK-UKTHLTGXSA-N 417.493 2.247 10 40 HECB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)c(C)c1 15012650 ZDEGMJPNGDDFHF-YBEGLDIGSA-N 411.483 2.446 10 40 HECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 72403091 HMPGUQPZZPTSCK-UHFFFAOYSA-N 410.474 2.368 10 40 HECB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NCCc1ccc(O)c(O)c1 5656334 HBWLEXCISCZJAD-UHFFFAOYSA-N 409.533 2.186 10 40 HECB CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7362880 IDRSHIHDEVLKLF-HNNXBMFYSA-N 404.536 2.249 10 40 HECB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1O 6670473 ZVWYQISTHUSJMK-KRWDZBQOSA-N 403.460 2.470 10 40 HECB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 100136013 YBUUNBOANYHOQF-PDGQHHTCSA-N 400.460 2.451 10 40 HECB Cc1cc(C(=O)COC(=O)[C@H](C)NC(N)=O)c(C)n1-c1ccc(OC(F)F)cc1 5694696 NHYNJQVHXYYROT-NSHDSACASA-N 409.389 2.478 10 40 HECB CC(C)N1C(=O)/C(=C/NC[C@@H](CC(=O)O)c2ccc(Cl)cc2)C(=O)NC1=S 20591961 OKRRHWCKDZTSSQ-ZMTLZGASSA-N 409.895 2.024 10 40 HECB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S 409138260 ZDSPIBAOQZXJKS-YBEGLDIGSA-N 401.513 2.331 10 40 HECB Oc1ccc([C@H](O)CNCCCCCCNC[C@@H](O)c2ccc(O)c(O)c2)cc1O 3872807 OXLZNBCNGJWPRV-FGZHOGPDSA-N 420.506 2.016 10 40 HECB world COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33722611 DACZJGMNBADBML-ZSOIEALJSA-N 416.817 2.362 10 40 HECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2OC)C1=O 409221373 PLBKRDLRZVWBLI-HMHNVIDESA-N 406.460 2.130 10 40 HECB CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)O 80345718 JKMBUMQNBJOARJ-MDWZMJQESA-N 411.457 2.225 10 40 HECB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(Cl)nc12 4821871 DVOMDGRMEJCKOB-YFHOEESVSA-N 409.876 2.332 10 40 HECB CN1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2)c2ccc(N(C)C)cc2)CC1 21042752 JFSITQYAUFINEL-OAQYLSRUSA-N 420.554 2.159 10 40 HECB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCCN1CCCCC1 108228427 LZRSVXPBVFKVHO-QBFSEMIESA-N 410.902 2.186 10 40 HECB COC(=O)c1cc(NC(=O)[C@]23CC[C@](C)(C(=O)C2=O)C3(C)C)cc(C(=O)OC)c1 2861920 JUJRGZAQNOBANB-RTWAWAEBSA-N 401.415 2.163 10 40 HECB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3C)CC2)cc1 9126216 OZSYFFGAMGJLRB-UHFFFAOYSA-N 424.530 2.327 10 40 HECB O=C1/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC(=S)N1C[C@@H]1CCCO1 103508793 JKMBXYXFPVOBRR-FTNKJNBNSA-N 417.556 2.148 10 40 HECB O=C1N=C(NS(=O)(=O)c2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1O 6089015 OUCVFBSTUSFGSA-ZROIWOOFSA-N 405.413 2.249 10 40 HECB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1-c1ccccc1 7181330 QEJCLAPNLNTRMB-UHFFFAOYSA-N 413.499 2.389 10 40 HECB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 8874927 BIVPXVJXEYQQLK-UHFFFAOYSA-N 423.425 2.147 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCc2ccccc2)N2CCCC2)cc1 5340915 NHMIGTXTZORDAJ-QFIPXVFZSA-N 408.546 2.365 10 40 HECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O 10961818 NZWORQXMHPHHEW-UHFFFAOYSA-N 406.486 2.339 10 40 HECB CCN1C(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N(CC)C1=S 19996936 XKKDRSLRSZEHGQ-UHFFFAOYSA-N 400.548 2.120 10 40 HECB Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1NS(C)(=O)=O 216944707 YGNYVHPKYVXWSH-UHFFFAOYSA-N 416.547 2.048 10 40 HECB COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 57548422 ADCYNQFFNAQEON-UHFFFAOYSA-N 410.518 2.293 10 40 HECB CCc1nc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631589 KNDWUKZRXYRBJR-RVDMUPIBSA-N 418.479 2.245 10 40 HECB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C)CC3)C2=O)c1 20226845 QFRZCVBDQZLRSH-VKAVYKQESA-N 419.572 2.451 10 40 HECB COC(=O)c1cc2ccccc2c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1O 12820062 JRWLGIHGMIIUFL-KRWDZBQOSA-N 412.486 2.403 10 40 HECB O=c1/c(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 197502989 YENFSPKMGNSCMM-PDGQHHTCSA-N 408.439 2.202 10 40 HECB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C(=O)NC2=S)cc1 409378429 PBVJQXQRZXRRKD-LFIBNONCSA-N 420.494 2.271 10 40 HECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N(C)C)cc1 5340208 RVTYWTFRACWUEI-IBGZPJMESA-N 402.926 2.441 10 40 HECB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC 12609441 GPHJIUPRUPFQJM-UHFFFAOYSA-N 406.504 2.361 10 40 HECB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 12631545 VCCHVYDVXQWSJI-MHWRWJLKSA-N 422.441 2.365 10 40 HECB COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O 16194476 LBHCXJFXHXTHBK-UHFFFAOYSA-N 420.082 2.135 10 40 HECB CN(C)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13535689 WOVCGWUVENZKLD-XTCQQWIJSA-N 416.528 2.141 10 40 HECB COc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)ccc1O 31829108 WUIWMJGKUBDHBR-SFQUDFHCSA-N 424.413 2.385 10 40 HECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)N2CCc3ccccc3C2)cc1 35392518 GPMHLSFROYGXAJ-JOCHJYFZSA-N 406.530 2.247 10 40 HECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)c(C)c3)CC2)cc1 408621774 MFYKXJUBBAUDNC-UHFFFAOYSA-N 403.504 2.473 10 40 HECB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O 409098884 RBDXUJBAGVVIJD-ZHZULCJRSA-N 420.469 2.363 10 40 HECB CN1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2CCc2ccccc2)CC1 20121108 PYUIQSQUPMGDLC-QFIPXVFZSA-N 405.550 2.319 10 40 HECB