smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(C#CC(C)(C)O)cc2)cc1 1101466 ZPMMELRRZIQEGJ-FQEVSTJZSA-N 412.580 4.262 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 2055232 INPLDSGPZUCKLY-OAQYLSRUSA-N 413.514 4.348 30 40 HIEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCO 4028838 JREAFELZSSHHGP-VSYWRSJOSA-N 403.563 4.246 30 40 HIEB biogenic CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 5476032 YBUQNFIVGKJRAA-UHFFFAOYSA-N 409.667 4.390 30 40 HIEB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccc2C#N)o1 7605514 YHHWGPHXQHNNKX-UHFFFAOYSA-N 414.874 4.213 30 40 HIEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)n1 8075967 UFGLGGZEPQVKNH-GFCCVEGCSA-N 401.542 4.075 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2ccc(Cl)cc2Cl)n1 9306351 PRGWMIMAJNQIAR-UHFFFAOYSA-N 401.257 4.018 30 40 HIEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br 12889559 AWQIVYZHJQIWRS-JTQLQIEISA-N 424.092 4.489 30 40 HIEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 44973512 AKPQKEKCLIHQRW-MRXNPFEDSA-N 410.543 4.467 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 72345303 PSCOWWUAUIONJP-RDPSFJRHSA-N 416.565 4.463 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(I)cc1 408739508 CHZIOJZATBCVNS-ZVCOJXFSSA-N 403.223 4.032 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(C)cc2)C1=O 409008429 YHVROYAMCWWZHS-AQTBWJFISA-N 407.491 4.165 30 40 HIEB CC(C)/N=C1\S/C(=C/c2ccc(I)cc2)C(=O)N1C(C)C 409203798 YVXHTDZYBALRPK-WZMAMLOKSA-N 414.312 4.380 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)o1 815800 HUNZAGODPWZEQB-QMHKHESXSA-N 407.466 4.131 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C#N)c1C 996311 UFMGAPVKGZJGOB-CYBMUJFWSA-N 419.934 4.470 30 40 HIEB CCOC(=O)c1cc(C(=O)c2ccc(C#N)cc2)n2ccc(C(=O)c3ccccc3)cc12 2529485 SFVWONLDRCROQK-UHFFFAOYSA-N 422.440 4.450 30 40 HIEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2sc(CC)cc2c1=O 2618562 WSBFLAZUURNLLO-UHFFFAOYSA-N 401.557 4.137 30 40 HIEB Cc1cc(SCCN2C(=O)c3ccccc3C2=O)n2c(nc3ccccc32)c1C#N 4269842 PQHAMXWKJFVKSY-UHFFFAOYSA-N 412.474 4.056 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 4328530 HQVCKHDUVHSNFC-HMXCVIKNSA-N 423.611 4.320 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(C)cc1 4512826 KPDVTEZVTICKPS-UHFFFAOYSA-N 408.458 4.282 30 40 HIEB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 4993961 FRKOWSVMZDFRLU-UHFFFAOYSA-N 408.439 4.063 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C 5538554 WUJZSSWZPOBENQ-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB Cc1ccc(S(=O)(=O)CN/C(=N\C(=S)Nc2ccccc2)c2ccccc2)cc1 6154599 NFVJFZNQQREWSA-UHFFFAOYSA-N 423.563 4.160 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccc(F)cc1 8427977 MQQHXMURFLWUJJ-UHFFFAOYSA-N 415.494 4.287 30 40 HIEB COc1cc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)ccc1O 100297605 XXSSADKIMXVYAN-MRJHHRETSA-N 401.418 4.027 30 40 HIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224812997 UCCZICSEHAYPSD-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OCc1cccc(C(=O)O)c1 408913465 UZFQNVXMQBDTPU-UHFFFAOYSA-N 414.413 4.435 30 40 HIEB CC(C)(C)Oc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409402192 DKFXTISBBBCAES-GVAFMPQTSA-N 407.297 4.312 30 40 HIEB COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3F)n2)c1 968851 OGUJNXBVXMXVHU-UHFFFAOYSA-N 421.497 4.219 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)c(C#N)cc2c1 1354879 OLZMUZYNNVWUSQ-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 2447557 FFUHIMIFPYQMQC-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB CCOC(=O)c1cnn(-c2ccccc2)c1/N=C/c1cc(Br)ccc1O 3017001 BAPKYNXHZXLFJY-SRZZPIQSSA-N 414.259 4.268 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC 4919318 VIDAJWHJCDKWMS-OFNKIYASSA-N 410.466 4.032 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 5988085 NHVZBCFWCROFPM-QGZVFWFLSA-N 406.265 4.218 30 40 HIEB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sccc1C#N 7362264 RUGIJUCESUXFSG-ZDUSSCGKSA-N 409.540 4.256 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8049367 GDBQGKJKYWSEFW-UHFFFAOYSA-N 422.934 4.090 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C(=O)OC)cc1 12464690 IXMFLEGNLILZLL-NMSSZPRHSA-N 410.495 4.414 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 18210862 PVWXDVYDYAKGIA-GOSISDBHSA-N 405.841 4.221 30 40 HIEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 40140031 ABNPXOJMETZVHR-ONNFQVAWSA-N 423.387 4.005 30 40 HIEB CCCCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102886054 CTLBMGMBDRSSHV-NHFXJNLRSA-N 422.437 4.381 30 40 HIEB C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 724266 ZRXLLAYHXHUGLW-WORIPGKHSA-N 400.548 4.176 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 832534 GGQKIELXFFTBLN-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 2620037 YOWKBAKKLACVMZ-JOCHJYFZSA-N 411.575 4.462 30 40 HIEB CCOc1cc(Cl)cc(/C=N/c2ccc(N3CCN(C(=O)CC)CC3)cc2)c1O 4121386 DWJGTQNOXVWOKB-BUVRLJJBSA-N 415.921 4.254 30 40 HIEB C=CCNC(=S)N/N=C/c1ccccc1OCCOc1ccc(C(C)(C)C)cc1 4547252 LXOYEQOVHFZKQI-KOEQRZSOSA-N 411.571 4.426 30 40 HIEB C=CCn1c(SCc2cn3c(C)cc(C)nc3n2)nc2sc3c(c2c1=O)CCC3 9403808 NBUVOUOHBAHEMB-UHFFFAOYSA-N 423.567 4.085 30 40 HIEB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 12750471 TZYXOXRKPDAJOU-OAHLLOKOSA-N 424.522 4.450 30 40 HIEB O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 15188759 IVBLMNULGYCEJC-PNHLSOANSA-N 414.484 4.073 30 40 HIEB CCN/C(=N\c1ccccc1OC)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 18164360 CMMZVUGQOLOMBW-KRWDZBQOSA-N 417.918 4.011 30 40 HIEB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 19227904 RYEXRWJWKORFFP-NRFANRHFSA-N 413.514 4.259 30 40 HIEB Cc1cc(C)c(S(=O)(=O)NCCCNc2nc3ccc(C)cc3cc2C#N)c(C)c1 35313091 NBDZYYWDAZUKDN-UHFFFAOYSA-N 422.554 4.121 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102401884 QTIJXPOVLWVMBK-RXTQHAMCSA-N 405.494 4.411 30 40 HIEB CO[C@]1(/C(C)=N/O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918649 FRVKEWVTLSYVMG-VVJJOSPHSA-N 419.562 4.087 30 40 HIEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 408858633 ZQYSJYDCACPVLJ-MSXFZWOLSA-N 420.421 4.028 30 40 HIEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 409094752 FVMIDPIVGWWXJD-DNTJNYDQSA-N 414.296 4.072 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(F)cc1 1531186391 YTGBZKRKCZPRDJ-JJFYIABZSA-N 402.267 4.478 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)c(C)c1 1433804 LYCGCGJQFRSKOJ-AYIBLLACSA-N 407.469 4.053 30 40 HIEB biogenic COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 1446544 KYNISLDGEBSIKY-NRFANRHFSA-N 418.424 4.008 30 40 HIEB CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 4699908 MLSQYJGRYJIWJR-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB C=C(C)C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccccn1 6313091 MNLIQYRWIXXGSB-WVFSLUGESA-N 408.527 4.378 30 40 HIEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 7601883 VRGZOZPNFBYYFZ-UHFFFAOYSA-N 417.872 4.241 30 40 HIEB CCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828864 IINQLKYOTPZVJP-KRWDZBQOSA-N 400.891 4.144 30 40 HIEB C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC 40127432 PNFXYRSGJLBWPG-UHFFFAOYSA-N 412.471 4.219 30 40 HIEB C#CCN1CCC(C(=O)Nc2cc(-c3ccc(C)cc3)sc2C(=O)OCC)CC1 72277299 GFSATPWSZVHFGK-UHFFFAOYSA-N 410.539 4.184 30 40 HIEB N/C(=N/OCc1cc(-c2ccc(Cl)cc2)no1)c1ccnc(N2CCCCC2)c1 84419419 PCCXBPPMJGSELH-UHFFFAOYSA-N 411.893 4.217 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccccc3Cl)c1)[C@H]1C=C[C@H]2CC1 100237022 BGFMZHZMLGPJJN-WXAOVAFWSA-N 420.896 4.450 30 40 HIEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 102369190 GKFATLNNKCFTPW-MRJHHRETSA-N 418.449 4.084 30 40 HIEB C[C@H]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c(C#N)cc2C1 215712397 NZLXXKHFOJWCAZ-NSHDSACASA-N 406.433 4.223 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)o1 409309688 KXVOFCUKJRPMCU-LBPRGKRZSA-N 417.307 4.214 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)[nH]c1C 409325452 YQLIVGYLFVTWLJ-UHFFFAOYSA-N 401.308 4.329 30 40 HIEB N#CCn1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409402659 IRKSQCVTMCOSRG-UHFFFAOYSA-N 403.445 4.424 30 40 HIEB O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 853310 RKOXSZHJAQNBAY-HYARGMPZSA-N 420.450 4.135 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)c(C)cc3C)nnc12 3597407 GZSZYSXQDONGIE-UHFFFAOYSA-N 418.522 4.130 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1 4700700 RWCSFMJOBUBZGP-MAVBTGMRSA-N 409.511 4.150 30 40 HIEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 5923883 QHUPJFKVRBAYIF-HNNXBMFYSA-N 401.919 4.490 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 8715657 MXMYZLUFUVDVGX-HXUWFJFHSA-N 421.884 4.193 30 40 HIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1nonc1N2 12408476 HXCJKMHYFJPUII-BFUOFWGJSA-N 408.845 4.408 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)OCc3csc(-c4ccsc4)n3)CC2)nc1 22520015 OVPIGWVYGSJAFI-UHFFFAOYSA-N 410.524 4.098 30 40 HIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1cc(Cl)cc2c1OCOC2 29781776 CPJTXJPCJGFPGS-UHFFFAOYSA-N 408.237 4.278 30 40 HIEB CCC(CC)C(=O)/N=C(\NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1 65166419 HAUHEIUZQNQZCZ-UHFFFAOYSA-N 406.534 4.138 30 40 HIEB N#Cc1ccc(NC(=O)CCN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1Cl 79053391 ZKOONLKTHHBLOC-NRFANRHFSA-N 423.900 4.369 30 40 HIEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224292541 GMLLCNYHYPDBFP-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408808132 DSZXSSFPNICWPF-ATVHPVEESA-N 413.296 4.353 30 40 HIEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409354952 AVXIZBGZCLLFHK-UDWIEESQSA-N 413.458 4.386 30 40 HIEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl 4680899 DORWPSXQVJJCFH-JJXNMMKVSA-N 405.882 4.378 30 40 HIEB COc1ccc(/C=N/Nc2c(Cl)c(Cl)nc(C(=O)O)c2Cl)cc1OC 5416916 NURDFHNEYUJZLR-KPSZGOFPSA-N 404.637 4.203 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccs1 5488584 QUIXAACPIIRBTO-SELCWUDQSA-N 418.946 4.165 30 40 HIEB N#CCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 7854676 CYWYNVSVAUTCBQ-UHFFFAOYSA-N 402.841 4.480 30 40 HIEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1Cl 14387188 CYQKPLMTPOCXRH-CYBMUJFWSA-N 403.313 4.354 30 40 HIEB COc1ccc(CN/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1OC 20196237 NEMZQUCXMJAOJQ-AFUMVMLFSA-N 422.485 4.452 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccc(F)cc1 32579532 ISMPKMAELCXREN-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 32955552 FPNWHWIZAOUCRX-UHFFFAOYSA-N 409.486 4.350 30 40 HIEB O=C1[C@H](O/N=C/c2ccccc2OC(F)F)CCN1c1ccc(C(F)(F)F)cc1 72282329 ADILLRWJNQEFPP-FVWOBLMASA-N 414.330 4.463 30 40 HIEB C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 101287974 UGGBQAUWDUCAJN-HOGKFDNTSA-N 412.445 4.273 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102882410 BIHSNZDLVCXUDC-SELCWUDQSA-N 410.882 4.418 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c2ccccc21 408775708 JHVDUDPOPRMDQI-JAIQZWGSSA-N 419.506 4.323 30 40 HIEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC#N 408786708 UWUPCACMBGSNKI-FQWPPLDYSA-N 405.523 4.479 30 40 HIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(OC)c2OC)S1 408867957 KVMWZKKBQRHHJD-SXGWCWSVSA-N 404.875 4.257 30 40 HIEB C#CCOc1c(I)cc(CNc2ccccc2CC)cc1OC 409110242 ADVJNQAXKYFPPF-UHFFFAOYSA-N 421.278 4.486 30 40 HIEB COCCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=Nc1ccccc1 409384098 ARGRJKOWFQUTHY-XOLKAKTPSA-N 416.506 4.415 30 40 HIEB CCN1CCC[C@@H]1CNC(=O)c1ccc(Oc2cncc(C#N)c2)c2ccccc12 685937801 SHULZDNFVZJWEU-GOSISDBHSA-N 400.482 4.113 30 40 HIEB CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OCC#N 1531382724 IVMHOSCHVNAVSO-WPWMEQJKSA-N 424.460 4.247 30 40 HIEB COc1ccc([C@@H](C#N)Cc2cc(OC)c(OC)cc2Br)cc1OC 2266603 FTSDHBCSXQKJCU-CQSZACIVSA-N 406.276 4.333 30 40 HIEB CCCCCCCCOCCNC(=O)c1ccc(I)cc1 3153213 LRUWLASITWSQEY-UHFFFAOYSA-N 403.304 4.398 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 4328532 HQVCKHDUVHSNFC-CEWLAPEOSA-N 423.611 4.320 30 40 HIEB CCCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccccc2)c2cc(Br)ccc21 4554719 INLUOOMXUZXHDE-IZUALYBUSA-N 414.299 4.066 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccc(F)cc4)nc13)O2 5347460 MNMFMNWMGBECNG-IBGZPJMESA-N 412.424 4.462 30 40 HIEB CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265790 XECGWIOWCYSDCF-FQEVSTJZSA-N 406.413 4.467 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6784130 FHCACVMMYAAVTJ-NRFANRHFSA-N 403.434 4.457 30 40 HIEB COc1cccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1 8492507 NLDIKFZAZZWZBK-UHFFFAOYSA-N 416.525 4.104 30 40 HIEB CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 8827569 UDCQHKSPVXWESK-FQEVSTJZSA-N 422.437 4.456 30 40 HIEB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC(=O)Nc1sc2c(c1C#N)CCCC2 19596831 ZQDZRVATCIHPBT-BOPFTXTBSA-N 423.473 4.066 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCCC[C@H]21 40090218 ISLXMFQVKLAGHO-NVXWUHKLSA-N 421.335 4.279 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccc(O)c2)sc1C 102929068 NEEXVPYDMJVQJA-IBOXJLQUSA-N 412.492 4.153 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl 408812808 NMCGLJSLBPKCDV-LFIBNONCSA-N 410.857 4.188 30 40 HIEB Cc1cc(-c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)c(C)s1 10520903 SJBUHZSLUHDRHB-UHFFFAOYSA-N 412.540 4.237 30 40 HIEB N#C[C@@H](c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 32765209 SNXTWYBXTJIJAP-IBGZPJMESA-N 410.474 4.162 30 40 HIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2ncccc2c1=O 32885501 NXJFMGQNLUUFMU-UHFFFAOYSA-N 408.527 4.140 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1CC 59104699 VAXCZZLAWCDUIS-DPBNUBQISA-N 411.483 4.486 30 40 HIEB CC1=CC(=O)C(Cl)=C(C)/C1=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 101028283 BSQLJUUTDYIBAW-GKXZNNNVSA-N 412.898 4.305 30 40 HIEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)C1=O 2096273 IYAOGRVLVMBETK-DHLKQENFSA-N 413.521 4.162 30 40 HIEB biogenic O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1cccc2ccccc12 2195442 BMAXXBIKFSPLLP-UHFFFAOYSA-N 401.447 4.237 30 40 HIEB CC1(C)C/C(=N/Cc2ccccc2)c2cc(C(=O)NCc3ccccc3)c(=O)[nH]c2C1 10339447 KADFKVOBRRKKNF-QYQHSDTDSA-N 413.521 4.267 30 40 HIEB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ccc(C#N)c(Cl)c1 12905759 SVFAFJZPAXUNKG-PLWJUESGSA-N 405.841 4.343 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@@H]1c1ccccc1F)c1ccccc1 5491361 SUMNRIOHKCTGNC-JOCHJYFZSA-N 417.436 4.352 30 40 HIEB CC(C)Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1F 6538070 ITTXYHNJSUFJEW-UHFFFAOYSA-N 409.490 4.343 30 40 HIEB C[C@@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 8991535 OKCNWBDKJUXBBA-PNZWGNKRSA-N 420.490 4.226 30 40 HIEB COc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)S1 408721568 UDEVNICUHZETAX-UYRXBGFRSA-N 420.450 4.286 30 40 HIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S1 409104924 LGXNCLDDRGQFEW-UNOMPAQXSA-N 413.930 4.377 30 40 HIEB COc1ccccc1COc1nn(Cc2ccc(Cl)c(Cl)c2)c(N)c1C#N 225847338 ZIGIMGDSCVHJGX-UHFFFAOYSA-N 403.269 4.280 30 40 HIEB C=CCN(Cc1coc(-c2ccc(OC)cc2)n1)S(=O)(=O)c1cccc(Cl)c1 40050360 YSHNYDVGEBESSX-UHFFFAOYSA-N 418.902 4.381 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C2/Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2)cc1 16309063 QMADYPCIVBSICM-FQEVSTJZSA-N 411.914 4.498 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S1)C2 6257800 IQUGJIVYYGPFAC-FIPDDVKNSA-N 401.507 4.188 30 40 HIEB CC1=C/C(=N\C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C(Cl)=C(C)C1=O 5500577 KADLRUSSAGDAFN-OPJQMOIKSA-N 412.898 4.305 30 40 HIEB CCOc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 4541153 GLGAOCHWYMMJHC-NRFANRHFSA-N 419.433 4.162 30 40 HIEB N#Cc1nc(-c2ccc(Br)o2)oc1NC[C@@H]1CCCN2CCCC[C@H]12 32124439 IDISSHSNVRCLKY-GXTWGEPZSA-N 405.296 4.245 30 40 HIEB biogenic Cc1ccc(S(=O)(=O)N/N=C\C23C4c5ccccc5[C@H]2[C@@H]3c2ccccc24)cc1 105026606 COUAMXYFPQBXNB-NQQQDPSSSA-N 400.503 4.286 30 40 HIEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 105509227 MGPDLCOQQZHUCA-VXLYETTFSA-N 411.330 4.426 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccccc1F 3395358 VLUDJDRINVACHU-UHFFFAOYSA-N 408.502 4.490 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(C)o2)C1=O 409054259 TZHSAXWHPJAYCS-GDNBJRDFSA-N 417.870 4.103 30 40 HIEB COCc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)c1C#N 409208858 DROAKNRKEBBIPB-MXAYSNPKSA-N 403.486 4.270 30 40 HIEB COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 5527076 DQHSSEBQPVXARH-QGDWSKEDSA-N 402.450 4.464 30 40 HIEB CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3)n2C)C(C)(C)c2ccccc21 6619200 HIBCLXWJYPRJLD-ZHZULCJRSA-N 404.539 4.455 30 40 HIEB CCOc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(N3CCCCCC3)cc2)cc1 5688619 VQOVTPJYYIHJBX-PTGBLXJZSA-N 415.559 4.168 30 40 HIEB COC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br 409309768 MEJCLOCOHMPALY-SXGWCWSVSA-N 405.269 4.330 30 40 HIEB N#CCCn1ncc(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)c1-c1ccccc1 560834727 UYVWVSCGWINNAF-HSZRJFAPSA-N 424.426 4.453 30 40 HIEB C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 5091997 HLIJUTRTSWJLDG-CMKODMSKSA-N 414.509 4.463 30 40 HIEB CCOc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C3CC3)nc3ccccc32)cc1 3490910 JIFYQMBGZIJCEK-HSZRJFAPSA-N 420.538 4.325 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5931320 ITVFMEDENRGAKJ-MLGOLLRUSA-N 410.543 4.256 30 40 HIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2Cl)S/C1=C/c1ccccc1[N+](=O)[O-] 8427423 SVURYUCWILXNAZ-GFOZJHCUSA-N 421.265 4.496 30 40 HIEB CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O 9052187 ZLZMMVCRWHOSHP-IDUWFGFVSA-N 403.228 4.331 30 40 HIEB N#Cc1cccc(S(=O)(=O)N(CCOc2ccccc2Cl)c2ccccc2)c1 12733731 ZJXBNNPCKZEFCI-UHFFFAOYSA-N 412.898 4.486 30 40 HIEB C/C(=N\OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccs1 17185913 QGAQPVBVHZOOKX-PCLIKHOPSA-N 407.495 4.057 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1OC 18196486 CBVRYVMPFJTPFE-SGTLLEGYSA-N 423.494 4.152 30 40 HIEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 59400061 CDXLRYGGOISJRZ-HZHRSRAPSA-N 407.426 4.451 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 102928896 QWIYDMQGHKVWSF-MRJHHRETSA-N 400.434 4.025 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220545228 QVEBHWFCXRPOQB-FQEVSTJZSA-N 416.543 4.052 30 40 HIEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409280242 JTASFJDXKPCLJA-UHFFFAOYSA-N 406.442 4.243 30 40 HIEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)cc1CN1CCOCC1 2739710 OBYPOFIQWLVKGF-FRQJIFLKSA-N 409.555 4.336 30 40 HIEB COc1ccc(N2CCN(c3oc(COc4cccc(Cl)c4)nc3C#N)CC2)cc1 4074951 FTLVXHICMYWMQU-UHFFFAOYSA-N 424.888 4.114 30 40 HIEB Cc1ccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)cc1 6367183 KSARKJVBPOKQMA-UHFFFAOYSA-O 405.499 4.105 30 40 HIEB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4ccccc4C#N)cc3C2=O)c1 6886728 AGUXDOIIOBBYDK-UHFFFAOYSA-N 410.429 4.333 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1CC 8088435 SCERKONKHPXYJO-UHFFFAOYSA-N 422.554 4.357 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccc(F)cc2)cc1 12391085 IALFTBQCBIGBPX-VBKZILBWSA-N 406.417 4.197 30 40 HIEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OC(=O)N3CCOCC3)ccc21 13758294 JPQNGZMXECIPNT-WQRHYEAKSA-N 420.248 4.441 30 40 HIEB C=C(Cl)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 18274340 RJTZWZZTUGTZPN-UHFFFAOYSA-N 412.294 4.001 30 40 HIEB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N(C)C3(C#N)CCCCC3)cs2)cc1 18529765 RPXTXOWIRBYZRN-INIZCTEOSA-N 411.527 4.349 30 40 HIEB O=C1C(O)=C(c2ccccc2)[C@@]12CS[C@]1(CS2)C(=O)C(O)=C1c1ccccc1 28087504 ODTMCQFJRBEHHM-VXKWHMMOSA-N 408.500 4.048 30 40 HIEB COc1ccc(/C=C2/N=C(SCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 33684042 BJJAQJBAXOUXFV-GZTJUZNOSA-N 413.886 4.358 30 40 HIEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489191 UATIHDJPINRDKI-VWLOTQADSA-N 416.496 4.441 30 40 HIEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932789 QIZJMFPOMOBGGR-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(CC)cc2)C1=O 409055222 XOHRBSMFBBEIAY-JXAWBTAJSA-N 407.491 4.111 30 40 HIEB CCCC(=O)[C@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccs1 812544 SDBVXRYSOMHOFK-UTKZUKDTSA-N 417.552 4.245 30 40 HIEB N#Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2 869788 ZVNNUMODBYHNGB-UHFFFAOYSA-N 408.449 4.231 30 40 HIEB CCN(CC)C(=O)COc1ccc(/C(C)=N/Nc2ccc(C(F)(F)F)cn2)cc1 6569885 KSNVGSLCDWPOCR-AFUMVMLFSA-N 408.424 4.184 30 40 HIEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c1C 9315889 MATFREXNICULNL-VOTSOKGWSA-N 422.275 4.181 30 40 HIEB CC(C)CNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828798 KACYFWAQSXTGEK-SFHVURJKSA-N 414.918 4.390 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1cccnc1)CO2 54333115 KKVSCXOMNVODEI-FBHDLOMBSA-N 402.425 4.497 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 100557898 XREZHCRBWZQGBU-RTBURBONSA-N 407.271 4.235 30 40 HIEB CCc1ccc(S(=O)(=O)/N=C2/S/C(=C\c3ccccc3F)C(=O)N2CC)cc1 100974284 RPVBXGGZIBQJIK-YISMEOAQSA-N 418.515 4.069 30 40 HIEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 614719439 DZLBICYYVLVHGX-SANMLTNESA-N 422.488 4.031 30 40 HIEB Cc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 5603322 IQQGUFYISPPRDD-VXLYETTFSA-N 403.305 4.473 30 40 HIEB COCCn1c(C)cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1C 6201896 UAAKYKOYVZNWQT-PCLIKHOPSA-N 400.482 4.010 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3sccc3C#N)cc2)cc1 6651936 WZQFAOZNXJIUIL-UHFFFAOYSA-N 411.508 4.006 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c1 13653835 KQFQRBSHCLVXKL-XKZIYDEJSA-N 409.482 4.258 30 40 HIEB biogenic COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 19227901 RYEXRWJWKORFFP-OAQYLSRUSA-N 413.514 4.259 30 40 HIEB C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)N1CCCCC1 24830750 AXWUHYNQANDBBH-HNNXBMFYSA-N 408.506 4.371 30 40 HIEB C=CCn1c(SCC(=O)OC(C)(C)C)nc2c(-c3ccccc3)cn(C)c2c1=O 33274012 FKMTZNKAHRNGEH-UHFFFAOYSA-N 411.527 4.022 30 40 HIEB CCc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C#N)cc1 34791598 NSXJDDAYSGPTHV-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 52660521 MBMAHPOTOBGHEW-AWEZNQCLSA-N 411.527 4.489 30 40 HIEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCOCC2)cc1 225781383 IKQLOFHQNCDFSN-UHFFFAOYSA-N 408.498 4.289 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 2213277 JSBRSFPMIYEVEP-VLZBMTSBSA-N 411.527 4.292 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 2447236 DVUUWABSSDMYKE-UHFFFAOYSA-N 416.453 4.052 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2621427 KOVUCAFCZGNYJC-JOCHJYFZSA-N 423.517 4.220 30 40 HIEB CCOC(=O)[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N)C(C)=O 4451079 GSXVHNDGFWEXGG-MRXNPFEDSA-N 408.401 4.252 30 40 HIEB C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1 8867779 BECUHDHSFISUPR-QFIPXVFZSA-N 419.477 4.330 30 40 HIEB N#CCc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 14200923 FVZKVDRHTNVDGR-HTAPYJJXSA-N 410.564 4.263 30 40 HIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1nc(-c2ccccc2)cs1 17209077 MBNHILSUMVHXEI-UHFFFAOYSA-O 419.505 4.290 30 40 HIEB aggregator C=CCc1cc(/C=N/NC(=S)NCC)cc(OC)c1OCc1ccc(Cl)cc1 33740989 AESXNSAQCRCLOD-ZMOGYAJESA-N 417.962 4.474 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC(F)F)cc1 36633732 MKJITYLCTKQFTR-GOSISDBHSA-N 411.404 4.420 30 40 HIEB CC1(C)Cc2ccccc2C(/C(=N\O)C(=O)Nc2ccc(Br)cc2)=N1 100098749 PGWBFYOEFXENIZ-HAVVHWLPSA-N 400.276 4.042 30 40 HIEB O=C1[C@H](Cc2cccc([N+](=O)[O-])c2)S/C(=N/N=C/c2ccco2)N1c1ccccc1 100482140 ZZZFFCFVIRGLEX-SQULJVTFSA-N 420.450 4.269 30 40 HIEB Cc1c(Cl)cccc1/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 146008857 VKNGKEIBNHQMCE-FSJBWODESA-N 401.919 4.454 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 409141110 UESFKUKBPDVLOZ-SFQUDFHCSA-N 413.271 4.107 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 2055231 INPLDSGPZUCKLY-NRFANRHFSA-N 413.514 4.348 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(C(=O)O)cc1 2695083 JBYWIBYIOLGIPV-WIQPNEMMSA-N 409.423 4.083 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 5887519 XEDNLLASPXYBHX-QFIPXVFZSA-N 417.436 4.352 30 40 HIEB N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 7006676 WDEPLFARMJQCEP-UHFFFAOYSA-N 400.887 4.169 30 40 HIEB CCOc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7462582 OQLMZYABPRUYME-KRWDZBQOSA-N 421.522 4.352 30 40 HIEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)nc1C 11917047 WCSOXAGWUSCKRO-UHFFFAOYSA-N 401.419 4.149 30 40 HIEB COCC[C@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 97095267 JDSBJGYTIYDWDC-HXUWFJFHSA-N 408.546 4.043 30 40 HIEB O=C(O)COc1ccccc1/C=C1/SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O 408749659 RXBYPRVHDSNQLG-VIZOYTHASA-N 423.277 4.348 30 40 HIEB Cc1cc(/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)ccc1I 408847826 SKPJQBZDBDKFRO-FGHSJCFPSA-N 409.223 4.202 30 40 HIEB CCOc1cc2c(cc1/C=N/c1ccc(I)c(C)c1)OCO2 409102255 YGJXTQFKEPJOLI-DJKKODMXSA-N 409.223 4.478 30 40 HIEB C#CCOc1ccc(C[C@H]2S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1 409147563 XJCNBHRVZSRVQK-VANSDEMISA-N 408.523 4.291 30 40 HIEB COc1cccc(/C=N\c2ccc(O)c(C(=O)O)c2)c1OCc1ccc(C(=O)O)cc1 409186746 HJBCGGINMGBTKC-MSXFZWOLSA-N 421.405 4.127 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)S/C1=N/c1ccc(F)cc1 409230334 CBFIFSSYAQKRJW-LLVAADQXSA-N 416.474 4.475 30 40 HIEB CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(I)c1O 409371250 GNLLDVMOZPQIQP-NTUHNPAUSA-N 406.219 4.218 30 40 HIEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21 2406090 RAXPTKLKBZLPKT-ZDLGFXPLSA-N 420.248 4.441 30 40 HIEB COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 4171295 VDMDBLGRFQCHFD-GOSISDBHSA-N 416.271 4.255 30 40 HIEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 4786032 GQLMZKTZITWTDI-UOTXIEAASA-N 403.485 4.425 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1OC 4945091 KPMIMPIPSWSKEH-HXOBKFHXSA-N 416.481 4.019 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C)c1 5869384 WIVWBEBCDWMFRR-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB C=CCN(C(=O)COC(=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 6055931 RHGDEXSHKBBCHV-UHFFFAOYSA-N 408.479 4.195 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccs1 6691031 OHKWUMRDWBXIFC-YOEHRIQHSA-N 403.887 4.159 30 40 HIEB CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 6781937 NFPJVFULVVBNGA-OAQYLSRUSA-N 418.449 4.240 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(OC)cc2)cc1 16741316 HWBLHMLUBPOWJX-NRFANRHFSA-N 405.450 4.024 30 40 HIEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 18197521 GVDVBFWOYUYOKB-OAQYLSRUSA-N 423.465 4.339 30 40 HIEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(C#N)cc2)cc1OC 20196302 RDOJVRNHTXNYJK-JVWAILMASA-N 401.466 4.278 30 40 HIEB CCOC(=O)c1cc(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)nc1C 24765909 YYEHFAKHFOPMDA-UHFFFAOYSA-N 414.874 4.434 30 40 HIEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC(=O)c3ccco3)c(OC)c2)cc1 28627889 NIQOXIFGTJYDFT-IZZDOVSWSA-N 408.406 4.421 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2cccc(C)c21 32102551 QWJBLBLJOFHPTD-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB C[C@H](O/N=C(/N)c1ccccc1CN1CCCCC1)c1nnc(-c2ccccc2)o1 72311206 MENABGUXNVAINC-KRWDZBQOSA-N 405.502 4.121 30 40 HIEB COc1cccc(/C=N/c2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)c1O 98086965 OXCOMPCDKPXSTL-LSFURLLWSA-N 419.388 4.336 30 40 HIEB C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 102735402 MRLZDWLIWGYDFI-CBLITQMPSA-N 415.445 4.225 30 40 HIEB CC(C)(C)OC(=O)n1c(B2OC(C)(C)C(C)(C)O2)cc2ccc(Br)cc21 199596324 LFIDMAGNCYCDBT-UHFFFAOYSA-N 422.128 4.486 30 40 HIEB C=CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)s1 225855126 IHMXTMCKWGILEU-CQSZACIVSA-N 408.980 4.320 30 40 HIEB Cc1ccc(Cl)cc1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409340877 BIHDDTARMCJROB-UHFFFAOYSA-N 406.873 4.354 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)C1=O 409394399 ZYKKORBNOGMZOR-ODLFYWEKSA-N 422.462 4.292 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C#N)cc2c1 1354844 MQZSTSKTRRLGKS-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB CCC(CC)=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 5408257 BTYYYLDIYUJWFO-CYBMUJFWSA-N 401.319 4.086 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(OC)c(N/C(S)=N\c2cc(C)ccc2C)c1 8687857 KLTHGSYQYYUSMJ-UHFFFAOYSA-N 421.588 4.372 30 40 HIEB CC(=O)c1ccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)cc1 12324951 LAKYGESVOJARLE-UHFFFAOYSA-N 421.497 4.148 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CC(C)C 13689218 ZNZXGXGDLNNQHS-UHFFFAOYSA-N 404.532 4.117 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 19015673 UHCVGDONXZSCEC-SANMLTNESA-N 402.538 4.217 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nc(C(C)C)n[nH]2)n(-c2ccc(F)cc2)c1C 22187405 DODDBYVZNLNKEE-UHFFFAOYSA-N 412.494 4.077 30 40 HIEB N#Cc1ccccc1NC(=O)CN1CCN(Cc2sc3ccccc3c2Cl)CC1 22822038 QFQKSGSNCJZAKC-UHFFFAOYSA-N 424.957 4.183 30 40 HIEB O=C1Nc2cc(Br)ccc2/C1=C1/Nc2cc(Br)ccc2C1=O 100352537 JCKVHZFGTVQBJM-YPKPFQOOSA-N 420.060 4.183 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218498907 AXGRQVBVMOVQIA-CEXWTWQISA-N 410.322 4.480 30 40 HIEB C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224615604 JKUOEILSRUPVEL-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)ccc1O 408754957 XGNOBEZEDZCXEX-LZYBPNLTSA-N 419.846 4.244 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 4616940 NYHPTIGRDFLSOR-JFMUQQRKSA-N 404.386 4.395 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](C)CC2=O)N1 4802952 CQJJNDWWVWJGAC-WHEQGISXSA-N 405.473 4.382 30 40 HIEB COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC 5443432 LUYAWLGSNBICTA-NDENLUEZSA-N 406.390 4.441 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 5556845 OYWQZBASPHQYMB-ZDUSSCGKSA-N 400.525 4.273 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1sccc1C 8346019 FNHPSMXSJPMJDN-CQSZACIVSA-N 417.556 4.203 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 8365499 QICKMAOZUGSFIB-HNNXBMFYSA-N 413.572 4.248 30 40 HIEB C=CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1Br 18192566 UDRQYXXZMWEOJX-SSDVNMTOSA-N 415.291 4.181 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)C2CCC2)C1 19015711 HVIMERCEPSADAV-AREMUKBSSA-N 417.553 4.002 30 40 HIEB Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CC(C)(C)C2 24506978 OVEKURHFUOVUOU-UHFFFAOYSA-N 402.416 4.279 30 40 HIEB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)cc1 26456629 RMYOMFWUNSQUID-IQMFZBJNSA-N 417.509 4.251 30 40 HIEB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccc(C#N)cc2)CC(O)=N3)c(OC)c1 44922177 QOECWULOVNCQGL-INIZCTEOSA-N 417.421 4.188 30 40 HIEB N#CCCSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 95944770 LGDYNTUNABOUDT-UHFFFAOYSA-N 414.552 4.418 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1)S(C)(=O)=O 218392857 TUFGSPBWAOPDLJ-OAQYLSRUSA-N 400.544 4.137 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222362784 YBNSKGUKYSIPSP-QCWBXHEQSA-N 400.478 4.014 30 40 HIEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C(=O)O)cc2)NC1=O 408809583 HCSCQIVPRIVRSE-YBEGLDIGSA-N 402.859 4.329 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1C 4631400 DXTHVUIRMCTZTL-QHCPKHFHSA-N 419.525 4.266 30 40 HIEB O=C1[C@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 5410148 ONNIODYAAGZTQN-HHKSSKBBSA-N 407.470 4.496 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)Nc1ccccc1 12320976 NRUCIBZFPFTGGX-XWAFYUISSA-N 406.558 4.444 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714871 BZRFDEQLHJMGNW-LJQANCHMSA-N 422.934 4.088 30 40 HIEB COc1ccnc(Oc2ccc(F)cc2)c1C(=O)/N=C\NOCc1ccc(F)cc1 13858375 GJMDCMYSXDOFSK-UHFFFAOYSA-N 413.380 4.051 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 17160512 GVMCKZDGEGXDPD-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB CCOc1ccccc1NC(=S)NCCNc1nc2c(C)cccc2cc1C#N 20151284 LAPDVFLKNVPYQM-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB C=CCc1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)c(OC)c1 35167758 UGZVYVTZIFXTHX-UHFFFAOYSA-N 407.514 4.221 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 36627652 GXLAANVODDHDLN-MRXNPFEDSA-N 424.526 4.417 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100973895 YAVDAUZIYHNFJC-SWTGTHOSSA-N 406.916 4.021 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccccc2)N1C1CCCCC1 100975050 LMGWRIAVKQZSPQ-XJUMHSELSA-N 414.552 4.381 30 40 HIEB COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2Br)c(OC)c1 4934910 YLEYZSYFUWUSNG-BQYQJAHWSA-N 407.220 4.183 30 40 HIEB N#CCCN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1F 6784562 ADYUXPFNQGXTHY-UHFFFAOYSA-N 420.440 4.093 30 40 HIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21 9129413 QRTGTAISICODHX-LJQANCHMSA-N 420.690 4.096 30 40 HIEB CC(=O)Oc1ccc([C@@H]2Nc3c(c(C)nn3C(C)=O)C3=C2C(=O)CC(C)(C)C3)cc1 16266215 LEBWHEZFBRMFPG-NRFANRHFSA-N 407.470 4.086 30 40 HIEB O=C1/C(=N\Nc2ccc(F)cc2)C(CSc2ccccn2)=NN1c1ccccc1 17784094 JSUUMCHBUIMXKU-QQTULTPQSA-N 405.458 4.184 30 40 HIEB Cc1cccc(N/C(S)=N/[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)c1C 22941959 JRDUGQVKIFYYIE-XLIONFOSSA-N 402.633 4.440 30 40 HIEB Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(Br)ccc3ncc21 33359415 AEWUWGWDTHMGQU-UHFFFAOYSA-N 421.298 4.441 30 40 HIEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 57334285 VKLHCDLRPBVPTG-UHFFFAOYSA-N 402.498 4.324 30 40 HIEB Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1 59484498 SATGKXVTWNANML-ZCOIRKDISA-N 407.469 4.053 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 102864577 VNVFMOPVUUZEED-GHNGSUTGSA-N 414.845 4.470 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)cc1C 223762231 PXASLUGOXDMGQH-PYCFMQQDSA-N 416.344 4.344 30 40 HIEB CCc1cccc(C)c1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409409734 WPTXOHWAWZBFAV-BLKABHOGSA-N 401.510 4.106 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 2055212 FFYTXOKELSCCKM-OAQYLSRUSA-N 411.498 4.169 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 3165554 ZZHCSJGYHLEYRM-UHFFFAOYSA-N 411.527 4.162 30 40 HIEB C=CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCc2ccccc21 4816111 COLSEVUBXXRRAG-UHFFFAOYSA-N 420.538 4.033 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 4905499 MJVABTYRTIKWSA-SFHVURJKSA-N 403.475 4.281 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8715667 OBGANYMUPTWEDK-KKSFZXQISA-N 407.510 4.252 30 40 HIEB O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc([N+](=O)[O-])c3O)cc2[nH]1 16450164 XEXJXZVJMTYFPQ-FOKLQQMPSA-N 422.828 4.465 30 40 HIEB C=CCc1cc(/C=C/C(N)=O)cc(OC)c1OCc1ccc(Br)cc1 226361110 WXRZMZQWGXYJSO-JXMROGBWSA-N 402.288 4.264 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3c(CC)cccc23)C1=O 409141280 HZAXGNYPVBVOCP-UYRXBGFRSA-N 423.538 4.048 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409319821 MGIIADQYDRIYNA-CYBMUJFWSA-N 409.287 4.426 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 3517607 GFTFNHUTQOZWKF-UHFFFAOYSA-N 418.518 4.271 30 40 HIEB C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 4812082 ASAOGVYYVSTGTP-JENIJYKNSA-N 405.546 4.168 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1F 5829254 XQQXBYHHZLPIAI-IIDMSEBBSA-N 402.539 4.303 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 6856047 OCYUSCPQULNPKQ-LICLKQGHSA-N 413.476 4.061 30 40 HIEB C=CCN(Cc1ccc(Br)s1)C(=O)c1cc(=O)[nH]c2ccccc12 7986096 LMRNCHLNTLXBLK-UHFFFAOYSA-N 403.301 4.181 30 40 HIEB CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1 13686002 WYABFTGTROFIIB-UGNPLGLKSA-N 405.564 4.314 30 40 HIEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O 18197520 GVDVBFWOYUYOKB-NRFANRHFSA-N 423.465 4.339 30 40 HIEB COc1cccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c1 20059083 PLSTVYFMDHSYJD-FATZIPQQSA-N 417.509 4.251 30 40 HIEB CCOC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1 20365497 AVSWNTGYMJDHKM-UHFFFAOYSA-N 412.493 4.124 30 40 HIEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OCC)cc1 66088892 QCFOFAQJHBVBCX-IBGZPJMESA-N 415.511 4.152 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@H]2C)C1 72390543 UGDSIXANHVYUCF-YQOVMPOYSA-N 408.567 4.135 30 40 HIEB COC(=O)c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1N1CCOCC1 98086854 HGZLJENKRYQNDD-SSDVNMTOSA-N 409.269 4.073 30 40 HIEB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1 100184442 UJRUAKRIYLZNPE-JQBIEYAESA-N 415.490 4.205 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 101231617 BJTMYFLDVGOGDS-GROYHEBESA-N 416.246 4.196 30 40 HIEB COCCC/N=c1/scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(OC)cc1 103371021 TWAWFQSLVDMTBG-QSHJZOSNSA-N 411.527 4.053 30 40 HIEB CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1 146288580 ZXMCLZQSCSVUOG-PCLIKHOPSA-N 424.570 4.338 30 40 HIEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223746682 POZXFEREFZXWSA-UHFFFAOYSA-N 401.528 4.176 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1 226335488 ITMZRIOZWNGWIP-CMDGGOBGSA-N 419.246 4.365 30 40 HIEB C=CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)s1 2493529 XJRGJEYFYMSDAI-NSHDSACASA-N 403.554 4.405 30 40 HIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O 4973883 REIHISXJZNQQOH-KVDJPTQJSA-N 415.490 4.087 30 40 HIEB COc1ccc(C(=O)O/N=C/c2ccc([S@@](=O)c3ccc(Cl)cc3)nc2)cc1 5359419 QXXPQPYSXABNSV-GWRQXULOSA-N 414.870 4.101 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCSc3ccccc32)n(Cc2ccco2)c1C 7359922 NUNQPXBJXDEZIR-UHFFFAOYSA-N 406.511 4.169 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(SC)cc2)cc1 9012804 NYFYBTMDVDUYMS-KSFYIVLOSA-N 418.522 4.424 30 40 HIEB Cc1nn(-c2ccc(C(=O)/C=C3\NCCc4cc5c(cc43)OCO5)cc2)c(C)c1Cl 9129473 SCRUVCZLGCUIEL-ODLFYWEKSA-N 421.884 4.241 30 40 HIEB N#Cc1nc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)oc1N1CCCCCC1 9210285 YKMIYKYMPZUHOB-SFQUDFHCSA-N 424.551 4.328 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 13898913 RSQOTFQJPABPJL-XTQSDGFTSA-N 420.381 4.139 30 40 HIEB COc1ccc(/C=N/[C@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16952567 NYSMPTJQTBPEOE-DZQSVEARSA-N 404.466 4.260 30 40 HIEB N/C(=N/OCc1coc(-c2cccc(F)c2)n1)c1cccc(CN2CCCCC2)c1 84363211 BOXFVYSYTQLXFV-UHFFFAOYSA-N 408.477 4.304 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]56)[C@H]4C3=O)o2)cc1Cl 226661946 VKBXHIYTVCVTQV-LFSYXYEASA-N 406.869 4.295 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC#N 408874146 ZCZMSJOQUYQVLF-WQRHYEAKSA-N 413.886 4.451 30 40 HIEB N#Cc1ccc(N2CC[C@H](Sc3nc4ccc(C(F)(F)F)cc4[nH]3)C2=O)cc1 603937992 FDMYGOQVMGXKLZ-INIZCTEOSA-N 402.401 4.351 30 40 HIEB C#CCOc1cccc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)c1 1531263057 GTQCPESVYGGYMD-OEAKJJBVSA-N 424.298 4.006 30 40 HIEB CCc1nnc2n1N(C(C)=O)C(c1ccc(C3CCCCC3)cc1)=C(C(C)=O)S2 4518326 RIVVSKNZZWCTCL-UHFFFAOYSA-N 410.543 4.436 30 40 HIEB C/C(=N/OCc1nc2c3c(C)c(C)n(-c4nccs4)c3ncn2n1)c1ccccc1 9306674 HKULRYYURZNZNM-WGARJPEWSA-N 417.498 4.082 30 40 HIEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCO4)cc1 9829724 QGAFKKAOMHYTAU-UHFFFAOYSA-N 414.446 4.139 30 40 HIEB Cc1c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)oc2ccc(Br)cc12 13141761 QTERIYXNTJLXJB-UHFFFAOYSA-N 413.227 4.171 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(Br)cc1O 15931972 KIFYWDGYMCFIJE-OVCLIPMQSA-N 405.273 4.055 30 40 HIEB CCOc1ccc2nc(NCCCNC(=O)c3ccc(F)c(F)c3)c(C#N)cc2c1 19519948 QLEXWHMFZBFHCS-UHFFFAOYSA-N 410.424 4.015 30 40 HIEB COc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 26966909 RLRSATSTFYDDRT-DAFNUICNSA-N 417.494 4.053 30 40 HIEB CCOc1cc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc(Cl)c1O 33603608 RUHFLCHRFRFXJL-ZFCGCGTISA-N 409.920 4.276 30 40 HIEB CCc1ccc2nc(NCCNC(=S)Nc3cccc(OC)c3)c(C#N)cc2c1 35311103 DBCDFELXQZNQQO-UHFFFAOYSA-N 405.527 4.076 30 40 HIEB CNC(=O)C[C@@H]1S/C(=N/c2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O 104480852 HOYLSNDWBILHBI-QAYQYMSWSA-N 415.946 4.225 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220572913 PLLHWQPEIJHJJB-NRFANRHFSA-N 416.543 4.052 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548677 LTEYZBROVCCMIC-ZHALLVOQSA-N 424.305 4.006 30 40 HIEB CCOc1ccc(/C=N\c2cc(C(=O)O)ccc2C)cc1I 408904479 KERVZROZAWHEMH-GRSHGNNSSA-N 409.223 4.447 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Br)ccc1O 1531384027 BQUBJORNVCYHPA-YDZHTSKRSA-N 420.266 4.414 30 40 HIEB C=CCn1c(SCC(=O)N2CCCC2)nc2scc(-c3cccs3)c2c1=O 2886863 WIAQMSKCJLRDTR-UHFFFAOYSA-N 417.581 4.087 30 40 HIEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4544049 ZGJPZSCLCQVATJ-JJNABOQBSA-N 407.853 4.340 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)c1 5408601 SIJDUNLONLPTSA-NRFANRHFSA-N 418.449 4.160 30 40 HIEB O=[N+]([O-])c1ccc(NN=C2CCCCCC2)c(S(=O)(=O)N2CCCCCC2)c1 5749639 DYZCPNGIGWTYHE-UHFFFAOYSA-N 408.524 4.282 30 40 HIEB CCOc1cc(Br)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1O 9296652 DSBUFQAVAXLXMZ-OQLLNIDSSA-N 419.300 4.445 30 40 HIEB COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1OC 9304765 IINYKVSXCLTUMI-UHFFFAOYSA-N 403.482 4.223 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccn3)nn1[C@H]2c1cccnc1 18199792 VOYRSNKORNKJEZ-IBGZPJMESA-N 418.526 4.019 30 40 HIEB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1 22409867 KFIYZJDUSCKIKA-VWLOTQADSA-N 411.461 4.201 30 40 HIEB CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 26728570 RPALGASVPSCWCC-UHFFFAOYSA-N 423.519 4.333 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)c4c(F)cccc4F)CC3)nc2cc1C 35314005 DFLJRMJAZJLYSN-UHFFFAOYSA-N 420.463 4.354 30 40 HIEB C[C@@]1(CCc2ccccc2)CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 79050016 BWHRACMMOFBWDK-RUZDIDTESA-N 402.542 4.041 30 40 HIEB CCN/C(=N\c1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101536764 ZSNILNJTTWVDJE-MRXNPFEDSA-N 405.882 4.141 30 40 HIEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1C 408930484 XPOPQOZAPNOMBF-HZMZRVLWSA-N 402.903 4.460 30 40 HIEB C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542061053 CEUJRRUTVZFFKE-QGZVFWFLSA-N 410.477 4.246 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C#N)c1C 996312 UFMGAPVKGZJGOB-ZDUSSCGKSA-N 419.934 4.470 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 8740653 UBSLGCYYWIJPDI-FQEVSTJZSA-N 422.412 4.304 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C(C)=O)s3)c2)c1 13007240 PDQNHXJJNDZSHA-UHFFFAOYSA-N 403.459 4.389 30 40 HIEB COc1cc(OC)c(/C=N/c2sc3c(c2C(N)=O)CCCC3)cc1Br 13895486 RHNDAKGYLNAPAX-ZVBGSRNCSA-N 423.332 4.256 30 40 HIEB CC(=O)/C(=N\Nc1c(Cl)cccc1Cl)Sc1nnnn1-c1ccccc1 18067896 ZPUXJOCUYYBESS-HMMYKYKNSA-N 407.286 4.076 30 40 HIEB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2C#N)CC1 96102871 OOBUIYNERDVDBR-UHFFFAOYSA-N 422.872 4.254 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccccc1 408730491 GVTJMLWENGBJQH-LJQANCHMSA-N 405.435 4.001 30 40 HIEB O=C1NC(=Nc2ccccc2F)S/C1=C\c1cc2c(cc1Br)OCO2 408872525 FTVSWEIQWNCEIB-UUASQNMZSA-N 421.247 4.209 30 40 HIEB CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1C(=O)O 409212001 PCKZGVUJPUVHLA-UHFFFAOYSA-N 409.482 4.217 30 40 HIEB C#CCOc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409305121 LUPYNKAITBPXDO-UHFFFAOYSA-N 424.298 4.177 30 40 HIEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OCC)c1O[C@@H](C)CC 409356614 GISZDWUDVYHCFC-INIZCTEOSA-N 421.497 4.289 30 40 HIEB CCCOC(=O)c1ccc(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1 1505840455 BAGZGJMSUPCMSI-VULFUBBASA-N 412.449 4.278 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3316337 OQYZJTYTHQYJHB-FPYGCLRLSA-N 406.772 4.008 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238234 GHFGBDGZZWRQCY-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB COc1cc([N+](=O)[O-])ccc1/N=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 5276868 YRQSEVQIUYMZJL-FOKLQQMPSA-N 401.382 4.041 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 5476007 BZFXWFPVSXWURW-UHFFFAOYSA-N 403.276 4.354 30 40 HIEB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7853864 SHVAQWQZYZLFCR-SNVBAGLBSA-N 419.601 4.434 30 40 HIEB Oc1c(Br)cc(/C=N/Nc2nc3ccccc3[nH]2)cc1Br 12967308 YWSBCYUIYHNUDL-REZTVBANSA-N 410.069 4.240 30 40 HIEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 13573324 ICLNONFRCTXCRX-HNNXBMFYSA-N 419.293 4.117 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 13655770 AMFXWBFKTZYFNO-BKUYFWCQSA-N 408.431 4.079 30 40 HIEB O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 15952535 BIRJMHSDSIWFBL-JJJRJKGESA-N 417.454 4.079 30 40 HIEB COc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc(Br)c1O 59105685 SSGKGUUXXRDGPV-RIYZIHGNSA-N 423.263 4.194 30 40 HIEB C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 101287977 VCGZSVOICKMWHP-JBCNATCCSA-N 416.433 4.174 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/N=C\c2ccc(/C=N\c3cc([N+](=O)[O-])ccc3O)cc2)c1 104144417 KQNVPCLMARLCKC-IINORCHSSA-N 406.354 4.415 30 40 HIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(I)o3)S2)c1C 408757976 FEMXVOMQGCMHID-JYRVWZFOSA-N 424.263 4.393 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409326046 FZCWROGRMUCBEJ-LBPRGKRZSA-N 400.276 4.260 30 40 HIEB CCc1cccc(NC(=O)CNC(=O)Nc2cccc(C#Cc3cccs3)c2)c1 1665177582 VCELOUDCOLXECI-UHFFFAOYSA-N 403.507 4.471 30 40 HIEB C=CCn1c(SCC(=O)NC2CCCC2)nc2scc(-c3ccco3)c2c1=O 2627421 QHCNJZJOMWELFP-UHFFFAOYSA-N 415.540 4.055 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc4ccccc4n3)c2C#N)C1 3258608 AOOWMRMPPUJQOA-ZDUSSCGKSA-N 405.479 4.088 30 40 HIEB CC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S1 3430782 YUHHHNBMJXGESQ-KRWDZBQOSA-N 424.551 4.208 30 40 HIEB CCCCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)cc1 20112759 BYFUYEWBSXPNFZ-DHZHZOJOSA-N 423.509 4.487 30 40 HIEB biogenic COc1ccc2nc(NCCNC(=S)Nc3cc(C)ccc3C)c(C#N)cc2c1 35312340 YRVJIVJOGSSSEZ-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(C#N)cc4)ncnc23)cc1 71328148 HVFWFNINUWWYGQ-UHFFFAOYSA-N 415.478 4.236 30 40 HIEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 84357916 PZWJDKZQASFYBM-KRWDZBQOSA-N 404.301 4.219 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cc(OC)c1O 100765446 XZXGIGKXBWXAJW-PMACEKPBSA-N 409.526 4.153 30 40 HIEB CC1=NOC(=O)/C1=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 409088318 WTSBTIMJTAWBAZ-QPEQYQDCSA-N 412.250 4.077 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S 1200997 NASLGRREAVKNNT-FMIVXFBMSA-N 407.278 4.066 30 40 HIEB in-vitro CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1 4062364 KSZICRVBQWJCOO-QFIPXVFZSA-N 413.514 4.405 30 40 HIEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 6473820 IZQJOMLNSLCKJZ-FYJGNVAPSA-N 416.401 4.306 30 40 HIEB Cc1cc(SCC(=O)Nc2ccnn2C(C)C)n2c(nc3ccccc32)c1C#N 8746301 IYVNBSLZUBXKGM-UHFFFAOYSA-N 404.499 4.176 30 40 HIEB CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1ccc(C)cc1 13897959 DRFMQIKIVKXKDK-PTGBLXJZSA-N 420.454 4.217 30 40 HIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3cc(OC)c(O)c(OC)c3)cc2c1C 40082000 JVSLDIMWIUJKDH-AATRIKPKSA-N 413.451 4.010 30 40 HIEB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(C#N)c1C 100026786 KKNYYGUAZDFHGI-GZTJUZNOSA-N 408.483 4.132 30 40 HIEB C#CCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409135966 WWUWHRBNHZWAHA-QNGOZBTKSA-N 402.475 4.390 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409303879 OTIZLVIMJYPBDE-LBPRGKRZSA-N 400.276 4.260 30 40 HIEB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1C 409411374 HHIQODWHYNJMNE-UHFFFAOYSA-N 419.506 4.423 30 40 HIEB CCCCCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 2284854 MHOGNJFBVHNEBB-UHFFFAOYSA-N 419.510 4.447 30 40 HIEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21 4555116 ZLWFYKGFZCAQPW-MIFWMJNYSA-N 401.462 4.119 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 5072620 XTMZLDMTKCINDM-AZINHNKBSA-N 414.490 4.357 30 40 HIEB Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)c1 5164682 LRHMPSQMHKOTHB-UWJYYQICSA-N 420.538 4.213 30 40 HIEB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)c1 6146697 ITAQDHLFDLECPT-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(C)C)cc1 6620534 OKWBNRSIWOUTQO-JOCHJYFZSA-N 423.509 4.433 30 40 HIEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2cc(Cl)ccc2c1=O 6903106 YGXVGCTVBIBSLU-UHFFFAOYSA-N 401.919 4.166 30 40 HIEB COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC 12464835 IYDBMPBYOUDBSS-OVVQPSECSA-N 413.521 4.425 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O 16661260 DMPZHJYYMQYHKJ-FXBPSFAMSA-N 405.523 4.044 30 40 HIEB Cc1c(C)c(C)c(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)c(C)c1C 17089919 UXXNSGYILQVMGM-MYKKPKGFSA-N 414.506 4.070 30 40 HIEB COc1cc(I)c(Cl)cc1C(=O)Nc1sccc1C#N 31876652 IIXJJGXOPVAUAP-UHFFFAOYSA-N 418.643 4.139 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O 32946306 CDRRNJKDPCMABD-OAHLLOKOSA-N 424.551 4.071 30 40 HIEB N#CCN(CC#N)C(=O)/C=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 72059704 FXXRWSITOLZHKP-ZHACJKMWSA-N 415.884 4.141 30 40 HIEB O=C1/C(=C\c2cccs2)Oc2c1ccc(O)c2CNC[C@@H]1CCCN2CCCC[C@H]12 97963069 RNLNHZCNSMLHLC-KSWTUVBBSA-N 424.566 4.424 30 40 HIEB biogenic O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 103167366 AYXHHTXSFZZGFF-NXEZZACHSA-N 422.247 4.120 30 40 HIEB COCC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/[C@H]1C[C@H]2C=C[C@H]1C2 103461407 XKNNZFCPLDQDFY-SCMOWPLUSA-N 419.497 4.411 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2622794 MMQYVOGHEBDYPM-JOCHJYFZSA-N 423.517 4.220 30 40 HIEB COc1ccc(-c2nc(-c3cccc(Cl)c3)nc(N3CCN(C)CC3)c2C#N)cc1 3104948 XVWOCZWZKFITPZ-UHFFFAOYSA-N 419.916 4.096 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 5660485 NYERNECKBAKABG-BRWUVLROSA-N 409.489 4.221 30 40 HIEB C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 6409148 DWTAHXMYFRXGGO-MRXNPFEDSA-N 400.434 4.038 30 40 HIEB O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2Cl)c1O 6861740 JGDGRPZFMLGHHF-FRKPEAEDSA-N 402.575 4.309 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1O 7700983 NPNMGBZULHEIGW-NTUHNPAUSA-N 403.434 4.314 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022578 OXAKAGFHNOZQIE-JOCHJYFZSA-N 423.509 4.479 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccc([N+](=O)[O-])c2O)cc1 16920303 UBRDMOCDVXLYGB-BKUYFWCQSA-N 411.439 4.160 30 40 HIEB COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 17088983 AAINSZVKCJKEOU-BCRSCGJKSA-N 411.552 4.280 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 20149945 CGOZCAAYNTVHQV-QFIPXVFZSA-N 418.493 4.353 30 40 HIEB COc1cc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3[nH]2)cc(OC)c1OC 49551940 PYXXOGUIYQVXSE-BOPFTXTBSA-N 415.449 4.407 30 40 HIEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1 225603927 ZZXDVYPUEJIGLS-UHFFFAOYSA-N 408.980 4.320 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408799966 MCYRMKXXWDFRLC-CJLVFECKSA-N 424.456 4.081 30 40 HIEB COc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1cccc2ccccc12 408864861 APOAXHFLCUIAJT-YDZHTSKRSA-N 404.495 4.498 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(C)c2ccccc12 409297369 KJSMUMZLIHMBFY-UHFFFAOYSA-N 423.314 4.404 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(C)cc1 409335126 XPWZXWTWVGHXMA-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB C=CCc1cc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1OC 541114776 HRQALQOAQCTCQB-INIZCTEOSA-N 423.435 4.125 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(F)cc3Cl)o2)cnn1C 2798069 DDPUZLBSEMPLSQ-YSURURNPSA-N 418.856 4.275 30 40 HIEB CC(C)(C)c1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 3396642 MAGQUSVVONSLMT-WGBQGACBSA-N 415.440 4.387 30 40 HIEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1O 4189423 CFFSWIJKYJMZAO-DLQQFWPKSA-N 422.481 4.022 30 40 HIEB CCOc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 4680851 NYWFBWWPIBNWTC-DVCONVQISA-N 417.918 4.329 30 40 HIEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCc1ccccc1 6555577 QDJOSZULQGLSGP-NVNXTCNLSA-N 402.244 4.353 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nccs2)cc1 9763862 UWESTBUBLNQXKA-SFHVURJKSA-N 406.463 4.243 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2OC)cc1 12407972 KUIQYYNVZGPOTD-QKKBWIMNSA-N 418.453 4.066 30 40 HIEB COc1cccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)c1OC 18196515 CVRQVBQFFDGSPV-GTNSWQLSSA-N 423.494 4.152 30 40 HIEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc3ccccc3nc1-c1ccccc1)OCO2 46085348 BDWAZOBICZFWDH-FSJBWODESA-N 413.393 4.380 30 40 HIEB C=CCN1N=C(SCC(=O)Nc2ccc(C)cc2)N=C(Oc2ccccc2)[C@H]1C 57401631 UALMWZFKSCPVQF-QGZVFWFLSA-N 408.527 4.305 30 40 HIEB O=C(Nc1cccnc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68573735 AOSMRZDCNPKCTL-ZETCQYMHSA-N 406.151 4.055 30 40 HIEB biogenic C/C(=N\CC/N=C(\C)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O 68601471 LODANQOMOLDODE-RYQLWAFASA-N 400.434 4.218 30 40 HIEB CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 100189356 ISDCOHOLVMZOBV-LFVJCYFKSA-N 408.527 4.479 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 102696994 XIWVEGHMHWMQCH-SELCWUDQSA-N 405.841 4.065 30 40 HIEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 103167374 AYXHHTXSFZZGFF-ZJUUUORDSA-N 422.247 4.120 30 40 HIEB Brc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408856059 HXAJDGFEUZMERO-ZDLGFXPLSA-N 414.097 4.392 30 40 HIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 409042661 NYWAVMBLQNLHAJ-ONQUBPJZSA-N 400.478 4.016 30 40 HIEB Cc1c(C(=O)N2CCCCC2)sc(NC(=O)Cc2ccc(Cl)cc2)c1C#N 871286 SABLFNVFSAOSCK-UHFFFAOYSA-N 401.919 4.389 30 40 HIEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@H](C)COC 4889420 GWABGCGQESQLSW-MSOLQXFVSA-N 412.534 4.222 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N(C)Cc1ccccc1 5869372 ZHVZDURYMTZPBA-UHFFFAOYSA-N 422.554 4.102 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1cccs1 8838308 RACPCKRHTWFKLU-YDJIHCHBSA-N 424.522 4.258 30 40 HIEB Cc1ccc(-n2nc(C)c(NC(=O)CCc3c(C)nn(CCC#N)c3C)c2C)cc1 13012221 FCSXUBJARWWXIH-UHFFFAOYSA-N 404.518 4.096 30 40 HIEB CC1(C)CCC[C@@](C)(C#CCN2CCN(CC#C[C@]3(C)CCCC(C)(C)O3)CC2)O1 19934004 JMHBJXANORTDCX-UIOOFZCWSA-N 414.634 4.086 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1F 26459153 DGANLCUBGJSOLR-SFHVURJKSA-N 413.426 4.267 30 40 HIEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100216235 NCJFDZYCAPWRPJ-QQXSKIMKSA-N 416.477 4.309 30 40 HIEB Cc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 101028206 HVCSFLDSJWXOSE-ZULIPRJHSA-N 406.507 4.385 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCCCC(=O)O)[C@@H]2c2ccccc2)cc1 102881226 GQZJVBZOZHFKDA-JBCNATCCSA-N 407.466 4.062 30 40 HIEB O=C(O)Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409106119 MDNFAYRJMWEYGP-GZIVZEMBSA-N 406.320 4.099 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(C)c1 409325184 XLRHLZOSSZIKQZ-UHFFFAOYSA-N 414.303 4.311 30 40 HIEB Cc1c(Cl)cccc1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409357823 KHXLFICCEFECLZ-UHFFFAOYSA-N 406.873 4.354 30 40 HIEB COc1cc(/C=N/c2ccc(I)cc2C)cc(OC)c1OC 678654 OQZRTTUOGGNWIT-VXLYETTFSA-N 411.239 4.376 30 40 HIEB C[C@@H](Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)O 4695963 XPXQYTMSYFEEPC-LKBVRNOZSA-N 402.859 4.084 30 40 HIEB CCOC(=O)c1cccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)c1 5238270 MPBOXDWGHYBOFO-UHFFFAOYSA-N 405.479 4.086 30 40 HIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 6843281 DKCTUIJMXJAGEF-LSHDLFTRSA-N 412.342 4.399 30 40 HIEB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 12533291 HYMFIWQJUPUIIP-OUKQBFOZSA-N 423.520 4.472 30 40 HIEB CCCOc1ccc(-c2nc(SCc3ccccc3)[nH]c(=O)c2C#N)cc1OC 13111429 UYDFQOGOFNVYDE-UHFFFAOYSA-N 407.495 4.398 30 40 HIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608158 WFZMNBKPPODYMI-KZULUSFZSA-N 419.451 4.411 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4Cl)nc3c2[C@H]1c1ccco1 5346116 VTGCGEHKVNTOIE-KRWDZBQOSA-N 406.829 4.425 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 7698933 MRIYYRGJYRPNMV-UHFFFAOYSA-N 405.841 4.044 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccc(O)cc45)[C@H]3C[C@H]12 12661773 SYOZIQWKUALTLK-FIXGDMNTSA-N 408.542 4.320 30 40 HIEB biogenic Cc1nn2c(C(F)(F)F)ccnc2c1/C=C/C(=O)c1cccc(N2CCCC2=O)c1 13004407 CTLVYQXHEODFEZ-BQYQJAHWSA-N 414.387 4.079 30 40 HIEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20737863 QSHLEVDBZLCPOY-XMMPIXPASA-N 419.525 4.066 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C)cc2)cc1 102798396 YTDIRSGMZJSZAA-WOOAAIBNSA-N 420.490 4.477 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 102804123 JZOYRGCRCGTOCX-WOOAAIBNSA-N 406.438 4.500 30 40 HIEB CC1=NOC(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409086620 FQLFLFWPAYQPCS-SXGWCWSVSA-N 416.227 4.042 30 40 HIEB COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)ccc1O 814106 GUGXAIGSBZNJAW-QFIPXVFZSA-N 422.456 4.147 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCCCC2 3334880 YDEPMSQLAYKHGC-UHFFFAOYSA-N 423.288 4.040 30 40 HIEB CCOc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1OC 5268443 BGMPWWUVWJHWQM-GAJHUEQPSA-N 416.481 4.101 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)cc1C 5546973 QUZVKUWESFWAQD-AYIBLLACSA-N 407.469 4.053 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 6479362 SKIQWWJKJZKNFY-HMMYKYKNSA-N 412.445 4.379 30 40 HIEB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CO/N=C/c2ccccc2F)cc1 7988258 CQAVUOIRYMDGEI-JFLMPSFJSA-N 419.456 4.053 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 8914586 LEIBYBVTXKLSPS-NRFANRHFSA-N 416.433 4.331 30 40 HIEB CCOc1ccc(N/C(S)=N/[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 22928344 DOMCOOGTMDHXLE-AVRDEDQJSA-N 412.603 4.160 30 40 HIEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154712 FMDNGMXJVQZKKB-YJYMSZOUSA-N 404.297 4.266 30 40 HIEB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 84409154 TVVYYRLFUXNETF-LJQANCHMSA-N 417.431 4.019 30 40 HIEB C=CCN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224470298 MPFABAVDXUCKFG-UHFFFAOYSA-N 412.555 4.080 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 408588805 JSZMLHAMOIEYJL-KEWMMQSOSA-N 407.901 4.279 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC 409168758 NJTSRSVJSMCEGB-UDWIEESQSA-N 406.463 4.368 30 40 HIEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1C 409194288 JMOQJKMUJSRSOR-POHAHGRESA-N 405.841 4.243 30 40 HIEB C#CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 409248289 PEKVVTZCIQQTFL-NEHLPSIOSA-N 422.506 4.340 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409360293 ZTEKJXQFKZDUGD-XDHOZWIPSA-N 424.434 4.079 30 40 HIEB CN(C)c1ccc(CN2CCC[C@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)cc1 585295241 RJQBSRHWPCFYKN-SFHVURJKSA-N 418.570 4.599 30 40 HIEB CCNC(=S)N/N=C/c1cc(Br)ccc1OCc1ccc(C)cc1 6891530 LPWWOBFAQUKXJK-SRZZPIQSSA-N 406.349 4.154 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)c1 8022742 AYVPAXCKSFZXMD-OAQYLSRUSA-N 409.482 4.089 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1C 9303786 PFXYFMWKZBLNSE-HNNXBMFYSA-N 422.510 4.288 30 40 HIEB C=CCN(CC=C)C(=O)Cn1c([C@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 12563649 PWLBTOMPZCBFBU-IBGZPJMESA-N 416.525 4.036 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)c1 12999978 LNDAPHGQXLFXTM-UHFFFAOYSA-N 415.445 4.143 30 40 HIEB CCc1ccc2nc(NCCNC(=O)c3ccccc3Br)c(C#N)cc2c1 35311043 ZIFMPKRUMAORRT-UHFFFAOYSA-N 423.314 4.273 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408812934 XQPDAMIMBLZWII-LFIBNONCSA-N 417.248 4.225 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CC=C 408843253 FCNBRCILQLVFMG-RCCKNPSSSA-N 416.477 4.263 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OC)cc(OC)cc3OC)S2)cc1 408955491 XLFFKXJRWJFIRP-XDHOZWIPSA-N 414.483 4.003 30 40 HIEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409063641 ALIWQXZEPILZBJ-ZROIWOOFSA-N 412.305 4.467 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)/C=C(\C)CC[C@@H]1C=C(C)C(=O)O1 1772591064 DLNKPVUPXOYXQF-KHRHRXGJSA-N 416.558 4.348 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 2451023 PFWVXLVWJIFFJZ-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB C=CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)ccc1Cl 4181223 XKOWSQXADKFMIL-DHDCSXOGSA-N 405.884 4.432 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 4311225 VLIYBGURZLQGJA-NRFANRHFSA-N 402.425 4.308 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)cc1 5446252 FAIXUOMSOCHBKZ-MRXNPFEDSA-N 411.870 4.283 30 40 HIEB N#CCC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 8709570 IFJVRJMMQTYZNP-HXUWFJFHSA-N 407.520 4.450 30 40 HIEB COc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 59435471 SYBVTDDQYGAJBR-HLHNIQGOSA-N 415.493 4.081 30 40 HIEB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(C#N)c1 97544207 KJKHGBHXOIFNCA-QHCPKHFHSA-N 403.457 4.173 30 40 HIEB COc1ccc(/C(=N\O)[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1 104291210 FBWAFBVOCIGTGV-BGWGKYIPSA-N 403.434 4.369 30 40 HIEB O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCO4)C3=O)O1 1081802689 NFEJAYXVQDEZMF-MRGVZLDZSA-N 402.358 4.066 30 40 HIEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 1889168 QYAUQFCPNCQIAM-MRCUWXFGSA-N 418.493 4.038 30 40 HIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 9420551 OFTQNSWGUWDSAE-XACIZNRCSA-N 417.255 4.396 30 40 HIEB Cc1cccc(CS(=O)(=O)c2nnc(/N=C(\O)c3ccc(Cl)cc3)s2)c1 27663810 UCDDFDYXHYZSSP-UHFFFAOYSA-N 407.904 4.110 30 40 HIEB N#Cc1ccccc1COc1c(Br)cc(/C=N/O)cc1Br 33653910 LQYVUXJSLGPTNV-UFWORHAWSA-N 410.065 4.470 30 40 HIEB N#Cc1c(NC(=O)CN2C(=O)CSc3ccccc32)sc2c1CCCCCC2 89865579 ATMBKUDSXCRVHD-UHFFFAOYSA-N 411.552 4.356 30 40 HIEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100973931 VQNICDCUAAHJBZ-CBFHDUEPSA-N 412.945 4.083 30 40 HIEB O=C1[C@@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 102922751 MAGWHHLITARTQY-FTHOYRMOSA-N 414.533 4.314 30 40 HIEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NC[C@@H]1CCCO1 408817085 SWLIXUOHWHTHBT-CMBCABCVSA-N 407.297 4.418 30 40 HIEB COc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc(Cl)c1O 409136655 YBJVJZCCQPFGDU-ZSOIEALJSA-N 423.277 4.108 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)ccc1OCc1ccccc1 409362078 RVPUEYABSVLATE-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 2452933 ABYLWGUCVAVKCN-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccc([N+](=O)[O-])c2O)cc1 4809347 UBRDMOCDVXLYGB-FYJGNVAPSA-N 411.439 4.160 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4cccs4)nc13)O2 5346216 UDSHRECAOTXNDH-KRWDZBQOSA-N 400.463 4.384 30 40 HIEB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 7193468 GZZZMAFUBDTPLU-GFCCVEGCSA-N 414.874 4.293 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3CC[C@@H]2C)n(Cc2ccco2)c1C 7360427 OOIMKMZDOVBFFV-INIZCTEOSA-N 402.498 4.398 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccnc1 10231045 ODSOYIXWNQAHTO-CYBMUJFWSA-N 422.539 4.255 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c(OC)c1 13653869 FWTGKIXGYPRUSM-MFLNWZAWSA-N 409.482 4.258 30 40 HIEB biogenic C=CCNC(=S)N/N=C\c1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 33927667 BKPXPVFEMJGJDV-OYKKKHCWSA-N 417.962 4.399 30 40 HIEB CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)ccc1O 35657247 CGXCOSDBVRWPMC-ZIKOHYJISA-N 412.467 4.113 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O 2088213 JMXOYGFQQPQNEQ-JOCHJYFZSA-N 421.493 4.494 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccco1 2397733 FSBGOMFFLHZTKB-UHFFFAOYSA-N 419.304 4.217 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)sc1C 4310834 SWFYOFZOSFUMGQ-SFHVURJKSA-N 406.463 4.248 30 40 HIEB C=CCN/C(S)=N/N=C\c1cccc(OCc2ccc(Br)cc2)c1 5009760 JYFNNMKKFWMWCI-MTJSOVHGSA-N 404.333 4.423 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(N(C)C)cc1 5931415 CSQCQABMFKLXLP-SCLBCKFNSA-N 424.570 4.291 30 40 HIEB C=CCN(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C 6561271 WMUBRXGGCSHUKV-UHFFFAOYSA-N 414.571 4.298 30 40 HIEB N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2 17440243 LWMHBSBGDXNSQU-UHFFFAOYSA-N 417.519 4.168 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc(OC)c1OC 100753434 COQVSAAWRWLXMX-ICSRJNTNSA-N 404.514 4.045 30 40 HIEB COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C 101650535 NZBNXAOVRYUNBG-LRWZUSMTSA-N 417.918 4.247 30 40 HIEB Cc1ccc(-c2csc3ncnc(-n4ncc(C#N)c4/N=C/N(C)C)c23)cc1C 102306113 PCMXSCISSFSHOR-BRJLIKDPSA-N 401.499 4.254 30 40 HIEB COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 408730905 JZFCKKLXUQGFGO-QFIPXVFZSA-N 416.502 4.214 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)c(C#N)cc2c1 649528 ZLBRGEWSZMYGNB-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1102848 NHIFMIULPKKIPL-RGVLZGJSSA-N 405.273 4.107 30 40 HIEB COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 5879956 PHPRIAGBXUFFRA-LFVJCYFKSA-N 406.507 4.193 30 40 HIEB C=CCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2c(s1)CCCC2 6788452 BUULIYXTFJKTRW-UHFFFAOYSA-N 416.543 4.200 30 40 HIEB C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1nc2c(s1)CCCC2 12915473 POJYCDTVHUYLQT-OAHLLOKOSA-N 415.584 4.155 30 40 HIEB Cc1ccc(N/C(S)=N\Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 13682960 HRFVMXKRYBXNOG-UHFFFAOYSA-N 403.573 4.068 30 40 HIEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 18077944 SKOFQWFKQSXWIX-LKYUAURQSA-N 415.346 4.332 30 40 HIEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22416463 JIABFVRAMJMWJB-XMMPIXPASA-N 417.415 4.471 30 40 HIEB Cc1cc(C)nc(N/N=C/c2ccc(OC(=O)c3ccc(Br)o3)cc2)n1 25501506 PPUWDPNEYLNVEN-KEBDBYFISA-N 415.247 4.114 30 40 HIEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 33768349 OMAYZWDDCYWYMS-UHFFFAOYSA-N 415.478 4.406 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1C=C[C@H]2CC1 105509648 KTDDSVMASCTATP-OAUYOWIPSA-N 420.896 4.450 30 40 HIEB COc1ccc(OC)c(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)c1 408754555 WHIBAYBMFPKMBA-LZYBPNLTSA-N 419.846 4.157 30 40 HIEB Cc1cc(OCC(=O)c2ccccc2)nc(SCC(=O)c2ccccc2)c1C#N 971691 WBFIQWBCHWBBDG-UHFFFAOYSA-N 402.475 4.498 30 40 HIEB COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 4699834 BSMNRKJALJWQMA-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 5615221 LWRDQBYRNSTMAA-LPYMAVHISA-N 401.382 4.136 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(OC)cc1 6001534 WDMJWKOKUSRYHF-MRXNPFEDSA-N 411.527 4.091 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(Br)c1)n1ncnc1N2 14608161 CGVJFIJABFOYMI-KZULUSFZSA-N 411.259 4.049 30 40 HIEB Cc1ccc(N/C(N)=N/c2nc(O)cc(CSc3nc4ccccc4s3)n2)cc1 18163424 DNQBBFZKWCDKDV-UHFFFAOYSA-N 422.539 4.451 30 40 HIEB CC1(C)CC(=O)C(=CNc2cccc(N[C@H]3CC(C)(C)CC(=O)[C@H]3C#N)c2)C(=O)C1 20095857 ONHHGCWTLSCVFB-HKUYNNGSSA-N 407.514 4.250 30 40 HIEB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 25282610 WEWLOVOCMLKEBS-UHFFFAOYSA-N 403.313 4.135 30 40 HIEB CCOc1ccc(C(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35311750 SXLGCLIHLMYNCX-UHFFFAOYSA-N 402.498 4.354 30 40 HIEB C/N=c1/scc(-c2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 103371718 VDSLYKNKNUVAOQ-SZKMXGIOSA-N 403.891 4.006 30 40 HIEB CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1I 408908055 APMSYEWWVQMGFD-YVLHZVERSA-N 411.199 4.044 30 40 HIEB CCOC(=O)COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Cl 408910873 LRCMRIGIBHHVSJ-UKWGHVSLSA-N 412.229 4.290 30 40 HIEB C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OCC)c1O 408930851 CVYGDOIMBPXHBJ-WQRHYEAKSA-N 412.873 4.266 30 40 HIEB COCc1ccc(CN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1 585294023 MVBCEXMULKKKHP-QFIPXVFZSA-N 418.501 4.262 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 2213273 JSBRSFPMIYEVEP-ZABCRHKISA-N 411.527 4.292 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1cccnc1 2383407 FDNKYOZWQUGNNK-UHFFFAOYSA-N 422.558 4.103 30 40 HIEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1C 4849199 GBAHVKHSYFIFKT-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB CC(C)(C)c1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1 4945438 DVPCOODCRFDZCI-UHFFFAOYSA-N 413.524 4.195 30 40 HIEB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCC#N 6313901 BXCXKAWFFYJCMR-UHFFFAOYSA-N 410.499 4.047 30 40 HIEB Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 6926331 KKBZGQCAEJMBCQ-SRZZPIQSSA-N 409.711 4.391 30 40 HIEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Br)c1O 9296656 IJTURGYXTPTOKE-XNTDXEJSSA-N 419.300 4.445 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c(OC)c1 13721337 MVCVBYLWINNBGL-YVNNLAQVSA-N 419.433 4.265 30 40 HIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N 14728623 MTVRUWDYQCWAPA-UHFFFAOYSA-N 408.820 4.455 30 40 HIEB CCOc1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OCC 16922598 WHWWLSXGECRFTG-OEAKJJBVSA-N 401.576 4.251 30 40 HIEB CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OCC#N 408756491 SJZIOQDBEBJWLO-ZHZULCJRSA-N 407.495 4.442 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 408841812 HTQXRHMTDMVZBM-NRFANRHFSA-N 401.462 4.383 30 40 HIEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)c1 408998082 HYIPZURCDGWHQF-QNGOZBTKSA-N 405.450 4.137 30 40 HIEB CCCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)O)C2=C1C(=O)CCC2 409073603 WIJHDUQEDVZMKP-UHFFFAOYSA-N 423.509 4.364 30 40 HIEB CCOC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409109059 XGBGAFDHARAHJK-LSHDLFTRSA-N 411.336 4.002 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OCC)c2)C1=O 409140181 FSXUFTMTTOVUNA-JXCQQFQQSA-N 423.307 4.104 30 40 HIEB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O 409229001 IIFDWIRRWGUBKK-WOJGMQOQSA-N 408.527 4.209 30 40 HIEB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\N1C(=O)CSC1=S 409341250 ANYZPRMETAIXHX-JJFYIABZSA-N 400.569 4.357 30 40 HIEB COc1ccc(OC)c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 4876133 IAZIORFFURIHSV-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(OC)c3)S2)cc1 5234002 TWIDYLAPDLEPDY-KMUCBOENSA-N 411.527 4.038 30 40 HIEB CCOC(=O)c1ccc(-c2ccc(/C=N/C3=NN(c4ccccc4)C(=O)C3)o2)cc1 5871422 UNGWFQANGJKQSS-BUVRLJJBSA-N 401.422 4.293 30 40 HIEB COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1ccccc1C(F)(F)F 7039904 BSVLTDATNLDZKG-LSHDLFTRSA-N 413.421 4.052 30 40 HIEB C=CCc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1OC 7505036 VXJHIWLGAIUHCP-UHFFFAOYSA-N 404.432 4.405 30 40 HIEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9283582 OBILCWKGODTXEF-NSHDSACASA-N 413.405 4.144 30 40 HIEB Cc1ccc(CN/C=C2\C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 20558933 PBXUTKNNOJVHEU-XQNSMLJCSA-N 418.518 4.159 30 40 HIEB O/C(=N\c1nnc2ccc(Cl)nn12)c1cn(-c2ccccc2)nc1-c1cccs1 32860462 HCBFVWUQJRIIIN-UHFFFAOYSA-N 421.873 4.328 30 40 HIEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OCC 100765338 HNZMKGODLJMWRK-PMACEKPBSA-N 409.501 4.251 30 40 HIEB CCCCCCCCCCCCN1CN=C(NS(=O)(=O)c2ccc(C)cc2)NC1 101981009 XURJBAHBNUTEPK-UHFFFAOYSA-N 422.639 4.370 30 40 HIEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 102801057 BAIPLELPHDEKAP-JBCNATCCSA-N 414.417 4.217 30 40 HIEB C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623894 PWXANRQJTUOIIO-UHFFFAOYSA-N 411.310 4.449 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)o1 253570736 OAIVVSWZFHVGCB-MURGUZOFSA-N 406.869 4.440 30 40 HIEB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1ccc(C)cc1 408916131 VCBLLZMCECTKCO-NMSSZPRHSA-N 410.495 4.472 30 40 HIEB Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)c(C)n1NC(=O)c1ccccc1 409217222 OCKDTWTYYXEWON-GATIEOLUSA-N 401.392 4.349 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1OC 2445968 VTSSDQJWZJYVRU-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4COS(C)(=O)=O)[C@@H]3CC[C@@H]2C1 4104869 SBINUGUVXWZQRO-DVWPCDKSSA-N 424.603 4.473 30 40 HIEB biogenic,in-vitro C=CCc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1O 4670521 ONEKDFMJRBDSRZ-NUIIPWOLSA-N 417.490 4.434 30 40 HIEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@@H](C)COC 4889417 GWABGCGQESQLSW-ZWKOTPCHSA-N 412.534 4.222 30 40 HIEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 6295416 XWVNNHRUVFLPIB-IBGZPJMESA-N 415.967 4.366 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 6785274 FKABMQIVSNGYPG-NHFXJNLRSA-N 412.917 4.104 30 40 HIEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1I 8427012 UJGBJOGZFDAFQN-LVZFUZTISA-N 421.234 4.197 30 40 HIEB C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 9949267 ZXYYXIMWTDOEMF-OAHLLOKOSA-N 423.538 4.421 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccs1 10303403 XPWWMBGRZIAPIX-UHFFFAOYSA-N 401.513 4.185 30 40 HIEB O=C(O)c1cc(/C=N/c2ccccc2I)nc2ccccc12 102457871 NXOYDOBCEYPNJO-VXLYETTFSA-N 402.191 4.288 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 102861678 KOKMHMIJVHRCSI-JBCNATCCSA-N 407.510 4.442 30 40 HIEB Cc1ccc([C@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1Cl 104101919 NMDAVBDIBJTKAG-OAHLLOKOSA-N 405.841 4.381 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 226662893 WWRXLKKVHLBDIO-VMINFOCJSA-N 421.500 4.077 30 40 HIEB O=C(O)c1ccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 408541386 CMTUQHPABFWOHL-SSDVNMTOSA-N 404.382 4.335 30 40 HIEB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC#N)cc1 409038938 FZISWOIHTPGTKX-XYOKQWHBSA-N 407.298 4.091 30 40 HIEB N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)s1 585294367 QGTZDEURNXOYJJ-FQEVSTJZSA-N 400.511 4.972 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 2193817 WMVWANYBUHFNCK-IIGRLWHBSA-N 411.527 4.338 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccc(F)cc4)nc13)O2 5351795 SQJMFSHCCFMTPQ-GOSISDBHSA-N 402.385 4.055 30 40 HIEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 5520019 PJWVXCGRQHXSDT-WJDWOHSUSA-N 402.317 4.407 30 40 HIEB COc1cc(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC#N 6441234 MXCKKPOXMYCBIR-SRZZPIQSSA-N 409.427 4.075 30 40 HIEB N#Cc1ccsc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 7016299 JCJVYEBJQMFLAB-UHFFFAOYSA-N 403.419 4.223 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 8973511 CJVWETUDYKOWHS-QGZVFWFLSA-N 410.407 4.028 30 40 HIEB COc1ccc(/C=C2\Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccncc2)C4)cc1 12442669 KMMQULUFEMPXKT-UUYOSTAYSA-N 414.461 4.367 30 40 HIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 17187402 SLYCLVYGPRJVKU-LBPRGKRZSA-N 415.808 4.227 30 40 HIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 40266951 SCPWKMKQYHDSRG-RBZFPXEDSA-N 406.417 4.197 30 40 HIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(I)cc1 59105722 SMDSTBBJYCZPNR-NTEUORMPSA-N 424.238 4.322 30 40 HIEB C=CCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1OC 408804093 VRGANBXEFMGJGS-UHFFFAOYSA-N 411.503 4.340 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cccs2)C1=O 409055196 XFBDYZSCZOCLOD-UVTDQMKNSA-N 419.911 4.263 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409350692 YUGRSBYJDOJGLW-UYRXBGFRSA-N 411.504 4.122 30 40 HIEB N#CCn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409378391 PAMIVVQSPQKBLI-ODLFYWEKSA-N 418.434 4.310 30 40 HIEB CC(C)(C)OC(=O)N1CCC(N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C2CC2)CC1 1534676843 YTHRUXSJEUPKEB-LEWJYISDSA-N 409.530 4.052 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2617650 SLEXJLXPZOXZKZ-JOCHJYFZSA-N 405.527 4.081 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2sc(C)c(C)c2c1=O 3317953 VASHNTMCCQIDCM-DOMZBBRYSA-N 405.589 4.048 30 40 HIEB N#Cc1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCCCC2 3379165 MOYZMNLLLMMHBC-UHFFFAOYSA-N 421.522 4.484 30 40 HIEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4cccs4)nn32)ccc1O 4106346 MJGJBBKRIYFIKS-LJQANCHMSA-N 408.483 4.133 30 40 HIEB Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)c1 5164683 LRHMPSQMHKOTHB-LAUBAEHRSA-N 420.538 4.213 30 40 HIEB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 6408967 JUYPLBQVHYBQOB-UHFFFAOYSA-N 413.477 4.010 30 40 HIEB O=C(COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1)Nc1ccc(F)cc1 6890450 JLHUKMJPXTUUMN-UHFFFAOYSA-N 401.393 4.306 30 40 HIEB C=CCOc1c(Br)cc(CNCc2ccc3c(c2)OCO3)cc1OC 8470096 PKTFKVBUNNITDB-UHFFFAOYSA-N 406.276 4.041 30 40 HIEB C=CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 13898723 SBXSBIKECSKCTN-YDZHTSKRSA-N 403.935 4.302 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1[N+](=O)[O-] 19898391 JAVVBGNXWZUGRM-AOMKIAJQSA-N 418.449 4.129 30 40 HIEB Cc1nn2c(N3CCN(CC#N)CC3)cc(-c3ccccc3)nc2c1-c1ccccc1 20589619 NABMIGAQGOPBKR-UHFFFAOYSA-N 408.509 4.017 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1ccccn1)CO2 32501361 IJPLESQQGDRUTA-FBHDLOMBSA-N 402.425 4.497 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(O)cc2)sc1C 102882640 JKLBLRYMZKAIPK-IBOXJLQUSA-N 412.492 4.153 30 40 HIEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)cc21 408720764 CWLXHHGGILXBBB-UFFVCSGVSA-N 420.337 4.317 30 40 HIEB Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc([N+](=O)[O-])c1C 408806479 AXNHADPKKVZMLW-ZDLGFXPLSA-N 408.439 4.006 30 40 HIEB N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3cc4ccccc4[nH]3)cn2)cn1 585294832 VIFMKIVSMSPPLJ-HSZRJFAPSA-N 409.497 4.695 30 40 HIEB Cc1ccc(CSc2nncn2/N=C/c2cc(Br)ccc2O)cc1 940363 HTXLYGZMCBETKT-AWQFTUOYSA-N 403.305 4.229 30 40 HIEB CCn1c(C)cc(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1C 981666 LHTBWDPWZLLQFH-NVZLDUMVSA-N 424.570 4.195 30 40 HIEB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/C(Cl)=C/c2ccccc2)C1=O 2633138 LXLHQYKWGXSXTH-FIBAXTMWSA-N 419.815 4.321 30 40 HIEB CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=N\Nc1cc(C)ccc1C 4505747 GEGSMCFNIPNTTI-CLCOLTQESA-N 405.483 4.323 30 40 HIEB CCCCCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009246 LHYZTFJTGZCJCK-UHFFFAOYSA-N 421.522 4.360 30 40 HIEB CCOC(=O)c1ccc(/N=C/c2cc(I)cc(C)c2O)cc1 6439366 KBZCRUVNOVYNHC-VXLYETTFSA-N 409.223 4.233 30 40 HIEB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 8860896 AMZGVQWBJUNSGQ-UHFFFAOYSA-N 423.567 4.041 30 40 HIEB N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2cccs2)CC1 12418685 GYBKSXWVBUECEW-BQYQJAHWSA-N 424.913 4.394 30 40 HIEB COc1ccc(OC)c([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)c1 18196488 HWLSHIRGKVZAHB-VOJFVSQTSA-N 423.494 4.152 30 40 HIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 40288058 SXFPEJWRKIBECI-XOBRGWDASA-N 406.417 4.197 30 40 HIEB O=C1OC(c2ccccc2)(c2ccccc2)OC(=O)C1=NNc1ccc(Cl)cc1 67351041 JYUBRDUJHMIMGK-UHFFFAOYSA-N 406.825 4.109 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=S 408951808 KEANGLXXGJMVOV-YVMONPNESA-N 409.124 4.192 30 40 HIEB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409211833 KHCNVRQVGMOKBK-HVOBPNNYSA-N 410.451 4.196 30 40 HIEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1OCC#N 409299623 UMAUNJBBARUOKM-UHFFFAOYSA-N 416.481 4.237 30 40 HIEB C=CCc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1O 1531382884 RGRDGQYTLOMQCT-WGOQTCKBSA-N 411.461 4.388 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 1060109 SVIRSPJEQHMQSZ-NFJKTXFASA-N 413.860 4.090 30 40 HIEB biogenic CC(=C/c1ccccc1)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 1953626 LUTLZAWJOLEZFO-FTCCNZMVSA-N 405.550 4.353 30 40 HIEB Cc1ccc(C(=O)C2=C(N)OC3=C(C(=O)CCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2152330 HOLJUVPQAJBKMU-LJQANCHMSA-N 404.422 4.077 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCCCC(=O)c3ccc(F)cc3)nnc12 3365285 WINAQGSUWUNBAY-UHFFFAOYSA-N 422.485 4.125 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc21 4492818 XFFKRMKTVDGHOJ-QGZVFWFLSA-N 422.554 4.178 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6412900 BAYWHAMXOQLZIJ-OAQYLSRUSA-N 416.433 4.331 30 40 HIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1OC(F)F)n1ncnc1N2 9487554 BRAIBTVNYINTEW-MPBGBICISA-N 424.407 4.001 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19015912 RETBSXFNZGMFGC-SANMLTNESA-N 420.528 4.356 30 40 HIEB CCN(CCC#N)c1ccc(CNC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C)c1 22933201 GWNJXJKWEDSSMF-RUZDIDTESA-N 424.564 4.037 30 40 HIEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)S2)cc1 23382835 YXJVPAHCLBBFFA-IUXPMGMMSA-N 402.859 4.359 30 40 HIEB CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)O2 101106952 SZNHFCZGEJFZIL-LJQANCHMSA-N 407.514 4.339 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 102525802 BJPUADXKLYEESL-JBCNATCCSA-N 403.434 4.219 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)c1 102803565 SOVZRZWRDVTWNC-NHFXJNLRSA-N 420.852 4.370 30 40 HIEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619307 FFQGSOLHHVTRBI-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3ccccc3)NC2=O)c2ccccc21 408808761 FKJPYXZWYDAXEJ-MOSHPQCFSA-N 419.506 4.404 30 40 HIEB CCOc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 409050180 ZXRHXCIGICGPCV-VLSPTERQSA-N 422.484 4.311 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 409228110 UEDOIHLGENESTB-SFQUDFHCSA-N 419.868 4.456 30 40 HIEB COc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 4119060 DIOFCYLOKOJMDU-XQNSMLJCSA-N 403.490 4.060 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)sc1C 4310833 SWFYOFZOSFUMGQ-GOSISDBHSA-N 406.463 4.248 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1 5488645 PSECANMZWVVVCU-WOOAAIBNSA-N 416.905 4.005 30 40 HIEB C=CCOc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1OC 11535201 CRUWFNSNEMZQJU-UHFFFAOYSA-N 406.438 4.035 30 40 HIEB O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1Cc1ccc(F)cc1 13583865 UEUMMIGASYBCBA-PGJJUSORSA-N 406.280 4.054 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 13843808 WCICEEUZNQRRLP-QGRAFYFBSA-N 412.945 4.083 30 40 HIEB C=CCN(C(=O)CCn1c(=O)n(C)c2ccccc21)c1nc(-c2ccccc2)cs1 14055224 VYDQSGUHRYVOOU-UHFFFAOYSA-N 418.522 4.073 30 40 HIEB C=CCNC(=S)N/N=C\c1cc(Br)ccc1OCc1ccccc1 35409483 VWEAQDVZQIVJCT-MTJSOVHGSA-N 404.333 4.012 30 40 HIEB COc1ccc2cc([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc2c1 39563643 ZCBATMJZDQORLR-NRFANRHFSA-N 404.857 4.466 30 40 HIEB N#Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1N1CCC(O)CC1 72304341 KWNMPFVMXKKKLR-UHFFFAOYSA-N 415.946 4.045 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409291468 XPYGEEYYIXOLDL-UHFFFAOYSA-N 409.287 4.210 30 40 HIEB COc1ccc(Cl)cc1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409361266 RKJJCLHYZQVPHN-UHFFFAOYSA-N 422.872 4.054 30 40 HIEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1OC(C)(C)C 409402167 DBGIUEMMDWHZOP-DFEHZGFQSA-N 416.905 4.057 30 40 HIEB C#C[C@@](C)(CC)NC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 1423260 ALDNCVPBXCMQOF-FQEVSTJZSA-N 400.404 4.255 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 1446545 KYNISLDGEBSIKY-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC 2055370 CIKOJUMGHPVOHB-HXUWFJFHSA-N 413.514 4.261 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2sc(C)c(C)c2c1=O 2335259 KZMAYJTWQCDIJF-UHFFFAOYSA-N 417.531 4.439 30 40 HIEB C#CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC 4535189 IYISPAPFCNKSMU-UHFFFAOYSA-N 405.494 4.141 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 6786631 NJGCSPASSSDPIT-HXUWFJFHSA-N 407.397 4.206 30 40 HIEB CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cc(Cl)ccc1C 6882045 XOVVLKYECKHIHR-UHFFFAOYSA-N 419.312 4.073 30 40 HIEB COc1ccc(/C=C/c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1OC 7276020 UZJPPUFNOCVTEC-PKNBQFBNSA-N 416.481 4.060 30 40 HIEB COc1ccc(CNc2oc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc2C#N)cc1 8474757 CJVJWRZJICFBEL-JXMROGBWSA-N 421.453 4.363 30 40 HIEB Oc1ccc(/C=N/n2c(-c3cccs3)cs/c2=N\Cc2cccnc2)c(O)c1 16035354 AUAIZMAAJQHWPC-LDYSMASRSA-N 408.508 4.067 30 40 HIEB Cc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 100769173 CPCOKAFJUKNION-OUKQBFOZSA-N 422.510 4.011 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccsc1)C2 585107194 RDQVIVFJCKVGBH-HSZRJFAPSA-N 404.539 4.000 30 40 HIEB O=CN(/C=C1\Sc2ccccc2C1=O)c1ccccc1I 4689523 JFYVVKOKYNJQBJ-DHDCSXOGSA-N 407.232 4.084 30 40 HIEB COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCC#N 5743977 OKCKATUPDIYQLT-XNTDXEJSSA-N 412.239 4.341 30 40 HIEB Cc1nc(SCC(=O)NC2CCCCCC2)c(C#N)cc1C(=O)Nc1ccccc1 6083143 VDYBOQIFZXPTTD-UHFFFAOYSA-N 422.554 4.445 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)n1 6648678 OYIJEKIIOTUTIG-QGZVFWFLSA-N 404.447 4.313 30 40 HIEB CC(C)(C)c1cc(/C=N/Nc2cn[nH]c(=O)c2Br)cc(C(C)(C)C)c1O 13027622 DCMAFLJZHGADPL-ZVBGSRNCSA-N 421.339 4.279 30 40 HIEB CN1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)c(-c3cccs3)c2C1 20813565 KKYFNBICCKJZHK-UHFFFAOYSA-N 401.557 4.103 30 40 HIEB CSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 22608388 HWNNVSFVJOJAPH-VFZGTOFNSA-N 405.321 4.031 30 40 HIEB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc3ccccc3n2CCC#N)c(C)c1 24834674 GYNYCBYPAJEEMH-MRXNPFEDSA-N 421.526 4.396 30 40 HIEB N#CC(CCN1CCN(C(=O)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 32819972 SWRWXORUUYSOQH-UHFFFAOYSA-N 409.533 4.344 30 40 HIEB Cc1c2c(cc3c1O/C(=C/c1ccc(F)cc1)C3=O)CN(Cc1cccnc1)CO2 57165784 GPUMSJOYBZYTDU-ZVBGSRNCSA-N 402.425 4.497 30 40 HIEB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\S/C(=N/c2cc(C)cc(C)c2)NC1=O 59426773 ADXZYUAQLUSTMQ-NVMNQCDNSA-N 413.455 4.120 30 40 HIEB CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=N\Nc1cccc(C)c1C 100149412 PAUPBTAOCBBAFQ-CLCOLTQESA-N 405.483 4.323 30 40 HIEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC#N 106689615 PZCJYWKFWBVSHZ-UNOMPAQXSA-N 412.442 4.363 30 40 HIEB CCOc1ccc(/C=N/Cc2ccc(C(=O)O)cc2)cc1I 197731603 UPDAXNMSVGYJQP-YBFXNURJSA-N 409.223 4.007 30 40 HIEB CCOc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1cccc(C)c1 409339592 WPWPWMBVABKRRT-SRZZPIQSSA-N 400.525 4.167 30 40 HIEB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)cc1 917553 KFYGTTOIJVLEFH-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB CCCN(CCC)C1=C(C(=O)c2ccccc2)N(CC)S(=O)(=O)c2ccccc21 2295603 LPEFKXLABARDIZ-UHFFFAOYSA-N 412.555 4.384 30 40 HIEB O=C1C(=CNc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(=O)c2ccccc21 2561926 LFOSYRLNHGXYHX-UHFFFAOYSA-N 415.289 4.374 30 40 HIEB CN/C(S)=N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 4514620 CBQHUHISOYPFAK-NKVSQWTQSA-N 412.298 4.060 30 40 HIEB CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238238 BMINSDULQHCERL-UHFFFAOYSA-N 404.495 4.163 30 40 HIEB O=C(O)C[C@H]1S[C@H](c2ccccc2Cl)N(/N=C/c2ccccc2Cl)C1=O 6513727 MGUGVACYUTUXBZ-LDSVYWLUSA-N 409.294 4.445 30 40 HIEB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C#N)c(C)c1C 7188890 YHSYYPZJSAWKMD-OAHLLOKOSA-N 408.527 4.123 30 40 HIEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1C 13845564 HRDAUKRLFBKGEJ-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc(OCC)cc2)c1=O 28537909 SIOYHUXCGMHUCA-UHFFFAOYSA-N 424.526 4.268 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(C(=O)O)cc1 54073575 BRKDHPFOXCWTGT-ZQRXGZGKSA-N 424.478 4.192 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2ccccc2)no1 102887097 YQOHRHANIVTCSZ-YDJIHCHBSA-N 400.390 4.356 30 40 HIEB C#CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC 108932236 XSHCFJXFROBPJT-JJFYIABZSA-N 407.253 4.003 30 40 HIEB CCOc1cc(/C=N/Nc2nc3ccccc3n2CC)cc(Br)c1O 408692543 OXOKNBKKPVCKFO-RGVLZGJSSA-N 403.280 4.369 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 1305211 FVJLNUHIIAGOKI-OJSPLJLUSA-N 401.513 4.163 30 40 HIEB Cc1sc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 2794851 HVCSFLDSJWXOSE-TZRIAGMCSA-N 406.507 4.385 30 40 HIEB CCOc1c(Cl)cc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1OC 5203838 KEKNTHXKSVRQKA-ATVHPVEESA-N 417.889 4.134 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@H]2C)n(Cc2cccs2)c1C 8119051 VIGQQBJPDWXIMP-OAHLLOKOSA-N 404.539 4.476 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 9428657 WVZFZYHDTSDKSY-LJQANCHMSA-N 422.368 4.105 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2C1=O 12816173 CGDMJQAAWWCOTK-UHFFFAOYSA-N 423.881 4.498 30 40 HIEB C#CCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 13995407 XLYLKHNGWVRNHH-YCRPNKLZSA-N 421.497 4.495 30 40 HIEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cs1 24794282 SALJGICHUKKZJT-HNNXBMFYSA-N 413.499 4.229 30 40 HIEB COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c1 36066013 DAVAYDQMGPVISK-OOXYOOLHSA-N 409.482 4.258 30 40 HIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(OC)ccc2OC)cc1 40286492 KVXQPNJAXPABBF-GOSISDBHSA-N 403.438 4.025 30 40 HIEB N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 89823056 BNJUJWFFDLEQSL-HSZRJFAPSA-N 421.460 4.119 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1 101252808 HPYXJYJECHFNPV-SMIHKQSGSA-N 423.472 4.226 30 40 HIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107465231 IUXQGNPPYUKQIR-WSMBLCCSSA-N 408.340 4.152 30 40 HIEB COc1ccc(Cl)cc1C(=O)O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1 1211737 SRHFWRYOXPOALD-FCDQGJHFSA-N 411.801 4.261 30 40 HIEB COc1ccccc1/N=C(\O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F 3024577 BVMWXOOEDAFBND-GJZGRUSLSA-N 420.506 4.137 30 40 HIEB O=S(=O)(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 3255909 DHSRGGRZFONJIB-YDZHTSKRSA-N 418.877 4.371 30 40 HIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1OC(F)F)n1ncnc1N2 9487552 BRAIBTVNYINTEW-YUNKPMOVSA-N 424.407 4.001 30 40 HIEB N#CCCN(Cc1cccnc1)C(=S)NC(=O)c1sc2ccccc2c1Cl 12659257 ARWNDPUIRXVKTL-UHFFFAOYSA-N 414.943 4.380 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)n[nH]c1N2 18196410 OACDQSQHAGQEEO-ZBEGNZNMSA-N 408.439 4.043 30 40 HIEB CCn1cnc2c(Nc3cccc(C#N)c3)nc(N3CC[C@@H]4CCCC[C@@H]4C3)nc21 28629351 KFKCBRWHDIUARN-ZWKOTPCHSA-N 401.518 4.478 30 40 HIEB CCN/C(=N\c1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 103458503 IDBWDEKMPIKJAL-INIZCTEOSA-N 405.882 4.141 30 40 HIEB C=CCN(Cc1ccc(C(=O)NC(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1 224480411 OIBGYMJFOAKPGO-UHFFFAOYSA-N 414.571 4.290 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 408589579 LZALUDDCCJQAMU-NQODBETPSA-N 419.912 4.135 30 40 HIEB Oc1ccc2ccccc2c1/C=N/N1CCN(/N=C/c2c(O)ccc3ccccc23)CC1 1700718 PMCNJQXQVINAAP-XUIWWLCJSA-N 424.504 4.390 30 40 HIEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 6764232 FUAUQOJRMJWZHS-UHFFFAOYSA-N 403.891 4.075 30 40 HIEB Cc1csc([C@H](C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 8160912 UAOMDLDQXBHHGV-MRXNPFEDSA-N 408.552 4.485 30 40 HIEB N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 10218932 PFVLAWBHCQRIPB-UHFFFAOYSA-N 420.531 4.220 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(F)cc1 13880338 RFSSUBFEIRLKSA-HPJGCCTDSA-N 416.474 4.475 30 40 HIEB CCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 22608543 QXCMKDXLEIKKNW-MGPLVRAMSA-N 419.348 4.421 30 40 HIEB COCC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccsc1 102925935 HTFXXVLAFHGICV-TZBYAMTHSA-N 409.483 4.309 30 40 HIEB CC(C)c1c(C#N)c(N)nc2sc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(N)c12 215709310 RCZSBCIEJAIMPV-UHFFFAOYSA-N 420.420 4.122 30 40 HIEB COCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccc(OC)cc1 408943798 YZDQEHCKBZTWQQ-JLZFKDTQSA-N 418.902 4.305 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccccc2Cl)cc1 409354811 AMHYBNRGHMIWJF-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C)o1)C3=O 604404019 IHLCVUOIIFBYHV-PMFHANACSA-N 403.390 4.400 30 40 HIEB biogenic Cn1c([C@H](C#N)C(=O)COc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2ccccc21 9164929 COXCDOBDBFZCMT-SNVBAGLBSA-N 419.224 4.044 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(OC)c(OC)c1 9262917 MKGDYVXDHYHMGK-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 9498751 BZTXGTURPHIUPO-VWLOTQADSA-N 413.477 4.176 30 40 HIEB Cc1sc2nc(-c3cccs3)nc(NCCCc3n[nH]c(N)c3C#N)c2c1C 9515711 SPNUZWHEWDTOGK-UHFFFAOYSA-N 409.544 4.258 30 40 HIEB C=CCSc1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1 16008008 IPFVQCXURNUMTE-UHFFFAOYSA-N 420.741 4.250 30 40 HIEB COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1Cl)N(C)CC3)OCO2 20411244 MCOIXNDOBXKQAW-INIZCTEOSA-N 420.292 4.342 30 40 HIEB biogenic COc1ccccc1CN/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 20761309 TYSHKZNIEJZWIG-LPYMAVHISA-N 422.397 4.428 30 40 HIEB C=CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccco1 23201972 SJYUYMXSSJXTJG-LBPRGKRZSA-N 413.528 4.492 30 40 HIEB COc1c2c(cc3c1C(C(=O)c1c(C)[nH]c4ccc(F)cc14)=CN(C)CC3)OCO2 49543426 HKBCYUKYPWULNB-UHFFFAOYSA-N 408.429 4.064 30 40 HIEB biogenic C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95859228 XJAVADKMAMZXPW-UHFFFAOYSA-N 404.122 4.454 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 102875518 MDZRXUWIQNBOSD-YDJIHCHBSA-N 418.405 4.118 30 40 HIEB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCC#N)S1 408805189 JJFQSFVZUZNUOX-UHFFFAOYSA-N 400.867 4.014 30 40 HIEB Cc1cc(/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1I 408847828 SKPJQBZDBDKFRO-ZTPSMGMTSA-N 409.223 4.202 30 40 HIEB CCOC(=O)c1cc(-c2ccc(/C=N\n3cnc4ccccc4c3=O)o2)ccc1Cl 409202666 SNEJZZKQTHIRKZ-ROTLSHHCSA-N 421.840 4.369 30 40 HIEB C=CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 3999927 LYYNZZYEUHLQJL-DKOVKCOZSA-N 404.510 4.287 30 40 HIEB biogenic COc1ccc(/C(=N\OC(=O)c2ccco2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5526814 YSKMMBKDDLGVEC-YIUWNAERSA-N 405.406 4.382 30 40 HIEB Oc1ccc(Cl)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccc(Br)cc12 13382162 JGWNQCUTUZLPOS-FBCYGCLPSA-N 417.654 4.074 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)[C@H]3C[C@H]3c3ccccc3F)n2)n[nH]c1=S 69928875 BTJCKODXXYNEDZ-KBPBESRZSA-N 415.519 4.055 30 40 HIEB CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)N[C@H]1c1ccccc1OC 98086308 RWWWOVJNVDEFSY-NRFANRHFSA-N 421.522 4.338 30 40 HIEB CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 101549478 FABBRUPJPCKIOL-ZSICUCBDSA-N 424.522 4.425 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 169690757 WIFCKXHMDYGNCN-CUESJPMTSA-N 420.896 4.450 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)S2)cc1 408767039 YPZGKADYDVFYQS-UYRXBGFRSA-N 420.446 4.399 30 40 HIEB O=c1c(/C=N/C[C@@H]2CCCO2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 100700308 WSIPWESFQQVGQE-YQCVNYCESA-N 404.495 4.040 30 40 HIEB Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Br)C(=O)c3ccccc32)c(C)c1 100823057 LOYOBXXMALEPAS-FXBPSFAMSA-N 418.312 4.265 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 6605986 KLOJDLOOWVEBPK-INIZCTEOSA-N 402.903 4.336 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4814793 KTHPPLBMRYCWNF-GFCCVEGCSA-N 403.508 4.154 30 40 HIEB C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(F)cc1 7151123 LKKVXKNXTMWISF-LJQANCHMSA-N 408.502 4.382 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCCSc3ccccc32)n(C[C@@H]2CCCO2)c1C 9908933 XSJLPAFJAPEKMJ-SFHVURJKSA-N 424.570 4.097 30 40 HIEB COc1cccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1 408908123 BALLJWPXUDDQHI-UCQKPKSFSA-N 420.425 4.067 30 40 HIEB N#CCC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210931 JOPXFLWRYSEIRA-JTQLQIEISA-N 406.076 4.349 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1cccc([N+](=O)[O-])c1 8435823 HIVJZGIOHGEJIJ-ZROIWOOFSA-N 404.245 4.249 30 40 HIEB O=c1cc(/C(O)=N/c2nc(CN3CCc4ccccc4C3)cs2)oc2ccccc12 21681326 XHQMKZUWUZEFPA-UHFFFAOYSA-N 417.490 4.444 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 2055204 KFSWIPOLTPWBCN-OAQYLSRUSA-N 411.498 4.175 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 3235631 VZANPMAPKNHMNS-UHFFFAOYSA-N 414.486 4.456 30 40 HIEB COc1cccc(/C=N\N2C(=O)CSC2=S)c1OCc1ccc(Cl)cc1 4700010 LCGSCZJWERKHSJ-UKWGHVSLSA-N 406.916 4.122 30 40 HIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(C(=O)O)cc1 5127558 AIHWLYQVMPLATD-ZROIWOOFSA-N 403.257 4.039 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 6111588 QGMGCYADBPDYSM-CYBMUJFWSA-N 417.600 4.062 30 40 HIEB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N 8156275 ZSVLULBLCNCOAV-JTQLQIEISA-N 401.542 4.394 30 40 HIEB C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OCC 8254468 SVKZJZXLLBSHTA-UHFFFAOYSA-N 405.882 4.413 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1C 9312377 WJDCDIDPCJWNCC-HXUWFJFHSA-N 422.412 4.222 30 40 HIEB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C#N)cc2)o1 19929144 IYWDTSPJJQSOKT-UHFFFAOYSA-N 400.847 4.001 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1 20082790 ANVMJIRGBBCRSG-QFIPXVFZSA-N 422.525 4.005 30 40 HIEB Cc1cc(S(=O)(=O)/N=C(\N)c2cc(Cl)nc(Cl)c2)c(Cl)cc1Cl 33376836 UKDVBRKXFBOCNR-UHFFFAOYSA-N 413.113 4.098 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1O 96006239 BPIWXOGOOOPINH-LJQANCHMSA-N 416.433 4.238 30 40 HIEB C=CCOc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)c1 223916940 VKEOLLIHYUKQEB-JWGURIENSA-N 418.449 4.263 30 40 HIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226334819 XYIOETRIQGJUHO-UXBLZVDNSA-N 416.227 4.126 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548676 LTEYZBROVCCMIC-YQVWRLOYSA-N 424.305 4.006 30 40 HIEB CCOc1ccc2ccccc2c1[C@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CC(C)(C)C2 818763 GXEFTIWMTQOLDJ-OAQYLSRUSA-N 421.493 4.339 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(Br)cc1 3199700 UPVQLCKYMRMSEC-QGZVFWFLSA-N 419.344 4.469 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5799645 BVYPIOPCBYPIKT-FQEVSTJZSA-N 404.422 4.165 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 5931276 MMVWLSPJQCKPIM-KRWDZBQOSA-N 424.570 4.149 30 40 HIEB N#CCCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1ccc(F)cc1 8780485 MEZSWIDKEIXBJY-UHFFFAOYSA-N 421.428 4.134 30 40 HIEB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccccc1C#N 12785472 IEHAVOLZHIPWDQ-HNNXBMFYSA-N 424.522 4.450 30 40 HIEB COc1ccccc1N1CCN(c2nc(SC)nc(-c3ccccc3)c2C#N)CC1 19820458 PYKIARVCEGASAF-UHFFFAOYSA-N 417.538 4.072 30 40 HIEB C=CCN(Cc1cccs1)C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1 21930373 NWXBJIRWAUXETI-UHFFFAOYSA-N 404.948 4.164 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 1506004 FTDSEZIAMKBRFG-YCIYHOANSA-N 413.860 4.090 30 40 HIEB biogenic CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 2849993 FKRPSAZSCNREIM-YDZHTSKRSA-N 405.951 4.233 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccc(Cl)cc3)nnc12 3542516 HEZSGXAZFXTRIC-UHFFFAOYSA-N 412.902 4.055 30 40 HIEB Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C 4004567 HBSAJAUGKWEPLX-LFVJCYFKSA-N 419.485 4.134 30 40 HIEB COc1ccc(N/C(S)=N\c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 8687861 GXXHYOHYGSDGIM-UHFFFAOYSA-N 419.572 4.208 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2ccsc2c1=O 12636464 GVNQLVYAUYCRRJ-KBUPBQIOSA-N 405.589 4.066 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)n[nH]c1=S 12948131 NICYPFICOYWUQV-UHFFFAOYSA-N 415.588 4.329 30 40 HIEB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N(C)C3(C#N)CCCCC3)cs2)cc1 18529762 RPXTXOWIRBYZRN-MRXNPFEDSA-N 411.527 4.349 30 40 HIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCN(C)C3 19708323 SYOMAHSFWGOEFN-UHFFFAOYSA-N 411.596 4.357 30 40 HIEB CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 20233523 IOLIRWZAQBMGHV-LFVJCYFKSA-N 424.522 4.285 30 40 HIEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20490308 RICCZECXQXKEDO-UHFFFAOYSA-N 408.479 4.196 30 40 HIEB CC(C)n1ncc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cnc21 24863964 FBTWQLHPJAINRY-UHFFFAOYSA-N 402.483 4.183 30 40 HIEB CCOc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N 35311865 LILWHEJIGZQOTO-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OCC)cc1 66091530 YGZWJRJWARSQSN-OAQYLSRUSA-N 409.482 4.090 30 40 HIEB CC(=O)n1nc([C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1C 95708081 MGPBQLGSEDKWCX-ZETCQYMHSA-N 408.167 4.343 30 40 HIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076630 DBOOUAOLPHVRQB-UHFFFAOYSA-N 400.378 4.303 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1Cl 100418403 JROXTAZDTVBLCH-JTQLQIEISA-N 414.811 4.077 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(Cl)ccc3Cl)c2C#N)C1 3266271 YVEKNUSFZAXEDB-SECBINFHSA-N 424.309 4.242 30 40 HIEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1 3303694 QFODNKFPCXTCDB-QVHMZZSFSA-N 413.905 4.092 30 40 HIEB C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 5309644 OFPJBCCYVIPWCM-KRWDZBQOSA-N 408.523 4.408 30 40 HIEB CSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 9266683 SAGOWZACXWLYDQ-OAHLLOKOSA-N 419.894 4.220 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409300919 BAXDXWULKXUHFG-UHFFFAOYSA-N 400.276 4.044 30 40 HIEB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc1OCC 33665267 MZMDRKHRUSMYAP-IBLJXFIWSA-N 403.529 4.316 30 40 HIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224801036 QUUMTGBSJOQDOA-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB N#Cc1ccccc1Oc1ccccc1C(=O)NCC(=O)N1CCCc2ccccc21 538661365 FUVIKADFLKFHIT-UHFFFAOYSA-N 411.461 4.060 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(OC)cc1 16789026 HZCHPQVJAYOHLR-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB C=CCOc1ccc(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)cc1 2055793428 CTMNALKAAIIDAU-UHFFFAOYSA-N 405.542 4.165 30 40 HIEB COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 3098452 BXJHGDJDSVBNKR-QFIPXVFZSA-N 411.498 4.158 30 40 HIEB Cc1nn(CCC#N)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 6606216 SDRYKGDZLBCAPO-FQEVSTJZSA-N 404.470 4.035 30 40 HIEB O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6623543 PDAVQGICOMLHTM-OVCLIPMQSA-N 424.566 4.358 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 6691008 LTCVLKYFDVHJDL-QFIPXVFZSA-N 415.445 4.487 30 40 HIEB CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 6781947 NFPJVFULVVBNGA-NRFANRHFSA-N 418.449 4.240 30 40 HIEB Cc1ccc(C(=O)/C(=C(/S)NCc2ccc3c(c2)OCO3)[n+]2ccccc2)cc1C 6846134 HFGYAZKZQLDLTG-UHFFFAOYSA-O 419.526 4.048 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 8370011 BGPUOONBMHDFHI-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccccc1C 9327749 FFQCNWPTCOVCEY-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB CCCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nnc1-c1cccc(C)c1 9994380 SBKBSBGWOVPGCP-UHFFFAOYSA-N 409.515 4.476 30 40 HIEB C=CCOc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCc1c-2cnn1C 12327403 KSWVYVOXCSLXFL-UHFFFAOYSA-N 400.891 4.113 30 40 HIEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1cc(Br)ccc1O 12590096 RBQDFAGDPPRYOQ-KPSZGOFPSA-N 413.058 4.237 30 40 HIEB CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N 12874542 PUKVXHWGQLRSGR-VFNWGFHPSA-N 423.900 4.352 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(Cl)s1 16086099 XYQAFFJHUKGKHF-UHFFFAOYSA-N 422.709 4.202 30 40 HIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196286 AOQIILXAEICVTE-XLFHBGCDSA-N 418.309 4.457 30 40 HIEB C=CCn1c(COc2ccccc2F)nnc1SCc1cn2c(C)cccc2n1 58155882 PCUVOOJVYGUARQ-UHFFFAOYSA-N 409.490 4.431 30 40 HIEB N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 98212878 OXDNTFXDZKESHX-UHFFFAOYSA-N 405.889 4.001 30 40 HIEB CCCN1C(=O)[C@@H]([C@@H](O)c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 100296895 XQCOPZGVLCIBGN-ANUZPMASSA-N 414.527 4.169 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 408586052 BBMMSFZRPWMERB-KEWMMQSOSA-N 407.901 4.279 30 40 HIEB COc1cc([C@H]2C(C(C)=O)=C(C)N=C3SCC(=O)N32)ccc1OCc1ccccc1 408719538 SHNKPPNWOIMYMI-QFIPXVFZSA-N 422.506 4.123 30 40 HIEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408731239 ZBGXWYKBABAXQJ-HZHRSRAPSA-N 421.478 4.092 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409160917 KHVPTFWRYQTSBK-VVHSMDIASA-N 406.869 4.060 30 40 HIEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1OCC(C)(C)C 409361739 REZSZDSWKQNENA-UHFFFAOYSA-N 415.877 4.071 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2ccncc2)cc1OC 4623239 GMXQXSULXZVLQV-KRWDZBQOSA-N 406.482 4.263 30 40 HIEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)n1 6648650 CGNPWGWRRQZSSL-GFCCVEGCSA-N 405.505 4.154 30 40 HIEB C=C(C)Cn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 6674600 WDRPDAMGIGEMHG-UHFFFAOYSA-N 417.600 4.064 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 6780870 PJZSVXZNAJOBPT-OAQYLSRUSA-N 416.433 4.018 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1Cl 9283346 JYLKAVTWMMJYCJ-UHFFFAOYSA-N 418.836 4.238 30 40 HIEB COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 13685253 AOUAAKHSRLNYRT-XKZIYDEJSA-N 403.434 4.299 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S 15012492 ZJDKQNDWXJSXRV-ZHZULCJRSA-N 421.566 4.204 30 40 HIEB Cc1ccc(-c2c[n+](CC(=O)Nc3nc(-c4ccccc4)cs3)c3n2CCC3)cc1 17247961 DDKFINRZCZPHSQ-UHFFFAOYSA-O 415.542 4.459 30 40 HIEB C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2scc(C3CC3)c2c1=O 32933408 VIGDPYSHKWBJLE-MHZLTWQESA-N 416.593 4.421 30 40 HIEB C=CCn1c(COc2ccc(F)cc2)nnc1SCC[S@@](=O)c1ccccc1 32933410 BVPZUVMRYQYWDL-NDEPHWFRSA-N 417.531 4.082 30 40 HIEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154711 FMDNGMXJVQZKKB-DJJJIMSYSA-N 404.297 4.266 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 100951132 RHVVAXSNZDSJFK-KRWDZBQOSA-N 411.527 4.176 30 40 HIEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709116 ORSQJOMXUCVVPK-UHFFFAOYSA-N 409.530 4.032 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O 408965001 FILJTFRCBLOTHM-UYRXBGFRSA-N 410.495 4.493 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c3c(c2)OCO3)S/C1=N/c1ccc(F)cc1 409245364 RQKAUJQBVFFDEE-OPZVMXLVSA-N 400.431 4.187 30 40 HIEB CCOc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 1531385634 ZNYITQGTUQLRLN-BUVRLJJBSA-N 414.421 4.253 30 40 HIEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795030 QEUNCAKSPLGJQE-XLIONFOSSA-N 409.482 4.334 30 40 HIEB COc1cccc(/C=C2/S/C(=N\c3cccc(Br)c3)NC2=O)c1OC 1261908 XJGYQTXUIGMQGO-OQLLNIDSSA-N 419.300 4.358 30 40 HIEB O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc2c(c1)CCCC2 1669548 URCLJHPLZHIBSN-UHFFFAOYSA-N 410.129 4.261 30 40 HIEB CC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 7781181 IDJOPHJFOAAFGP-FZAKWTESSA-N 411.527 4.454 30 40 HIEB CCCCCOc1ccc(/C=N/n2c(O)nc3c([nH]c4cc(OC)ccc43)c2=O)cc1 9088601 MBJNANXIBQPIEG-ZVHZXABRSA-N 420.469 4.043 30 40 HIEB Cc1ccc(NS(=O)(=O)c2ccc(N/N=C/c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 9403068 JTEFADOWNVULET-HYARGMPZSA-N 424.482 4.458 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccc(OC)c2)cc1 12408425 GKFMTDLMGJYULE-VFNWGFHPSA-N 418.453 4.066 30 40 HIEB N#Cc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O 12761988 WPHSSNLWMVICEK-UHFFFAOYSA-N 418.453 4.165 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 13161753 NJGCSPASSSDPIT-FQEVSTJZSA-N 407.397 4.206 30 40 HIEB O/C(COc1ccccc1Cc1ccccc1)=N\c1nc(CN2CCOCC2)cs1 21128786 ABQRSPJDKDNQHZ-UHFFFAOYSA-N 423.538 4.233 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCC(=O)O)[C@H]2c1ccco1 21722504 JLKDQPCQSLSDJE-QFIPXVFZSA-N 408.454 4.287 30 40 HIEB Cc1c(Cl)cccc1NCc1n[n+](CC(=O)c2ccccc2)c2n1CCCCC2 27526118 DEDNNYVSABABDP-UHFFFAOYSA-N 409.941 4.354 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc(OCC)c1O 248340202 UKHDKNYGRKQJHB-ICSRJNTNSA-N 404.514 4.132 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 409139791 ORUPQPGOQQODOT-CPNJWEJPSA-N 415.518 4.275 30 40 HIEB C=CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(OCC)cc3)o2)SC1=S 1105834 DLWKQWYJVFAXER-XNTDXEJSSA-N 412.496 4.076 30 40 HIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Cl)OCCO3 1355044 GCOXZTOZYRIWHF-UHFFFAOYSA-N 411.870 4.262 30 40 HIEB Cc1ccc(-c2nc(SCc3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1 1383231 UEZSYXJKHQVCPC-UHFFFAOYSA-N 415.566 4.368 30 40 HIEB O=C(O)c1cccc2c1-c1ccccc1/C2=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5008128 QHLBJLZMJWFUSH-QOCHGBHMSA-N 404.338 4.046 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc12 5045089 RPORTKZCACFBAU-JOCHJYFZSA-N 417.461 4.073 30 40 HIEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 8156995 AOYVUFHKTBFLBC-UHFFFAOYSA-N 415.478 4.493 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S 12343711 NASLGRREAVKNNT-XFXZXTDPSA-N 407.278 4.066 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2C[C@H]2C)C1 19462714 GUMQQLRTLGSDKF-WTSFKKHRSA-N 420.528 4.212 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 51366902 HZFOUUWXUMDLRU-MJHJUBQXSA-N 411.527 4.338 30 40 HIEB O=C1/C(=N/Nc2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1 101436537 TXSKKJJVRHDIQA-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 104190782 INEAPZUXKHWWCX-SXWSKBOKSA-N 402.884 4.484 30 40 HIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)S2)cc1 1409388 LOXFKSOAUXKBQT-MHWRWJLKSA-N 404.875 4.345 30 40 HIEB N#Cc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 3324471 GLLRRUNQWYLHTO-LJQANCHMSA-N 407.520 4.211 30 40 HIEB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)c(/C(O)=N/Cc2cccs2)c1 4262926 OFGCBYALIPULIU-CMKMFDCUSA-N 414.914 4.442 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OC)c2)cc1 16742393 YDTPOVHKPPEPSK-OAQYLSRUSA-N 407.466 4.248 30 40 HIEB COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC 32922439 QAIPIUONYNVODM-JXMROGBWSA-N 413.430 4.038 30 40 HIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 51366891 JQMMNYZAOBYFHP-KVDJPTQJSA-N 415.490 4.087 30 40 HIEB C#CCN(Cc1ccco1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 72285316 QREWKDGVZDEQSQ-UHFFFAOYSA-N 409.486 4.240 30 40 HIEB C=CCn1c(SCc2ccc(OC[C@@H]3CCCO3)cc2)nc2sccc2c1=O 89913993 BUDJHWLCVYBFQF-KRWDZBQOSA-N 414.552 4.494 30 40 HIEB N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2=CCCCC2)CC1 95453432 SLYOLYQNIPGSOT-LJQANCHMSA-N 402.336 4.048 30 40 HIEB Cc1ccc([S@](C)(=O)=N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 100301883 NNWLDNMONHJSRI-ZHKVRBCESA-N 401.431 4.411 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 102734275 HLIJUTRTSWJLDG-NSHGMRRFSA-N 414.509 4.463 30 40 HIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S1 408843975 HPQGUCBYFCSXOX-IDUWFGFVSA-N 402.859 4.277 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\C=C\c2ccco2)C1=O 409008048 VFIUPQAEGYZMGI-QVOHYOOSSA-N 409.463 4.006 30 40 HIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)c1C 409130555 WJFCESWHXBPSLP-MOSHPQCFSA-N 411.502 4.171 30 40 HIEB N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c2)cc1 609989944 AAKMLEHBYHHYTN-HXUWFJFHSA-N 422.492 4.364 30 40 HIEB Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1Cl 2235953 ZPFSKYJGZBSNSR-LTUQMTLXSA-N 405.882 4.378 30 40 HIEB CC1(C)c2ccccc2N(CC(=O)NCC#N)[C@@]12C=Cc1c(ccc3ccccc13)O2 2267692 IDIIAPARYSXYDA-AREMUKBSSA-N 409.489 4.379 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 4017979 APHPCTWDHFCCGF-KGENOOAVSA-N 411.439 4.117 30 40 HIEB O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 4052556 NGBQEQAKYGJROX-SRZZPIQSSA-N 410.257 4.289 30 40 HIEB Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S1 5006505 VWBDWVUFKKZCBC-PXNMLYILSA-N 402.859 4.003 30 40 HIEB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238251 HGYLHPJDYGXVGS-HNNXBMFYSA-N 418.522 4.299 30 40 HIEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)NC(=S)N2CC(=O)c1ccccc1 5625267 COMZENIJCRIGCJ-QHCPKHFHSA-N 407.539 4.117 30 40 HIEB CN(C)c1ccc([C+](c2ccc(N(C)C)cc2)c2cnc(N3CCOCC3)s2)cc1 16186499 NVXRMFVQCKUXQM-UHFFFAOYSA-N 421.590 4.131 30 40 HIEB Cc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 20558852 VBALIDDVTGQJRM-PXLXIMEGSA-N 404.491 4.481 30 40 HIEB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)c(OC)c1 27789347 YCBRMVOUAMYJIQ-UHFFFAOYSA-N 420.494 4.072 30 40 HIEB Cc1csc(-c2ccc(OC(=O)C3CCN(c4ccc(C#N)cn4)CC3)cc2)n1 84271403 VBRNZXKFBSIPHQ-UHFFFAOYSA-N 404.495 4.207 30 40 HIEB Oc1ccc(Br)cc1/C=N/n1cnn(Cc2ccccc2Cl)c1=S 3197408 MDXLRIGGHDYBTD-UFWORHAWSA-N 423.723 4.466 30 40 HIEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)cc1 4700753 LIIMBIKTHGAITJ-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB Oc1ccc2ccccc2c1/C=N\NC(=S)N/N=C\c1c(O)ccc2ccccc12 4721014 VEMDZVIIABTOEZ-YQTKFLBZSA-N 414.490 4.236 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(F)c1 5478474 ZOMQLYSCHHAADN-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(Cl)c(Cl)c2)nc1 6408119 TYCROCBHHZKKFT-CIAFOILYSA-N 415.346 4.255 30 40 HIEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 18205470 FBXRUPQWWWDDEE-VXHUXDJESA-N 414.453 4.044 30 40 HIEB CCCOc1c(Br)cc(/C=N/NCc2ccccc2OC)cc1OC 20763065 RRWQUIHYWAHDMK-CIAFOILYSA-N 407.308 4.379 30 40 HIEB C=CCOc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 40068013 GAXZAVGIOHJTPB-UHFFFAOYSA-N 417.303 4.033 30 40 HIEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1CC=C 59136363 XDCYUXLBFCZBNY-SAPNQHFASA-N 420.465 4.238 30 40 HIEB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)Cc1ccccc1 89608840 NEFQFHUUNJZGSK-GOSISDBHSA-N 407.470 4.313 30 40 HIEB C#CCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(NC(C)=O)ccc21 100875847 JBZRJBOKTONOJS-FXBPSFAMSA-N 424.334 4.404 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 102924896 ZAUPXYBSYZHWNQ-SELCWUDQSA-N 420.292 4.370 30 40 HIEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1cccc(C(=O)O)c1 210585427 PGENXSCPYLGYLV-RTPPHFGYSA-N 412.467 4.026 30 40 HIEB C=CCn1c(SCC(=O)N(CCC)CCC)nc2sc3c(c2c1=O)CCCC3 2340510 LAGFPDHDBCPARM-UHFFFAOYSA-N 419.616 4.264 30 40 HIEB C#CCOc1c(I)cc(CNc2ccccc2)cc1OCC 4676867 BGKOBDCOINGHBB-UHFFFAOYSA-N 407.251 4.314 30 40 HIEB CCOc1ccc2nc3c(cc2c1)CN(CCO)/C(=N\c1cccc(OC)c1)S3 4858482 YAYLWTOJEVICBM-GHVJWSGMSA-N 409.511 4.230 30 40 HIEB C=CCN1C(=O)/C(=C/c2c[nH]c3ccc(OC)cc23)S/C1=N\c1nnc(C)s1 9577583 YIDVXNHPHHNQLP-ITWSTJDGSA-N 411.512 4.126 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(C)cc2)cc1OC 18198505 QCLMRHXAOIZXPW-HXOBKFHXSA-N 416.481 4.019 30 40 HIEB COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C 20762568 OJKJRYLXNKKTNF-ZVHZXABRSA-N 408.458 4.143 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(C)c21 32092180 XTPGFLXFTVTEIG-VWLOTQADSA-N 410.477 4.055 30 40 HIEB CCn1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3c(C)noc3n2)n1 36617980 SPNMICGBNCXNDK-UHFFFAOYSA-N 406.471 4.217 30 40 HIEB COc1ccc(N2C(=O)[C@@H](Oc3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 48324971 IBWJODXSBJOKOW-PKTZIBPZSA-N 400.434 4.111 30 40 HIEB COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2ccccc2C(=O)O)ccc1O 59596679 MVUXYUZANYKVFL-ZMOGYAJESA-N 401.422 4.473 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100973899 ZPSXKGFETCHTHW-QZOVRRJPSA-N 424.906 4.160 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2Cl)cc1 408723338 RMZUOEWEKVSWAP-JNVMQLBYSA-N 420.896 4.450 30 40 HIEB CSc1nn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c(N)c1C#N 632450 BEJWMNUUNLCUID-UHFFFAOYSA-N 400.467 4.297 30 40 HIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc12 4116309 ONOKTFYAQLOIIC-IIYZAJTGSA-N 401.466 4.399 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1Br 6623589 QLZPTTCGMIJJKF-KRXBUXKQSA-N 402.288 4.190 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc(C)c1 6744010 UOTRCJBIKPTTOB-UHFFFAOYSA-N 408.458 4.282 30 40 HIEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCCCn4ccnc4)o3)o2)cc1 8845068 PJALEHGIHFHMBL-UHFFFAOYSA-N 403.442 4.392 30 40 HIEB COc1ccc(N(Cc2ccc(C#N)cc2F)S(=O)(=O)c2cccc(C)c2)cc1 10852622 OGCMARIAHDUPOE-UHFFFAOYSA-N 410.470 4.410 30 40 HIEB CC1=C(Br)C(=O)C(Br)=C(C)C1=NC(=O)c1ccc(C)cc1 16779977 RKHBGQZGXSSOSM-UHFFFAOYSA-N 411.093 4.497 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 18059433 CJVWETUDYKOWHS-KRWDZBQOSA-N 410.407 4.028 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19082663 PNCQECNFEIRVPS-HSZRJFAPSA-N 419.569 4.200 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19500200 LYDKQDONNWWWTC-XMMPIXPASA-N 419.569 4.200 30 40 HIEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 44973508 AKPQKEKCLIHQRW-INIZCTEOSA-N 410.543 4.467 30 40 HIEB CC(=O)Nc1ccc([C@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 96318696 XVKHRMMXLDJBJQ-FQEVSTJZSA-N 414.465 4.101 30 40 HIEB Cc1cccc(NC(=O)/C(=N/Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 102972170 CWJFTXIICRHNOG-HPNDGRJYSA-N 415.449 4.056 30 40 HIEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224943187 ZBRHIWVJXXMUDI-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCC2)cc1 409145077 PVIQLTMIZQUATK-AQTBWJFISA-N 411.914 4.341 30 40 HIEB C=CCN(C(=O)CSC(=S)OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3304646 MMNAYNSPGUASQN-UHFFFAOYSA-N 423.541 4.292 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(OC)c(N/C(S)=N\c2ccc(C)c(C)c2)c1 8688007 FQNGOAUBPDFJFA-UHFFFAOYSA-N 421.588 4.372 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 9171077 YPCUKQCUHVYMPA-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB O=Cc1cccc(/C=N\Nc2nnc(N/N=C/c3cccc(C=O)c3)c3ccccc23)c1 31670020 IKVKQOJSTSLISE-KGRJIBJCSA-N 422.448 4.147 30 40 HIEB CN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccc(C(=O)O)cc1 138483504 PVHGZGPBQCDBGR-DOOOOMTHSA-N 417.284 4.381 30 40 HIEB CCCCOC(=O)C(=O)/C(=C\n1c(=S)[nH]c2cc(C)ccc21)C(=O)C=C(C)C 1637583 JFSFRKMUYXRHLY-QINSGFPZSA-N 400.500 4.296 30 40 HIEB CC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 3178388 QGKSDSPWPOLCDF-UHFFFAOYSA-N 409.898 4.383 30 40 HIEB CSc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205651 KLJUEGBQOJNGPH-QKKBWIMNSA-N 404.495 4.121 30 40 HIEB Cc1nc(SCC#N)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 5336443 XWGAOUPBWAYLFE-UHFFFAOYSA-N 400.301 4.374 30 40 HIEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cc2ccccc2o1 10136539 YNSZFQJZBGPIGJ-UHFFFAOYSA-N 403.467 4.314 30 40 HIEB COc1ccccc1CN/N=C/c1ccc(OCc2cccc(C#N)c2)c(OC)c1 20763005 ZNLYHXLULUENQG-CVKSISIWSA-N 401.466 4.278 30 40 HIEB COc1ccccc1OCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 27023286 PHHRGNPVZTWCHZ-JJIBRWJFSA-N 421.522 4.474 30 40 HIEB COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCS4)cc1 32954482 FVIWCWRXLSYZRU-UHFFFAOYSA-N 401.538 4.110 30 40 HIEB COc1ccc2cc([C@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc2c1 39563644 ZCBATMJZDQORLR-OAQYLSRUSA-N 404.857 4.466 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C 102933193 BWNPUCOGIDHOLI-SELCWUDQSA-N 424.453 4.231 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1)S(C)(=O)=O 218392675 YMZWRGBVCIROAI-OAQYLSRUSA-N 400.544 4.137 30 40 HIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OC)c(F)c1 225114248 BRIDOHDIBUWSSY-UHFFFAOYSA-N 418.259 4.117 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 2055474 CTTMBVVVLCHXRD-JOCHJYFZSA-N 413.514 4.492 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1 3769804 NJFKXMLSRGNAMO-SXGWCWSVSA-N 402.859 4.003 30 40 HIEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCC(=O)O 4028942 HDVCFXRYOTXWAY-RYSNXRDVSA-N 417.546 4.338 30 40 HIEB biogenic O=[N+]([O-])c1cc(/C=N/Nc2nnc(Cl)c3ccccc23)ccc1Br 4811471 RHKLYJNDQMWYRL-QGMBQPNBSA-N 406.627 4.400 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(Cl)cc1 7720381 QAAVZDHZLCHBOB-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2cc(OC)ccc21 9423215 DWZGICNXPVFJOS-UFFVCSGVSA-N 421.449 4.146 30 40 HIEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3cccc(F)c3)S2)cc1 12412091 RLCAPVHOLGBQQZ-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 65453259 WXAKCWFITUWEFR-INIZCTEOSA-N 405.527 4.060 30 40 HIEB C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)c2cc(C(F)(F)F)ccc2S1 79019968 ILRMLOJMIMXRCJ-CQSZACIVSA-N 410.465 4.052 30 40 HIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OC)c(C)c1 224654867 IOULJCYSYXJQKC-UHFFFAOYSA-N 414.296 4.287 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409131799 YYKLOUPVAJGLJR-WOJGMQOQSA-N 412.873 4.315 30 40 HIEB COc1ccc(/C=N/n2c(COc3c(C)cccc3C)nc3ccccc3c2=O)cc1 716048 AFABQHWGSKVXEU-CVKSISIWSA-N 413.477 4.483 30 40 HIEB O=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl 828913 YINMHXWRPOWLEF-UHFFFAOYSA-N 419.500 4.431 30 40 HIEB C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccncc1 14076298 RPLKUFYZPMFOKB-UHFFFAOYSA-N 405.483 4.482 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)c2C#N)C1 14189949 MDYMTRYMSXLKCT-GFCCVEGCSA-N 409.540 4.407 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N1CC 17166994 CSDYONZGDMCBNW-CUNLUVCHSA-N 410.495 4.276 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 18154258 DCHNOVSKIOGLNB-DAFNUICNSA-N 401.495 4.353 30 40 HIEB CCCOC(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1N1CCOCC1 98087268 CPEJSOFOWNRCRG-OEAKJJBVSA-N 402.878 4.200 30 40 HIEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1OC 408752047 DYSXGHANAPPSLQ-LZYBPNLTSA-N 419.846 4.157 30 40 HIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2306882 QIQVIYVUCMQUEA-UHFFFAOYSA-N 411.465 4.177 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)no1 5800482 OPCCBMYTGITFOG-GOSISDBHSA-N 410.813 4.125 30 40 HIEB Cc1sc2ncnc(SCC(=O)N(CCC#N)c3ccc(F)cc3)c2c1C 6201024 CAZPSLINYZMLQH-UHFFFAOYSA-N 400.504 4.486 30 40 HIEB COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O 8990894 YXPDPQBIEQHYNX-JJFYIABZSA-N 400.434 4.059 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(OC)cc1 12408490 SRWMPPNCYFRRNN-UHFFFAOYSA-N 424.522 4.385 30 40 HIEB O=C(C[C@H]1S/C(=N\CCc2cccs2)NC1=O)Nc1ccc2ccccc2c1 12995525 PMHIMWXXAGVYIR-GOSISDBHSA-N 409.536 4.060 30 40 HIEB COc1ccnc(Oc2ccc(F)cc2)c1C(=O)/N=C\NOCc1cccc(F)c1 15923956 OAJBSOPCLHQZBJ-UHFFFAOYSA-N 413.380 4.051 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 20171406 QIINVWKDVILMOE-QFIPXVFZSA-N 422.525 4.005 30 40 HIEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc(-c3ccccc3)c3ccccc3n1)OCO2 46085369 KMOVBOYWBKSHHC-FSJBWODESA-N 413.393 4.380 30 40 HIEB COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CCN1C)c(C)n2C 62001572 AJIMFZVXLKEZFI-UHFFFAOYSA-N 420.509 4.224 30 40 HIEB biogenic C#CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC#C)ccc1n2CCC(C)C 73634147 BHEJCAGWBGHFKH-UHFFFAOYSA-N 401.462 4.421 30 40 HIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)NC2CCCC2)cc1 89429297 FCUQEVFVLDWQOG-UHFFFAOYSA-N 407.470 4.137 30 40 HIEB C=CCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 101211466 DBGSKOMEUCCSNO-HXUWFJFHSA-N 407.539 4.074 30 40 HIEB O=C1CS/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1cccc2ccccc12 2329577 TUXUKMFRAIEAAC-OXYYMIMUSA-N 404.451 4.214 30 40 HIEB N#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 8135339 BUZBGMNHGFCOCZ-FQEVSTJZSA-N 414.490 4.081 30 40 HIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 12652058 UVLYKOSNZJXHTP-AFUMVMLFSA-N 422.476 4.253 30 40 HIEB CCCCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N 13691212 HBCIIQANTYQSNS-CQSZACIVSA-N 415.559 4.308 30 40 HIEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 17082321 QCHLMIIMPKMMRM-UHFFFAOYSA-N 402.245 4.102 30 40 HIEB COc1ccc2nc(NCCNC(=O)Nc3ccc(C(C)C)cc3)c(C#N)cc2c1 35312338 MEAIPLADEZBPLL-UHFFFAOYSA-N 403.486 4.472 30 40 HIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 100324076 VMMIQSBRXBDDCP-RGVLZGJSSA-N 424.329 4.045 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222362682 YBNSKGUKYSIPSP-FXRGDGPESA-N 400.478 4.014 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 409157307 IIRIYLIQXLFTPT-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)cc1C 409314806 HHGFYSZHHOGRHJ-UHFFFAOYSA-N 414.303 4.311 30 40 HIEB C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)C#Cc1ccccc1)c1ccccc1 1547139775 JHXBYQJVECWVEW-CHZKFRDHSA-N 420.553 4.129 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 2442295 XQIYAZPWLPPZEW-UHFFFAOYSA-N 408.527 4.336 30 40 HIEB COc1cccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N3)c1 4189678 RXBYKPMPKAEVHN-FQEVSTJZSA-N 401.470 4.007 30 40 HIEB C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 4567641 TYQGSRXOGLFWAK-OQKWZONESA-N 419.550 4.352 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(F)cc2)C2=C(C[C@H](C)CC2=O)N1 4802963 CQJJNDWWVWJGAC-XMHCIUCPSA-N 405.473 4.382 30 40 HIEB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 6315387 KZIMZDSVBHIQTJ-UHFFFAOYSA-N 410.433 4.001 30 40 HIEB aggregator C[C@@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)O 12852398 YOKJHMVEKRWYGV-ZHAHRWAOSA-N 402.830 4.249 30 40 HIEB C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccco1 13154564 VPSUPNVJUMMGOX-RYSKPNPXSA-N 418.316 4.105 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 16732445 QFOYKUIBJIQMIW-IFMALSPDSA-N 419.477 4.009 30 40 HIEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1=O 19597466 ONQGAEFVDHYCBZ-FMQZQXMHSA-N 405.281 4.361 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccs1 19848956 DYYRAFZHYKLLMU-OYHNWAKOSA-N 409.507 4.291 30 40 HIEB CCOC(=O)C1CCN(CN2C(=O)/C(=N\c3ccc(C)c(C)c3)c3ccccc32)CC1 20036715 LJVWHDDNMWOCNO-RWEWTDSWSA-N 419.525 4.003 30 40 HIEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 20635451 JXQIRJSMEYKJBJ-KRWDZBQOSA-N 409.921 4.267 30 40 HIEB CN/N=C(/CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841653 AYJVPGABEZOFAX-GGMSWHNTSA-N 419.525 4.082 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)N(c2ccccc2)C(C)C)=N1 57401659 GTVDHWYUYVNWDB-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB O=C1N/C(=N/N=C/c2ccccc2)S/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 227149853 MJBPOWDHDXERJZ-CGQBXHPFSA-N 417.446 4.239 30 40 HIEB COc1cccc(/N=C/c2cc(Br)c(I)o2)c1 408951224 IJCGRSZYCIDOKO-VIZOYTHASA-N 406.017 4.406 30 40 HIEB CCOc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1 409205553 PIFHEVIVAYSOES-XGICHPGQSA-N 421.840 4.025 30 40 HIEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1O[C@H](C)CC 409355824 LRXOMJXRUNAFDB-CYBMUJFWSA-N 415.877 4.214 30 40 HIEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1-c1ccccc1 5403931 QYESYGNOALAPCN-XKZIYDEJSA-N 408.523 4.324 30 40 HIEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5408121 RNQGULCZIHCLMY-KHAGQWAKSA-N 415.346 4.332 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2Cl)cc1OC 6198714 UIZXYNLSPRLXHB-KRWDZBQOSA-N 422.264 4.219 30 40 HIEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)S2)c1 6276204 WDSVCCCOMZYELL-CPNJWEJPSA-N 403.463 4.376 30 40 HIEB COc1cccc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 8210693 BOYXEKXXAOPQRS-REZTVBANSA-N 401.054 4.382 30 40 HIEB CCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 8434863 YKIHGVDBCPLPKT-UHFFFAOYSA-N 400.548 4.076 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 8845238 OTGQWGNUVQDSLN-SZNDQCEHSA-N 419.433 4.283 30 40 HIEB N#Cc1cccc(S(=O)(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)c1 14099851 CKGHCVNOVQFDDD-UHFFFAOYSA-N 403.415 4.099 30 40 HIEB CCCN1CCc2c(sc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c23)C1 20566012 JQGCHMGLYPLXHF-CVKSISIWSA-N 420.542 4.048 30 40 HIEB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccc(C#N)cc2)CC(O)=N3)c(OC)c1 44922180 QOECWULOVNCQGL-MRXNPFEDSA-N 417.421 4.188 30 40 HIEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)cc1 57165214 SMWZUDWTTQZTOT-SSDVNMTOSA-N 414.461 4.367 30 40 HIEB COc1cc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)ccc1OCC(=O)O 96998053 QHARDZNISQGXTR-WCIBSUBMSA-N 409.221 4.124 30 40 HIEB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Br)cc1 100291753 PTLRJUVJQKDGJH-TXZCWDHISA-N 417.284 4.412 30 40 HIEB Cc1ccccc1[C@H]1CN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 582763622 PBBUTHMLNXYFBI-HXUWFJFHSA-N 402.416 4.148 30 40 HIEB CCc1ccc(/N=C2\S/C(=C/c3ccc(OCC#N)c(OC)c3)C(=O)N2C)cc1 4664380 DKUQMUKDSQFKFR-NVTWWLNUSA-N 407.495 4.394 30 40 HIEB CCn1c(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccc1C 7044733 JMXFGHWBCOSIPB-KRWDZBQOSA-N 411.575 4.439 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@H]3c2ccc(C(C)C)cc2)cc1 9660448 RXMCLRYAOYCCAH-MBSDFSHPSA-N 415.497 4.221 30 40 HIEB COc1ccc(NC(=S)NCCCNc2nc3c(C)cccc3cc2C#N)cc1 35292323 UQLBGWHLSUWCKN-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1 72289412 LNBAKXVNRWBQSE-JOCHJYFZSA-N 406.530 4.183 30 40 HIEB C=CCCC(=O)[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 79670104 JVTHREVWRKDEAM-NRFANRHFSA-N 407.466 4.294 30 40 HIEB O=C1/C(=N/Nc2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100006193 ZSOTXDDLBFIYGW-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)/C=C/c1ccccc1 409124174 JPQKGMSGJJZBCM-WNBFALQDSA-N 409.445 4.206 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)c1 409339358 UNAQLSFOMMBVBN-XSFVSMFZSA-N 422.506 4.489 30 40 HIEB Cc1c(Cc2ccccc2)sc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(N)=O 671961 AKCPUGYDNIONRY-AUEPDCJTSA-N 423.450 4.134 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2ccc3ncsc3c2)sc2c1CCCCC2 2644716 WMILPYCSDIZTEF-UHFFFAOYSA-N 411.508 4.294 30 40 HIEB CCOC(=O)CN(C(=O)CSc1nc2c(C)cccc2cc1C#N)c1ccccc1 4125521 VWUPOULGZFAHBV-UHFFFAOYSA-N 419.506 4.103 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F 6238811 VOCFVRBLZNVIPP-GOSISDBHSA-N 403.837 4.094 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)o2)n(-c2cccc(F)c2)c1C 8487903 WKNBCMLRKGEWSL-UHFFFAOYSA-N 411.462 4.096 30 40 HIEB C=CCN(CC=C)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C 10866532 SJZNXSOYMZWCRT-UHFFFAOYSA-N 417.581 4.016 30 40 HIEB C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1C1CC1 12803054 BOAAQDJCUNIBJL-AWEZNQCLSA-N 400.573 4.351 30 40 HIEB CC(=O)Nc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 13690689 VOEDCYLEIPTHJE-UHFFFAOYSA-N 424.913 4.139 30 40 HIEB COc1cc(OC)c([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1OC 18197466 ROVMGTZINLJFBA-QFIPXVFZSA-N 409.438 4.006 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cc(C)ccc21 32103290 UQLHAEIPMNFPPN-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB CN1/C(=C\C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)c2ccccc21 32910004 VTNSWHYSCHZPID-AROKFOENSA-N 406.438 4.032 30 40 HIEB CN(C)c1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1Br 34721457 IOFRGOKKKSHRSN-OQVNYJMYSA-N 408.346 4.389 30 40 HIEB CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Br 59418040 FEVFOZCDRVLCRW-LFIBNONCSA-N 402.317 4.407 30 40 HIEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102880491 RRPFNDADZWPQMQ-NHFXJNLRSA-N 421.884 4.049 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 220573001 SBEMJEGWYCLUAI-OAQYLSRUSA-N 416.543 4.052 30 40 HIEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NC[C@@H]1CCCO1 408802242 YQCDEOBOINNROB-AXKQXYKKSA-N 406.404 4.130 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3232921 ALDXMAASZZEWCS-LDADJPATSA-N 406.438 4.481 30 40 HIEB Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cccc1[N+](=O)[O-] 3341871 BQHMGMYWNMTGFH-UHFFFAOYSA-N 411.468 4.171 30 40 HIEB C=CCOc1ccc(Br)cc1/C=C1\NC(=S)N(C2CCCCC2)C1=O 3662919 ZDHGVXPPBFJWEL-VBKFSLOCSA-N 421.360 4.404 30 40 HIEB Cc1ccc(Nc2nc(N/N=C/c3ccccc3F)nc(-n3nc(C)cc3C)n2)cc1 4619128 LSDYKGYSQJPUNH-ZMOGYAJESA-N 416.464 4.311 30 40 HIEB CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 6783462 OLLAJVGPNJFVBV-OAQYLSRUSA-N 418.449 4.242 30 40 HIEB CN1C(=O)[C@@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1cccc(C(F)(F)F)c1 8091963 GMJZEWGOAAPUSV-PJWCADQQSA-N 408.401 4.238 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2sccc2c1=O 12820727 ALVXEWKDYZKLKK-ZIAGYGMSSA-N 411.552 4.102 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 20503200 VPMJMDJLLSSUCP-DEOSSOPVSA-N 419.525 4.058 30 40 HIEB Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 32865353 XGTAFTGAWYKTRL-AWEZNQCLSA-N 421.507 4.167 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100973842 SEHXXVQOCORGOJ-WGGXDPCSSA-N 424.956 4.249 30 40 HIEB O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccccc2)N1C1CCCCC1 100975048 LMGWRIAVKQZSPQ-XKXPVHLMSA-N 414.552 4.381 30 40 HIEB C=CCN(c1ccc(C(=O)NCCCc2ccco2)cc1)S(=O)(=O)c1ccccc1 224378962 WLHQYBHHJIVGND-UHFFFAOYSA-N 424.522 4.024 30 40 HIEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccc(Cl)cc1Cl 408535765 ORGFSJJYFQWUBT-LBPRGKRZSA-N 410.644 4.248 30 40 HIEB CCN(CC)CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2ncc(C#N)s2)n1 585294634 SQOUFXMLDABLAK-LJQANCHMSA-N 412.607 4.658 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2)c1 702443 QSSHWUMBRYWKID-SFHVURJKSA-N 405.479 4.246 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCC3 784798 HHRZMLJHNOYEMD-UHFFFAOYSA-N 411.552 4.172 30 40 HIEB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)cc1 1223603 DRCSIHNXRKJGHU-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC 3667745 HFFFCWRFPPYIEW-WJDWOHSUSA-N 406.935 4.304 30 40 HIEB CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H](C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N 4454738 NXJSLFYEHFFSJO-GYVBGXKYSA-N 423.557 4.453 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1Cl 4778912 RTSIDLJTLKWNPM-FPYGCLRLSA-N 408.763 4.426 30 40 HIEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 12418548 IKMJUXAEMLLFAO-MDZDMXLPSA-N 418.884 4.332 30 40 HIEB Cc1cc(OCc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)ccc1Cl 27742912 UQZYUJCJNHQAPD-UHFFFAOYSA-N 408.889 4.414 30 40 HIEB C=CCOc1cccc2c1cc(C(=O)NCCN1CCCCC1)n2Cc1ccccc1 35908457 WXHMNCWUPGGYBI-UHFFFAOYSA-N 417.553 4.470 30 40 HIEB Cc1c(/N=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 100164753 IVMOECSBMNBSTQ-LFVJCYFKSA-N 419.485 4.134 30 40 HIEB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1 100184436 UJRUAKRIYLZNPE-QAYQYMSWSA-N 415.490 4.205 30 40 HIEB COc1ccc(/C=C2\S/C(=N/c3ccc(Br)cc3)N(C)C2=O)cc1O 100291140 UGKXGFRKLLENGN-NIQTYAIASA-N 419.300 4.397 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@H]23)C1 100744288 NBZXMBPRBWXSSQ-KORAKKSESA-N 401.591 4.414 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C2/CC[C@]3(O)C[C@]2(C)CC[C@@H]2[C@@H]3CC2(C)C)cc1 104199064 BSQVUDMFVHHRDL-FJPMBZRGSA-N 404.576 4.007 30 40 HIEB C=CCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1 2055795710 IRRGRJJGVBHPNA-UHFFFAOYSA-N 422.500 4.045 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)c(OC)c1 726474 MENSXWIBVPEJIZ-OAQYLSRUSA-N 413.514 4.261 30 40 HIEB CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1nnnn1-c1ccc(C)cc1 1808091 FHJCEVTURHGOHG-HEHNFIMWSA-N 400.895 4.039 30 40 HIEB COc1cc(/C=N/NC(=S)NCCc2ccccc2)ccc1OCc1ccccc1 3264987 WDSHRXJZKPWAGX-YZSQISJMSA-N 419.550 4.315 30 40 HIEB CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 5429156 HFVWKGIHYSVSGS-VZMFNRANSA-N 410.499 4.102 30 40 HIEB C=CCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc12 5516119 MINTWDRBLXPRRM-UHFFFAOYSA-N 415.467 4.318 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2Cl)cc1OC 6198688 UIZXYNLSPRLXHB-QGZVFWFLSA-N 422.264 4.219 30 40 HIEB C=CCn1c(C)cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c1C 8272587 KIMQAORHYUHKAX-UHFFFAOYSA-N 402.494 4.483 30 40 HIEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1cccc(F)c1 9094816 LQQJENYYRIZOIH-QFEZKATASA-N 408.429 4.403 30 40 HIEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 9243341 XSFLCXHKGRARPM-ORAYPTAESA-N 418.474 4.249 30 40 HIEB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 24714571 CBGNEWBYBMOTJR-UHFFFAOYSA-N 404.901 4.026 30 40 HIEB C=CCn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 408810793 KMFTUMKDWJMPQM-XSFVSMFZSA-N 415.518 4.275 30 40 HIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408861987 WCWUMACWMXODCJ-SXGWCWSVSA-N 419.300 4.363 30 40 HIEB C=C[C@H](C)N1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O 408949285 ALXBTOUCGZTGAD-OHGWLYEESA-N 407.083 4.415 30 40 HIEB CCCCOC(=O)c1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc1 409332925 SVHLGFIFBHCAGG-JAIQZWGSSA-N 402.497 4.098 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(OC)c1 1354258 PUBAZXFEXZBASH-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCc1ccc(NC2=C(OC)C(=O)C(Nc3ccc(CC)cc3)=C(OC)C2=O)cc1 1680323 NYBLXPULYGKGEQ-UHFFFAOYSA-N 406.482 4.203 30 40 HIEB N#CCCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 2627862 ZRJKMRNZKYVRDQ-UHFFFAOYSA-N 403.511 4.184 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1 4285409 FLAWLHKLLMCGSO-UHFFFAOYSA-N 409.471 4.079 30 40 HIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)S2)cc1 4516835 IFRJTLKJMLMLCQ-YBFXNURJSA-N 405.479 4.180 30 40 HIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 5051276 WFNHNYCJEHMOFY-HJOGWXRNSA-N 422.481 4.302 30 40 HIEB CCCCNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N 12421310 WQXYIQMJGSAGGV-UHFFFAOYSA-N 424.526 4.246 30 40 HIEB Cc1cccc(NC(=O)/C(=N\Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 16745587 CWJFTXIICRHNOG-QYQHSDTDSA-N 415.449 4.056 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)cc1OC 20663593 DTRFCBACBIMUGG-HMAPJEAMSA-N 409.482 4.402 30 40 HIEB C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc(Nc2ccc(C)cc2)c1=O 28538812 MGLFGRZHPLKDJZ-UHFFFAOYSA-N 424.526 4.186 30 40 HIEB Cc1[nH]c(=O)nc(N/N=C\c2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 31820420 NWOXODRDGLSXDB-YVNNLAQVSA-N 416.268 4.083 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 102805008 WTLLHFZYLIIGMO-MOBKVPTQSA-N 414.461 4.102 30 40 HIEB C=CCOC(=O)c1ccc2[nH]c(-c3ccc(I)cc3)nc2c1 226235630 BAIDCOIQNMPVNG-UHFFFAOYSA-N 404.207 4.177 30 40 HIEB Cc1ccc(Cl)cc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740071 CUUNDZSRNOHXJH-SCDDIDHTSA-N 406.294 4.068 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409327119 QCJOVGHVWDRTBG-GFCCVEGCSA-N 400.276 4.260 30 40 HIEB COc1ccc(C(=O)c2oc3ccc(N/C=C4\C(=O)C=C(C)OC4=O)cc3c2C)cc1 1547200780 FNIJOIZKUKTEDM-XDHOZWIPSA-N 417.417 4.306 30 40 HIEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1cccc(Cl)c1 2271668 NJFYISZKNWZJOA-ODCIPOBUSA-N 401.651 4.176 30 40 HIEB COc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 2707713 LBVFOBJNIXUXEB-UHFFFAOYSA-N 402.479 4.407 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OC)cc1 4919734 UDDBGFGIXKNNJO-CVDCTZTESA-N 410.466 4.032 30 40 HIEB C=CCn1c(=O)c(CCC(=O)Nc2cccc(C)c2)nc2cc(C(F)(F)F)ccc21 6662797 KVKIAGDSTHVFLY-UHFFFAOYSA-N 415.415 4.481 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCC)cc1 16737281 JCJJQRCXQWDMSX-OAQYLSRUSA-N 407.466 4.248 30 40 HIEB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C#N 17088387 SRZPVXLYQZAOJW-UHFFFAOYSA-N 410.065 4.344 30 40 HIEB C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(F)cc(F)c21 100877787 UHEXVDRLAWFXFR-FXBPSFAMSA-N 407.239 4.118 30 40 HIEB C[C@H]1C(=O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)(C)OCCO)[C@]21C 118935156 XGGZBVJMRNOSLF-NOZXUFDXSA-N 402.575 4.347 30 40 HIEB Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(OCC(C)C)c(Br)c1 408602383 NCNNPHXTLOEPLI-JJFYIABZSA-N 414.303 4.384 30 40 HIEB CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1O 408964899 IKFYPYBHZMVIBM-MHWRWJLKSA-N 404.875 4.345 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2)c1 702444 QSSHWUMBRYWKID-GOSISDBHSA-N 405.479 4.246 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC 4919310 VIDAJWHJCDKWMS-NFBKMPQASA-N 410.466 4.032 30 40 HIEB CC(C)c1ccc2c(c1)/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)C(=O)N2 6459509 MGVKZQIRSORTPH-UHFFFAOYSA-N 406.433 4.472 30 40 HIEB CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 6783976 YGDUUESRRUBUGH-OAQYLSRUSA-N 419.433 4.162 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C(C)C)C1 19235446 YNLBYAAWLOFCJY-AREMUKBSSA-N 404.554 4.381 30 40 HIEB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132728 JMGHUWGHODGRLD-KBVGCWLLSA-N 410.465 4.195 30 40 HIEB CSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 22608384 HWNNVSFVJOJAPH-BJOHPYRUSA-N 405.321 4.031 30 40 HIEB O=C(C[n+]1nc(CNc2ccc(Cl)cc2)n2c1CCCCC2)c1ccc(F)cc1 27027521 VRMAPJXPKBMYCZ-UHFFFAOYSA-N 413.904 4.185 30 40 HIEB Cc1ccc([C@@H](CNc2oc(-c3ccccc3F)nc2C#N)N2CCOCC2)cc1 27793539 VIWSCIVFTARIBD-OAQYLSRUSA-N 406.461 4.146 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1OC 97105079 PHSGAVAEYCAKBB-AUSIDOKSSA-N 410.466 4.032 30 40 HIEB C/C(=N\c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(O)c2ccccc2n(C)c1=O 100362586 RTRMUIZOGNKZRF-MZJWZYIUSA-N 422.440 4.160 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1cccs1 102879507 SVVYSENEWXKLCE-GFNKQVDRSA-N 403.887 4.002 30 40 HIEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223364733 FVCPHXCXQGMJIY-VWLOTQADSA-N 414.505 4.138 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409326045 FZCWROGRMUCBEJ-GFCCVEGCSA-N 400.276 4.260 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 5070429 QVOZQMATSNGIQJ-MJHJUBQXSA-N 411.527 4.338 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 6691030 OHKWUMRDWBXIFC-WMLDXEAASA-N 403.887 4.159 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O 6856106 HWDFSUDIWZEONP-LICLKQGHSA-N 413.476 4.061 30 40 HIEB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1 8125982 ZKFNOCAQXPGMMD-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 13424169 UQUFJDYZUMDJJW-SDHOMARFSA-N 423.509 4.103 30 40 HIEB CC[C@@H](O/N=C/c1ccc(OCc2ccccc2)c(OC)c1)C(=O)Nc1cc(C)on1 16337942 FEZRQOAXYWRIAN-ANRKENSESA-N 423.469 4.338 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)o1 19973785 WRASDVUSARJZQA-NRFANRHFSA-N 410.514 4.207 30 40 HIEB C=CCn1c(SCC[S@](=O)c2ccccc2)nc2ccc(Cl)cc2c1=O 32934986 AELURVRWKRFIER-AREMUKBSSA-N 404.944 4.136 30 40 HIEB C[C@H]1CCO[P@@](=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 36372542 FQVNDEYXCYMBGZ-RZPDLZAOSA-N 423.638 4.107 30 40 HIEB O=C(/C=C/c1ccc2c(c1)OCO2)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100455000 AUHDFYFWNGBTSB-ZRDIBKRKSA-N 411.413 4.321 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 102803613 QRUYNOVNMZSYRZ-GHNGSUTGSA-N 406.419 4.417 30 40 HIEB O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1ccc(F)cc1 408751782 BNMPROBEGVNHEZ-NTEUORMPSA-N 424.238 4.322 30 40 HIEB CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 409120549 WMJBFMLXTHLEQI-QRVIBDJDSA-N 408.439 4.463 30 40 HIEB N#Cc1ccc(Nc2nc([C@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)cs2)cn1 585295125 MNMRMRQWNDKHFH-SFHVURJKSA-N 414.538 5.014 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@@H]1C(=O)/C=C(\C)CC[C@@H]1C=C(C)C(=O)O1 1772591067 DLNKPVUPXOYXQF-WCQHNTFISA-N 416.558 4.348 30 40 HIEB COc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCC2 663990 WBINCXVGNXFSTA-UHFFFAOYSA-N 407.417 4.200 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CCCCC1 3308115 BRHGXAMSNOAIGS-UHFFFAOYSA-N 414.531 4.014 30 40 HIEB N#CC[C@@H](CNC(=O)c1ccccc1Cl)OC(=O)c1cccc(C(F)(F)F)c1 5679031 GOAHWRCCWLAPBP-AWEZNQCLSA-N 410.779 4.228 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3CC[C@H]2C)n(Cc2ccco2)c1C 7360430 OOIMKMZDOVBFFV-MRXNPFEDSA-N 402.498 4.398 30 40 HIEB O=C1ON=C(c2cccc(I)c2)/C1=C/C=C/c1ccccc1 12375764 KEGIGXUNUYKFLF-MAHQCVNESA-N 401.203 4.192 30 40 HIEB N#CCCn1cc(C(=O)COC(=O)CSCc2ccc(F)cc2)c2ccccc21 12522987 UEIXIINSGDIZLL-UHFFFAOYSA-N 410.470 4.353 30 40 HIEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2CC)cc1OC 14000868 BUBMAMIPBIFLDW-SFHVURJKSA-N 403.482 4.482 30 40 HIEB CCCCOc1ccc2ccccc2c1/C=N/Nc1ncc(F)c(N2CCOCC2)n1 15224567 QOLVUTJAILOCSZ-CVKSISIWSA-N 423.492 4.230 30 40 HIEB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)c1 19905036 OULIQQKPNPYBDP-HSZRJFAPSA-N 418.493 4.310 30 40 HIEB O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC(F)F)cc1 20028593 KBJHGKQYXGYZKQ-MDZDMXLPSA-N 406.860 4.456 30 40 HIEB CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 58230843 BKFCVMQBQBLGBP-ZRDIBKRKSA-N 412.423 4.122 30 40 HIEB COc1cccc2cc([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc12 97105897 ZTFRILHDUUWEEH-IBGZPJMESA-N 404.857 4.466 30 40 HIEB COc1ccc(/C(=N/O)[C@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1 103011566 FBWAFBVOCIGTGV-MXYLMPPISA-N 403.434 4.369 30 40 HIEB O=C1/C(=N\Nc2nc3ccccc3s2)c2cc(Cl)ccc2N1C1CSC1 223740409 TYDVSQNDDITPPB-PGMHBOJBSA-N 400.916 4.228 30 40 HIEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408761023 GOTAECPJHDOWQI-UWPAOYMWSA-N 406.294 4.068 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(Cl)c1 655820 JMAQIXQRKYAVBR-IBGZPJMESA-N 409.869 4.480 30 40 HIEB COc1cc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC 2653847 LRKINQHTXYKDPW-UHFFFAOYSA-N 400.500 4.096 30 40 HIEB COc1ccc(/C(C)=N\OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 4204832 OFWRUJDHOWVTBL-MXAYSNPKSA-N 407.499 4.167 30 40 HIEB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238225 MRFRIGFVLBZRCS-UHFFFAOYSA-N 418.522 4.164 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)o3)cc21 8959585 RJPOTJFNOWLRPV-UHFFFAOYSA-N 419.275 4.232 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 9244725 HAXBZYPDPNNMMR-MRXNPFEDSA-N 417.446 4.293 30 40 HIEB C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 9440195 QZOHBUVSKNETHK-ZDUSSCGKSA-N 423.266 4.028 30 40 HIEB COc1ccccc1/C=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1OC 59435456 FYTRUEUFXAFZNM-IPACTHBOSA-N 415.493 4.081 30 40 HIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2C(=O)O1 98054213 QBRFVYDTBNHONH-PZLKWIMZSA-N 407.417 4.149 30 40 HIEB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C#N)c(C#N)nc12 100198445 NUGUWRRJZDEYDF-ZUOKHONESA-N 411.387 4.032 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 102798421 FCEVACAWYJIEGD-HVESIFNPSA-N 406.265 4.062 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1C 103786147 GUIYNSUCQRIVOU-NKWDDMGQSA-N 424.482 4.050 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218522127 CBVJHZWEWQVOQD-QHAWAJNXSA-N 403.931 4.389 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224817893 ADIHVTAKHVKYLF-UHFFFAOYSA-N 417.527 4.407 30 40 HIEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc(O)cc3O)S2)cc(C)c1Br 408753419 ISZAAGYALZJSQA-CHHVJCJISA-N 419.300 4.369 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 4084361 ARYDPXCLLLRKHT-HROMDODWSA-N 423.597 4.370 30 40 HIEB biogenic Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O 4616639 HYGFSDTUAZECMX-AEKNLGIRSA-N 410.524 4.195 30 40 HIEB COc1cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)ccc1OCC#N 7349763 ZPUMNXLUFSABGY-FOKLQQMPSA-N 413.890 4.017 30 40 HIEB Cc1cc(SCC(=O)Nc2ccc3c(c2)OCO3)n2c(nc3ccccc32)c1C#N 9507411 VAMAFZLVBJYHFX-UHFFFAOYSA-N 416.462 4.127 30 40 HIEB Cc1csc([C@H](C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 12877813 FNGLTDPEZSMDCD-GFCCVEGCSA-N 404.567 4.397 30 40 HIEB C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 13945468 RVBVLZRWHYTUED-UHFFFAOYSA-N 408.527 4.003 30 40 HIEB COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 17088982 AAINSZVKCJKEOU-PPOCWRSBSA-N 411.552 4.280 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(OC)cc3OC)nc2c1 35290832 WITWECYRKBBYPZ-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)cc4)CC3)nc2cc1C 35313845 ZMEGKCLJTXNHGW-UHFFFAOYSA-N 402.473 4.215 30 40 HIEB Cc1ccc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)cc1Cl 77191659 OIMQSPQWOCGWRV-UHFFFAOYSA-N 411.933 4.387 30 40 HIEB CCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 84791122 OAFVVSHJBDXVAO-UHFFFAOYSA-N 420.542 4.425 30 40 HIEB CC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 89292163 OVNFLRNMCHIYGD-OCCSQVGLSA-N 413.829 4.270 30 40 HIEB O=C(/C=N/Nc1ccccc1)c1ccc(C(=O)/C=N\Nc2ccccc2)c([N+](=O)[O-])c1 100368993 ONPCEZRHCSYLMB-KZSQTELISA-N 415.409 4.156 30 40 HIEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 408861511 COFGTDYJDRYFBP-HYARGMPZSA-N 406.467 4.494 30 40 HIEB CCn1cc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(N)=O)n1 2732491 QFIMQTWRRSYDMG-OPEKNORGSA-N 405.889 4.409 30 40 HIEB C=C(C)Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)COC(C)(C)C3 8991723 PSNWNFKYJYAKNE-UHFFFAOYSA-N 406.511 4.200 30 40 HIEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COc2ccccc2OC)cc1 9061063 YOTIZOKJYKIDTL-UHFFFAOYSA-N 405.454 4.001 30 40 HIEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 13776092 FGRZWDHVRJPFAH-JMIUGGIZSA-N 412.438 4.280 30 40 HIEB biogenic O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccco2)cc1 22476649 ZXDSFFRFEOWWME-UHFFFAOYSA-N 412.367 4.332 30 40 HIEB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3SCCC#N)cnc12 95953540 GUEGUPOWKISDCD-UHFFFAOYSA-N 406.511 4.130 30 40 HIEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 100628236 UZXDHVPZIYSCSZ-MLVIZHJXSA-N 410.524 4.195 30 40 HIEB COc1cc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 102802735 DDZHBSPLAIIGSD-HOGKFDNTSA-N 415.445 4.336 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)S2)cc1 408955991 ZKEHRYCPIRLKDY-ZHZULCJRSA-N 405.479 4.386 30 40 HIEB COc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)c(OC)c1C 409139667 CRHNJERLFFGJLE-YBEGLDIGSA-N 416.886 4.066 30 40 HIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OC 409295662 RFPSAEPCBHZVNO-UHFFFAOYSA-N 421.497 4.352 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)s1 2501854 ZCGXZYCPFPUJEQ-INIZCTEOSA-N 411.870 4.283 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 2623924 RSLCPOVDGFBXBV-UHFFFAOYSA-N 415.478 4.189 30 40 HIEB Cc1cc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)nc2ccccc12 4297470 YMGBDGFQBHGTNB-UHFFFAOYSA-N 419.506 4.125 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 5988406 SUVUKSVMLGSVJN-OAQYLSRUSA-N 409.482 4.007 30 40 HIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6720086 KAMILXCMBMDGQG-IFMALSPDSA-N 421.493 4.015 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 12601172 DZSOPJYTEGKFJI-DEDYPNTBSA-N 424.910 4.115 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c(OC)c1 20646869 PKZLXOYFQNAHNY-XKZIYDEJSA-N 409.482 4.402 30 40 HIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 22608724 DXTHQXRFWZGLBM-UZUQRXQVSA-N 417.513 4.441 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 33733389 BTXZGJYOIJGIRO-KRWDZBQOSA-N 420.538 4.239 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/Nc3nc4ccccc4[nH]3)cc2)cc1 59417091 OREPUFXMHNUIGF-HYARGMPZSA-N 406.467 4.085 30 40 HIEB C#CCN1CCC(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)CC1 83812570 IUXCLERCKIRMFV-UHFFFAOYSA-N 402.420 4.128 30 40 HIEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1 408749121 DPSYQSATLGCUAW-FBHDLOMBSA-N 400.778 4.136 30 40 HIEB C#CCOc1c(Br)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OCC 409022174 HPRSQDLWCIFRFJ-XNTDXEJSSA-N 424.316 4.305 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C)c1C 409324262 STFHLCOKIWIECU-UHFFFAOYSA-N 415.335 4.339 30 40 HIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1I 5124758 CSQMMKGNQWLWID-GXDHUFHOSA-N 406.248 4.183 30 40 HIEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2cccc([N+](=O)[O-])c2)cc1 5788764 YNOYXNULVIMENY-OEAKJJBVSA-N 405.410 4.406 30 40 HIEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(C)c4)nn32)c1 6732448 CBEVUAINNMQHNB-QFIPXVFZSA-N 416.481 4.293 30 40 HIEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 12418546 KOGPJACZFMXAKR-ZHACJKMWSA-N 418.884 4.332 30 40 HIEB COc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(OC)c1 12814647 SGEASTILRDGIAM-UHFFFAOYSA-N 424.545 4.179 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 17179728 HBJIOGGAUVLXLQ-HXUWFJFHSA-N 407.397 4.206 30 40 HIEB COc1ccc(Nc2nc(NC[C@H]3CCCO3)c3c(c2C#N)CC(C)(C)OC3)cc1 20590668 AIPLUZYSZXIDGI-QGZVFWFLSA-N 408.502 4.148 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 39555552 WLPSPEKXUFFYHK-UHFFFAOYSA-N 406.511 4.354 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1 102495211 KMQSODATMKZSDM-MRJHHRETSA-N 402.425 4.151 30 40 HIEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccc(Cl)cc1 225870987 BJNUGMSLLYFDBR-UHFFFAOYSA-N 409.896 4.109 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccccc1Cl)[C@H]1C=C[C@H]2CC1 409141954 OXFRJYUJQNRDTG-TVYZJLBMSA-N 420.896 4.450 30 40 HIEB O=c1cn[nH]c(=S)n1/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 936716 QGDMTMRGHNYFGQ-ODCIPOBUSA-N 407.282 4.069 30 40 HIEB C=CCn1c(=O)c(CCC(=O)Nc2ccc(C)cc2)nc2cc(C(F)(F)F)ccc21 6719994 IJMGLECZESISJQ-UHFFFAOYSA-N 415.415 4.481 30 40 HIEB O=C(O)CCCC/C(=N\Nc1ccc(I)cc1)c1ccccn1 8994389 LGQROMBFUFPFPF-LTGZKZEYSA-N 423.254 4.147 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)n1ncnc1N2 13555337 AVYGLLBBZFRGMF-HXUWFJFHSA-N 421.388 4.140 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c1 13689495 YOQXLPATSXEMDH-JJFYIABZSA-N 419.433 4.265 30 40 HIEB CCCC(=O)[C@@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccs1 20027086 SDBVXRYSOMHOFK-DYESRHJHSA-N 417.552 4.245 30 40 HIEB COc1cccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c1 20059081 PLSTVYFMDHSYJD-QKFKETGDSA-N 417.509 4.251 30 40 HIEB C=CCn1c(C)cc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1C 21377149 YGFCXVKKBRIEPV-UHFFFAOYSA-N 401.557 4.191 30 40 HIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 22608727 DXTHQXRFWZGLBM-HXOBKFHXSA-N 417.513 4.441 30 40 HIEB O=[N+]([O-])c1cccc(/C=N\Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c1 31829096 IZRPEDICUKHOLW-OYKKKHCWSA-N 423.436 4.382 30 40 HIEB CC(C)c1ccc(NC(=O)NCCNc2nc3cc4c(cc3cc2C#N)OCO4)cc1 35292168 KOGBNOQXUAEQHI-UHFFFAOYSA-N 417.469 4.192 30 40 HIEB O=C(c1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243100 QJRJXRJCWPGYIX-UHFFFAOYSA-N 409.248 4.174 30 40 HIEB CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 4078698 PSWOKSSMQXXIIQ-JJIBRWJFSA-N 405.523 4.255 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 5800683 QFJAGEJDWAYSPY-GOSISDBHSA-N 405.841 4.221 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 6582995 KUIYVZDFNNSHHE-CYBMUJFWSA-N 400.525 4.273 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)sc2c1CCC2 7910329 XSOFWCOLJHGXMU-INIZCTEOSA-N 408.552 4.494 30 40 HIEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cc2ccc(OC)c(OC)c2)cc1 9060961 GHUOENACFYBVNO-UHFFFAOYSA-N 419.481 4.173 30 40 HIEB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1 9328126 TXMLIMZSRAQGDH-OAHLLOKOSA-N 406.511 4.364 30 40 HIEB CSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 9496028 YNMKBMPODDOINV-OAHLLOKOSA-N 419.348 4.421 30 40 HIEB N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 9752516 FPXLKMMHNSDJPG-UHFFFAOYSA-N 404.392 4.198 30 40 HIEB CCOc1ccccc1-c1nc(CC(=O)OCCOc2ccc(C#N)cc2)cs1 9899498 MMEDDMMSYZWKLL-UHFFFAOYSA-N 408.479 4.245 30 40 HIEB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NC1(C#N)CCCCC1 13017713 LQJFDVPFFAYMKK-LBPRGKRZSA-N 405.524 4.244 30 40 HIEB COc1c2c(cc3c1[C@@H](C#CCSc1nc4ccccc4s1)N(C)CC3)OCO2 20411843 AFLVWZIUIJSHJS-MRXNPFEDSA-N 424.547 4.358 30 40 HIEB biogenic CCNC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N\c2ccccc2)S1 100129573 VXRJIQGVQNVKHR-JQBIEYAESA-N 415.946 4.040 30 40 HIEB CCCCn1/c(=N\C(=O)c2cccc(C)c2)c(C#N)cc2c(=O)n3cccc(C)c3cc21 101078974 AJRMZTSSJYFKTP-COOPMVRXSA-N 424.504 4.284 30 40 HIEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 225961157 LWEBJKPOGUYFDJ-QFIPXVFZSA-N 411.889 4.005 30 40 HIEB Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1I 408931448 LSMANHHRBZBRAL-UWVJOHFNSA-N 406.145 4.462 30 40 HIEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 408939394 MJBRVOINIUYXDK-GRSHGNNSSA-N 406.782 4.176 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2C)SC1=Nc1ccccc1 409066887 MXPSCZVFJCUJJG-NXZXOXKRSA-N 407.539 4.456 30 40 HIEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 409104067 IKSKMQMFCGMJFN-OQLLNIDSSA-N 412.305 4.469 30 40 HIEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2c(Cl)cccc2Cl)C2=C1CCCC2=O 409209941 IONNEYKRJHTNMI-UHFFFAOYSA-N 420.292 4.491 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sc(C)c(C)c2c1=O 784820 NCFCEDZOWOHZKK-UHFFFAOYSA-N 403.504 4.131 30 40 HIEB O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1ccc(F)cc1 2252415 UEUMMIGASYBCBA-ZPOBTFBFSA-N 406.280 4.054 30 40 HIEB CCn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccs1 2627051 NIWOPNZRNOVYNU-UHFFFAOYSA-N 415.519 4.205 30 40 HIEB N#CCOc1ccccc1/C=C1/S/C(=N\c2ccc(Br)cc2)NC1=O 2773343 CWOMRBWPPGEFJD-LFIBNONCSA-N 414.284 4.243 30 40 HIEB C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2sc(C)c(C)c2c1=O 3319275 KFEGLXFZHOCNPL-STQMWFEESA-N 405.589 4.142 30 40 HIEB N#Cc1ccc(COC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 5861947 WTTIURJKGSPFBQ-JOCHJYFZSA-N 415.449 4.193 30 40 HIEB COc1cc(/C=N/c2ccc3c(c2)nc(CO)n3C)ccc1OCc1ccccc1 6161109 QTWVOWYXUABRIA-AFUMVMLFSA-N 401.466 4.404 30 40 HIEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(=O)O)c3)NC2=O)cc1C 6189102 YUMLSMDDPYKHFR-PXNMLYILSA-N 402.859 4.247 30 40 HIEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC(=O)OC(C)C)ccc3C1=O)cn2C 9422121 IULWZIPXBFHABD-LSFURLLWSA-N 421.449 4.134 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nccn1-c1cc(C)ccc1C 21649418 AZEGXVXDTVXRGO-UHFFFAOYSA-N 412.540 4.474 30 40 HIEB C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccoc1C 23883360 MCZMKKDRQBQUMQ-UHFFFAOYSA-N 413.890 4.215 30 40 HIEB C#CCOC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 73635127 IJXRCFKICIBQMP-UHFFFAOYSA-N 419.243 4.358 30 40 HIEB COc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1OC 79352356 PJZUIKGVEKVCRE-OAQYLSRUSA-N 402.450 4.277 30 40 HIEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102880490 RRPFNDADZWPQMQ-YDJIHCHBSA-N 421.884 4.049 30 40 HIEB O=C(COc1ccccc1/C=N/OCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 408587692 ADAGBPDHYUBXDS-ZMOGYAJESA-N 423.400 4.302 30 40 HIEB CC(C)COc1ccc(/C=N\n2cnc3ccccc3c2=O)cc1Br 408605168 XDTXHMGNLJLAHR-YVNNLAQVSA-N 400.276 4.076 30 40 HIEB Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccc(Br)cc1 2349743 CBXQEZKOEJKEHH-GSTIJIFKSA-N 402.317 4.223 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 3390030 FSFZOWNVWYAJKE-UHFFFAOYSA-N 417.538 4.492 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4)nc3c2[C@@H]1c1ccco1 5350435 BUDLDPLRBDYGCH-QGZVFWFLSA-N 406.829 4.425 30 40 HIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(F)cc3)CC1=O)N2 5390580 WQKLYXWMBMBGKK-YEJXKQKISA-N 410.399 4.420 30 40 HIEB O=C(/C(=N\Nc1cccc(O)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 5774718 XIHCDHTYYIBWCS-BSYVCWPDSA-N 414.870 4.128 30 40 HIEB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3sccc3C#N)cc12 9388119 VSISMNJWCCUBMG-UHFFFAOYSA-N 422.491 4.124 30 40 HIEB C/C(=N\OCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 13527715 DBNMFMMFXBCFAX-OVVQPSECSA-N 416.477 4.104 30 40 HIEB COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1C 57481222 HZNRQHRJHZWKNP-LINNUKDLSA-N 411.527 4.211 30 40 HIEB C=CCNc1ncc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)s1 79110289 PRJFOFJRSMKJKX-UHFFFAOYSA-N 410.474 4.062 30 40 HIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225819722 MTUSQKDLGDRVST-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)O)n2)cc1 4645078 LFDKCBKXTWMOPN-UHFFFAOYSA-N 406.463 4.481 30 40 HIEB CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)C1=O 4679400 IYRDAHIPIKQHHT-VCHYOVAHSA-N 414.889 4.106 30 40 HIEB CCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O 4682472 SPCXOIYFLUBDAL-GOTYSUTNSA-N 415.946 4.040 30 40 HIEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)cc1Br 6032852 QXVIBSRGSSWZKX-GRSHGNNSSA-N 403.305 4.196 30 40 HIEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 6293532 PERCKLPTDSEAQY-UHFFFAOYSA-N 420.966 4.238 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 8715663 OBGANYMUPTWEDK-IIBYNOLFSA-N 407.510 4.252 30 40 HIEB COc1ccc(Br)cc1/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O 9531429 BSLZIZKAFLUNJW-LSCVHKIXSA-N 403.228 4.042 30 40 HIEB biogenic C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22416461 JIABFVRAMJMWJB-DEOSSOPVSA-N 417.415 4.471 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628271 PHOMAYWFINKALA-MLVIZHJXSA-N 410.524 4.277 30 40 HIEB C=CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)s1 225855147 IHMXTMCKWGILEU-AWEZNQCLSA-N 408.980 4.320 30 40 HIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 408878855 CPLHLACUKKRYDX-SXGWCWSVSA-N 419.300 4.363 30 40 HIEB C#CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409075961 ZKBHKIHBMSFFPF-FSJBWODESA-N 407.348 4.470 30 40 HIEB C=CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCC=C 2081051 LSSBWYRWOYYVNH-AQTBWJFISA-N 406.394 4.069 30 40 HIEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 3310932 PVYYLVZBICFPHL-UHFFFAOYSA-N 414.284 4.462 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)c1 5408615 WXHPVVUITAQWMI-OAQYLSRUSA-N 418.449 4.160 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(C)c1 5477887 ZBRGTVHPDIHDCK-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(OC)c1 5500897 WYKDQZCSJWQYLN-UHFFFAOYSA-N 416.453 4.149 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 5847402 RGMVPNVBTGQDMB-NRFANRHFSA-N 416.433 4.018 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccccc1OC 6077248 OARKWPNOFWYLGQ-INIZCTEOSA-N 420.538 4.210 30 40 HIEB Cc1cccc(C(=O)N2CCN(c3oc(-c4ccccc4Cl)nc3C#N)CC2)c1 12418315 XDPNFXUOCAPERU-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB COc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1 13768715 YRNQRKRGILIWHN-UHFFFAOYSA-O 417.316 4.343 30 40 HIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1c(C)cccc1[N+](=O)[O-] 13896609 HTGSGOKMFAJWMG-NKFKGCMQSA-N 420.454 4.217 30 40 HIEB N#C/C(=N\Nc1cccc(Cl)c1)C1=NC(=O)/C(=N/Nc2cccc(Cl)c2)S1 16398878 RVSFGXYGWMYDLN-MNXXMNJASA-N 417.281 4.382 30 40 HIEB CN(CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)C(=O)C(F)(F)F 22067264 AIVUSJIHPDCSPS-HXUWFJFHSA-N 406.379 4.272 30 40 HIEB in-vitro N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc2ccccc2s1)OCO3 35311829 AFWXPPSPEWEVAU-UHFFFAOYSA-N 420.475 4.176 30 40 HIEB Cn1nc(C(F)(F)C(F)(F)C(F)(F)F)nc1C(F)(F)C(F)(F)C(F)(F)F 104062241 VXXUHHUJWSQBSQ-UHFFFAOYSA-N 419.116 4.394 30 40 HIEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932219 BYUTYVBRBRSKBW-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408528575 GPZBIJWGLUPFRO-PDGQHHTCSA-N 412.442 4.066 30 40 HIEB COc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1OC 408931299 JSFFPWIRPOLVMQ-FYJGNVAPSA-N 405.292 4.054 30 40 HIEB COc1ccccc1NC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 409007695 QIMFUVLUBOTUTF-UCQKPKSFSA-N 420.425 4.067 30 40 HIEB O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 4538758 UMUATOUXXLBDFU-FLOXNNGASA-N 417.534 4.425 30 40 HIEB COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c([N+](=O)[O-])cc1OC 5186534 VKJBOLUGGTZEQI-NVMNQCDNSA-N 413.455 4.120 30 40 HIEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)cc1 19820007 QORZKVWFPXIVRD-FQEVSTJZSA-N 418.541 4.448 30 40 HIEB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)c1C 59484504 FXEKEFVHVWPMQC-AYIBLLACSA-N 407.469 4.053 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)no1 102805549 XJVTXRHRGVHJEU-SELCWUDQSA-N 412.804 4.402 30 40 HIEB C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 106922135 CYAUFBFVVKTCCG-GSHUGGBRSA-N 403.592 4.044 30 40 HIEB C=CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccccc1 409346564 NOTFGZKJFNNBGI-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OCC)c1OC(C)(C)C 409402076 CVTWPOVXRMSADB-IDPBPBMLSA-N 422.525 4.132 30 40 HIEB C#CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC 1531382867 QMMRWGBUHBDLJE-OVVQPSECSA-N 423.472 4.356 30 40 HIEB COc1cc([C@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 1466055 JFFDEQPKASGQDI-FQEVSTJZSA-N 413.514 4.347 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCCc3ccccc32)n(Cc2cccs2)c1C 8119069 YWHZMNIUYFYEGN-UHFFFAOYSA-N 404.539 4.478 30 40 HIEB CCCNC(=O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21722523 CPODYEVDAJITGO-DEOSSOPVSA-N 421.497 4.093 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2cccs2)C3=O)cc1 68736430 AEARSJZYKJGODO-XDHOZWIPSA-N 414.460 4.141 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(F)cc1 102649393 SIPMKSJJVYXRTR-NHFXJNLRSA-N 422.843 4.496 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 102884084 LOZRLJCTKHUOPM-HOGKFDNTSA-N 423.509 4.180 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C2\CC[C@]3(O)C[C@]2(C)CC[C@@H]2[C@@H]3CC2(C)C)cc1 102933117 BSQVUDMFVHHRDL-RADADSAHSA-N 404.576 4.007 30 40 HIEB CN(c1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1)C1CCCCC1 2307355 MWZRYWKGWSTYFP-LJQANCHMSA-N 405.546 4.455 30 40 HIEB Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)cc1 5068903 OREHUXPVDUHMKN-DHRITJCHSA-N 410.437 4.203 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 5446476 MNAOKFJCJKUHED-QGZVFWFLSA-N 409.804 4.052 30 40 HIEB CCc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 8023901 MUIWZENQYFQIKF-HSZRJFAPSA-N 418.493 4.266 30 40 HIEB N=C(N)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 33362280 SHCUJEPVVBZGSR-QPSGOUHRSA-N 416.106 4.152 30 40 HIEB C[C@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 84001608 NLPHKDKBNVYGKI-QMMMGPOBSA-N 405.284 4.039 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455988 AYUWBYOVTNSKMM-UUOWRZLLSA-N 403.530 4.073 30 40 HIEB C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S 96663134 LQXMVMCLAWDPPC-OQLLNIDSSA-N 419.528 4.354 30 40 HIEB CC1=C(I)C(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1 100248050 LYAMFMITGWMVFC-RGEXLXHISA-N 409.223 4.074 30 40 HIEB CCOC[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218522039 CBVJHZWEWQVOQD-HKBOAZHASA-N 403.931 4.389 30 40 HIEB COc1ccccc1OCc1nc(SCc2ccc(Cl)cc2)nc(N)c1C#N 223691072 VSSSZGOSLISPNZ-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408751076 WEBYYNXSOGFFKW-AFPJDJCSSA-N 413.821 4.195 30 40 HIEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OC 409021824 AKOBQBBYEVNLKA-OVCLIPMQSA-N 412.305 4.467 30 40 HIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)c1 409125962 GJFKFTCCWDBOIL-MOSHPQCFSA-N 411.502 4.171 30 40 HIEB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCS/C1=N\CCc1ccccc1 3438011 DICAGXKNJZYVMV-VZCXRCSSSA-N 403.891 4.426 30 40 HIEB CCCC/C(=N\NC(=N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 4100079 YDGHTFIWVMXYCA-YJZSVRAESA-N 408.527 4.171 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC 4919308 VIDAJWHJCDKWMS-REWPJTCUSA-N 410.466 4.032 30 40 HIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 5094152 OVHBEHWVZLGXJN-PKOBYXMFSA-N 400.482 4.217 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(OC)cc1 6001954 WDMJWKOKUSRYHF-INIZCTEOSA-N 411.527 4.091 30 40 HIEB COc1cc(/C=C2\Oc3cc(OC(=O)C(C)C)cc(C)c3C2=O)cc(OC)c1OC 6624105 ZKXINNJWQYZLCZ-IUXPMGMMSA-N 412.438 4.198 30 40 HIEB biogenic N#Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 6883142 FWHSUZSULNMWBD-UHFFFAOYSA-N 402.903 4.266 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 8270093 JQFOOCCCYAUPJX-UHFFFAOYSA-N 414.494 4.364 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)sc2c1CCC2 8310440 ZFJHOOGFRYIFOV-SFHVURJKSA-N 423.538 4.045 30 40 HIEB Cc1c(Cc2ccccc2)[nH]c(NC(=O)CSc2nc3ccccc3[nH]2)c1C#N 12372032 XYCHWOHMZIIDOO-UHFFFAOYSA-N 401.495 4.393 30 40 HIEB Cc1c(F)cccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19852336 AKZNEKYXBCCGLK-UHFFFAOYSA-N 423.498 4.314 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NC1CCCC1 20503235 OASXAPUTGSRTKR-XMMPIXPASA-N 405.498 4.319 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@@H]2c1ccccc1 20635491 HJGOWNNCEOUBKF-GOSISDBHSA-N 403.530 4.250 30 40 HIEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 27662201 ZIHOVYXETAEDQE-UHFFFAOYSA-N 400.232 4.316 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)SC1=S 59417914 GSSNCIVAKKGPSW-SFQUDFHCSA-N 412.492 4.278 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)C1 72390546 UGDSIXANHVYUCF-IQOKHDRSSA-N 408.567 4.135 30 40 HIEB CCCCCCCN(C(C)=O)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 100090232 UBNKHBMJVFDTDJ-KRWDZBQOSA-N 414.424 4.036 30 40 HIEB O=C1C=C/C(=C/N[C@H](COCc2ccc(-c3ccccn3)nc2)c2ccccc2)N=C1 208378190 VBSVRKOCXVWGPV-KQQLFIIESA-N 410.477 4.042 30 40 HIEB CCOc1ccc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1OCC 408726042 OHEWWSGNTLBTTP-VULFUBBASA-N 414.461 4.366 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408800510 NGRRMTONQFBVCF-XNTDXEJSSA-N 417.248 4.225 30 40 HIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2194283 YKEVHRHGMOFMMS-UHFFFAOYSA-N 415.884 4.491 30 40 HIEB COc1cccc(/C=N/Nc2cc(C)nc(-c3ccc(Br)cc3)n2)c1O 4713107 XMOGCJSTZGNWAQ-SRZZPIQSSA-N 413.275 4.375 30 40 HIEB N#Cc1ccccc1CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 8394530 UUHQZZLSQHZYFZ-UHFFFAOYSA-N 413.524 4.166 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)cc1OC 9486440 YVHWQOFQLALBJU-JJFYIABZSA-N 419.433 4.265 30 40 HIEB CCc1nc(SCC(=O)Nc2nc(C)cs2)c(C#N)c(C(F)(F)F)c1C 12860807 QHRNSNQZCQYNCH-UHFFFAOYSA-N 400.451 4.339 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716717 DBKIDDKAARPAFT-NRFANRHFSA-N 416.543 4.052 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(O)c1 18207504 KZGHZWPXMAUULO-YCRPNKLZSA-N 409.507 4.378 30 40 HIEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccccc2Cl)c1N 225839524 ZLVIBRHAJGQKCS-UHFFFAOYSA-N 401.695 4.392 30 40 HIEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408737689 VDUMGMVRLWZMBF-DEDYPNTBSA-N 414.373 4.159 30 40 HIEB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccccc1 409016374 HUGWIIADDWFUPY-NXZXOXKRSA-N 419.506 4.433 30 40 HIEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCOCC1 709586 DMDZZUBXKQNFAG-UHFFFAOYSA-N 415.518 4.238 30 40 HIEB C=CCSc1nnc2c(n1)O[C@H](c1ccccn1)N(C(=O)CC)c1ccccc1-2 2463707 ZSPNRRADTKYJMX-HXUWFJFHSA-N 405.483 4.046 30 40 HIEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 3425812 JDDJYHUOVHLSJG-UHFFFAOYSA-N 422.462 4.432 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 4028482 VYLLNFJEMQLLQV-VPQQHZGJSA-N 413.558 4.150 30 40 HIEB biogenic CCCCOc1ccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 4859834 YYPIXZMSBXDHKL-NNLJWKLDSA-N 404.470 4.374 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N 6576945 LAPWMKGSGLMNJI-YSIASYRMSA-N 411.600 4.176 30 40 HIEB aggregator N#Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)cc1 8327295 LNZXIUXFCZBXDB-UHFFFAOYSA-N 413.524 4.166 30 40 HIEB CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 12542647 ODYMRLOZQHZORK-UHFFFAOYSA-N 410.543 4.091 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1 20132812 UGVQDSNSNBCCTG-QFIPXVFZSA-N 422.525 4.005 30 40 HIEB CCCCn1nc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O 32800868 XCNHUVIPJMCXMK-KRWDZBQOSA-N 402.498 4.292 30 40 HIEB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N\Nc2ccccc2)cc1/C=N\Nc1ccccc1 33368263 NOVQSYNGBUBTNR-JZTLMNBPSA-N 404.386 4.395 30 40 HIEB N#C[C@@H](C(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc(O)c2ccc(Cl)cc2n1 47373195 RFIKSZIGLBCVRZ-HNNXBMFYSA-N 412.232 4.294 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@H]12 61999363 XQXNTSRSLXYYTI-CFXNPWLASA-N 408.586 4.431 30 40 HIEB biogenic CCCC/C(=N\NC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 102116393 YDGHTFIWVMXYCA-CBTVAOKPSA-N 408.527 4.171 30 40 HIEB N#C[C@@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2[nH]1 102580077 ZSHAXRLYKMDXPY-CDTGLVORSA-N 406.492 4.110 30 40 HIEB aggregator C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)SC1=S 408818076 MUKIPFGSVUAICQ-UNOMPAQXSA-N 411.552 4.440 30 40 HIEB CCOC(=O)c1cnccc1C[C@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 1648895 OLPGJVHTFSXMJW-SANMLTNESA-N 423.472 4.347 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 6549505 NNJOVTORTFVCCL-UHFFFAOYSA-N 417.538 4.492 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccn2C)n(Cc2ccccc2)c1C 9549162 RQFQGKXLZFYSGI-HSZRJFAPSA-N 415.541 4.139 30 40 HIEB C=CCn1cnnc1Sc1nc(CN2CCC(C)CC2)nc2sc(C)c(C)c12 12916057 GPMADTOISKQJPJ-UHFFFAOYSA-N 414.604 4.469 30 40 HIEB C=CCN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 13557484 OHXLTROFLKHRQF-IBGZPJMESA-N 420.690 4.096 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 17822305 XBKXINSIFPYBIB-OAQYLSRUSA-N 411.498 4.363 30 40 HIEB CC(C)(C)OC(=O)CC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 97758842 BCIPGSZQUDLGSY-INIZCTEOSA-N 409.482 4.215 30 40 HIEB CCCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102700700 GXTXOFZTLRSQPY-JBCNATCCSA-N 418.449 4.398 30 40 HIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954907 LLZIDHKGDWDHEB-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225833738 MOKIOOQCGRFJQO-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB COc1cccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)c1 408574678 BOHPZXLTEHUKQH-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB C=CCOc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408595509 XEVNLTJSLPUBCU-RGVLZGJSSA-N 421.247 4.481 30 40 HIEB CCCc1nc(S/C(=C\c2ccccc2OCc2ccccc2C#N)C(=O)O)n[nH]1 408633265 XJCSDIPFCULCHC-UNOMPAQXSA-N 420.494 4.426 30 40 HIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC 408970357 GRECGQRAMJKQBI-LGMDPLHJSA-N 414.383 4.446 30 40 HIEB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2601660 MDQYZZXBIIQORP-JTQLQIEISA-N 421.910 4.230 30 40 HIEB COc1ccc(-c2nc3c4c(ncn3n2)OC(C)=C(C(C)=O)[C@H]4c2ccccc2)cc1 5350596 YLSPLKWMPHORTD-HXUWFJFHSA-N 412.449 4.187 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5488574 RKPKBCTUDRHDQW-YDJIHCHBSA-N 412.917 4.104 30 40 HIEB C#CCOc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 6295413 XWVNNHRUVFLPIB-LJQANCHMSA-N 415.967 4.366 30 40 HIEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c(F)cccc2F)cc1OC 7734666 LLOVPXZYTBTTLW-KRWDZBQOSA-N 417.452 4.360 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)n1 8075962 UFGLGGZEPQVKNH-LBPRGKRZSA-N 401.542 4.075 30 40 HIEB C=CCn1c(=S)sc2c(=O)n(CCOc3cccc(Br)c3)cnc21 9252719 SUTUGKPIPUAGGI-UHFFFAOYSA-N 424.345 4.016 30 40 HIEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCc1ccccn1 9504835 PDVUHOCAVWZWAL-FQEVSTJZSA-N 418.541 4.052 30 40 HIEB C=CCNc1nc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cs1 10133083 FOKFQOKPMNTXHQ-SFHVURJKSA-N 411.458 4.417 30 40 HIEB COc1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 13370956 MSCRTPOHJCSEKE-QZPXRHMKSA-N 408.310 4.166 30 40 HIEB COc1cc([C@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 13682483 XHIVTOGNOCFBAD-OYHNWAKOSA-N 418.449 4.361 30 40 HIEB C=C(C)Cn1c(=O)n2nc(-c3cccs3)nc2c2c3c(sc21)COC(C)(C)C3 13725786 YHQKTXBZJKHTBL-UHFFFAOYSA-N 412.540 4.262 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C2/Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2)cc1 16309066 QMADYPCIVBSICM-HXUWFJFHSA-N 411.914 4.498 30 40 HIEB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccc(C#N)c1 27921535 HZHWGLOOQHNWEU-UHFFFAOYSA-N 409.287 4.435 30 40 HIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2OC)cc1 40268077 ZVBUMAQVNHLFOE-GOSISDBHSA-N 403.438 4.025 30 40 HIEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408708694 KZEUPWCIQYCISC-UHFFFAOYSA-N 413.518 4.015 30 40 HIEB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c2ccccc12 11373067 SOFSHVNOSNDNRZ-GOSISDBHSA-N 413.477 4.211 30 40 HIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OCc1ccccc1 12347098 LVXQFWIGKUUWOF-HXUWFJFHSA-N 417.465 4.267 30 40 HIEB N#Cc1ccc(CN2CCC[C@H](c3ccn(Cc4ccc(C#N)cc4F)n3)C2)c(F)c1 58004633 XCTOFBXZUPMCBG-NRFANRHFSA-N 417.463 4.333 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 6564494 RJZBPGYCHGBPCB-LJQANCHMSA-N 415.873 4.433 30 40 HIEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)S2)c1C 4704685 UZUUKXYXAHOIPC-RQZCQDPDSA-N 416.886 4.312 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(O)cc1 18195557 JNGQERISJVTOGW-LJQANCHMSA-N 401.466 4.072 30 40 HIEB CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)nc2ccccc21 72313121 HRTQUEJSAXCMLR-HXUWFJFHSA-N 412.490 4.154 30 40 HIEB CC(C)OC(=O)COc1ccc(/C=N\c2ccc(I)cc2)cc1 409187239 NVPSJFNXGZITMM-JAIQZWGSSA-N 423.250 4.372 30 40 HIEB C/N=C1/S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C 408929622 LUFQYEHUWYLJDQ-WKMDNZPYSA-N 420.494 4.438 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Br)c1 408791022 ZYVMHDMYJACPQK-KRWDZBQOSA-N 410.267 4.191 30 40 HIEB Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1C(C)C 409283856 SEUVKKGGVCTJQM-UHFFFAOYSA-N 401.308 4.349 30 40 HIEB Cc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)[nH]1 409289433 MRYQZXBEXCCYBO-UHFFFAOYSA-N 401.308 4.284 30 40 HIEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2ccc(Br)cc2)c1N 225843621 RRPAPDAKNWBPFF-UHFFFAOYSA-N 417.694 4.380 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 4541127 SYIFRDFPEPSQCR-HXUWFJFHSA-N 405.406 4.216 30 40 HIEB C=CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 6602766 LEJTUQBNUBOCPH-UHFFFAOYSA-N 401.271 4.279 30 40 HIEB N#Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 3139215 PDPZUTHOPIQNAK-UHFFFAOYSA-N 409.470 4.307 30 40 HIEB N#Cc1c(NC(=O)CSc2nccn2Cc2ccccc2)sc2c1CCCC2 6654084 HMVGYYSRVMVNHJ-UHFFFAOYSA-N 408.552 4.474 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 6780859 QTTDZEYRRLKHLY-JOCHJYFZSA-N 412.445 4.429 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 7792332 ARLXXABVIOBBKH-JOCHJYFZSA-N 414.889 4.130 30 40 HIEB C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 8041745 CSSIDKAWHAXEOX-UHFFFAOYSA-N 414.527 4.068 30 40 HIEB Cc1nc(N/N=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)sc1C 8306900 GBKQRAKLLXKYGF-RGVLZGJSSA-N 405.476 4.113 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccn2C)n(-c2cccc(F)c2)c1C 9605514 MSNPIGFLENIXOS-JOCHJYFZSA-N 419.504 4.219 30 40 HIEB C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1[C@H]1COc2ccccc2O1 12979060 ZGBQEXBAFIRURG-XJKSGUPXSA-N 413.503 4.165 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 26456753 AHRYQIZAEZKQLU-FPTDNZKUSA-N 405.473 4.382 30 40 HIEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccccc2Cl)CC1 38654305 BGYPDFXAZQQTGF-UHFFFAOYSA-N 404.901 4.293 30 40 HIEB Cc1ccc(-c2cnc(CO/N=C(/N)c3cccc(OCc4cccnc4)c3)o2)cc1 79065225 LTKXSUCWDZFLIG-UHFFFAOYSA-N 414.465 4.461 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)o1 100228629 XNMTUWSDEQIYCH-MXHHAIMISA-N 406.869 4.295 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102401881 QTIJXPOVLWVMBK-LQQVSHDKSA-N 405.494 4.411 30 40 HIEB CCOc1ccc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409302025 CRTLXBGMTFEIQF-UHFFFAOYSA-N 420.694 4.402 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@@H]1C(=O)/C=C(/C)CC[C@@H]1OC(=O)C=C1C 1772591044 CBKCPLQQBQROID-HVOHYHFOSA-N 416.558 4.348 30 40 HIEB O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1-c1ccccc1 2401256 XTFQKINDGNDQDR-DHRITJCHSA-N 422.473 4.227 30 40 HIEB N/C(Cc1ccc(Cl)cc1Cl)=N\OS(=O)(=O)c1ccc2ccccc2c1 5949345 MWYMUXXXDXBRLO-UHFFFAOYSA-N 409.294 4.367 30 40 HIEB CCCCCCCN1C(=O)/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 8432984 CFVQWMIWFMBSSJ-MRCUWXFGSA-N 417.534 4.144 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccc(C)cc2)cc1 8559756 VTGKOOHBFNCECY-FDDCHVKYSA-N 400.482 4.319 30 40 HIEB COc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)c1 9530951 UKWJOKQUPCSZGJ-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(OC)c(O)c(OC)c3)c12 9644039 DBEXYJZJMJUGAE-ZHACJKMWSA-N 417.465 4.402 30 40 HIEB N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2)CC1 12418607 UINLTBDFJKKMOS-DHZHZOJOSA-N 418.884 4.332 30 40 HIEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1OC 12904737 FVQSUSBFNPLCFI-IZZDOVSWSA-N 417.889 4.110 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CCC2)C1 19015717 XNBAMGAUMXVFCL-SANMLTNESA-N 417.553 4.002 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19818153 CDVUGSZHAPPUFJ-QFIPXVFZSA-N 418.449 4.306 30 40 HIEB Cc1c(C#N)c2ccccc2n1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 64987012 PNSBLXGTAGNRGC-VWLOTQADSA-N 417.509 4.496 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCCCC(=O)O)[C@H]2c2ccccc2)cc1 102881224 GQZJVBZOZHFKDA-MRJHHRETSA-N 407.466 4.062 30 40 HIEB COc1ccc(/C(=N\O)[C@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1 104291215 FBWAFBVOCIGTGV-RFZHNHFISA-N 403.434 4.369 30 40 HIEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 113481036 ICLNONFRCTXCRX-OAHLLOKOSA-N 419.293 4.308 30 40 HIEB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771333 NXGYARDRQMQIOK-UHFFFAOYSA-N 423.469 4.188 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 408731875 QIBUIZRQSJOCER-NRFANRHFSA-N 415.474 4.408 30 40 HIEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NC[C@@H]1CCCO1 408802354 ZKSJUUUJWSIFNH-BPNSQTJDSA-N 407.297 4.418 30 40 HIEB C#CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1OCC 409404656 QMMRWGBUHBDLJE-UHFFFAOYSA-N 423.472 4.356 30 40 HIEB CCc1nn(-c2cc(Oc3cccc4ccccc34)nc(SC)n2)c(N)c1C#N 632647 ILGGBFXHVJGTOE-UHFFFAOYSA-N 402.483 4.346 30 40 HIEB Oc1ccc2ccccc2c1/C=N/NC(=S)N/N=C/c1c(O)ccc2ccccc12 1682160 VEMDZVIIABTOEZ-GUJRAXHGSA-N 414.490 4.236 30 40 HIEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccc(SC(F)F)cc2)c1=O 3252004 VQHIDMMGUIWEOM-UHFFFAOYSA-N 416.380 4.100 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12 3254681 ZUSYGPSTWQWGNX-UHFFFAOYSA-N 405.508 4.132 30 40 HIEB aggregator C#CCOc1ccc(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1OC 12344319 HYMRDAUPVPEVMQ-UHFFFAOYSA-N 419.443 4.210 30 40 HIEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 12970105 IRUYSMYHMVMAGR-NYHFZMIOSA-N 415.445 4.382 30 40 HIEB CCOc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20410837 QIOZSWGHSBEEKO-MUPIXQSSSA-N 409.482 4.024 30 40 HIEB biogenic COc1cc(/C=C2/CN(Cc3ccccc3)C(=O)C2=O)ccc1OCc1ccccc1 96035413 AKDSFEAFPCPYDA-HMAPJEAMSA-N 413.473 4.269 30 40 HIEB C/N=C1/S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1C 408928392 ASDWYBARVSINBR-YSZNWWIGSA-N 422.260 4.149 30 40 HIEB CCOC[C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 552994428 SRQXQZJNKXRQQV-QGZVFWFLSA-N 403.954 4.093 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S 681104 FUKDLIIPDRNNAX-DEDYPNTBSA-N 407.539 4.030 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/N=C/c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3O)cc2)c1 1644610 KQNVPCLMARLCKC-XHQRYOPUSA-N 406.354 4.415 30 40 HIEB CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2cc(Br)ccc21 4554115 RYKGEGBUIHNFRG-AQKVLALTSA-N 418.287 4.049 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1OC 5980673 IQUUMFQBBYTOPS-MRXNPFEDSA-N 411.527 4.091 30 40 HIEB COc1ccccc1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1 12995486 RDYLAVIFDXJKAJ-LJQANCHMSA-N 405.479 4.096 30 40 HIEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 13845561 CNRDYJJPVRJFNS-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccsc2c1=O 104101836 GVNQLVYAUYCRRJ-BYNSBNAKSA-N 405.589 4.066 30 40 HIEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1 224735873 GYBPBNVFCVIMJW-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 408618627 KREXKYMFCZYHPS-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CCOC(=O)Cn1c(C)c(/C=N/Nc2nc3ccccc3n2CC)c2ccccc21 408692840 WOQWHPFNJGXYKD-ZVHZXABRSA-N 403.486 4.328 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408796912 FDCNYAGQTYRDQD-RCCKNPSSSA-N 424.456 4.135 30 40 HIEB CN(C)c1ccc(-n2cccc2/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc1 408955590 XULWTYGTJUKXBJ-ULJHMMPZSA-N 418.522 4.009 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409153516 LIZPFUPQZFBMOD-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB Cc1ccccc1[C@@H]1CN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCO1 582763621 PBBUTHMLNXYFBI-FQEVSTJZSA-N 402.416 4.148 30 40 HIEB COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(I)c1OC 1093492 QVTDKSTUBDXZLE-UFWORHAWSA-N 410.211 4.141 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1cccnc1 5490548 JMBCCZMIHLVMBY-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccnc2Sc2ccccc2)n1 6606114 YLDKKNFSWIOLFC-INIZCTEOSA-N 409.492 4.031 30 40 HIEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc2c1 6760317 LASSSWOFQPIEIN-UHFFFAOYSA-N 421.449 4.009 30 40 HIEB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C#Cc2ccccc2)cc1 9908927 OGJHCQVJRALNAE-UHFFFAOYSA-N 422.406 4.214 30 40 HIEB Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 10992626 QOSCUQMYZRBOIM-INIZCTEOSA-N 424.460 4.390 30 40 HIEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc1C 11916135 GUZCMMMXDYKPLY-UHFFFAOYSA-N 403.847 4.355 30 40 HIEB N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2ccccc2)CC1 12418669 IPNKPEXQWDYPBC-ZHACJKMWSA-N 418.884 4.332 30 40 HIEB N#Cc1cccc(Oc2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)c1C#N 35140511 XYYPJBKAJRTJQG-UHFFFAOYSA-N 400.365 4.401 30 40 HIEB COc1cc(Br)c(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1OC 46192309 ZHDFSRCHFHYUOC-VXLYETTFSA-N 419.304 4.270 30 40 HIEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc([N+](=O)[O-])cc1 408752418 HEGORACAXDLWQO-VGOFMYFVSA-N 404.791 4.048 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc2c(cc1Cl)OCO2 408845378 WHMBKQWABRZNSF-IBGZPJMESA-N 423.852 4.200 30 40 HIEB Cc1cc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)c(C)n1C 585295181 OQPHJIJNYNRNAC-UHFFFAOYSA-N 406.559 4.488 30 40 HIEB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)/C=C/c3ccco3)c3ccccc32)c1 4556277 OZZDUYPYFAEULX-CJZRDCOESA-N 401.462 4.303 30 40 HIEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 4964421 BPXSCTHKRFEAOA-OEAKJJBVSA-N 405.410 4.406 30 40 HIEB Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C#N)cc1 5238323 XXUSBFSNIUNWRF-INIZCTEOSA-N 418.522 4.353 30 40 HIEB Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 5350174 PVEVHBSYHMRRKT-NUGSKGIGSA-N 407.499 4.049 30 40 HIEB COc1ccc(/C(=N\OC(=O)c2ccco2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5526811 YSKMMBKDDLGVEC-CRUADPGYSA-N 405.406 4.382 30 40 HIEB COc1ccc(Br)cc1/C=N\n1c(S)nnc1-c1ccc(C)cc1 6032848 DUGKZXRSFRKBIQ-GRSHGNNSSA-N 403.305 4.196 30 40 HIEB C=CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCc1ccc(C)cc1 9582340 PFHJRRFQAABJSB-UHFFFAOYSA-N 408.527 4.003 30 40 HIEB CC(C)(C)C1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 12881695 GHTIWCUGEWKAFR-UHFFFAOYSA-N 410.518 4.307 30 40 HIEB COc1ccc(CN/N=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1OC 20196397 MAMQXBBJMFQZJL-CVKSISIWSA-N 401.466 4.278 30 40 HIEB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 29053347 YBDQBSNUOUHTNR-JOCHJYFZSA-N 422.891 4.358 30 40 HIEB Cc1[nH]c(/N=C(\N)Nc2ccc(Cl)c(Cl)c2)nc(=O)c1Cc1ccccc1 31717217 JDUFEMHVRCHKDV-UHFFFAOYSA-N 402.285 4.034 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 58823364 UJUXKGOPCDRSNU-LSHDLFTRSA-N 412.342 4.399 30 40 HIEB CC[C@@H](NC(=O)Cn1c(C)c(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987010 SQIHZFATVQIVDJ-HXUWFJFHSA-N 403.482 4.250 30 40 HIEB CO/C(=N\[C@H](NC(=S)NC(C)(C)C)C(Cl)(Cl)Cl)c1ccc(C)cc1 102628513 RUTDVTZVUCXSFQ-UAAGNOOKSA-N 410.798 4.347 30 40 HIEB COc1ccc(CN2C(=N)[C@@H](C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 104494709 UETHKOOPLSSYMI-NLFFAJNJSA-N 412.493 4.346 30 40 HIEB O=[N+]([O-])c1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)ccc1Cl 409103921 XLKRGKTXKXJLOB-OMCISZLKSA-N 400.572 4.375 30 40 HIEB CCc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2)cc1 2360530 QXYKOHIQMRCVCF-INIZCTEOSA-N 404.392 4.212 30 40 HIEB O=C(CSc1c(F)c(F)c(C(=O)O)c(F)c1F)Nc1ccc(F)c(F)c1F 2556001 LPHPFODSWDZWBQ-UHFFFAOYSA-N 413.270 4.089 30 40 HIEB Cc1ccc(-n2c(SCC(=O)N(CCC#N)CCC#N)nc3ccccc32)cc1 6032821 MHMIQJOJLHYFKW-UHFFFAOYSA-N 403.511 4.082 30 40 HIEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)cc1 6084055 NXEOJVSEBJVAAR-NEPJUHHUSA-N 407.253 4.203 30 40 HIEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6812722 YKRMQSWLSLLORJ-OAQYLSRUSA-N 402.450 4.124 30 40 HIEB COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1N1CCCCC1 6994067 DJAAXIXYBINWKQ-UHFFFAOYSA-N 405.527 4.430 30 40 HIEB O=C1C[C@H]2c3ccccc3CCN2C(=O)[C@@H]1/C=N/OCc1ccc(Cl)cc1Cl 12961083 MOVLVBZQGVQSQG-OLYXRRBISA-N 417.292 4.211 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 20647417 PQNULEWZBCSFOT-DBYZZWJSSA-N 421.493 4.273 30 40 HIEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 27793530 HUYFCBPFQWIFDW-QFIPXVFZSA-N 402.498 4.316 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 29072312 MCIQFFYNBJYXPL-KRWDZBQOSA-N 424.551 4.393 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 33958708 WIFCKXHMDYGNCN-ZRUGFMRLSA-N 420.896 4.450 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccc(O)c2)sc1C 102929027 YCWSEDMHRDOGMR-SELCWUDQSA-N 406.463 4.092 30 40 HIEB Cc1cc(O)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 408543909 QPEQDOLLJDUWLV-GFCCVEGCSA-N 416.572 4.306 30 40 HIEB COc1cccc(/C=N/OCc2ccccc2C#N)c1OCC(=O)Nc1ccccc1 408594130 GAZRBVVCDHHCSC-CVKSISIWSA-N 415.449 4.135 30 40 HIEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)c(O)c(Br)c1 409090174 LXMMMPRCQFLHTC-WDZFZDKYSA-N 423.060 4.262 30 40 HIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2C)c1C#N 983460 KJXOPVRUICKNFL-UHFFFAOYSA-N 420.332 4.210 30 40 HIEB Cc1cc(C)c(NC(=O)C[N+](C)(C)C[C@H](O)COc2cccc3ccccc23)c(C)c1 2017808 NZIABLNBSAKBCW-QFIPXVFZSA-O 421.561 4.220 30 40 HIEB N#Cc1c(N)n(-c2ccc(NC(=O)c3cccs3)cc2)c2nc3ccccc3nc12 2421810 YXPJDUFMTWGYKN-UHFFFAOYSA-N 410.462 4.341 30 40 HIEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 3362431 FZKKABQPUWKRBW-UHFFFAOYSA-N 413.433 4.001 30 40 HIEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C#N)C1 4275205 WBMQOOXVLWRYKF-UHFFFAOYSA-N 415.518 4.367 30 40 HIEB C=CCN1C(=O)/C(=C/C=C/C=C/N(C(C)=O)c2ccc(OC)cc2)SC1=S 4525790 BWNKJPPJEXACJU-VCGOOPIJSA-N 400.525 4.048 30 40 HIEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(OC(F)F)cc3)cc2F)CC1 7586391 MVEDSPXLSARDHH-BJMVGYQFSA-N 404.432 4.465 30 40 HIEB N#Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 8745467 BUZBGMNHGFCOCZ-HXUWFJFHSA-N 414.490 4.081 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2sccc2c1=O 12820730 ALVXEWKDYZKLKK-UONOGXRCSA-N 411.552 4.102 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c1 20648993 RFWBWJSYZAQCRP-HMAPJEAMSA-N 409.482 4.402 30 40 HIEB C=CCn1c(-c2ccccc2)nn(CN2CCN(Cc3ccccc3)CC2)c1=S 23486894 GGXZANOPFYXMKX-UHFFFAOYSA-N 405.571 4.042 30 40 HIEB CC[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C 25756908 FSJUEVABZCOMDI-FQEVSTJZSA-N 407.543 4.453 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1 100744287 NBZXMBPRBWXSSQ-KCPBCNAGSA-N 401.591 4.414 30 40 HIEB Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Br)C(=O)c3ccccc32)cc1C 100823062 FUFHIOZSSUPTSS-FXBPSFAMSA-N 418.312 4.265 30 40 HIEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224938369 HCGZJMPYYYRFSS-UHFFFAOYSA-N 400.283 4.146 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(O)cc3)S2)cc1 408950947 GXVVXSQHSSCSKC-XSFVSMFZSA-N 405.479 4.473 30 40 HIEB COc1ccc(Cl)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409285026 MPLDRNLQANIMTL-UHFFFAOYSA-N 406.667 4.012 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S 409337994 AYOGIEHJQBQHLS-JYRVWZFOSA-N 407.879 4.449 30 40 HIEB N#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2 20790351 NFWFNKQJHIUIBD-UHFFFAOYSA-N 415.585 4.492 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O 2833176 HRQQZLFKELYBJR-STZFKDTASA-N 400.409 4.084 30 40 HIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608160 WFZMNBKPPODYMI-XIKOKIGWSA-N 419.451 4.411 30 40 HIEB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)cc2c1 79112457 LYBNKQYLVCVXQO-NRFANRHFSA-N 404.857 4.466 30 40 HIEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224626181 ZCONDOUMMBFZKL-UHFFFAOYSA-N 417.270 4.292 30 40 HIEB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)Nc1ccc(C(F)(F)F)c(F)c1 1671919916 OPVVJSCHKSHWCC-UHFFFAOYSA-N 421.276 4.228 30 40 HIEB COc1cc(OC)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br 1102974 FYQLHGZIQWVDHA-FYJGNVAPSA-N 405.292 4.054 30 40 HIEB COc1ccc(Br)cc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 13633107 VFLACYBMNGYBML-XKZIYDEJSA-N 422.754 4.263 30 40 HIEB CCOc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 4699910 MLSQYJGRYJIWJR-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB CCC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 5030643 FOXYDHCYCFBZHT-PTHMFHIQSA-N 424.570 4.395 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 6813580 TVJUWSBWUAFMJB-MJGOQNOKSA-N 415.848 4.236 30 40 HIEB Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)o1 13656136 MJHGOWSQIWWFDP-GRSHGNNSSA-N 400.383 4.111 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(OC)c1 24672016 RRKOXCRCZRXKNG-QFIPXVFZSA-N 416.562 4.272 30 40 HIEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 35656275 YXUWPZHDBATULJ-UVOXWLTBSA-N 409.511 4.465 30 40 HIEB COc1cc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)ccc1O 100297615 XXSSADKIMXVYAN-JBCNATCCSA-N 401.418 4.027 30 40 HIEB COc1ccc(/N=C\c2cc(Br)c(I)o2)cc1 408950539 GFJOQLGLVLVKHM-CHHVJCJISA-N 406.017 4.406 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)ccc1OCc1cccc(F)c1 409351699 YHJRZHWYDNBIMQ-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Cl)cc1 4600238 NSQLFLQRBLPAOY-WQRHYEAKSA-N 412.873 4.227 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C#N)cc2c1 4994009 CJABIUMTQXJYOA-UHFFFAOYSA-N 408.439 4.144 30 40 HIEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)NC2=O)cc1Br 15226941 OXJSMNOUMOSKMP-LZYBPNLTSA-N 415.268 4.224 30 40 HIEB N=C(NOC(=O)c1ccccc1)[C@@H](/C(O)=N/OC(=O)c1ccccc1)C1CCCCC1 31637990 GVWUKOPRGKMIMS-IBGZPJMESA-N 423.469 4.250 30 40 HIEB Cc1cc(N/N=C2\C(=O)N(C3CSC3)c3c(F)cccc32)ccc1Br 223756486 BNKJPPDWNPAWIR-JWGURIENSA-N 420.307 4.175 30 40 HIEB COc1ccc(Br)cc1C=NN1CCN(Cc2ccc(C)cc2C)CC1 254381451 MTVLUKMEJBUQCQ-UHFFFAOYSA-N 416.363 4.226 30 40 HIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 409042654 NYWAVMBLQNLHAJ-IXPZEXRESA-N 400.478 4.016 30 40 HIEB C#C[C@@]1(OC(=O)CCC(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4083831 WVQWHYYYWVTTAS-KTEOLQIHSA-N 412.526 4.298 30 40 HIEB biogenic COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 4182732 MSTZTORQVACHGQ-CCDWMCETSA-N 423.509 4.103 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 8566547 QWWMHXGQMRSADX-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccccc1Cl)c1cccs1 9763857 NSVIYOLSCQEYNS-CYBMUJFWSA-N 403.872 4.036 30 40 HIEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 12898100 WZXDCGVUSJYVPM-HXUWFJFHSA-N 407.420 4.247 30 40 HIEB CCC[C@H](C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32829267 FGYVZIDPHMFQSJ-LIRRHRJNSA-N 412.490 4.408 30 40 HIEB CN1/C(=C2\C(=O)SC(=S)N2CC(=O)O)Sc2ccc(-c3ccccc3)cc21 36035071 WXSRUUGUXISUPB-MSUUIHNZSA-N 414.533 4.010 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC2)nc1 40117544 CHIWTDGUMJZGRO-QHCPKHFHSA-N 406.505 4.356 30 40 HIEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 84357909 PZWJDKZQASFYBM-QGZVFWFLSA-N 404.301 4.219 30 40 HIEB COC(=O)C[C@H]1S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccc(C)cc23)C1=O 103441664 XYEXLGQIKUTSHR-XMVGPFMNSA-N 421.522 4.214 30 40 HIEB C#CCOC(=O)c1cc(Br)c(OCc2ccccc2F)c(OCC)c1 216831055 JPDWOBZLMZZXQQ-UHFFFAOYSA-N 407.235 4.356 30 40 HIEB N#Cc1c(N)nc2c(c1-c1ccccc1OCc1ccc([N+](=O)[O-])cc1)CCCC2 408977660 FDACKISZEASEEM-UHFFFAOYSA-N 400.438 4.568 30 40 HIEB CCOC(=O)c1sc2nccc(OC)c2c1N/C=N/OCc1ccc(F)cc1 4002352 CVKSBUJBDBEFAE-UHFFFAOYSA-N 403.435 4.193 30 40 HIEB C=CCSc1nnc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)s1 8746470 VNNUUVHZZDLQLZ-UHFFFAOYSA-N 423.523 4.295 30 40 HIEB Cc1cccc2cc3cc(C#N)c4nc5ccc(Br)cc5c(=O)n4c3nc12 9816031 LPCOKAWAWSWJMD-UHFFFAOYSA-N 415.250 4.492 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 20503202 VPMJMDJLLSSUCP-XMMPIXPASA-N 419.525 4.058 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102535722 AXXKTTZSGHFJKN-YDJIHCHBSA-N 406.413 4.311 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408726259 AVXJIVWDAQCWBO-DVLAOVSMSA-N 401.249 4.394 30 40 HIEB C=CCn1c(O)c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21 1253816 ZHKIYKNKZQRYSJ-UHFFFAOYSA-N 413.271 4.216 30 40 HIEB C=CCNC(=S)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2CC 12323652 YXOLJHXUZSMSHZ-UHFFFAOYSA-N 412.588 4.228 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1cccs1 12997682 QTRIXGXGKRJZLY-NRFANRHFSA-N 400.503 4.391 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 17299962 DBQJWFWTFGCSLS-NTEUORMPSA-N 407.651 4.441 30 40 HIEB CCOC(=O)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 32904286 NLTQABZUDVEGAF-UHFFFAOYSA-N 409.511 4.060 30 40 HIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 46668054 CXHBUPFGBAXNEE-VFNWGFHPSA-N 401.422 4.221 30 40 HIEB O=C(NCc1ccccc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68573705 MBYGYAYBAZPQOT-SECBINFHSA-N 419.190 4.338 30 40 HIEB biogenic CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3Br)[C@]12C#N 103021014 PNKOJZWIWPTZQO-KBMXLJTQSA-N 421.389 4.097 30 40 HIEB C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224880308 KXMQYMKLQRTPNV-UHFFFAOYSA-N 410.333 4.401 30 40 HIEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC#N 408870316 SOXITCGMBKBWDX-ZDLGFXPLSA-N 413.886 4.451 30 40 HIEB Fc1ccc(Nc2nc(N/N=C/c3cccc(F)c3)nc(N3CCCCC3)n2)cc1 408976435 RDYWEVJZFLXFMQ-ZVHZXABRSA-N 409.444 4.330 30 40 HIEB N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409232274 NPXUAKVRAUYXRB-OEAKJJBVSA-N 409.445 4.230 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)cc1OC 4279847 QGWJVHMAVZVIOU-JOCHJYFZSA-N 416.481 4.293 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 4629634 OARHAIDSCYYZGB-GOSISDBHSA-N 403.862 4.326 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc2c(c1)OCO2 5151162 VECPAUIDOKCAGS-NKVSQWTQSA-N 404.349 4.390 30 40 HIEB Cc1ccc(C#N)c(SC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1 16291411 WADGTTQIAURLFD-UHFFFAOYSA-N 415.474 4.110 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cccc(C)c1 21991294 GEEXGXOTPVXGMP-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB O=C(COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)Nc1ccccc1 28215645 CDMUXXIJAQAVRH-HZHRSRAPSA-N 404.495 4.025 30 40 HIEB COc1ccc(NC(=S)NCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35291965 OHCXRVVYLJVLKX-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1ccc(-c2nc(SCC#Cc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 72314409 GBYGRCZQTBGGPW-UHFFFAOYSA-N 407.882 4.114 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(I)c1O 408650773 BQNZLMJETZMTGG-RUDMXATFSA-N 424.234 4.300 30 40 HIEB C=CCOc1c(Br)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 409093407 ZSAXWXBAONOCQS-GDNBJRDFSA-N 414.255 4.367 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cn(Cc2ccccc2F)c2ccccc12 409345407 IIHOLSVLRQTAEU-UHFFFAOYSA-N 412.424 4.126 30 40 HIEB CCc1cccc(C)c1-n1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409354278 BJFIOESLZUADHG-UHFFFAOYSA-N 400.482 4.263 30 40 HIEB CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C 2056125291 NVGSRNZUFVOZRD-UHFFFAOYSA-N 409.188 4.396 30 40 HIEB CCCCCOc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 2291877 ALZVPWYGTWJSLY-WJTDDFOZSA-N 407.514 4.013 30 40 HIEB CCOC(=O)CN(C(=O)CSc1nc2cc(C)ccc2cc1C#N)c1ccccc1 4125177 HEMSAOLQKPVMOA-UHFFFAOYSA-N 419.506 4.103 30 40 HIEB COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)c1 4279849 PPKWZSIAOXQGPA-JOCHJYFZSA-N 416.481 4.293 30 40 HIEB CCOC(=O)c1ccc(/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 4557708 DMBPOENKCNIDLW-LVWGJNHUSA-N 405.498 4.164 30 40 HIEB CCOc1cccc2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)c(=O)oc12 4598229 WTFFTUXCFACHPF-PKNBQFBNSA-N 410.422 4.114 30 40 HIEB COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O 4987411 UHFCYJHNCXGLCS-PKOBYXMFSA-N 421.493 4.192 30 40 HIEB C=C(C)Cc1c(OCC(=O)OC)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 6624340 GXIIRIYEQFOOFY-UHFFFAOYSA-N 412.445 4.262 30 40 HIEB biogenic Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 6720039 BRPYMQXBKFKNIF-AZUAARDMSA-N 411.885 4.406 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)Cc3ccccc3)c2C#N)C1 10687027 RJTXQLUUEBXTIW-OAHLLOKOSA-N 416.568 4.078 30 40 HIEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1 12418276 ZFWZTBOBQVTGBM-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 40086825 QEPYDUWLHBPSFT-UHFFFAOYSA-N 413.477 4.415 30 40 HIEB CCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCC)S(=O)(=O)O 59237143 OXLXSOPFNVKUMU-SFHVURJKSA-N 422.584 4.440 30 40 HIEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(SC)cc1 224993819 XPZUTXWFLVLKTA-UHFFFAOYSA-N 405.541 4.275 30 40 HIEB C#CCOc1c(Cl)cc(/C=C(\Sc2n[nH]c(CCC)n2)C(=O)O)cc1OCC 408633135 WHBQHABRZPQRQH-PTNGSMBKSA-N 421.906 4.039 30 40 HIEB CC[C@@H](C)Oc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409405218 NMOXDYPQDGIIBI-ZMPPFODHSA-N 407.297 4.312 30 40 HIEB CCCCn1cc(CN2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)c(C)n1 585294583 SDTUNDQYPAEWQH-FQEVSTJZSA-N 421.574 4.796 30 40 HIEB COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 796003 VVHYQFXVNNVWTB-NRFANRHFSA-N 419.433 4.081 30 40 HIEB biogenic,in-vitro CCc1ccc(OCC(=O)/N=C(/Nc2ccccc2)Nc2nc(C)cc(C)n2)cc1 2206482 LVVVGIGBPCCMNS-UHFFFAOYSA-N 403.486 4.141 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2sc(CC)cc2c1=O 3450598 RWQOKWNSQIOGEY-CQSZACIVSA-N 413.568 4.350 30 40 HIEB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 7706477 WIUDVFWJODCZIP-INIZCTEOSA-N 405.429 4.289 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 12408571 RKHJBAJUNGIJNO-LHSJRXKWSA-N 418.453 4.066 30 40 HIEB N#CC1(C#N)[C@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 19818054 TZOBFGSXBGYAFI-GIFXNVAJSA-N 402.457 4.491 30 40 HIEB COc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 408729908 KSPDUDFRUQLVNG-LFVJCYFKSA-N 406.507 4.193 30 40 HIEB Cc1c(/N=C/c2cc(Cl)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C 783198 SGZIANIYEXUZCX-UFFVCSGVSA-N 420.694 4.357 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 2450560 NHOTVMSQZPUPAM-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CCc2c[nH]c3ccccc23)c1 4469174 HESGKXZSDVXCJA-UHFFFAOYSA-N 403.482 4.207 30 40 HIEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2 8156473 XDZWQLVCQZYUIB-CQSZACIVSA-N 411.527 4.076 30 40 HIEB COc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)NN2c2nc(C)cc(C)n2)c1 8558953 ONJWLDRQTFUKOV-GAJHUEQPSA-N 416.481 4.162 30 40 HIEB C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 9949265 ZXYYXIMWTDOEMF-HNNXBMFYSA-N 423.538 4.421 30 40 HIEB C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000830 IJSKEADWTJGDGK-GOSISDBHSA-N 422.282 4.121 30 40 HIEB C=CCOc1c(Br)cc(/C=N/NCc2ccccc2OC)cc1OC 20763090 UOWUFWJDQPJWFI-CIAFOILYSA-N 405.292 4.155 30 40 HIEB COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 32984324 CXSFYPAZCCDZNI-UHFFFAOYSA-N 409.438 4.484 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C1 100744285 NBZXMBPRBWXSSQ-BKZVIBCWSA-N 401.591 4.414 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 108155841 AYUWBYOVTNSKMM-KOSHJBKYSA-N 403.530 4.073 30 40 HIEB C=CCN(Cc1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 224471585 RLYXIZSGPDRKIF-UHFFFAOYSA-N 424.497 4.455 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)n1-c1ccc(Cl)cc1 408586050 BBMMSFZRPWMERB-AJPRLUCXSA-N 407.901 4.279 30 40 HIEB CCn1c(N/N=C/c2cc(Br)c(OC)c(OC)c2)nc2ccccc21 408692897 XXBHDPBCGLWFFL-RGVLZGJSSA-N 403.280 4.282 30 40 HIEB C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC=C)cc2Br)C1=O 408917201 OTEAXTZTDPILHU-MHWRWJLKSA-N 422.300 4.082 30 40 HIEB CC(C)(C)c1cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc(C(C)(C)C)c1O 4550781 RTNLRJTXEOIEQC-YDZHTSKRSA-N 413.543 4.060 30 40 HIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O 4667441 RCVPHLYVEAUQLA-DHZHZOJOSA-N 418.287 4.154 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Cl)c1 19973794 KEIQQMYMHRNROU-LJQANCHMSA-N 416.905 4.243 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccc([N+](=O)[O-])c1 35647738 HIVJZGIOHGEJIJ-NTEUORMPSA-N 404.245 4.249 30 40 HIEB C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 65453254 WXAKCWFITUWEFR-MRXNPFEDSA-N 405.527 4.060 30 40 HIEB COc1cc(/C=N\O)cc(I)c1OCc1ccc(Cl)cc1 100250266 FTDZMLPXNRNYBS-LSCVHKIXSA-N 417.630 4.340 30 40 HIEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc(O)c(C(=O)O)c3)c3ccccc32)o1 408542240 KBELLDIYBUARCM-RMORIDSASA-N 404.378 4.135 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 408587344 FNHULKPDXACODG-HYBGDYFVSA-N 407.901 4.279 30 40 HIEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1cccc2ccccc12 408739779 AIRSXUZZRSJXMR-UXHMZNKVSA-N 407.882 4.260 30 40 HIEB O=C(COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1)N1CCOCC1 409240984 MPQNUVHULRKJRQ-NLRVBDNBSA-N 400.478 4.342 30 40 HIEB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c1C 1965086 RSTGGYZYZMOTRK-UHFFFAOYSA-N 413.282 4.429 30 40 HIEB O=C(Nc1ccccc1)[C@H]1CC(O)=N/C(=N\c2ccc(Oc3ccccc3)cc2)N1 2208576 AOOUPFHAFJGAJT-HXUWFJFHSA-N 400.438 4.424 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 3550797 DWPIRVVBEVXGHN-KBPBESRZSA-N 419.616 4.022 30 40 HIEB O=C(NC1=C(Nc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 5525608 XGOQZHCTKBHLGV-UHFFFAOYSA-N 402.837 4.473 30 40 HIEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1C 6647593 ZPNLPDKHUIKOSM-UHFFFAOYSA-N 413.499 4.333 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 6786627 QCFVKESBIREDPN-HXUWFJFHSA-N 407.397 4.206 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F 8365516 FUQYCGYAOAOEKG-ZDUSSCGKSA-N 417.535 4.463 30 40 HIEB Cc1nc2cc(C(=O)OCC(=O)Nc3sccc3C#N)ccc2n1-c1ccccc1 8826074 VDANIENAGDPYQS-UHFFFAOYSA-N 416.462 4.063 30 40 HIEB C=CCn1/c(=N\C(=O)COc2ccccc2F)sc2cc(Br)ccc21 38873173 AEXCSPWJVBVLTF-DYTRJAOYSA-N 421.291 4.297 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 102583841 RSGMLABIFNBABO-LFVOPCPISA-N 415.873 4.276 30 40 HIEB C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 102735408 MRLZDWLIWGYDFI-IXBTYZTBSA-N 415.445 4.225 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)c1 102804130 YMNYVQGHIWAMPM-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CC2)CC1 257207809 BJJIFPDRNNNCKJ-UHFFFAOYSA-N 402.538 4.217 30 40 HIEB COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc(Br)c1O 408982001 XEOSZXLQLDIIDF-UHFFFAOYSA-N 410.271 4.655 30 40 HIEB O=C1NC(=Nc2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 409003304 ZIDCKSUMGQLAEA-RGEXLXHISA-N 408.483 4.477 30 40 HIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N+](C)(C)CC3)OCO2 1280261 HZBPGVLYWBSVJI-OAQYLSRUSA-O 419.501 4.251 30 40 HIEB biogenic CCOC(=O)c1sc2nccc(OC)c2c1N/C=N/OCc1ccccc1OC 4002353 MXMGFPFKTUIMKY-UHFFFAOYSA-N 415.471 4.062 30 40 HIEB Cc1ccc(SCc2cc(=O)nc(/N=C(/N)Nc3ccc(C)c(Cl)c3)[nH]2)cc1 13634060 IQHZHIGWDZRBRG-UHFFFAOYSA-N 413.934 4.391 30 40 HIEB CCC(CC)C(=O)/N=C(\NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 14730257 ONLWOWAKGBYVFG-UHFFFAOYSA-N 424.524 4.277 30 40 HIEB CCOC(=O)NC(NCc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 38154662 ZRCRLKRNHPSCCJ-UHFFFAOYSA-N 412.252 4.362 30 40 HIEB N#Cc1c(CCCNC(=O)c2cc3cc(Cl)ccc3o2)nn(-c2ccccc2)c1N 40087163 BUGLTRJXLJTPBY-UHFFFAOYSA-N 419.872 4.088 30 40 HIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)cc1Br 108990248 BOZRAVLGXAMGHV-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB C=CCOc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 219151945 KTQUTAHABDMXMP-UHFFFAOYSA-N 420.490 4.066 30 40 HIEB Cc1ccc(C(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408896603 OQVINSFSCJTGNT-LPYMAVHISA-N 420.381 4.477 30 40 HIEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccco1 408952562 KRWYFQRXKNFHJK-GFCCVEGCSA-N 404.282 4.049 30 40 HIEB CCc1c(C)sc(NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1C#N 721284 VLMZZMKUXJYHPF-UHFFFAOYSA-N 401.376 4.496 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 933881 XPGBYLWPVFJGGB-UHFFFAOYSA-N 406.511 4.302 30 40 HIEB CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)c1 4114993 OKAULENVERXBAP-OAQYLSRUSA-N 409.482 4.009 30 40 HIEB N#CC1(NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)CCCC1 4978263 OFLUYPMRDWCGHV-UHFFFAOYSA-N 412.873 4.028 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 5800049 APMZFGFOTJUNRY-HXUWFJFHSA-N 404.397 4.012 30 40 HIEB COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19535810 FVGAJYSGWWZLTP-FQEVSTJZSA-N 411.498 4.029 30 40 HIEB CCOc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 38653253 VSZSKPYZIVWZIO-UHFFFAOYSA-N 418.472 4.499 30 40 HIEB CCCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O 97954408 FLZVFLTUOZDDFJ-UHFFFAOYSA-N 423.561 4.026 30 40 HIEB C#CCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OCC)c2)C1=O 408917232 PMTVQXMKWSMWNJ-XNTDXEJSSA-N 424.316 4.305 30 40 HIEB CN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)SC1=Nc1ccccc1 409250049 LAZVFQULIDSTCK-NPPZMEKISA-N 403.463 4.409 30 40 HIEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCCC(C)C 1460241 RBWUPSSMPKSVMN-OAQYLSRUSA-N 410.518 4.370 30 40 HIEB O=C1/C(=C\c2ccccc2)CN(C(=O)CCN2CCCCC2)C/C1=C/c1ccccc1 1624183 FQEUNMBWPCOHCF-GJEUYDLNSA-N 414.549 4.441 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 5868788 YDRBQBPIKWTWOR-QGZVFWFLSA-N 411.527 4.235 30 40 HIEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1 5997545 IMFQBLQSKWRYTA-MRXNPFEDSA-N 411.527 4.091 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(OC)c1 6003402 JZWNWHVZDIOGEO-SJKOYZFVSA-N 411.527 4.234 30 40 HIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20731366 SWQZHKMAKXOPDQ-JOCHJYFZSA-N 404.857 4.336 30 40 HIEB N#Cc1cc(C#N)c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc1N 21425390 OXUHTHVSKMUBMX-GOSISDBHSA-N 403.442 4.018 30 40 HIEB CC(C)c1nnc2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3n12 64949206 SYYBQMVHQPRTKW-UHFFFAOYSA-N 402.483 4.003 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 102804210 ROBHNEYCHKOJPO-MOBKVPTQSA-N 423.509 4.024 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)c1 102804707 GKKREJHSXNXINH-MRJHHRETSA-N 400.434 4.025 30 40 HIEB O=C1/C(=N\Nc2ccc(Br)cc2)c2cc(F)cc(F)c2N1C1CSC1 223748244 VJZFJGGDKMLWCE-JCMHNJIXSA-N 424.270 4.006 30 40 HIEB COc1cc(/C=N\Nc2ccc(Br)cc2)ccc1OCC(=O)OC(C)C 408604513 UZJQMJDTPDCYHL-NHDPSOOVSA-N 421.291 4.234 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2Cl)cc1 408723337 RMZUOEWEKVSWAP-CVWKSKFMSA-N 420.896 4.450 30 40 HIEB O=C(Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc21)Nc1ccccc1 408914759 YVKLSNZAYJLQPS-MSXFZWOLSA-N 414.425 4.029 30 40 HIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1O 408931248 IXYAVHSXWIFRCG-FYJGNVAPSA-N 405.292 4.141 30 40 HIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)c1 408932557 XKEQTWJGIYSKMH-YZSQISJMSA-N 417.509 4.468 30 40 HIEB CSc1nc(Oc2cc(C)c(Cl)c(C)c2)cc(-n2nc(C)c(C#N)c2N)n1 632472 BPCRRMPKURNXHD-UHFFFAOYSA-N 400.895 4.209 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 4499410 UQUFJDYZUMDJJW-CCDWMCETSA-N 423.509 4.103 30 40 HIEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 5458259 AGRNIVVLHVMIHH-JOCHJYFZSA-N 412.445 4.428 30 40 HIEB C=CCSc1nnc(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)s1 6510131 WLVDNTFCPVNFTF-MDZDMXLPSA-N 415.519 4.410 30 40 HIEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1 6785073 UCCBMHZUIOXWGI-MRJHHRETSA-N 410.514 4.050 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917247 QGRITAWZXTZONB-NRFANRHFSA-N 405.450 4.322 30 40 HIEB C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CCC3 12660700 VAEPUJAIKDCURN-OKILXGFUSA-N 417.600 4.014 30 40 HIEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2c(Cl)cccc2Cl)C3=O)CC1 20533217 UJWITPJOUFRJML-ODLFYWEKSA-N 419.308 4.063 30 40 HIEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc2c(c1)OCCO2 25425726 YJUXMRQATOCVAQ-OVVQPSECSA-N 411.505 4.179 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2cc(C)ccc21 32088204 MAIXRDGYQUPGHQ-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB COc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)nc(O)c2C#N)cc1 40122657 FKMRDXSNMUGILF-UHFFFAOYSA-N 400.482 4.189 30 40 HIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCc2ccccc21 44085741 UXKMZXBKYDAJQZ-UHFFFAOYSA-N 420.494 4.326 30 40 HIEB N#Cc1cccnc1OC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 96102868 NURCVBRLEAGACQ-UHFFFAOYSA-N 409.917 4.488 30 40 HIEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OS(=O)(=O)c1ccccc1 409057963 XCWPSWYTCRJWOP-UDWIEESQSA-N 417.512 4.064 30 40 HIEB C=CCN1C(=O)[C@](O)(CC(=O)c2cc(C)ccc2C)c2cc(Br)ccc21 4554838 LGERBSRNIZIWGK-NRFANRHFSA-N 414.299 4.059 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3N)c2C#N)C1 6022909 MXJJZBROBFDSDO-ZDUSSCGKSA-N 411.527 4.148 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)c1 8022756 AYVPAXCKSFZXMD-NRFANRHFSA-N 409.482 4.089 30 40 HIEB Cc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 8193889 ZUDXMHBGYMUJLZ-IBGZPJMESA-N 423.538 4.106 30 40 HIEB O=S(=O)(/N=C(\Nc1ccc2c(c1)OCO2)c1ccccc1Cl)c1cccs1 12599985 FNARLMNDUPGZBL-UHFFFAOYSA-N 420.899 4.378 30 40 HIEB C=CCOc1ccccc1CN(C(=O)c1ccccn1)c1ccc2c(c1)OCCO2 12602642 UKXIWOSQQDJNBO-UHFFFAOYSA-N 402.450 4.265 30 40 HIEB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 22781321 QSZFWEFCOAYFHS-SANMLTNESA-N 424.548 4.364 30 40 HIEB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 36415398 QJZYYZUEEGTRHX-RUZDIDTESA-N 407.473 4.384 30 40 HIEB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 100129397 YJJUWHCQQJXVDG-QUCCMNQESA-N 402.494 4.285 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl 408803953 VCTLVRUMTCDHNB-SFQUDFHCSA-N 410.857 4.134 30 40 HIEB C=CCc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(OC)c1OC 409222503 DIQHWLSRNKLAOW-MOSHPQCFSA-N 423.490 4.352 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC(C)C)c1 409284216 UMEYKJNJILMHNG-UHFFFAOYSA-N 400.276 4.137 30 40 HIEB Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)c1 2424361 HEARFAFSSLIGJE-NRFANRHFSA-N 420.538 4.213 30 40 HIEB COCOc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(OCOC)c1 4772657 ZVPNYKCXNYSXME-ZZXKWVIFSA-N 420.845 4.068 30 40 HIEB Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2sc3c(c2C#N)CCCC3)cc1 5202852 YKBYWDSVCGQCBS-OAQYLSRUSA-N 419.506 4.451 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCc1ccccc1 7653607 MUQMBWNCEHGEQN-UHFFFAOYSA-N 402.475 4.183 30 40 HIEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCC(=O)OC 8811940 SCFGQANAPADLMO-LSHDLFTRSA-N 411.285 4.068 30 40 HIEB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 10218532 LXZFARAJMNRAOA-HNNXBMFYSA-N 416.568 4.246 30 40 HIEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)O[C@H](C)C4)o3)o2)cc1 12418942 AAZLLCBBLFGUQG-HUUCEWRRSA-N 409.442 4.007 30 40 HIEB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2n1CCC#N 12602509 QLDBEXZBGDGVSC-CYBMUJFWSA-N 410.465 4.231 30 40 HIEB C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1[C@@H]1COc2ccccc2O1 12979054 ZGBQEXBAFIRURG-CJNGLKHVSA-N 413.503 4.165 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C)cc2)cc1 16700800 JEIARKPWAXJFEA-NRFANRHFSA-N 409.482 4.009 30 40 HIEB N=C(NC(=N)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 100046745 BDVIKRZPWOTDRP-UHFFFAOYSA-N 407.105 4.196 30 40 HIEB in-vitro CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 100129400 YJJUWHCQQJXVDG-AZUAARDMSA-N 402.494 4.285 30 40 HIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950818 KFMUHXMUMXMGNM-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB C#CCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408555618 GPMOXMNHSRLNOR-UHFFFAOYSA-N 405.248 4.380 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408811783 RRQUAYLRHJOWIT-RCCKNPSSSA-N 412.445 4.379 30 40 HIEB COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(Br)cc1O 408966626 PRCXJVLFLGGUSG-LZYBPNLTSA-N 419.300 4.363 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2OCc2ccccc2)n1 6606036 DSPNVHRSLNEFRZ-SFHVURJKSA-N 406.463 4.064 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 8990599 PLQJFVNSYFKONA-NYHFZMIOSA-N 418.449 4.361 30 40 HIEB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 9509823 LDILWHFYFJPCJB-QGZVFWFLSA-N 423.476 4.038 30 40 HIEB COc1ccc([C@@H](C#N)NCCCCCCN[C@H](C#N)c2ccc(OC)cc2)cc1 31870886 NDJLUMWEIGSKMI-DNQXCXABSA-N 406.530 4.273 30 40 HIEB CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795033 QEUNCAKSPLGJQE-PXNSSMCTSA-N 409.482 4.334 30 40 HIEB O=C1C(=O)c2ccccc2/C1=C/c1cc(Br)cc(Br)c1O 5604662 YTUGOFSONAWEOP-SDQBBNPISA-N 408.045 4.223 30 40 HIEB O=C(C(=CNC(=S)NCc1ccccc1)C(=O)c1ccccc1)c1ccccc1 6574874 SRUXHWBPZJKSOQ-UHFFFAOYSA-N 400.503 4.300 30 40 HIEB N#Cc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 6779230 DZSOFHXYLXCSGX-VXKWHMMOSA-N 400.409 4.263 30 40 HIEB N#Cc1cccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 10732329 GZTXMMHPITYFPA-UHFFFAOYSA-N 401.805 4.344 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 13552800 AWNYTZUTPAMTBC-FQEVSTJZSA-N 422.412 4.304 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 16292295 AOIFJGKFPHRQKJ-MOSHPQCFSA-N 409.532 4.417 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OC(C)C)c(Br)c2)cc1OC 20196708 WREYCRQAFIJKOB-SRZZPIQSSA-N 407.308 4.377 30 40 HIEB N#Cc1cc(C#N)c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc1N 21425393 OXUHTHVSKMUBMX-SFHVURJKSA-N 403.442 4.018 30 40 HIEB CN(C(=O)CN(CCC#N)Cc1ccccn1)[C@@H](c1ccccc1)c1ccc(F)cc1 72308642 YWXNLEQUHBXPSE-VWLOTQADSA-N 416.500 4.184 30 40 HIEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cncc(Br)c2)cc1 103457477 OAPYCMDQTMOYMM-LKUDQCMESA-N 417.266 4.323 30 40 HIEB CC(C)(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1 104187103 LYFKVDWSUUBYPB-SELCWUDQSA-N 419.506 4.462 30 40 HIEB Cc1ccc(C(=O)NC(NNc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 2050390 FYKJMUGHVYYWCK-UHFFFAOYSA-N 409.305 4.302 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 2452928 ZELBVSPCXHXION-UHFFFAOYSA-N 414.918 4.427 30 40 HIEB O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 5773743 VJZMZSHMYNIRMW-HYARGMPZSA-N 400.887 4.231 30 40 HIEB Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1C[C@H]1COc2ccccc2O1 6401571 WLNSCHAXEGKWKN-FQEVSTJZSA-N 402.450 4.078 30 40 HIEB CN(C)c1nc(N/N=C/c2ccccc2C(F)(F)F)nc(Nc2ccc(F)cc2)n1 6878735 UISOVOVWJPXLIN-BHGWPJFGSA-N 419.386 4.285 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1 13162032 NXLUGOAKYFPKCE-NRFANRHFSA-N 416.433 4.018 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)c2C#N)C1 14189951 MDYMTRYMSXLKCT-LBPRGKRZSA-N 409.540 4.407 30 40 HIEB CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 29763920 AKXXERDYTJKGDS-YBEGLDIGSA-N 402.274 4.192 30 40 HIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1cc([N+](=O)[O-])ccc1O 36300177 VKMYAOUPHOIFSA-WYMPLXKRSA-N 414.425 4.290 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(F)cc1 100815558 VVWJGAKWSAXKND-VIZOYTHASA-N 420.234 4.492 30 40 HIEB CCCN1C(=O)[C@H](Cc2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 409144242 KECCNQIGJCWYQX-UTTYWZDOSA-N 414.527 4.297 30 40 HIEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCOCC2)c(F)c1 409148313 YEENQIQGRBDLMS-WQRHYEAKSA-N 417.893 4.207 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409296981 JQSBFWFOWPNYED-UHFFFAOYSA-N 400.276 4.044 30 40 HIEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(F)c(Cl)c2)c1=O 5861894 DUHIBDKXYCSPNB-UHFFFAOYSA-N 403.196 4.092 30 40 HIEB C#CCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 6678992 MCZBGMIWQZOCII-KKSFZXQISA-N 403.507 4.356 30 40 HIEB COc1cccc(-n2ccnc2SCC(=O)N(CCC#N)c2ccc(C)cc2)c1 8710122 BLEZYEQWTJWSOD-UHFFFAOYSA-N 406.511 4.228 30 40 HIEB Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9575752 YUAYSALAXRQXPW-QKKBWIMNSA-N 404.422 4.058 30 40 HIEB C=CCn1c(-c2ccccc2)nn(CN(C)Cc2ccc(C(=O)OC)cc2)c1=S 13017613 ZMHQICDXYVAEDK-UHFFFAOYSA-N 408.527 4.143 30 40 HIEB O=C(/C=N/Nc1ccccc1)c1ccc(C(=O)/C=N/Nc2ccccc2)c([N+](=O)[O-])c1 13402943 ONPCEZRHCSYLMB-OZEVPFDHSA-N 415.409 4.156 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1C 13569444 FBFOQXFDHJGAOE-HXUWFJFHSA-N 422.412 4.222 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 13749563 HLIJUTRTSWJLDG-WSTZPKSXSA-N 414.509 4.463 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)[C@@H]2C[C@H]2C)C1 19235452 YZYRSTLMOYIHQZ-SGGJORCASA-N 416.565 4.381 30 40 HIEB O=C1/C(=C\Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 20558870 RHEPDPZYNZBBCO-KGENOOAVSA-N 408.454 4.312 30 40 HIEB COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c1 36066000 MOACJKZREYOZJW-IKMPRTQCSA-N 409.482 4.400 30 40 HIEB O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102800140 JIKMDNCQTCAORB-YDJIHCHBSA-N 418.380 4.360 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102926046 AONUEEPKICCRQD-JBCNATCCSA-N 403.434 4.300 30 40 HIEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 408753304 GEUDNKUPFQVRFD-CIAFOILYSA-N 424.369 4.386 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)S2)cc1 408755712 MKVQUJNMSCKCEV-ZJYZBMPFSA-N 404.495 4.022 30 40 HIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2cccc(O)c2)CC(=O)O3)C1=O 1081801522 JKWDWVGZUYPALT-AGKWGAAGSA-N 414.413 4.458 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 1451104 JXJBWCVCIFYUKS-GOSISDBHSA-N 410.451 4.226 30 40 HIEB Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccncc3)c3nc4ccccc4nc23)c1 2234502 UOJQAGZRWAWCAL-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCN(c2cccc(Cl)c2)CC1 2402864 MFBZVPISLMZKPT-UHFFFAOYSA-N 409.833 4.101 30 40 HIEB CCC(=O)C1=C(c2cccs2)N(C(=O)CC)n2c(nnc2-c2ccccc2)S1 4518338 YHEJLSMLDMYPLD-UHFFFAOYSA-N 410.524 4.335 30 40 HIEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 4551230 OHVVKFSPDNEVGZ-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 4736242 CZALCXPXIYXRMF-CYBMUJFWSA-N 417.535 4.463 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 8785808 IJKOXOUYHLEHSR-OAHLLOKOSA-N 403.511 4.145 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O 21682807 HCTWJYGGZWOILI-CYBMUJFWSA-N 417.600 4.451 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)COc2c(C)cc(C)cc2C)c1 32945562 JVHYWHBUNWSZMI-UHFFFAOYSA-N 408.498 4.098 30 40 HIEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085687 CRNXPSLRWLZQOH-UHFFFAOYSA-N 405.523 4.426 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1 100842617 GXJKSVVWQRWBMW-XQDODVJUSA-N 408.504 4.380 30 40 HIEB O=S(=O)(Oc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104189990 OWKHRTDJLWTWRF-UHFFFAOYSA-N 410.641 4.474 30 40 HIEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(Cc3ccccc3Cl)n2)c1 223667357 NZCQDXWEVJXMJZ-UHFFFAOYSA-N 424.913 4.254 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 408880335 JIUSCUXGAQZCCC-RGVLZGJSSA-N 419.846 4.129 30 40 HIEB CC/N=C1/S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CC 408930770 BUQIHFPSACAPOD-HNPUNDFXSA-N 411.483 4.486 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc1OCC 409209188 HPIPQZWJMGNWLC-CRRKTRLDSA-N 419.499 4.028 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)c(C#N)cc2c1 1354846 SLVCVWOATDPKHH-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2c(-c3ccccc3)nc3ccccn23)c([N+](=O)[O-])c1 5072601 MJKWAWRRVDECGQ-FYJGNVAPSA-N 402.370 4.264 30 40 HIEB CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5900378 OIIDZZXPJOMYTE-MOSHPQCFSA-N 411.454 4.469 30 40 HIEB biogenic C[C@@H]1CCc2c(sc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)c2C#N)C1 9452931 QXNKDYUMNDRWSL-CQSZACIVSA-N 421.522 4.340 30 40 HIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(C(=O)O)cc1 16906116 AIHWLYQVMPLATD-NTEUORMPSA-N 403.257 4.039 30 40 HIEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 32971575 VLOBRYZPKMZHCS-LPAVIFGNSA-N 417.600 4.217 30 40 HIEB CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl 97959183 PBPXXFPGBIARCY-SDNWHVSQSA-N 412.987 4.409 30 40 HIEB C/C(=N\Cc1ccco1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 100580166 MVFTWOHRPFEGJS-LSHDLFTRSA-N 406.389 4.396 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 102540581 WZUIFGAIBOUFMP-UYTDBDHRSA-N 410.253 4.045 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929734 LRDWYQHWUFTIDC-YDJIHCHBSA-N 404.853 4.357 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015908 IMGPKDKAYBAMEA-UHFFFAOYSA-N 402.472 4.298 30 40 HIEB Cc1ccc(NC(=O)COc2ccccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408588325 BGJANXOLYRZGKP-ZVHZXABRSA-N 419.437 4.471 30 40 HIEB CN(C)c1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1 408751852 CZXVHYCLHRJJNH-CXUHLZMHSA-N 402.863 4.206 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1cccc(Cl)c1 868519 LZHAFYGVQGABEJ-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB Cc1ccc(C(=O)Nc2sc(C(=O)N3CCCCC3)c(C)c2C#N)cc1[N+](=O)[O-] 871255 RUVMYCCMUYADJX-UHFFFAOYSA-N 412.471 4.023 30 40 HIEB O=C1CCCC2=C1[C@@H](c1cccnc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2 959815 PMEBXXIBRKANAY-GOSISDBHSA-N 416.506 4.022 30 40 HIEB C=CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccc(Cl)cc2c1=O 3369829 ICZKZWFCHSNFOX-UHFFFAOYSA-N 417.962 4.335 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 4682586 RFSSUBFEIRLKSA-WNEPPRNQSA-N 416.474 4.475 30 40 HIEB CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1 5546253 RTNUNBDAKFQCAZ-OFRWBKCASA-N 418.522 4.314 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(Cl)cc2Cl)nc1 6408144 IBKDGZLUGPPCOK-CIAFOILYSA-N 415.346 4.255 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1ccc(OC)cc1 9236650 GCIIALJNKATDHK-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1 14094363 DXDLPPFQPNAQIX-INIZCTEOSA-N 414.465 4.258 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C)cc2)cc1 102869120 RLSQGEHVIBRCTE-SELCWUDQSA-N 405.479 4.090 30 40 HIEB O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)/N=C1/N=C2C=CC=CN2Cc2ccccc21 103445680 UTNKZMUNOWSGEV-DARPEHSRSA-N 406.829 4.062 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n(-c2ccccc2)c1C 103470364 MABZVDDXMFTPDL-FHWLQOOXSA-N 405.498 4.274 30 40 HIEB CC(=O)[C@H]1[C@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920569 HKTPWOIJKNNTFE-XBIOYQSGSA-N 414.615 4.167 30 40 HIEB CSc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4478024 WIJUIOCRAYELRX-CJLVFECKSA-N 411.579 4.020 30 40 HIEB C=CCc1cc(/C=N/NC(=S)NCC)cc(OCC)c1OCc1ccc(F)cc1 6891526 XPZYLFJRKDXUEU-AFUMVMLFSA-N 415.534 4.350 30 40 HIEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2C[C@H]1CCCO1 9339127 IYLAZNGDGGARHL-NWSMCOELSA-N 401.510 4.465 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2C1=O 15595980 ZNJUAZPJKKHRGE-GOSISDBHSA-N 417.490 4.056 30 40 HIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 17187399 SLYCLVYGPRJVKU-GFCCVEGCSA-N 415.808 4.227 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1OCC(=O)O)OCO3 18197591 LXLZQLHXXMXNAB-JOCHJYFZSA-N 421.449 4.079 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cccnc1 19138672 UPNNUWSYHBSJAU-NRFANRHFSA-N 400.434 4.182 30 40 HIEB CSc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 19830716 MRXOWRISFJEJCW-KKSFZXQISA-N 413.539 4.099 30 40 HIEB biogenic COc1ccc(/C=C2/S/C(=N/c3ccccc3Br)NC2=O)cc1OC 35644671 HRJSJBOVNVLRGP-MHWRWJLKSA-N 419.300 4.358 30 40 HIEB CC(C)(C)NS(=O)(=O)c1ccccc1N/N=C/C1=Cc2cc(Cl)ccc2OC1 63387789 OFISPVYLGJOOKQ-WSDLNYQXSA-N 419.934 4.291 30 40 HIEB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1 408887537 PCMXXUDHWHXXBG-SSDVNMTOSA-N 404.342 4.008 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(OC)c3O)S2)cc1 408951893 KJSYLENLBJAILR-CXUHLZMHSA-N 404.875 4.345 30 40 HIEB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)ON=C1C 409080357 NGEWZFZYFCSQQK-WDZFZDKYSA-N 403.070 4.317 30 40 HIEB CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1 409214744 YLAOJRYIEROAGI-KEBDBYFISA-N 408.248 4.070 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 876718 VCZSRQNQQHFRQQ-QFIPXVFZSA-N 406.457 4.441 30 40 HIEB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2C#N)c1CC 3273510 FWAPOIUEUDAKAM-UHFFFAOYSA-N 401.466 4.417 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCCOC(C)C 6668083 MUFFLIPSACVKBA-IBGZPJMESA-N 415.511 4.150 30 40 HIEB CCN(CC)S(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2C#N)ccc1C 7141133 OWPFNWQUYPFHCS-UHFFFAOYSA-N 420.922 4.195 30 40 HIEB Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 12418798 WAQBSUMPGBXXIS-CMDGGOBGSA-N 404.495 4.049 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)[C@@H](CC(=O)c3ccc(F)cc3)S1)C2 13017275 IQUGJIVYYGPFAC-YSANRVJVSA-N 401.507 4.188 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 18008347 DYCJAJLLXVAAST-QGZVFWFLSA-N 410.426 4.074 30 40 HIEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 21721925 AIKTWWPDAXQCNQ-QHCPKHFHSA-N 407.514 4.422 30 40 HIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608162 WFZMNBKPPODYMI-KPZWWZAWSA-N 419.451 4.411 30 40 HIEB COc1ccc([C@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1OC 27991312 WSISFKXSOUPXAV-IBGZPJMESA-N 406.486 4.254 30 40 HIEB N#CCOc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(Cc4ccccc4)CC3)c2c1 40267389 GUZPVWNZBZKZRA-QHCPKHFHSA-N 403.482 4.151 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cccc(Cl)c2)=N1 57401491 PPWAUXLWSGIJST-UHFFFAOYSA-N 414.918 4.262 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1 68752361 HYLRUOFRBPCRLB-QFIPXVFZSA-N 415.445 4.487 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102573361 DPTPWRPUJXZMNS-GHNGSUTGSA-N 414.845 4.470 30 40 HIEB COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1ccc(F)cc1 104095142 MXVGDJPJQOROKD-MRJHHRETSA-N 403.409 4.461 30 40 HIEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC 408768853 KHLBIHPMDBVNEA-XSFVSMFZSA-N 404.466 4.097 30 40 HIEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N1CC 408916428 XJVBDVKCUYVKFO-NMSSZPRHSA-N 410.495 4.336 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 409355150 BSEAIJQSSXECSO-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB C=CCn1c(SCCn2nc(C)cc2C)nc2sc3c(c2c1=O)CCCC3 557839839 GKKYKUVYUXHJGN-UHFFFAOYSA-N 400.573 4.128 30 40 HIEB COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccco3)sc2c1 796045 MRSKVEACKBYWBY-QGZVFWFLSA-N 422.418 4.274 30 40 HIEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238314 PMNXMTHOHGARME-OAHLLOKOSA-N 404.495 4.045 30 40 HIEB COc1ccc(-c2nn3c(-c4ccccc4)c(C#N)nnc3c2Br)cc1 5513979 BKUQGQHKDXBYLN-UHFFFAOYSA-N 406.243 4.101 30 40 HIEB CC/N=C1\S[C@H](Cc2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1CC 6348081 LSAVVCOVUXDRFC-VXJVBQPQSA-N 423.538 4.028 30 40 HIEB C=CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccc(C)c1 7653791 STRJQWAYEFRCAG-UHFFFAOYSA-N 410.518 4.030 30 40 HIEB N#CCSc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 9508348 SDKMQGJEYBTGDC-UHFFFAOYSA-N 421.551 4.491 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@H]12 20756197 DMMIXJHWIBEAFH-BBPVLXATSA-N 400.607 4.251 30 40 HIEB biogenic COc1ccc(Br)cc1/C=N\N1CCN(Cc2ccc(C)cc2C)CC1 28351279 MTVLUKMEJBUQCQ-UCQKPKSFSA-N 416.363 4.226 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cc(Cl)ccc21 32104872 DUZJAGWNXNPUJP-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1 100628241 MGPSGFSZXKPCLB-AEKNLGIRSA-N 410.524 4.195 30 40 HIEB O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102878026 UBTNXCWBQRHOMO-NHFXJNLRSA-N 417.392 4.150 30 40 HIEB C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O 104269241 PFEHTPBUONTSDE-VIDQGISLSA-N 411.870 4.467 30 40 HIEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 409088619 FXHYPFNQHQPECP-BOPFTXTBSA-N 417.527 4.085 30 40 HIEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)c1 409096814 FCBWEBKOEZVOLT-STZFKDTASA-N 407.539 4.340 30 40 HIEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1O 409213939 WLUUAWOEARHDID-OBHXIIETSA-N 413.337 4.252 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 3311155 DYRCXZTXARBFKM-UHFFFAOYSA-N 405.479 4.026 30 40 HIEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5787850 LJQHGEDNPQKBDF-MRXNPFEDSA-N 406.225 4.412 30 40 HIEB CO/N=C/NC(=O)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 8781953 MNFZQTLWCPOZBN-OAHLLOKOSA-N 422.794 4.140 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 9462505 SRBIBBFVBRILDK-IBGZPJMESA-N 422.462 4.392 30 40 HIEB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 10253413 OHMYYZJVJCTBFV-UHFFFAOYSA-N 402.541 4.323 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10357452 LDCVBIKFUJUCJM-HNNXBMFYSA-N 422.934 4.006 30 40 HIEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658168 OEOMMWMJRTXXIW-JCPVEWQXSA-N 419.565 4.354 30 40 HIEB biogenic C=CCN(C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccccc2)cs1 18120838 DGPZDEXNDZRQMV-UHFFFAOYSA-N 421.547 4.468 30 40 HIEB COc1ccc(CN/N=C/c2cc(Br)ccc2OC(C)C)cc1OC 20196361 VYBSMGMIDAYCCT-WSDLNYQXSA-N 407.308 4.377 30 40 HIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)c(Br)c3)C2=O)s1 107867880 QQVMFUIIOMMBEK-XRKISCQYSA-N 424.345 4.289 30 40 HIEB CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@@](C)(O)C=CC(=O)C(CO)=CC1 263636603 GYXPHGPELZUVGI-VJTSUQJLSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 408800062 JZZJULOKBLJXJB-JLHYYAGUSA-N 417.248 4.225 30 40 HIEB C/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1C 408930640 ZYNKHTIQHHNDQE-HZMZRVLWSA-N 402.903 4.460 30 40 HIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)cc1 409070167 DSEFJBWSCPYJSF-YDZHTSKRSA-N 407.430 4.020 30 40 HIEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCOCC1 2430491 HVEZRMVCCJPGTN-ZDLGFXPLSA-N 406.265 4.147 30 40 HIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1ccccc1 4368851 OENSZQPBRXIPLS-AFUMVMLFSA-N 410.543 4.158 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc([N+](=O)[O-])cc1 7721412 POKRNLPMWLSNHC-UHFFFAOYSA-N 412.833 4.056 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@@H]3C2=O)c(C)c1 9346330 HPYXJYJECHFNPV-VXNXHJTFSA-N 423.472 4.226 30 40 HIEB N#CCCn1cc(/C=C/C(=O)NCCc2cnn(-c3ccccc3)c2)c2ccccc21 11163702 OUBBBEPTBZOXRO-VAWYXSNFSA-N 409.493 4.113 30 40 HIEB COc1ccc(OC)c(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12463722 BLQNAGQSLBMBRN-OVVQPSECSA-N 413.521 4.425 30 40 HIEB COc1cccc(NC(=O)[C@@H]2S/C(=N/c3ccccc3)NN=C2c2ccccc2)c1 12545266 DWZDFRQEJBNYPF-OAQYLSRUSA-N 416.506 4.431 30 40 HIEB O=C(C[C@@H]1S/C(=N/Cc2ccc(F)cc2)NC1=O)Nc1ccc2ccccc2c1 12995521 WBBMFLWBLGFYKA-IBGZPJMESA-N 407.470 4.095 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2cc1OC 34791608 XWGQYLNFAQSYMJ-CQSZACIVSA-N 419.506 4.194 30 40 HIEB C=CCN1N=C(SCC(=O)Nc2ccc(C)cc2)N=C(Oc2ccccc2)[C@@H]1C 57401633 UALMWZFKSCPVQF-KRWDZBQOSA-N 408.527 4.305 30 40 HIEB CC(=O)OC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2OC(C)=O 68601924 LGKXYJINYDGGMN-YPCHGGDPSA-N 416.514 4.076 30 40 HIEB C#CCOc1c(Br)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 408545539 ZQRCBTPMXQGMKR-VOTSOKGWSA-N 407.220 4.235 30 40 HIEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(OC)cc1 3390337 JRJRAVLSRMCAJO-UHFFFAOYSA-N 420.538 4.211 30 40 HIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(OC)cc1 4331405 LJUMPGDYNOXXEI-INIZCTEOSA-N 410.543 4.380 30 40 HIEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 4335100 STQDLGGLDNEWAB-UHFFFAOYSA-N 421.504 4.385 30 40 HIEB COC(=O)c1cccc(Cn2c(Cl)c(/C=N/Nc3ccccc3C)sc2=O)c1 5051532 DGKHGJPNZXTUPV-SSDVNMTOSA-N 415.902 4.153 30 40 HIEB Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 5524725 RZPQPFOMXGKBQZ-OEAKJJBVSA-N 415.457 4.145 30 40 HIEB Cc1c(Nc2ccc(Br)cc2)nnc2c(C#N)c(-c3ccccc3)nn12 5612646 RJKWXUYSHARLLP-UHFFFAOYSA-N 405.259 4.478 30 40 HIEB O=c1c(/C=N/Cc2ccc(F)cc2)c(NCc2ccc(F)cc2)nc2ccccn12 6476936 PRWBYRPWRLEJIG-CVKSISIWSA-N 404.420 4.204 30 40 HIEB COc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N(C)CCC#N)c1 6587640 ALMXYGYWYWYYSO-UHFFFAOYSA-N 406.511 4.012 30 40 HIEB COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1ccncc1)C2=O 6669875 XIMSIVAHVZKBFL-NDENLUEZSA-N 417.417 4.243 30 40 HIEB CCN(CC)c1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C)cc1 12537235 HEYCKBNJBULRJI-UHFFFAOYSA-N 407.543 4.371 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2sccc2c1=O 12820737 ALVXEWKDYZKLKK-KBPBESRZSA-N 411.552 4.102 30 40 HIEB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)C2(C#N)CCCCC2)cc1 14197951 PEMRFDUMOKLWDI-UHFFFAOYSA-N 423.469 4.334 30 40 HIEB O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 18066710 SBIAUONHCWQWNJ-HKWRFOASSA-N 400.670 4.404 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 102703550 MRAQSJXHTNDFBU-MRJHHRETSA-N 418.449 4.316 30 40 HIEB CCN/C(=N\c1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 102845406 GRQLQCMTHXYJIV-QGZVFWFLSA-N 417.918 4.011 30 40 HIEB COc1ccc(C(=O)Nc2cccc(/C=C3\S/C(=N\C4CCCC4)NC3=O)c2)cc1 21190801 QXGJZBQVVVDYLW-ZHZULCJRSA-N 421.522 4.450 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc2sccc2c1=O 32946297 RTAOFUQQGRIVKF-AWEZNQCLSA-N 403.573 4.131 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 102601037 HWQSWXPVLPBKQZ-NHFXJNLRSA-N 418.405 4.118 30 40 HIEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(Cl)cc3)c2c1 15413811 YXRZNKKYOHFNBB-NRFANRHFSA-N 424.884 4.357 30 40 HIEB O=C1/C(=C/c2cccs2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9419495 FYLYOHBMXZGJIX-WQRHYEAKSA-N 402.424 4.271 30 40 HIEB O=C(O)c1cc(/N=C\c2ccc(O)c(I)c2)ccc1Cl 408962713 JNJWWWWDPKPPGI-IDUWFGFVSA-N 401.587 4.099 30 40 HIEB CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 97944120 NONMQNHUDCSIAK-UHFFFAOYSA-N 414.575 4.119 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(Br)cc1 408944775 VCJUNPAOGVFDMM-CXUHLZMHSA-N 402.244 4.353 30 40 HIEB O=C(O)c1ccc(Cn2cc(/C=N\NC(=S)Nc3ccccc3)c3ccccc32)o1 408542783 NVLLSSCGVVZOED-FMCGGJTJSA-N 418.478 4.301 30 40 HIEB O=C1/C(=C/c2ccccc2)CN(C(=O)CCN2CCCCC2)C/C1=C\c1ccccc1 5722235 FQEUNMBWPCOHCF-SIHVKLMXSA-N 414.549 4.441 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187763 FWEVAMQBBRVONM-UHFFFAOYSA-N 416.239 4.466 30 40 HIEB COc1ccc(C(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)cc1OC 2372334 SQXSWFADIRHGLK-UHFFFAOYSA-N 405.479 4.316 30 40 HIEB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C#N)cc4)c3C)C2=O)c1 4678040 CACHYAWUXJJZNL-YDZHTSKRSA-N 410.477 4.367 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)cc1 5432988 RCEJUQQHBOOLRO-NPMXOYFQSA-N 417.509 4.333 30 40 HIEB Cc1ccc(C[C@@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1C 5546263 RUFUEPSZSOOFLB-NNLCKWJRSA-N 418.522 4.368 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 9433798 QHQYVHJQEQMMBW-FQEVSTJZSA-N 418.405 4.275 30 40 HIEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 12970094 IRUYSMYHMVMAGR-QRQCRPRQSA-N 415.445 4.382 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)n1nc(C(F)(F)F)nc1N2 13816162 FJVULXVBRSXSRX-GTNSWQLSSA-N 416.359 4.011 30 40 HIEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 20624954 QHANFKIYXBCTRH-STZFKDTASA-N 409.482 4.417 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Nc2nc3ccccc3n2C)cc1 67317186 YRTASHNVVQDUTR-HZHRSRAPSA-N 419.510 4.129 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 102804207 ROBHNEYCHKOJPO-HOGKFDNTSA-N 423.509 4.024 30 40 HIEB C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(SC)cc1 224991967 CUTONIFWEZFDHE-UHFFFAOYSA-N 411.932 4.230 30 40 HIEB CN(C)c1nc(N/N=C/c2c(O)ccc3ccccc23)nc(Nc2ccc(F)cc2)n1 408721119 KWVCSGXWIYCLEO-ZMOGYAJESA-N 417.448 4.125 30 40 HIEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N/c1ccc(C(=O)O)cc1 408790810 ZCKHXSASEFUQGG-JWZYGLHISA-N 411.483 4.202 30 40 HIEB COc1cccc(/C=N\c2ccc3c(c2)OCO3)c1OCc1ccc(C(=O)O)cc1 409186673 GIOZYVWZCDKHGL-MSXFZWOLSA-N 405.406 4.452 30 40 HIEB CCCOc1ccccc1[C@@H]1C(C(=O)OCCOCC)=C(C)NC2=C1C(=O)CCC2 4066333 KQCQTNYUQPNTHX-JOCHJYFZSA-N 413.514 4.023 30 40 HIEB CCCC(=O)C1=C(c2ccc(OCC)cc2)N(C(=O)CCC)n2c(C)nnc2S1 4518297 ROJPKBPQZHSMBM-UHFFFAOYSA-N 414.531 4.094 30 40 HIEB O=C1CSC(=S)N1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 5013249 ONGJMECGJVPBCM-UFFVCSGVSA-N 412.927 4.387 30 40 HIEB COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)c1 6661942 GPYTWTFYNHNCNP-NKVSQWTQSA-N 417.417 4.243 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nnc1C1CCCCC1 6851095 OVMNWELVJFJHRA-UHFFFAOYSA-N 418.588 4.184 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 8990597 PLQJFVNSYFKONA-QRQCRPRQSA-N 418.449 4.361 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 17246565 PLGIFTQLWILHGZ-JOCHJYFZSA-N 423.509 4.336 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc3c(C)cccc3s2)nnc1-c1cccnc1 35655238 IGHWIMPOHLZQDK-UHFFFAOYSA-N 422.539 4.175 30 40 HIEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1CC=C 59135553 LKPBXRJRSJYGBY-XMHGGMMESA-N 404.397 4.073 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 102501836 PSYISPPNXRBXBB-MOBKVPTQSA-N 423.509 4.277 30 40 HIEB O=C1C(=O)N(CCc2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 104134767 PYJWPROGNOWYIL-HOGKFDNTSA-N 401.437 4.490 30 40 HIEB N=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)[C@@H]1c1nccs1 136277483 UFFXDYDNMFTRNB-NMFVZGKPSA-N 409.286 4.052 30 40 HIEB C=CCOc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 218223581 UFJGJFACPFKBPD-UHFFFAOYSA-N 422.506 4.085 30 40 HIEB CCOc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408594114 SGUCSOFEWUEORA-VXLYETTFSA-N 409.236 4.315 30 40 HIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c2C)c1 408750602 PFTCJHQQGRZMCP-FMCGGJTJSA-N 407.430 4.020 30 40 HIEB Cn1cccc1C=Nn1c(C2CCCCC2)nc2ccc(Br)cc2c1=O 409324995 VUYLCSNEEBUZPA-UHFFFAOYSA-N 413.319 4.427 30 40 HIEB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)Nc1ccc(F)cc1C(F)(F)F 590335117 OLZAICQLELRYKP-UHFFFAOYSA-N 421.276 4.228 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2621428 KOVUCAFCZGNYJC-QFIPXVFZSA-N 423.517 4.220 30 40 HIEB CCOC(=O)c1c(/N=C/c2ccc(O)cc2O)sc2c1CC(C)(C)NC2(C)C 4978866 HDGCGQSLZAJEPT-SSDVNMTOSA-N 402.516 4.246 30 40 HIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(I)cc1 5005547 BANWUBRTEJKAAH-GXDHUFHOSA-N 406.248 4.183 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccccc1OC 6076847 HXENPOBQESGYAJ-MRXNPFEDSA-N 420.538 4.210 30 40 HIEB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N 8156997 IASCZLDMTXQBCE-NSHDSACASA-N 415.569 4.318 30 40 HIEB O=C1N/C(=N/N=C/c2ccccc2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 14920866 ARZGRVVUUBWKDM-LOLMUVSESA-N 421.265 4.496 30 40 HIEB Cc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c([N+](=O)[O-])c1 59302069 NHOLYWPPIBITKC-FOKLQQMPSA-N 421.409 4.458 30 40 HIEB N/C(=N/OCc1cc(Cl)c2c(c1)OCCCO2)c1cc(Br)cs1 84335274 SBAGOXKICBJBEN-UHFFFAOYSA-N 417.712 4.162 30 40 HIEB N/C(=N/OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccnc1N1CCCCC1 84357743 IVEFNWLFZMOLOI-UHFFFAOYSA-N 411.893 4.217 30 40 HIEB O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439721 MEVCANHLQJVZSI-NHFXJNLRSA-N 400.390 4.221 30 40 HIEB C=CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408750846 SIXJQUNEBIMLAP-UWVJOHFNSA-N 411.643 4.417 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccnc1 718640 JWYFYPPRZCPMOX-UHFFFAOYSA-N 419.432 4.276 30 40 HIEB C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 3052111 ZRPFRQRZFASVEU-UHFFFAOYSA-N 407.326 4.370 30 40 HIEB C=CCn1c(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)n[nH]c1=S 4176480 SELZTNGSHICMNL-UHFFFAOYSA-N 406.511 4.289 30 40 HIEB COc1cc(OC)c([C@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 4818386 COJPWEFFRMUVFR-NRFANRHFSA-N 417.461 4.014 30 40 HIEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(Br)c(Cl)c2)c1C 6387067 CTRWJJYMSJMNFV-AWQFTUOYSA-N 413.772 4.328 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cc(Cl)ccc2Cl)nc1 6408141 SVUHLXWETQZNDZ-CIAFOILYSA-N 415.346 4.255 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)n[nH]c1=S 12825271 WYVZKXVEKAXOTH-UHFFFAOYSA-N 409.899 4.219 30 40 HIEB Cc1cccc(/N=C(\O)c2ccc(F)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 17948646 CNTDJYWDVJEVPQ-IYBDPMFKSA-N 404.507 4.437 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(O)c1 18167392 KZGHZWPXMAUULO-QVKFZJNVSA-N 409.507 4.378 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@H](C)C(C)C)cc1 32828929 IRAUCLBUVJSYKU-OXQOHEQNSA-N 408.527 4.433 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 103945010 NBZXMBPRBWXSSQ-ZZJOAXRLSA-N 401.591 4.414 30 40 HIEB biogenic Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)c(C)c1 409127923 RXFRBNHWWOWXAE-MOSHPQCFSA-N 411.502 4.171 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC)c1 409314737 HCGBDBRDGXENEV-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB CC1(C(=O)NCc2cc(F)cc(F)c2)CCN(c2ccc(Cl)cc2C#N)CC1 553101935 NCPBSZBNBWWGNO-UHFFFAOYSA-N 403.860 4.413 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(Cl)c1 1270317 DZTFRDMOGLIUFL-UHFFFAOYSA-N 401.875 4.171 30 40 HIEB Cc1ccc(C(=O)OC2=C(CS(=O)(=O)c3ccccc3)C(=O)CC(C)(C)C2)cc1 1400578 HZRMKVYAXFWLER-UHFFFAOYSA-N 412.507 4.269 30 40 HIEB CCc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)c(C#N)cc2c1 4848961 FRCKNRNZHDDDDI-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB COc1ccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2Cl)cn1 4869072 JCCWAHWDIAYXJS-UHFFFAOYSA-N 407.904 4.053 30 40 HIEB C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl 5238246 HWSJIYPTZJPCTF-LBPRGKRZSA-N 410.886 4.081 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1)c1cc2ccccc2o1 6080257 KCQYNABLZLRVTR-NRFANRHFSA-N 411.417 4.001 30 40 HIEB CC1(C)Cc2c(C#N)c(OCC(=O)Nc3ccccc3)nc(-c3ccco3)c2CO1 12323177 MCBDHVWUJORZTF-UHFFFAOYSA-N 403.438 4.082 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccs1 12390822 HUQIXCBTMUSAGB-UHFFFAOYSA-N 400.525 4.438 30 40 HIEB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/c1ccc([N+](=O)[O-])cc1 15240251 JJBRKDMLPNWHSF-CCULFSDZSA-N 417.381 4.104 30 40 HIEB C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 32676353 OEBHFJKZWPQXMT-UHFFFAOYSA-N 406.438 4.166 30 40 HIEB CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N\CC)S2)cc1 100172805 WYABFTGTROFIIB-KHOFPDMRSA-N 405.564 4.314 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)SC1=S 408812154 NWLUFYZGGHNNCJ-WQRHYEAKSA-N 412.536 4.488 30 40 HIEB COC(=O)c1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1 409036502 ROESLIDJXOYZLH-KTZMUZOWSA-N 412.261 4.447 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2ccncc2)cc1OC 4623236 GMXQXSULXZVLQV-QGZVFWFLSA-N 406.482 4.263 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O 5070426 QVOZQMATSNGIQJ-IIGRLWHBSA-N 411.527 4.338 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)cc2)cc1 5446291 KKMOFVGAPJPDSA-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C#N)oc4ccccc34)n2)cc1 8402216 HHQVLHIVHCJYQL-UHFFFAOYSA-N 403.467 4.383 30 40 HIEB CC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)COc2ccc(C#N)cc2)c1 12654088 GKOYKWARGWACHT-IMVLJIQESA-N 409.445 4.133 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCc4ccccc4)CC3=O)n2)cc1 13655746 UVPRGCZUCAENFS-INIZCTEOSA-N 419.550 4.352 30 40 HIEB N#Cc1c(O)nc(SCC(=O)OCc2ccccc2)nc1-c1ccc(Cl)cc1 15859830 ZYWGGFWWKKBDJY-UHFFFAOYSA-N 411.870 4.210 30 40 HIEB Cc1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c(C)c1 19852275 DOVQVJDGUKCBOS-UHFFFAOYSA-N 419.535 4.483 30 40 HIEB CCCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828650 FRDRRYWOBDUAPG-LJQANCHMSA-N 412.490 4.410 30 40 HIEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(-c2ccccc2)cc1 35392697 GTFKBEIWJALABS-UHFFFAOYSA-N 419.506 4.077 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1cccc(C(=O)O)c1 35657043 LJOOPVVZSJRTBO-ZIKOHYJISA-N 412.467 4.026 30 40 HIEB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)Cc1ccccc1 89608838 NEFQFHUUNJZGSK-SFHVURJKSA-N 407.470 4.313 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccc(Cl)c2)no1 102806122 MVINXHQASGCIEC-IBOXJLQUSA-N 400.843 4.324 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccco2)[C@@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@@H]21 206257509 HGRBKXLQZQPZDV-NAZDKBRTSA-N 418.493 4.336 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1 224370320 SSNHNZACVFSTAU-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)SC1=S 408571883 DATODZNMARMTQW-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408869713 RFUSOGUBBMTMFC-PGMHBOJBSA-N 424.456 4.081 30 40 HIEB CN(/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc([N+](=O)[O-])cc1 408892692 IZRHZIYCQJPUPZ-HYARGMPZSA-N 420.381 4.193 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccc(Cl)cc3)c1)[C@H]1C=C[C@H]2C1 409160915 KHVPTFWRYQTSBK-PGKJETJZSA-N 406.869 4.060 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(-c2ccccc2)cc1 2617049 ONZYHVZJMIGOBQ-UHFFFAOYSA-N 406.463 4.403 30 40 HIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4)nn32)cc1O 4949394 VSKWZBJPVJLOBI-OAQYLSRUSA-N 416.481 4.317 30 40 HIEB Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccc(Br)cc3)nc12 4964455 OKKMUVUQTIWYFX-UHFFFAOYSA-N 409.287 4.019 30 40 HIEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4cccc(C)c4)nn32)c1 6732446 CBEVUAINNMQHNB-JOCHJYFZSA-N 416.481 4.293 30 40 HIEB C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 7361034 YIJAZQQHGOECRG-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB N#CCN(C(=O)COc1ccc(Br)cc1Br)c1ccccc1 23418188 IIBZQPLUBRLKKN-UHFFFAOYSA-N 424.092 4.147 30 40 HIEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1ccc(F)cc1 104095140 MXVGDJPJQOROKD-JBCNATCCSA-N 403.409 4.461 30 40 HIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852444 KXENJLXVQQBVTO-LSFURLLWSA-N 413.821 4.195 30 40 HIEB Brc1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 408860140 YIDYCBLJFZMLGI-VCHYOVAHSA-N 414.097 4.392 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2c(c1)CCC2 5476054 RKEZFODSGRDFCU-UHFFFAOYSA-N 415.287 4.226 30 40 HIEB CCN(CC)c1ccc(/C=N/N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 5656557 XSNWRMAUAQECLC-ZVHZXABRSA-N 416.437 4.224 30 40 HIEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([C@@H](C)CC)cc1 6542031 PXXZBXYXOKLRCJ-INIZCTEOSA-N 407.539 4.294 30 40 HIEB CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1 6870398 MUHNDITXHMVPSP-PDGQHHTCSA-N 414.483 4.003 30 40 HIEB N#CCCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)c1ccccc1F 6943845 JVBVYWWYBWKNTC-UHFFFAOYSA-N 400.475 4.260 30 40 HIEB COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccncc2)CO3)C1=O 9423042 KTYYWFCORLZGOS-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1 12896330 UPIQVOYETSZLQV-UHFFFAOYSA-N 421.493 4.162 30 40 HIEB biogenic COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)c1 22828734 FWRHKAWWBYNLBK-UHFFFAOYSA-N 414.417 4.342 30 40 HIEB COc1ccc(-c2nc(CN3CCN(c4cccc(F)c4C#N)CC3)cs2)cc1 22977749 OEPQBOGVRSYXKW-UHFFFAOYSA-N 408.502 4.152 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OC)c1 102583851 RSGMLABIFNBABO-WOOAAIBNSA-N 415.873 4.276 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O)ccc2ccccc12 409277244 BFUAAQOHNFTSPA-UHFFFAOYSA-N 422.282 4.462 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 2448502 JMIKEMJDTFHPBX-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(OC)cc1 2450869 NWOBVGUYLZACDY-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB CSc1c(C#N)c(NS(=O)(=O)c2ccc3ccccc3c2)nn1-c1ccccc1 1986991 UHAGTXUHVQSYOD-UHFFFAOYSA-N 420.519 4.420 30 40 HIEB CC/C(=N\NS(=O)(=O)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O 102784403 LNNTZJWJSQBIGU-HMMYKYKNSA-N 405.278 4.072 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 102874138 SIOVVQCRQGUEPH-HVESIFNPSA-N 406.265 4.062 30 40 HIEB C=CCn1c(-c2ccccc2)nn(CN2CCN(Cc3ccsc3)CC2)c1=S 22778046 IOFBHFRPICLUTD-UHFFFAOYSA-N 411.600 4.104 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)nc1 25282736 PCDAXFVWIFBFAX-XMMPIXPASA-N 410.521 4.270 30 40 HIEB CCCCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 108066325 PYOKDCQTSSJOSH-UHFFFAOYSA-N 413.301 4.482 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(F)c(F)c1)n1ncc(C(=O)Nc3ccccc3)c1N2 44858943 YOWWVXMCGDWTMH-OAQYLSRUSA-N 420.419 4.436 30 40 HIEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 4498668 ALNYTXAISJBKSQ-OJLHXUGZSA-N 415.449 4.415 30 40 HIEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 6719497 ANOACLRLDUKDDD-UHFFFAOYSA-N 420.465 4.196 30 40 HIEB COC(=O)/C(=N\OC(=O)Nc1ccccc1F)c1ncc(C(F)(F)F)cc1Cl 8782070 LFALKYLYPDZMFU-CFRMEGHHSA-N 419.718 4.019 30 40 HIEB CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)nc2ccccc21 72313120 HRTQUEJSAXCMLR-FQEVSTJZSA-N 412.490 4.154 30 40 HIEB COc1ccc(Cn2nc(C)c(/C=C3\C[C@@H](C(=O)O)c4ccccc4C3=O)c2C)cc1 585082984 ISEKNJGFXRDUCB-FUAYJARZSA-N 416.477 4.395 30 40 HIEB CCOC(=O)[C@H]1CCCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)C1 19820626 SQJAJWYCYCWSKR-AWEZNQCLSA-N 416.934 4.170 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccccc1C 2324241 FYHLPGSKCZXHCZ-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB C=CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)c1 4696430 WHHCWHZVKNMDHU-JCMHNJIXSA-N 403.478 4.433 30 40 HIEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccs2)cc1 5920720 FOLATDPCHZYAIB-SFHVURJKSA-N 423.446 4.301 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 8740791 UWYUDRQIIBYNID-NRFANRHFSA-N 416.433 4.331 30 40 HIEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10253596 QQYNVJWLIPWVOZ-UHFFFAOYSA-N 402.541 4.323 30 40 HIEB C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccccc1 13097131 NOOGKEDDFAJQAU-KRWDZBQOSA-N 413.543 4.070 30 40 HIEB COc1ccc(CN/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC 20196092 RICJUNGHIYZKFI-ZVHZXABRSA-N 421.453 4.315 30 40 HIEB CC[C@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(S(C)(=O)=O)cc1 32976290 MBCCHEGVHQHBPN-XOMICKMZSA-N 422.959 4.399 30 40 HIEB CCOc1cc(/C=C2/CSc3c(F)cccc3C2=O)ccc1OCC(=O)N(C)C 96925173 JJRICEQMHXXYBC-GDNBJRDFSA-N 415.486 4.063 30 40 HIEB COc1ccccc1NC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O 100822127 GTFZYECFHWDORG-QQTULTPQSA-N 418.474 4.066 30 40 HIEB C=CCOc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294503 CSHIGTSVHBUETE-WOOAAIBNSA-N 422.462 4.236 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 102931972 OXHIPGCTTURWAC-AYWGPLOBSA-N 413.473 4.360 30 40 HIEB COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c1 662156 UUMXHJGXCJCPNA-UHFFFAOYSA-N 403.507 4.080 30 40 HIEB aggregator C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 101231604 GFXMVGNQRTUJCK-GHNGSUTGSA-N 412.283 4.365 30 40 HIEB C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 60163532 IJBQFFSRHDZDOE-DEOSSOPVSA-N 414.480 4.349 30 40 HIEB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 2601661 MDQYZZXBIIQORP-SNVBAGLBSA-N 421.910 4.230 30 40 HIEB C=CCOc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 29973643 KNMAUUAKBJWSBQ-UHFFFAOYSA-N 416.525 4.385 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 102530852 UKKCZPCUENBOOS-HOGKFDNTSA-N 424.516 4.323 30 40 HIEB C/N=C1/S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C(=O)N1C 59105039 CGOOKGPUFGWGMS-LVVZJAEZSA-N 416.886 4.149 30 40 HIEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3[C@H]3O[C@]132 4027405 PUQXXZQWBYBAOG-JMRSBHDGSA-N 423.597 4.467 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccccc1F 6079102 GJMRXQXYZFJUOL-UHFFFAOYSA-N 403.870 4.049 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(I)o3)S2)cc1 408754920 LUJNOKNCSJVFFZ-LCYFTJDESA-N 424.263 4.338 30 40 HIEB O=C(O)COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931712 PHQXLFGGWWTZIF-SSDVNMTOSA-N 409.269 4.044 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1 9479614 WREYRGILKSOZQX-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB CCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 22608549 QXCMKDXLEIKKNW-QLJPJBMISA-N 419.348 4.421 30 40 HIEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 409064195 CCBJNHFZXDHVNO-UDWIEESQSA-N 406.463 4.368 30 40 HIEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 16041460 HCKWLIFVKPDIEV-KUQPJALBSA-N 402.494 4.332 30 40 HIEB biogenic C=CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 19015680 OVAKJQBEWDAQTJ-DEOSSOPVSA-N 408.567 4.279 30 40 HIEB COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 38653668 ZNRRDAGMDXAIFV-UHFFFAOYSA-N 404.445 4.109 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1C 13003337 NUGPSHVLWPLARJ-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 13684104 DFDRDTKEXWKCQD-IBGZPJMESA-N 424.453 4.069 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F 20029230 YZWDGIFIAWASDP-NRFANRHFSA-N 410.489 4.054 30 40 HIEB CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)o2)cc1 5540607 DAWWMOUDKMOQSD-OAHLLOKOSA-N 402.406 4.205 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(OC)c1 6001982 RIYJPVZUEFWSCR-INIZCTEOSA-N 411.527 4.091 30 40 HIEB CN(C)Cc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(CN(C)C)c1O 6437182 KHLXXSIJHPFZPM-BJMVGYQFSA-N 417.347 4.174 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845952 UPWPBQWIUBXPNY-QHCPKHFHSA-N 424.456 4.498 30 40 HIEB N#Cc1cccc(S(=O)(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 9499692 AKQOCAZVFOVIEV-UHFFFAOYSA-N 417.284 4.059 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)[C@@H](CC(=O)c3ccc(F)cc3)S1)C2 12393543 IQUGJIVYYGPFAC-NVMDGZCYSA-N 401.507 4.188 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1OC 12637007 MISIQKJSXUDDBF-JAIQZWGSSA-N 412.438 4.041 30 40 HIEB biogenic COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(Cl)cc3)c2c1 15413814 YXRZNKKYOHFNBB-OAQYLSRUSA-N 424.884 4.357 30 40 HIEB CC(=O)N1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21 16139075 LSPJFJCBWSBWDR-JCMHNJIXSA-N 411.177 4.482 30 40 HIEB CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 16741460 WHUIRCFYBODYAC-LJQANCHMSA-N 408.410 4.148 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1 20149946 CGOZCAAYNTVHQV-JOCHJYFZSA-N 418.493 4.353 30 40 HIEB C=CCN1c2ccc(C(=O)NCc3ccc(C)cc3)cc2-c2ccccc2S1(=O)=O 33271911 PDTLJKNTVNPWGM-UHFFFAOYSA-N 418.518 4.287 30 40 HIEB COc1cc2c(cc1OC)-c1cc(-c3ccc(SC)cc3)c(C#N)c(=N)n1CC2 101344121 KRMYQVPTLNHKFQ-UHFFFAOYSA-N 403.507 4.468 30 40 HIEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2O)ccc1O 408731341 JWEZMPWVXZKQPG-YDZHTSKRSA-N 418.409 4.470 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 408731876 QIBUIZRQSJOCER-OAQYLSRUSA-N 415.474 4.408 30 40 HIEB CC(C)OC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1 409188506 ZTQKNOWYPDIODT-WQRHYEAKSA-N 414.458 4.048 30 40 HIEB Cc1ccc(Cn2cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)cc1 409408981 SIQPAMPLSRLSBV-CVKIWWORSA-N 409.489 4.139 30 40 HIEB COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 4682465 ZETTYGUKPUEPPM-DVCONVQISA-N 417.918 4.247 30 40 HIEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H]1CCOC1=O 6079133 RQODTOQPYWCBNJ-IBGZPJMESA-N 407.495 4.118 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccc(F)cc4)C3=O)n2)cc1 12412998 RFCZADKGBFWRRQ-MOHJPFBDSA-N 409.446 4.148 30 40 HIEB CCCCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 101462227 UGASTWFUFKMXSO-UHFFFAOYSA-N 423.561 4.189 30 40 HIEB O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)/C1=C(\O)c1ccc(Cl)cc1 102895227 RJJYYDACPDXHLY-LFVOPCPISA-N 409.825 4.261 30 40 HIEB CC/N=C1/S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)N1CC 408928714 DUOPBCWIYVAZAX-QSAFIDALSA-N 401.444 4.176 30 40 HIEB COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 542298845 QBOYMEYHZQVOSP-DLBZAZTESA-N 415.287 4.088 30 40 HIEB C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccccc2)C1 4837327 KZKWECNOANXDFR-QWFCFKBJSA-N 413.525 4.036 30 40 HIEB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238319 FUDRUXZGRQCMQT-OAHLLOKOSA-N 418.522 4.299 30 40 HIEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)cc1 5564189 FSMZRTZFLOVYRV-HOGKFDNTSA-N 406.526 4.149 30 40 HIEB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC#N 8112849 SHLDYZGDOUPPTA-WOJGMQOQSA-N 414.870 4.487 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 8827560 YOIUGFHYRTXMDK-HXUWFJFHSA-N 420.421 4.232 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 9244177 ICZQKROEEXZBFI-LJQANCHMSA-N 424.840 4.428 30 40 HIEB CN1/C(=C\C(=O)CSc2nnc(Cc3cccs3)n2C)C(C)(C)c2ccccc21 9635558 XXFUDTVQIZUAJA-UNOMPAQXSA-N 424.595 4.440 30 40 HIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cc(C)ccc21 32106618 XOWXSPNCPMECQE-QHCPKHFHSA-N 402.429 4.130 30 40 HIEB CCCCCCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O 34803915 CRTLLTFVYOUDFN-UHFFFAOYSA-N 402.405 4.469 30 40 HIEB COc1ccc(-c2c[n+](CC(=O)c3ccc(C)cc3)c3n2CCCCC3)cc1OC 41124474 SGLZIMIGWRENNR-UHFFFAOYSA-N 405.518 4.378 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)C1 72390545 UGDSIXANHVYUCF-PWAGRJGVSA-N 408.567 4.135 30 40 HIEB CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)s1 100004992 GVKDFJGAANLQET-YBFXNURJSA-N 406.920 4.305 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)o2)cc1Cl 100302832 VKBXHIYTVCVTQV-FGEFCQAVSA-N 406.869 4.295 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102864592 JAUFVBUHVILHTN-MRJHHRETSA-N 418.449 4.180 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 224370402 YKCJTTLCBBHUMH-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2646479 GXADLRJKLFHSND-QGZVFWFLSA-N 416.433 4.300 30 40 HIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O 4667416 QSFTXTBVQOPZLH-WEVVVXLNSA-N 418.287 4.154 30 40 HIEB C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 6361738 XCZWQERLSLEFAE-SQFISAMPSA-N 404.491 4.242 30 40 HIEB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N 8156999 IASCZLDMTXQBCE-LLVKDONJSA-N 415.569 4.318 30 40 HIEB C=C1C[C@]23CC[C@@H]4[C@](C)(CC[C@@H](O)[C@@]4(C)COC(=O)CCC(=O)O)[C@H]2CC[C@H]1C3 8617627 QRCWTENDAKYOOH-RXOZFGASSA-N 404.547 4.334 30 40 HIEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)Sc2ccccc21 24915149 KVBNPABQEMBQFI-CQSZACIVSA-N 405.527 4.068 30 40 HIEB CCCCC(F)(F)C(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21 82048910 BEVKTMCEJWZGBD-SMPHTAIGSA-N 406.425 4.114 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 100439802 PEKIGJNGQCCZOM-NHFXJNLRSA-N 400.390 4.221 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 408731688 OXLIGIKEVXVKMW-OAQYLSRUSA-N 415.474 4.408 30 40 HIEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OCC(=O)O)c2)C(=O)N1CC 408909215 GPCYHAWMVYODSL-NMSSZPRHSA-N 410.495 4.336 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409073960 OLZBECFJRHYQLW-VCHYOVAHSA-N 413.455 4.233 30 40 HIEB CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 409079368 JLZHHBIXXOOIIR-ZSOIEALJSA-N 412.250 4.077 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409097796 HKEQJYZHEKBMJV-VCHYOVAHSA-N 413.455 4.233 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 409193404 KBOYKUAWBMCRPO-WOJGMQOQSA-N 412.873 4.179 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1F 4814853 DHERYVZCHRWEOX-UHFFFAOYSA-N 413.474 4.262 30 40 HIEB C[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 4898860 YJRGBBKBPXHOLB-QMNVRMOGSA-N 402.317 4.303 30 40 HIEB N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1 5938489 JIAOUJFAPSZPSF-NRFANRHFSA-N 403.869 4.191 30 40 HIEB N#CCn1c(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O 7003431 PXSKXWNXAJWELN-UHFFFAOYSA-N 408.483 4.475 30 40 HIEB COc1cc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1OCCC(C)C 9262327 SKSFWCFEOADYPQ-IERDGZPVSA-N 404.470 4.151 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1F)n1nc(SCc3ccccn3)nc1N2 18198883 YOTAFCHIOLBLPT-IBGZPJMESA-N 407.474 4.127 30 40 HIEB Cc1nc2sc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c(C)c2c(=O)[nH]1 22413676 PWCHOSKDOTVSKC-UHFFFAOYSA-N 415.474 4.497 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 97105062 IMRLHTULDNGDLI-REWPJTCUSA-N 410.466 4.032 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 5491266 LMXPZIHWAYOCLK-WMLDXEAASA-N 403.887 4.159 30 40 HIEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C/NCc3cccs3)S2(=O)=O)cc1 20131972 UHHUGMXFNQCIKH-STZFKDTASA-N 424.547 4.220 30 40 HIEB CCCN1CCc2c(sc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c23)C1 33581950 JQGCHMGLYPLXHF-YSMPRRRNSA-N 420.542 4.048 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804396 DGCUMNFNVJEZKO-LFVOPCPISA-N 424.840 4.271 30 40 HIEB C=CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 222897517 QAIFXWJAWIYWHX-JWGURIENSA-N 418.449 4.263 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408964549 DJWPINCYQSPINJ-MFKUBSTISA-N 418.522 4.263 30 40 HIEB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1Cl 409176818 YPUSYUZFCKTZPK-CAOOACKPSA-N 411.870 4.195 30 40 HIEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)cc1Cl 1017253 NQVHPKPOXHFBBN-JJXNMMKVSA-N 405.882 4.378 30 40 HIEB C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 2113617 CGPAWSQWLCQJTQ-NRFANRHFSA-N 420.494 4.269 30 40 HIEB Cc1nn(C[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1Br 2791693 KSNMVWMMIOULDL-SNVBAGLBSA-N 421.364 4.349 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc21 5071494 XLFZVFISVVRDJV-HNNXBMFYSA-N 406.511 4.078 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 5212679 QUSRVYAKTFVPAZ-XEZPLFJOSA-N 419.616 4.294 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 5212681 QUSRVYAKTFVPAZ-WWGRRREGSA-N 419.616 4.294 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9217426 DGXBUMZQWPHTHH-HSZRJFAPSA-N 417.538 4.352 30 40 HIEB CSCCc1[nH]c(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)c(C#N)c1C 15082110 ZMKHABXJONLWNT-UHFFFAOYSA-N 405.593 4.061 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 20150147 BMZKTYYVPOLHGR-FQEVSTJZSA-N 424.884 4.226 30 40 HIEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 20394658 KKLOEHIWPXZXEA-CEXWTWQISA-N 409.276 4.006 30 40 HIEB Cn1c(CCC(=O)OCc2ccc(-c3ccccc3C#N)cc2)nc(=O)c2ccccc21 22415905 ITZLQMVZODGUQC-UHFFFAOYSA-N 423.472 4.148 30 40 HIEB CCc1cc(N(C)Cc2nc(-c3cccnc3)no2)n2c(nc3ccccc32)c1C#N 79017550 OIBIYNYFHBVLFA-UHFFFAOYSA-N 409.453 4.003 30 40 HIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218522289 CBVJHZWEWQVOQD-PCCBWWKXSA-N 403.931 4.389 30 40 HIEB C=CCN(Cc1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224480867 UPLZOFOBXGLECT-UHFFFAOYSA-N 420.962 4.103 30 40 HIEB CC(C)c1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N 1104291 SIVCAUIKASCNMM-UHFFFAOYSA-N 413.481 4.038 30 40 HIEB COc1ccc2nc(NC(=O)C(=O)[C@@H](C#N)c3ccc(Cl)c(Cl)c3)sc2c1 1617380 ZHAWBQJIDJILLG-NSHDSACASA-N 420.277 4.427 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 4102876 PYQWDQPEVCAOFG-SFHVURJKSA-N 422.462 4.392 30 40 HIEB CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3C#N)c2=O)cc1 4882521 AQRJMQUMRMANNZ-UHFFFAOYSA-N 415.518 4.313 30 40 HIEB O=C1C[C@H](/C(O)=N/c2nnc(COc3ccc(Cl)cc3)s2)CN1C1CCCC1 4975921 BWQGTTRTIQSVAH-LBPRGKRZSA-N 420.922 4.150 30 40 HIEB C[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 9272242 MVEYBBWMMSBPHV-UCVXVQGBSA-N 420.307 4.442 30 40 HIEB COc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nccn2C)cc(OC)c1OC 12619667 GZBWDYGSFWHOPI-WQRHYEAKSA-N 417.465 4.351 30 40 HIEB C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12983372 OROPTHPNCRPOAW-OAHLLOKOSA-N 423.538 4.421 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1C 102804879 VXTZORNVMFNAQG-MRJHHRETSA-N 418.449 4.235 30 40 HIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 5051290 WFNHNYCJEHMOFY-VXNXHJTFSA-N 422.481 4.302 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1 6476869 FCIHDHYFEDOWOL-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 6549982 MAEJTLKWOZUTQF-FYJGNVAPSA-N 404.875 4.311 30 40 HIEB C=CCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 9609689 GNNHLZPMDTYZHH-UHFFFAOYSA-N 409.906 4.053 30 40 HIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC 12323405 CPKRKWKPOREKEX-ADLMAVQZSA-N 424.482 4.128 30 40 HIEB Cc1sc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C#N)c1C 12493950 NFWIVYWXHVISCA-UHFFFAOYSA-N 420.523 4.096 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCCc3ccc(O)cc3)c(=O)oc2c1 12897062 JQWUXIVBIBSOCG-UHFFFAOYSA-N 421.493 4.053 30 40 HIEB biogenic O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1O 16672967 YTZBZUPUTFFVTJ-ZREIRUPISA-N 411.464 4.092 30 40 HIEB Cc1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1C 19852316 STCQLIFPVWVPNJ-UHFFFAOYSA-N 419.535 4.483 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102802666 QYZXACNRGFYVIE-JBCNATCCSA-N 403.409 4.461 30 40 HIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785422 KEXVTBRURGAWAD-UHFFFAOYSA-N 400.378 4.303 30 40 HIEB COc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1OC 408752816 KDKOYUKTDPWDRF-LZYBPNLTSA-N 419.846 4.157 30 40 HIEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 408968457 YZOBHUBAXHFHGM-FSJBWODESA-N 417.918 4.154 30 40 HIEB NC(=S)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 1098371 GAULDLHEKLKSQL-SSDVNMTOSA-N 414.328 4.348 30 40 HIEB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 2083658 MYADHEDVFULCTL-QHCPKHFHSA-N 403.478 4.277 30 40 HIEB N#CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Br)cc2)NC1=O 2773344 CWOMRBWPPGEFJD-WJDWOHSUSA-N 414.284 4.243 30 40 HIEB N#CCCN(C(=O)CSc1nnc(NC2CCCCC2)s1)c1ccccc1F 3373112 UNXYAKHTINVSKN-UHFFFAOYSA-N 419.551 4.461 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCCCC2 3427676 AFSINBQZLDIOEZ-UHFFFAOYSA-N 400.525 4.234 30 40 HIEB CCOc1ccc(C(=O)/C(=N\Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 4491435 HOZQWEJTACUWOR-MEFGMAGPSA-N 413.433 4.286 30 40 HIEB C/C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1c[nH]c2ccccc12 4536233 HOBXQDZIPZFMNJ-QRQIAZFYSA-N 418.549 4.170 30 40 HIEB CCCCC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N 13691213 HBCIIQANTYQSNS-AWEZNQCLSA-N 415.559 4.308 30 40 HIEB COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC 19862767 PGWBKJVMKSZZTR-LKZVIGDNSA-N 402.450 4.419 30 40 HIEB O=C1C(=O)N(CCc2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 104134770 PYJWPROGNOWYIL-MOBKVPTQSA-N 401.437 4.490 30 40 HIEB Cc1ccc(COc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)c(C)c1 225843746 INEGSMQXIANGNJ-UHFFFAOYSA-N 411.303 4.344 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)nc1 408750352 LSLDSCVWLCHOQH-KSEXSDGBSA-N 416.397 4.347 30 40 HIEB O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1 409044033 GJLQQWOPPDVCAH-AQHIEDMUSA-N 416.297 4.299 30 40 HIEB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 849100 FDHVPWGXQWGQEY-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3cccc(Cl)c3)o2)cnn1C 2798141 MTAZYDJOCJXBOX-FOKLQQMPSA-N 400.866 4.136 30 40 HIEB O=[N+]([O-])c1cccc(N/N=C/c2cccc(/C=N/Nc3cccc([N+](=O)[O-])c3)c2)c1 4697711 FASGHRCBFKADDI-JFMUQQRKSA-N 404.386 4.395 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)n1nc(SCc3ccccc3)nc1N2 4814187 OKKMYSJJUXSBOK-FQEVSTJZSA-N 404.495 4.298 30 40 HIEB COCC/N=C1\Sc2nc3cc4c(cc3cc2CN1CCc1ccccc1)OCO4 4858508 PJGZHMKVYULYFL-VHXPQNKSSA-N 421.522 4.116 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1OC 5501571 SVZJAKQGSLECBM-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129888 OAXWGDNYDNGVFC-BUXKBTBVSA-N 404.561 4.069 30 40 HIEB N#Cc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 7214302 XCRYZIZLVBGOIO-NRFANRHFSA-N 401.491 4.150 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 9483183 UJYYKHGLJWINOJ-XMMPIXPASA-N 403.526 4.357 30 40 HIEB C=CCN(C(=O)/C=C/c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 12750678 AGPPZNGMQUYBOD-NTEUORMPSA-N 424.547 4.446 30 40 HIEB COc1ccc(CCN(C)CCC[C@@H](C#N)c2ccc(OC)c(OC)c2)cc1OC 22057892 FODDOFHUTVJMSE-FQEVSTJZSA-N 412.530 4.283 30 40 HIEB in-vitro C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 59566480 UBYLKWWKIBTRDJ-PXJFTPKESA-N 420.494 4.424 30 40 HIEB N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Br)cc1 62720686 PAFUMMSWQZFNRU-CQSZACIVSA-N 422.691 4.084 30 40 HIEB O=C(n1nc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 95682130 WRCJIQRRIPCXKB-UHFFFAOYSA-N 400.094 4.394 30 40 HIEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)c1 100628239 UZXDHVPZIYSCSZ-AEKNLGIRSA-N 410.524 4.195 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccccc2OC)cc1)S(=O)(=O)c1ccccc1 224370630 XAMOCBRIGMWXQB-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225073524 KEFOFRYKHHZYPL-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2I)S1 408550598 IIJUIXRPUJHSLC-GDNBJRDFSA-N 420.275 4.491 30 40 HIEB CCCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 408947266 ZYPFHRRKYMVNMN-GRSHGNNSSA-N 408.798 4.400 30 40 HIEB N#Cc1ccc(Nc2nc([C@H]3CCCN(Cc4cccc5[nH]ccc45)C3)cs2)cn1 585294769 KACUMXFJECFJEH-KRWDZBQOSA-N 414.538 5.014 30 40 HIEB CCN/C(S)=N/N=C\c1ccc(OCc2ccc(Br)cc2)c(OC)c1 6132250 YPQWGCJDTKHDTH-NHDPSOOVSA-N 422.348 4.266 30 40 HIEB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7853854 SHVAQWQZYZLFCR-JTQLQIEISA-N 419.601 4.434 30 40 HIEB CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccccc2OC)cc1 9911534 KDVBNQDXNFGZPX-UHFFFAOYSA-N 422.506 4.361 30 40 HIEB COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 12466163 ZXSQYSLSXKOQFO-OVVQPSECSA-N 413.521 4.425 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(C)c1 13805417 GWUZXGPEYUGLRH-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB CC1=NN(c2ncc(-c3ccccc3O)s2)C(=O)/C1=N\Nc1cccc(C)c1C 13943645 GZGKLGZNXMLCLM-CLCOLTQESA-N 405.483 4.323 30 40 HIEB CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 21721927 AIKTWWPDAXQCNQ-HSZRJFAPSA-N 407.514 4.422 30 40 HIEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc(Br)c1O 137892909 QYQGDMLNPRUDLL-QRIYPMNQSA-N 411.302 4.038 30 40 HIEB Cc1cc(N/N=C2\C(=O)N(C3CSC3)c3ccccc32)ccc1Br 223717841 IHHXSVNDHLWWKC-FXBPSFAMSA-N 402.317 4.036 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 223925027 IPRFAQFEGOCZID-UHFFFAOYSA-N 406.507 4.143 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 6005330 SEXPIJVLDMLQSS-SJCJKPOMSA-N 411.527 4.234 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccncc4)nc3c1[C@@H]2c1ccccc1 9304782 XIBKFZBGAVEEIZ-LJQANCHMSA-N 423.476 4.354 30 40 HIEB C=CCc1cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc(OC)c1OC 12742266 CFKUFKBKOVACJN-UHFFFAOYSA-N 423.509 4.176 30 40 HIEB COc1ccc(/C=N/[C@@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 17860194 NYSMPTJQTBPEOE-AJPHYDNBSA-N 404.466 4.260 30 40 HIEB COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)c1 32501360 OKLPLJIKGMEQAL-YVNNLAQVSA-N 414.461 4.367 30 40 HIEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cccc1OC 100765934 UFKMNUOMKJMQEI-WOJBJXKFSA-N 409.526 4.283 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 102581787 NUZQLUPBSUQMIH-SELCWUDQSA-N 414.845 4.470 30 40 HIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)s1 138280436 ALMXJMVKDMJWNK-USPXZXIHSA-N 403.529 4.314 30 40 HIEB COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C(=O)O)o1 409385061 IMSGLRBNJHKLKH-FSJBWODESA-N 408.410 4.274 30 40 HIEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1O 409411187 FKKNQYGAHLAGTP-UHFFFAOYSA-N 408.527 4.493 30 40 HIEB COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1F 5163145 UURIJICHJNUPGA-YDZHTSKRSA-N 409.373 4.408 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 5887497 YJHYRFXJQBQPBB-UHFFFAOYSA-N 401.451 4.130 30 40 HIEB C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccccc1C#N 6346464 CVCDKPTXDRANSA-QGZVFWFLSA-N 400.434 4.321 30 40 HIEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccc(Cl)c(Cl)c1 6926515 FEIGJIKMULJXOS-UHFFFAOYSA-O 405.280 4.473 30 40 HIEB CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccccc3)c2C1 19889344 UVQRHVPNXOTCKL-UHFFFAOYSA-N 414.534 4.339 30 40 HIEB C=C(C)CN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 40144842 NKCRKCRFVQQIJJ-UHFFFAOYSA-N 405.292 4.262 30 40 HIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107465235 IUXQGNPPYUKQIR-AYMQEEERSA-N 408.340 4.152 30 40 HIEB COC(=O)c1cccc(CSc2nc(N)c(C#N)c(Cc3ccc(Cl)cc3)n2)c1 223669305 IDLXUGQMKVFQCQ-UHFFFAOYSA-N 424.913 4.254 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@@H]4C3=O)[C@@H]3C[C@H]53)o2)cc1Cl 226661935 VKBXHIYTVCVTQV-ZLLZSUBSSA-N 406.869 4.295 30 40 HIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1OC 2446218 SVVAUVQKAWSCKC-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1 3542728 QTFUXPBFACDKHL-UHFFFAOYSA-N 419.487 4.136 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N3)cc1 4279868 GUGOUPIUCXFRNT-OAQYLSRUSA-N 416.481 4.317 30 40 HIEB S=C(NCc1ccccc1)N/N=C/c1ccc(OCCOc2ccccc2)cc1 6927390 CRSNXISKHSIFMT-XIEYBQDHSA-N 405.523 4.143 30 40 HIEB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(C#N)cc3)nc2n1 14908348 GKAUGBYZQCYKIR-UHFFFAOYSA-N 414.494 4.157 30 40 HIEB CCCCOc1ccc2ccccc2c1/C=N\Nc1ncc(F)c(N2CCOCC2)n1 15009462 QOLVUTJAILOCSZ-YSMPRRRNSA-N 423.492 4.230 30 40 HIEB COc1ccccc1N/C(=N\S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 16719036 UGSOGAISZVSRCH-UHFFFAOYSA-N 407.706 4.265 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(COc3cccc(Cl)c3)o2)cc1 17083064 MXLFMMUJPDWDLQ-CIAFOILYSA-N 404.875 4.133 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 18158569 QWWMHXGQMRSADX-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38855719 WFIWBICZJRRGLW-GOSISDBHSA-N 411.933 4.107 30 40 HIEB C/N=C1/S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)N1C 408930402 WOEKKRHBUDYYKO-KDUMPSMXSA-N 418.522 4.120 30 40 HIEB C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Br 409249728 VKPCAACKXUSJDC-SFQUDFHCSA-N 413.271 4.107 30 40 HIEB COc1cccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c1 1531122624 UDOVJKBCIJBLMW-UUYOSTAYSA-N 414.303 4.347 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)n1nc(SCc3ccccc3)nc1N2 4814186 OKKMYSJJUXSBOK-HXUWFJFHSA-N 404.495 4.298 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 6605991 KLOJDLOOWVEBPK-MRXNPFEDSA-N 402.903 4.336 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)CCC(C)C)nnc1-c1ccc(OC)cc1 8505207 UOUHQXKMVMGVOD-INIZCTEOSA-N 402.564 4.173 30 40 HIEB O=C1/C(=N/Nc2ccccc2Cl)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 8958845 VIRHHTWWYXAHHA-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB COc1cc(/C=N/Nc2nn3cnnc3c3ccccc23)ccc1OCc1ccccc1 11859664 VURNCZBHAUVBEM-AFUMVMLFSA-N 424.464 4.311 30 40 HIEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)nc1C 12795265 LGXGHXSDKOOPJS-LBPRGKRZSA-N 418.316 4.346 30 40 HIEB C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N\N=C/c1ccco1 13634310 VPSUPNVJUMMGOX-JLXHZPSVSA-N 418.316 4.105 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102880986 QZASJCFAWQUTBM-JXQDGVRSSA-N 411.885 4.249 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218385766 LTEYZBROVCCMIC-ZIFCJYIRSA-N 424.305 4.006 30 40 HIEB N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(c2ncnc4ccsc24)CC3)cc1 585100853 ZAUPEKFQKJDLIH-QHCPKHFHSA-N 417.538 4.228 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3343480 GQENWIOWHSLFHC-UHFFFAOYSA-N 421.507 4.250 30 40 HIEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1ccc(Cl)cc1 5517479 CMUIEXKKCCLQKZ-AWQFTUOYSA-N 406.916 4.122 30 40 HIEB CCOC(=O)c1cnccc1C[C@@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 5822835 OLPGJVHTFSXMJW-AREMUKBSSA-N 423.472 4.347 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 13688768 CCMSKUBWMCVXMS-LTUQMTLXSA-N 405.882 4.459 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1ccc(F)cc1 19787845 PZUISHGBBWKTNB-BXSCNJMXSA-N 422.500 4.145 30 40 HIEB C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@H]1CCc2ccccc21 89286302 IRWUUSSILSCYFM-NRFANRHFSA-N 416.550 4.476 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1)CCCC2 663172 OSPGMPQHMPLAQO-UHFFFAOYSA-N 407.417 4.461 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)SC1=S 3570248 ZUWMGJFOMZZULA-WJDWOHSUSA-N 417.533 4.363 30 40 HIEB C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(Br)cc2)S1)c1ccccc1 5214329 TZBFKCQJZQMBGZ-SVZNOHIVSA-N 402.317 4.003 30 40 HIEB COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 5348632 JTQBRGPXOSNTLD-FBRGJASNSA-N 407.499 4.023 30 40 HIEB COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1OC 8820737 AEWVTJVTHIHIPO-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)c1 12250977 AZHFPQHWRVDBLV-UHFFFAOYSA-N 407.451 4.121 30 40 HIEB C=CCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccccc1 12856765 LALFOLQHJUPYQY-UHFFFAOYSA-N 409.902 4.313 30 40 HIEB COc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1OC 13779089 YDVKHHZWVFYFFG-ODLFYWEKSA-N 412.438 4.041 30 40 HIEB C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 14171974 WHZWLKKPRNGVJQ-UHFFFAOYSA-N 410.882 4.374 30 40 HIEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20673749 TZGFZURDNXPQRF-SFHVURJKSA-N 421.570 4.336 30 40 HIEB COc1ccccc1CN/N=C/c1cc(Br)c(O)c(Br)c1 20761287 QLNLRFSXRFRUEY-QGMBQPNBSA-N 414.097 4.050 30 40 HIEB N#Cc1c(-c2ccc(Cl)cc2)nc(SCCC(=O)Nc2ccccc2)[nH]c1=O 31773902 MIUSIAPXGFWVDB-UHFFFAOYSA-N 410.886 4.083 30 40 HIEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 38654319 HKHITKAKOVVABA-UHFFFAOYSA-N 404.901 4.293 30 40 HIEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248923 LGDJCJDJIAMRME-BHGWPJFGSA-N 421.840 4.076 30 40 HIEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1C#N 59640716 WIOGSOLRUSABMS-WYMPLXKRSA-N 418.457 4.170 30 40 HIEB CC(C)c1ccc([C@H]2NC(=O)C(=O)/C2=C(/O)c2ccc(Br)cc2)cc1 101062551 PCVKLNPVLMKGHP-GROYHEBESA-N 400.272 4.282 30 40 HIEB Cc1ccc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc1 408752979 MSVPSOMLRFUBTK-XNTDXEJSSA-N 420.275 4.491 30 40 HIEB N#C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 505959927 KRRAJIJBHNMRPY-INIZCTEOSA-N 401.253 4.357 30 40 HIEB CCCCCCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138261 NODVVOVHBVTEEL-UHFFFAOYSA-N 411.414 4.415 30 40 HIEB COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC(C)C 5489560 UYNRCXSRYUOQMI-CQSZACIVSA-N 422.909 4.024 30 40 HIEB C=CCn1c(SCC(=O)N2CCCCCC2)nc2scc(C3CC3)c2c1=O 7062385 RJOHLUUADNJAMX-UHFFFAOYSA-N 403.573 4.016 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccc(Cl)cc2c1=O 8922438 INVLWWDNPRGBRX-CYBMUJFWSA-N 424.913 4.227 30 40 HIEB O=C1CCCC2=C1[C@@H](c1cc(Cl)ccc1O)c1c([nH]n(-c3ccccc3)c1=O)N2 18195869 SJBJUHKQTOIASJ-GOSISDBHSA-N 407.857 4.089 30 40 HIEB CCCNC(=O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21722525 CPODYEVDAJITGO-XMMPIXPASA-N 421.497 4.093 30 40 HIEB N#Cc1ccc(CN(CC(=O)NCCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 40158291 XBVNJOVQHBEYFM-UHFFFAOYSA-N 419.475 4.198 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 100439845 DZXYUBRZKZNJAO-NHFXJNLRSA-N 400.390 4.221 30 40 HIEB C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845202 OVELHRYYTIVPIC-HNNXBMFYSA-N 405.325 4.255 30 40 HIEB COc1cc(-c2c(-c3ccccc3)cnc(N)c2C#N)cc(Br)c1OC 408981181 VBPNOAREISDWOF-UHFFFAOYSA-N 410.271 4.649 30 40 HIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1O 409295473 OQXNDHHXHLLEGE-UHFFFAOYSA-N 407.470 4.049 30 40 HIEB C=CCn1c(SCC(=O)N2CCCCC2)nc2scc(-c3ccco3)c2c1=O 1465483 ASKOPSLZAJNYPN-UHFFFAOYSA-N 415.540 4.009 30 40 HIEB CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 4611590 JSGSBCOYRBKSDG-QGZVFWFLSA-N 401.919 4.311 30 40 HIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)n1 4623837 XZDMQSHRDJVPFI-HXUWFJFHSA-N 415.405 4.081 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130891 RBGVQGZNNOUQAA-IZDJOXEWSA-N 418.588 4.458 30 40 HIEB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1[N+](=O)[O-] 8277491 PFVLQZUKSSMBPV-CXUHLZMHSA-N 403.847 4.457 30 40 HIEB COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)cc1 13690910 DKVSXJVOQRXQTL-QRVIBDJDSA-N 414.461 4.101 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CC2)C1 19015679 OVAKJQBEWDAQTJ-XMMPIXPASA-N 408.567 4.279 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19500203 BEGHUIUIUKKGCN-DEOSSOPVSA-N 419.569 4.200 30 40 HIEB Cc1cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(O)c([N+](=O)[O-])c1 19849882 HCTGFCRRKPUYBR-ZVBGSRNCSA-N 412.324 4.067 30 40 HIEB CCOC(=O)[C@H]1CSCCN1C/C(O)=N/c1c(Cl)cc(Cl)cc1Cl 31578641 ZLPZGZKMQGHIKW-GFCCVEGCSA-N 411.738 4.215 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(I)c1 32905211 DCIRFUZEOOGVMZ-UHFFFAOYSA-N 424.241 4.338 30 40 HIEB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O 33575621 GORNQSBZZYDJBC-MHWRWJLKSA-N 422.510 4.228 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c1 102803664 KCVOQTAHJOFIBZ-YDJIHCHBSA-N 420.852 4.370 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 105509646 KTDDSVMASCTATP-WEZLJLAESA-N 420.896 4.450 30 40 HIEB CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 408730595 ROSSSJGUKWXARR-KOEQRZSOSA-N 419.550 4.250 30 40 HIEB O=C(O)COc1ccc(/C=N\c2ccc(I)cc2)cc1Cl 408857475 OLHCDQUFOJHDJQ-LSCVHKIXSA-N 415.614 4.159 30 40 HIEB C=CCOc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409196113 NHTIPJKRYOAMPP-SFQUDFHCSA-N 413.271 4.107 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 837273 XREZHCRBWZQGBU-OALUTQOASA-N 407.271 4.235 30 40 HIEB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C#N)c1C 2793449 GPJMNUBZZPJAFJ-RMKNXTFCSA-N 406.410 4.358 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 6196419 LBNZHPCQLFKZJB-NRFANRHFSA-N 409.482 4.009 30 40 HIEB Cc1ccccc1/C=C/C(=O)c1cc(Br)cc(Br)c(=O)c1O 8397924 IAKJUULSBLYLQT-VOTSOKGWSA-N 424.088 4.482 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)O)cc1 20081129 HFGPCUCMZRNFHX-IBGZPJMESA-N 413.857 4.092 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c1OC 20611224 JSRUEBJBIBOHNI-PJMHOZITSA-N 409.482 4.400 30 40 HIEB biogenic COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)cc1 20648817 YIVYUYALIDTRJV-JJFYIABZSA-N 400.434 4.059 30 40 HIEB CC(C)c1nnc(S[C@H](C)C(=O)Nc2sccc2C#N)n1Cc1ccco1 22133461 UYKILXGGSHYLCC-GFCCVEGCSA-N 401.517 4.095 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@@H]12 61999365 XQXNTSRSLXYYTI-HROMDODWSA-N 408.586 4.431 30 40 HIEB biogenic CCOc1cc(/C=N/n2cnnc2)c(Br)cc1OCc1ccc(F)cc1 408852464 LEIMBRLPCWXKIG-NUGSKGIGSA-N 419.254 4.040 30 40 HIEB CC(=O)/C(=N\Nc1ccccc1)Sc1nc2ccccc2c(=O)n1-c1ccccc1 4558030 SVUPNYWOBJQYDO-YYADALCUSA-N 414.490 4.492 30 40 HIEB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC 5866916 QOQYZHMTHWYCBQ-LJQANCHMSA-N 400.862 4.258 30 40 HIEB C=C1C[C@]23CC[C@@H]4[C@@](C)(CC[C@H](O)[C@@]4(C)COC(=O)CCC(=O)O)[C@H]2CC[C@H]1C3 8617626 QRCWTENDAKYOOH-IWWZHXBWSA-N 404.547 4.334 30 40 HIEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl 9009290 VHLUYLQYNICPJF-UHFFFAOYSA-N 409.298 4.335 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 9085997 HZVHCVRUAVFONP-GOSISDBHSA-N 417.446 4.376 30 40 HIEB C=CCNc1nc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cs1 9713673 GGACDXXWLISUPL-UHFFFAOYSA-N 419.812 4.209 30 40 HIEB N#Cc1ccc(NC(=O)C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)cc1 15953171 CRAHXUWTPCUVKW-UHFFFAOYSA-O 413.423 4.184 30 40 HIEB Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2Cl)CC1 19771423 AFTWKQIYGDIQGK-PCLIKHOPSA-N 407.949 4.294 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 19926886 XHQIUWIFGGRLJP-QGZVFWFLSA-N 423.296 4.116 30 40 HIEB Cc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2CSc2ccccn2)c1 26966919 PXBPSKWHHISLQB-DAFNUICNSA-N 401.495 4.353 30 40 HIEB CCCNc1c(/N=C(\O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 28049001 URPREMMUDTYHTO-OAHLLOKOSA-N 405.454 4.256 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1 33141808 XGSQNLZXBLTIRV-UHFFFAOYSA-N 411.508 4.006 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1O 96006238 BPIWXOGOOOPINH-IBGZPJMESA-N 416.433 4.238 30 40 HIEB COCc1cc(C)nc(NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1C#N 252426657 IUEPTURERJZYEF-UHFFFAOYSA-N 424.844 4.466 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)SC1=S 408819769 RTJLXWRPROOUJN-PDGQHHTCSA-N 412.536 4.268 30 40 HIEB CCOc1ccc(/N=C2/S[C@H](Cc3ccc(OC)cc3OC)C(=O)N2CC)cc1 409145901 QNGKMOALNVBQDJ-QAHCAUCSSA-N 414.527 4.297 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccccc2Cl)cc1 409405479 NYKIABUGZIZMNI-SNHGZMDHSA-N 406.869 4.060 30 40 HIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O 2130792 RGAFQLCOTKJJQF-PWKYRQDESA-N 406.434 4.341 30 40 HIEB biogenic C=CCn1c(SCC(=O)NC)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5776447 ZKPMEKVQYQPSGQ-AWEZNQCLSA-N 404.605 4.182 30 40 HIEB COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)cc1OC 6672274 YMRDTLBKHSWJQG-FBHDLOMBSA-N 417.417 4.243 30 40 HIEB NC(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2cccc(Cl)c2)S1 9763348 HQMNCDJVVYRIBV-JJXNMMKVSA-N 422.337 4.043 30 40 HIEB CSc1nc(C2CC2)cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C#N 10711505 LCOKSEIOIWXINR-UHFFFAOYSA-N 406.463 4.324 30 40 HIEB O=C(C[C@@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 12786593 HJMNLPXCDOVYMG-SFHVURJKSA-N 418.478 4.122 30 40 HIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 36427633 MDQNTWSPJZSOSR-YWZLYKJASA-N 424.501 4.044 30 40 HIEB N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1ncccn1 72306445 FXLOYWVZOOMPNR-UHFFFAOYSA-N 420.416 4.433 30 40 HIEB CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2)c(C#N)c1-c1ccccc1 409120418 UHDZUDLIEDVSPE-UHFFFAOYSA-N 412.492 4.264 30 40 HIEB COc1cc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc(OC)c1 1354400 NMTFGRKIWGGTIB-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1OC 4919295 FFSVXIKTDLQMPE-KNQAVFIVSA-N 410.466 4.032 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(N(CC)CC)cc1 5926193 VZIIYEIHKIIQMX-SFHVURJKSA-N 424.570 4.293 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)n1 7653458 UFWJXKRQQRFELL-LLVKDONJSA-N 408.863 4.492 30 40 HIEB COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1 13727559 XPHXIMRGKKEYTK-IBGZPJMESA-N 424.840 4.115 30 40 HIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccnn1Cc1ccccc1Cl 20015954 XWGNVDZLCLPBHC-UHFFFAOYSA-N 405.845 4.401 30 40 HIEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2O)ccc1O 38175512 RDNIMCRFFFXAKI-WSDLNYQXSA-N 404.382 4.080 30 40 HIEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N 2082487 PBVSWYLPQCWQNF-UHFFFAOYSA-N 407.835 4.307 30 40 HIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4ccccc4)nn32)cc1O 4949388 VSKWZBJPVJLOBI-NRFANRHFSA-N 416.481 4.317 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 7990977 LPDPASHDSPLHRX-HNNXBMFYSA-N 417.918 4.096 30 40 HIEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(CC#N)cc1 12906459 FKFWYVRMRCIXDP-UHFFFAOYSA-N 424.522 4.255 30 40 HIEB N#Cc1ccccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 33361005 XXAVRKKCERIYQP-UHFFFAOYSA-N 406.511 4.066 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 33850036 YLKFXGYFEPIHCV-FSJBWODESA-N 405.951 4.444 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 36395697 SNZVZOJSEAEJPA-IBGZPJMESA-N 415.518 4.034 30 40 HIEB N#CCc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 59401492 WHOLGJMPEOEPCR-UHFFFAOYSA-N 424.548 4.323 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 408534012 SAPVJQZUNWFAHO-UYRXBGFRSA-N 408.479 4.235 30 40 HIEB C#CCOc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409010462 FBWYNYMWOSXWKW-LKBVRNOZSA-N 424.316 4.305 30 40 HIEB CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1cc(Cl)ccc1C#N 6880974 YXVMTEPCVXKKGA-UHFFFAOYSA-N 419.312 4.073 30 40 HIEB CCCCCOc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)cc1 9013121 KBCWUIHMSFPJLJ-ZVHZXABRSA-N 404.470 4.343 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)c2ccc(Cl)s2)n(Cc2ccco2)c1C 13108164 RSKPDCHNOJFWNZ-UHFFFAOYSA-N 417.874 4.128 30 40 HIEB COc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CCC1)[C@H]3c1ccccc1 13575495 CSYFNZORJONEHW-HXUWFJFHSA-N 424.460 4.331 30 40 HIEB CCN(CC)c1ccc(/C=C2/S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 14921211 QFEVRRWTBGDKIH-QTLAEQSKSA-N 423.498 4.035 30 40 HIEB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(Cc1ccc(C#CC(C)(C)O)cc1)C2 19080867 XTSYPLRYYGDBCB-SANMLTNESA-N 419.565 4.171 30 40 HIEB C=CCc1ccc(OCC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c(OC)c1 40134795 WOKGLGMQVCYIKI-RUZDIDTESA-N 402.494 4.446 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 102521564 VMDQPSJCZRBIFJ-GHNGSUTGSA-N 418.946 4.165 30 40 HIEB N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCc2c[nH]c3ccccc23)n1 542960511 BZPRCZKIKDKOJS-UHFFFAOYSA-N 404.861 4.243 30 40 HIEB O=C1Oc2ccccc2C(=O)/C1=C\NCCc1nc(-c2ccc(Cl)cc2)cs1 1547201045 RMAXOFRKGGRGPE-LFIBNONCSA-N 410.882 4.281 30 40 HIEB N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)OCc1ccccc1 662209 ZXQWLUQGDWFWQT-UHFFFAOYSA-N 404.447 4.184 30 40 HIEB aggregator COc1cc(/C=C/C(=O)Nc2ccc(C)cc2Br)ccc1OCC#N 3353797 QKTQXNZAJIHBTN-VMPITWQZSA-N 401.260 4.320 30 40 HIEB COC(=O)c1ccccc1/N=C(\C)c1c(C)nn(-c2nc3ccccc3s2)c1O 5721394 AZEBMMZXNYMZTC-WSDLNYQXSA-N 406.467 4.423 30 40 HIEB CCCCCCCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C 8396627 XTXQAZVLRHJSLG-UHFFFAOYSA-N 405.587 4.190 30 40 HIEB COc1ccc([C@H]2C3=C(CCCC3=O)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 9252773 URECJXNMHTYUAH-FQEVSTJZSA-N 424.460 4.331 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1OC 9289956 DMSXOMVREAFAAG-UHFFFAOYSA-N 422.510 4.073 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2Br)c(C#N)c1C 13955548 VERXXNXOQUIFQJ-UHFFFAOYSA-N 420.332 4.425 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C2CCC2)CC1 72345253 RPISOPFFXUWTMT-UHFFFAOYSA-N 417.553 4.002 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218382789 GDWCWRWHYGOYFG-LNLFQRSKSA-N 424.305 4.006 30 40 HIEB C=CCOC(=O)c1cc(Br)c(OC(=O)c2ccc(OC)cc2)c(OC)c1 226306002 CBJJYNMTUMDUIY-UHFFFAOYSA-N 421.243 4.028 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC 884534 BNLFMOABZMINGT-MAVBTGMRSA-N 411.527 4.292 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCCCC)cc1 2502024 QEKTYDVPVXQOOD-HXUWFJFHSA-N 414.527 4.245 30 40 HIEB O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccc(Cl)cc1Cl 3658923 HLGBMFXQMYTHIK-PQBRBNAQSA-N 421.265 4.496 30 40 HIEB COc1ccc(/C=N/Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 8450156 ZOXCZAJNSRRCKH-OEAKJJBVSA-N 420.425 4.310 30 40 HIEB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3Sc3ccccc3C#N)ccc21 12428060 UUEWWFKMPRYIIG-UHFFFAOYSA-N 414.490 4.152 30 40 HIEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1occc1Br 12655133 BAXFRWNDGQAUOD-UHFFFAOYSA-N 402.248 4.229 30 40 HIEB O=C1CS/C(=N\c2cnn(Cc3ccc(Cl)cc3)c2)N1Cc1cccs1 17082592 ZXVHOKYLHUEXPY-UZYVYHOESA-N 402.932 4.409 30 40 HIEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 22110999 NCMVGMAUFSRBCD-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1 23873357 KONCMWYSICIJES-UHFFFAOYSA-N 411.505 4.062 30 40 HIEB COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)cc2c1 79112459 LYBNKQYLVCVXQO-OAQYLSRUSA-N 404.857 4.466 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)no1 102702355 ZJLBPLBXQIQIKF-SELCWUDQSA-N 412.804 4.402 30 40 HIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224830923 SEDPQTIGUKJPKZ-UHFFFAOYSA-N 400.283 4.146 30 40 HIEB C[C@H](Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O)C(=O)O 409276188 OSSIZCOWHZLCLF-INIZCTEOSA-N 419.481 4.178 30 40 HIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O 4910526 ALLYLUDBNMJCCC-LJQANCHMSA-N 419.525 4.406 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 4993307 KTGDQVNBWXEJII-JOCHJYFZSA-N 404.466 4.007 30 40 HIEB Cc1cc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n2c(nc3ccccc32)c1C#N 6244615 XVUXGVDLIOPGPK-UHFFFAOYSA-N 416.506 4.119 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 7060799 GOSYHVAQONZMBV-UHFFFAOYSA-N 413.458 4.377 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccccc2)N1c1ccccc1 9667505 HBGPCBZZRFSQQG-XJUMHSELSA-N 408.504 4.253 30 40 HIEB COc1ccc(C(=O)CSc2nc(N)c(C#N)c(C3CCCCC3)c2C#N)cc1 12420381 VXUFINXLNCHTNT-UHFFFAOYSA-N 406.511 4.438 30 40 HIEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1 19820691 VSSSKRSJVNVQIF-UHFFFAOYSA-N 401.539 4.372 30 40 HIEB C=CCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1nc(-c2ccccc2)cs1 40129363 CEBBSEGBLHRGGI-UHFFFAOYSA-N 424.570 4.257 30 40 HIEB C#CCOc1ccc(CCNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1 72278480 BHJXWMCQJFMJNG-UHFFFAOYSA-N 416.525 4.431 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102535068 WZJCYOPLDMKYIL-NHFXJNLRSA-N 404.853 4.357 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)o1 409309687 KXVOFCUKJRPMCU-GFCCVEGCSA-N 417.307 4.214 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 1815656 MAXDARDKZCEYFF-MTMYEVCSSA-N 411.504 4.279 30 40 HIEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(C(C)C)C(C)C 3271516 GTSLLJOPRPNOTK-UHFFFAOYSA-N 416.591 4.343 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c1 5812688 UXVFBPQEULIQRE-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402665 NZBDHGYNAKFCTB-HXUWFJFHSA-N 414.468 4.022 30 40 HIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14095396 XJHNHYJCXUJJGL-UHFFFAOYSA-N 423.516 4.118 30 40 HIEB C[C@H](NC(=O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 100556835 NZDSYEQKTLSCHK-XVKPBYJWSA-N 400.216 4.434 30 40 HIEB Cc1ccc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc1 408748725 GVRMPFRRLJIQOY-OQLLNIDSSA-N 420.275 4.491 30 40 HIEB COc1ccccc1/C=N/Nc1nc(-c2cc3cccc(OC)c3oc2=O)cs1 4980090 SJTXDENDQOUDSG-SSDVNMTOSA-N 407.451 4.380 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1Cl 5476013 LSNKYQDAJMCIHN-UHFFFAOYSA-N 409.667 4.390 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c(OC)c1 13653871 FWTGKIXGYPRUSM-PWKYRQDESA-N 409.482 4.258 30 40 HIEB biogenic C=CCOc1cccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)c1 13722010 FWKGKQYBYHTEIP-UHFFFAOYSA-N 414.288 4.242 30 40 HIEB CN(c1cccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1)S(C)(=O)=O 19855684 BMMQKPPXOVIMLN-XQNSMLJCSA-N 408.479 4.052 30 40 HIEB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)[C@@H]1c1cccc(Cl)c1Cl 22057507 RZOPKQWAEXIRCY-QGZVFWFLSA-N 423.296 4.248 30 40 HIEB in-vitro COc1ccc([C@@H](CNc2oc(COc3ccc(C)cc3C)nc2C#N)N(C)C)cc1 27991350 ALVJBRVEOANGDN-OAQYLSRUSA-N 420.513 4.466 30 40 HIEB CC(C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828632 UIURYTHGPYCJOI-KRWDZBQOSA-N 400.891 4.142 30 40 HIEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2)c1 32931304 XPEVPLQIMUHYAI-UHFFFAOYSA-N 413.521 4.341 30 40 HIEB N#Cc1cccc(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c1 49006711 VQTRPCQIWSRTHJ-UHFFFAOYSA-N 409.902 4.345 30 40 HIEB O=C(Nc1ccccn1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576077 LORIXHKZCGMACT-ZETCQYMHSA-N 406.151 4.055 30 40 HIEB biogenic C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1O 100765452 IURQOJBLZMDDEA-NHCUHLMSSA-N 409.526 4.153 30 40 HIEB COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 103834804 HZIPTYPBZWWTOD-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 107465228 IUXQGNPPYUKQIR-FHIRATQRSA-N 408.340 4.152 30 40 HIEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Nc2ccccc2)cc1 408741351 PIAFNHVEYNOKEH-UDIPQKBFSA-N 414.490 4.197 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\C=C\c2ccco2)C1=O 409051716 MSQHAJKHLGDKQU-NPDFUIFFSA-N 409.463 4.006 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OCC 409054105 RIDCDOLSBACINO-PGMHBOJBSA-N 423.490 4.213 30 40 HIEB N#Cc1ccsc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 2625277 CPHFURNGUZCKJW-UHFFFAOYSA-N 417.537 4.284 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccccc4C)C3=O)n2)cc1 4322230 MJOADSUOSVMQMK-CLCOLTQESA-N 405.483 4.318 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C)cc1 5478575 BPIFQFFOLFPKMG-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c1 15133652 DPPRINGVASAJPQ-LPYMAVHISA-N 420.381 4.477 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(OC)cc1 16741384 OCZYDKBFOFHONR-OAQYLSRUSA-N 407.466 4.167 30 40 HIEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 22111228 NVFBXHSEKOVBDI-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115465 UGSOZNUUHWVBKD-KOEQRZSOSA-N 417.465 4.478 30 40 HIEB COc1ccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 34105924 WMZYBEJSGSZYGH-UQQQWYQISA-N 402.435 4.265 30 40 HIEB C=CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cccc(OCC)c21 100909722 ZYUCNOVWIRLGBN-FCQUAONHSA-N 406.463 4.135 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102885919 BAXJKAFIVDVBIH-MRJHHRETSA-N 418.449 4.316 30 40 HIEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224829122 JEUSHMADDBIGJT-UHFFFAOYSA-N 400.283 4.146 30 40 HIEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OC(=O)c1ccccc1 408885461 AHMWXCUNJIAEFC-YDZHTSKRSA-N 406.398 4.054 30 40 HIEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1C 940395 TYWBKDCWHKWBTG-QFIPXVFZSA-N 404.470 4.052 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(F)c1 4736324 CIWAIWUDTYQBKT-CYBMUJFWSA-N 417.535 4.463 30 40 HIEB CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 5155846 FFQZJNXUMHFOSF-STZFKDTASA-N 407.466 4.431 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 8845235 OTGQWGNUVQDSLN-LHSJRXKWSA-N 419.433 4.283 30 40 HIEB CCc1cccc2c(C3=NN/C(=N\CCc4ccc(OC)c(OC)c4)SC3)c[nH]c12 21323535 NGLDUJMTSYYQFW-UHFFFAOYSA-N 422.554 4.387 30 40 HIEB O=C1/C(=C\c2ccccc2F)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 68736432 MSFKGEZFMAESSV-RGVLZGJSSA-N 414.385 4.349 30 40 HIEB C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 101287981 VCGZSVOICKMWHP-MRJHHRETSA-N 416.433 4.174 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(OC(C)C)cc2)no1 102374339 XSYNMKSGEUWJLU-LFVOPCPISA-N 424.478 4.458 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102501370 NTSHDPRDRHVPPD-JBCNATCCSA-N 403.434 4.219 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 409128484 IJQLMQXTJQHKAR-NRFANRHFSA-N 419.477 4.038 30 40 HIEB Oc1ccccc1/C=N\CCOc1ccccc1OCC/N=C\c1ccccc1O 2382214974 KHJUNNMTYZMANO-MFYXSQMNSA-N 404.466 4.094 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C[C@@H]12 4086225 LWCXKNMSQYVAHH-MXCHMSEPSA-N 400.607 4.251 30 40 HIEB biogenic Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)NCCc2c[nH]c3ccccc23)n1 4740399 BKWZFVKYVGHBRE-UHFFFAOYSA-N 418.526 4.077 30 40 HIEB CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1OC 8324627 CULDRXZYLYSXGV-ZIKOHYJISA-N 412.467 4.026 30 40 HIEB Cc1ccc(/C(N)=N/C(NC(=O)c2ccccc2F)(C(F)(F)F)C(F)(F)F)cc1 8445293 JVZYOQBCOLOVPG-UHFFFAOYSA-N 421.316 4.090 30 40 HIEB COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O 13777015 YKRPNAYHTRZIJW-NVMNQCDNSA-N 415.239 4.389 30 40 HIEB COc1ccccc1[C@@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 40266953 SCPWKMKQYHDSRG-XCLFUZPHSA-N 406.417 4.197 30 40 HIEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 84093840 RWAAKMMVPGVOQO-HXUWFJFHSA-N 424.501 4.312 30 40 HIEB CCN1CC[C@](O)(/C=C\c2ccc(OC)cc2)[C@H](C(=O)/C=C/c2ccc(OC)cc2)C1 104300653 JYLZSDOALDKVPO-ZMTLOXTHSA-N 421.537 4.072 30 40 HIEB CC(C)=CCC[C@]1(C)/C=C/[C@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 230148715 GYXPHGPELZUVGI-AIDGSOQESA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(CC)c1C 409283073 QBHYTKGRVLQTCW-UHFFFAOYSA-N 401.308 4.042 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)c(Br)c1 1531383302 DZNCWAWNPYDLKA-YDZHTSKRSA-N 420.266 4.414 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)sc2c1CCCC2 925462 XOBZXNOAIYRACT-UHFFFAOYSA-N 414.487 4.418 30 40 HIEB CCCCn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2c1=O 2639350 XBFIRTVDEGGBLD-UHFFFAOYSA-N 406.511 4.261 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1ccccc1F 5765710 IECCFGHLZHOPKU-UHFFFAOYSA-O 405.280 4.473 30 40 HIEB N#Cc1ccc(COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 6590203 IBLNIYLTMAGJSY-UHFFFAOYSA-N 404.491 4.480 30 40 HIEB Cc1cc(Cl)nc(Cl)c1S(=O)(=O)N/N=C\c1c(Cl)cccc1Cl 8854854 OHAZCOCPYMKOGE-FXBPXSCXSA-N 413.113 4.316 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10329141 VVEJVRILSXAIFS-HNNXBMFYSA-N 422.934 4.006 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OC)c2)cc1 16742392 YDTPOVHKPPEPSK-NRFANRHFSA-N 407.466 4.248 30 40 HIEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 20673752 OAJFACBWXCECHH-QGZVFWFLSA-N 409.921 4.267 30 40 HIEB COc1ccc2nc(NCCCNC(=S)Nc3cccc(C)c3)c(C#N)cc2c1 35312366 VFKVLORBKQVBPW-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB COc1ccc(-c2nc(N(C)Cc3ccc(C(F)(F)F)cc3)nc(O)c2C#N)cc1 40122664 IPWUMZPUEGIBSL-UHFFFAOYSA-N 414.387 4.385 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 102501620 IOBIYPPHRAXIKM-HOGKFDNTSA-N 421.493 4.405 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 102546807 WCICEEUZNQRRLP-XOMYGGGSSA-N 412.945 4.083 30 40 HIEB Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144595987 IYDFNOHDSYCXIE-AFUMVMLFSA-N 404.495 4.040 30 40 HIEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 223719200 AIVCGWCHBQVFML-UHFFFAOYSA-N 416.326 4.388 30 40 HIEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771291 DYXBLDFXJFBHDW-INIZCTEOSA-N 423.469 4.331 30 40 HIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 226337104 PXBPUYRECUMZOT-YRNVUSSQSA-N 401.256 4.226 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Br)c1OC 408532888 WODIXSNSWKGDAT-GDNBJRDFSA-N 419.300 4.358 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)S2)cc1 408756593 WOTHJIBKBHQTBH-NVNXTCNLSA-N 403.847 4.408 30 40 HIEB CCc1nc(SCC(=O)NCc2ccc(F)cc2)c(C#N)c(C(F)(F)F)c1C 663938 HNPYVOBIZXILBI-UHFFFAOYSA-N 411.424 4.391 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2cc1OC 1355194 RBMXMIJRNMXAMZ-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 2801375 PFFSSAAWKDTQQT-NRFANRHFSA-N 423.513 4.211 30 40 HIEB O=[N+]([O-])c1cc(/C=N/OCc2ccc(C(F)(F)F)cc2)ccc1N1CCOCC1 4052566 XDBORIFNKIMPDS-FSJBWODESA-N 409.364 4.001 30 40 HIEB COc1cccc(/C=C2\S/C(=N/C(C)=O)NC2=O)c1OCc1ccccc1Cl 5457932 CMOPPRDAGIRDES-YVLHZVERSA-N 416.886 4.034 30 40 HIEB Nc1nc(C(F)(F)F)cc(=O)n1/N=C/c1ccccc1Oc1ccc(Cl)cc1 6884431 RZPLYBHRHHHSHT-YSURURNPSA-N 408.767 4.172 30 40 HIEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 12418805 NZFBXPFBNMRDFW-BQYQJAHWSA-N 424.913 4.394 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nc2ccsc2c(=O)[nH]1 13112670 IKGHFMFYESGXTA-UHFFFAOYSA-N 419.487 4.364 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 20195774 KAVSXKKNUIQLFT-WGOQTCKBSA-N 406.482 4.415 30 40 HIEB CCNC(=S)N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 33788817 VRHLAPVFJIOPEA-YDZHTSKRSA-N 408.483 4.145 30 40 HIEB C#CCOc1ccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cc1OC 36740501 MZVZZLHHEMOALE-UHFFFAOYSA-N 421.585 4.414 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 103459478 XXIAUQLGBJCRQD-CULCSUMMSA-N 405.882 4.459 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 409138339 AELCLHDMTYBQMH-QNGOZBTKSA-N 423.538 4.153 30 40 HIEB Cc1cccc(Cn2cc(C=Nn3c(O)nc4ccccc4c3=O)c3ccccc32)c1 409350712 VTRRARGXYVLEGW-UHFFFAOYSA-N 408.461 4.296 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCO2 1306457 USEPKQSVPFFLDU-UHFFFAOYSA-N 413.886 4.488 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)cc1 5446134 FAIXUOMSOCHBKZ-INIZCTEOSA-N 411.870 4.283 30 40 HIEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C(=O)OC)cc1 8363721 ZVGJTEJYRTUJFO-SLHJDRLVSA-N 416.886 4.456 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2sc(CC)cc2c1=O 13129413 MYGQVBSOKPLDHO-CYBMUJFWSA-N 424.551 4.197 30 40 HIEB CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3ccc(OC)c(OC)c3)o2)c1 20195887 KKMWQSRVTYVCLF-MFKUBSTISA-N 408.454 4.264 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 102804410 UYFBXDYROPCMOD-NHFXJNLRSA-N 404.422 4.008 30 40 HIEB C=CCN(c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1)S(C)(=O)=O 224979074 ISDCQTNXIPUPGF-UHFFFAOYSA-N 420.534 4.487 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 239235864 WWRXLKKVHLBDIO-IJPOMDLSSA-N 421.500 4.077 30 40 HIEB C=CCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21 720203 ICNRHSXEHSIYCI-RUZDIDTESA-N 411.461 4.153 30 40 HIEB COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OC 953919 AREDPUUMQZEFFF-STMXVASLSA-N 412.511 4.422 30 40 HIEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4544050 ZGJPZSCLCQVATJ-ZUTVHTERSA-N 407.853 4.340 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 4993257 RASNDGGBVHMQRS-JOCHJYFZSA-N 406.457 4.441 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 5444588 RLFXEELXLYYRCX-IRLDBZIGSA-N 421.493 4.151 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)N(C)CCc3ccccn3)c(C)c12 9306735 HDCICRCDNCNVEM-UHFFFAOYSA-N 420.509 4.003 30 40 HIEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 9380161 PFJDADSLLGBQOU-YTIGJDNKSA-N 421.444 4.268 30 40 HIEB COc1ccc(/C=N/N=C(/C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16954708 VZSDEQMVYWGOPL-LBEGURLNSA-N 402.450 4.419 30 40 HIEB Cc1ccc(-c2n[nH]c(/N=C(\O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)n2)cc1 28856101 XGFTXBHYVYLKBI-UHFFFAOYSA-N 405.487 4.298 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1cccc(F)c1 32579535 MPJFYZACYGZOBX-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3ccc(C)cc3C)c(C#N)cc2c1 35312342 YDFPLCSQRGURAA-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB Cc1nc2c(c(=O)o1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)O2 72408133 SBYRMWMCFOFPJJ-HNNXBMFYSA-N 416.271 4.273 30 40 HIEB C[C@@H](NC(=O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 100556841 NZDSYEQKTLSCHK-GMSGAONNSA-N 400.216 4.434 30 40 HIEB COCC/N=c1/scc(-c2ccccc2Br)n1/N=C/c1ccsc1 103460582 RFPVPUXDVABZNR-DTTLINJISA-N 422.373 4.470 30 40 HIEB O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)F 103542831 ABKMBSJLQRYJPD-UHFFFAOYSA-N 410.101 4.236 30 40 HIEB O=C(COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)Nc1ccccc1 408931109 HIBPTMCQQYKGQY-NLRVBDNBSA-N 415.493 4.291 30 40 HIEB COc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1C 409286778 QSIRJOBZZRHGOZ-UHFFFAOYSA-N 414.303 4.482 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC(C)C 409287962 BERQQNHJLDJTFW-UHFFFAOYSA-N 414.303 4.391 30 40 HIEB C=CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccc(Cl)cc12 9015832 VUHXZKZDZMOAAO-UHFFFAOYSA-N 404.813 4.286 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(OCC)c1 20633224 UBWIXYWWLZCWBS-OAQYLSRUSA-N 405.454 4.159 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408728514 NUVHVCNNUXCQEU-FFMDYLORSA-N 414.383 4.497 30 40 HIEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 5155971 SHZHZRYJPTUVNN-LICLKQGHSA-N 421.518 4.412 30 40 HIEB C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 4577152 ZRXLLAYHXHUGLW-LSPPGFKNSA-N 400.548 4.176 30 40 HIEB Cc1n[nH]c(=S)n1/N=C/c1ccccc1OCc1ccc(Br)cc1 5410212 IEBOZZAWXRMXHQ-VXLYETTFSA-N 403.305 4.473 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O 3470675 QUSRVYAKTFVPAZ-WOSRLPQWSA-N 419.616 4.294 30 40 HIEB Cc1ccc(-c2cc(N/N=C(/C(=O)c3cccs3)C(=O)C(F)(F)F)[nH]n2)cc1 4262771 VCPNSXQFBZAXJN-MYYYXRDXSA-N 406.389 4.229 30 40 HIEB CCOc1cc(/C=N/N=C(/N)S)ccc1OCc1ccc(Br)cc1 6078630 NKGVZCJUYKJFGT-KEBDBYFISA-N 408.321 4.005 30 40 HIEB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cc1C 15738954 FCXOJLMWGQAEDR-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB C=CCS[C@]1(Br)NC(c2ccc(OC)cc2)=C[C@H](c2ccco2)N1 101320921 PDHUDWLPRZRZEY-SJLPKXTDSA-N 407.333 4.489 30 40 HIEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933256 AASNNHRYBMYVID-BHGWPJFGSA-N 421.840 4.076 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O 409097278 GFEMYLKQNFKCKI-UXBLZVDNSA-N 419.094 4.140 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409320347 CTZAPOJRRLCLBH-UHFFFAOYSA-N 400.276 4.089 30 40 HIEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 3292011 NPIKNMFCGIJFNK-UHFFFAOYSA-N 423.567 4.415 30 40 HIEB NP(N)(=O)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 3466372 JXCGOYQFPCCRNV-ZETCQYMHSA-N 404.169 4.238 30 40 HIEB COc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc(OC)c1 4849093 DRPAQWRBKDFDRZ-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CC/N=C(/Nc1ccc(C)c(C)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 6386082 MLZLTYKARCXDGQ-LJQANCHMSA-N 411.527 4.165 30 40 HIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@@H]1CCCCN21 6589981 WLMYTEBZMUDKGB-WIOPSUGQSA-N 408.509 4.434 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 9019639 YLXRWNZLMJFFAH-HXUWFJFHSA-N 418.405 4.275 30 40 HIEB CCOc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 9419158 OKKAHLOJUHRSMG-HMAPJEAMSA-N 422.458 4.469 30 40 HIEB O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9419632 HOWVPSLOMVGJHU-JAIQZWGSSA-N 414.385 4.349 30 40 HIEB N#Cc1cccc(NCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 9604369 HQNAHIPQQGXWIL-UHFFFAOYSA-N 405.479 4.036 30 40 HIEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1c(F)cccc1Cl 12874226 IWTGJNQZJWLESJ-INIZCTEOSA-N 424.929 4.005 30 40 HIEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 12898104 WZXDCGVUSJYVPM-FQEVSTJZSA-N 407.420 4.247 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(OC)cc1 16741385 OCZYDKBFOFHONR-NRFANRHFSA-N 407.466 4.167 30 40 HIEB COc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 16916241 RMYVBLFQZVBUMS-UHFFFAOYSA-N 407.706 4.265 30 40 HIEB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)c1 18144206 BHZVWXQMJFMEJZ-DVCONVQISA-N 417.918 4.329 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 34688255 MEORDTBKLPKHNN-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB O=C1Nc2ccc(F)cc2/C1=N/c1cc(Br)c(O)c(Br)c1 77024160 NIJPFEQQEYJKQL-UHFFFAOYSA-N 414.028 4.129 30 40 HIEB CCNC(=O)COc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1OC 97029948 PETIEUUCSGFRPB-GDNBJRDFSA-N 422.456 4.043 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 102880734 PCOMPDGYHQYFRK-MOBKVPTQSA-N 423.509 4.024 30 40 HIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(O)c3)cc12 409285019 VWZUMSMPIRXXHU-UHFFFAOYSA-N 411.417 4.406 30 40 HIEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795032 QEUNCAKSPLGJQE-YLJYHZDGSA-N 409.482 4.334 30 40 HIEB CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 813579 NYRSJZZCKXOVET-JOCHJYFZSA-N 404.466 4.094 30 40 HIEB CCOc1cc(/C=N/S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 952560 JXQYXODOJVQMLN-GIJQJNRQSA-N 418.696 4.015 30 40 HIEB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)COc2ccc(C#N)cc2)c2ccccc2)c1 3314081 YSDAUEWIURLQKF-DEOSSOPVSA-N 414.461 4.477 30 40 HIEB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313220 GHGLYXAVQIMBGP-CYBMUJFWSA-N 415.588 4.326 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCCc3ccccc32)n(C[C@@H]2CCCO2)c1C 8339526 WJZJCVIFLLEKRI-REWPJTCUSA-N 420.557 4.104 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 8845236 OTGQWGNUVQDSLN-QKKBWIMNSA-N 419.433 4.283 30 40 HIEB C[C@@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cc(F)cc(F)c1 9011957 GOWUHNYZJLEMQE-PRWKNARSSA-N 408.408 4.472 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CN2CCC(C(=O)c3ccccc3)CC2)cc1C 12919462 JXWRCYBEYDODSH-UHFFFAOYSA-N 403.526 4.145 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)C1(c2cccc(F)c2)CCCC1 15183300 ICUCBUKPZGMJJO-UHFFFAOYSA-N 416.474 4.073 30 40 HIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2ccncc2)c(OC)c1 28922923 SFHHFTRQZZWWPW-HSZRJFAPSA-N 401.466 4.422 30 40 HIEB CCc1ccc2nc(N3CCCN(C(=O)Nc4ccc(C#N)cc4)CC3)c(C#N)cc2c1 35311731 LMDRBGDYPWMGPP-UHFFFAOYSA-N 424.508 4.285 30 40 HIEB Cc1sc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 102632133 HVCSFLDSJWXOSE-LFGUQSLTSA-N 406.507 4.385 30 40 HIEB O=c1oc2ccccc2c(O)c1[C@H](C/C(CCN1CCCC1)=N\O)c1ccccc1 104295916 WGWBUASVGLDXKO-SWYXWEQBSA-N 406.482 4.337 30 40 HIEB CCOc1cc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)ccc1OC 408732230 PRPLAHUGWSFIEP-PCLIKHOPSA-N 414.465 4.073 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(I)cc1 409069149 WKKDTFSCZRFGJM-MOSHPQCFSA-N 406.267 4.187 30 40 HIEB CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 4540801 QEUNCAKSPLGJQE-FXAWDEMLSA-N 409.482 4.334 30 40 HIEB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C#N)c(C#N)nc12 4727521 NUGUWRRJZDEYDF-XCLFUZPHSA-N 411.387 4.032 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)c(OC)c1 4919062 JJOXAJBQAZGCHL-WMZHIEFXSA-N 410.466 4.032 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5855607 MSTCSBIYRXLMDC-INIZCTEOSA-N 408.527 4.109 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 5883996 DHFNDIPWOJLNNI-NHFXJNLRSA-N 412.917 4.022 30 40 HIEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1 5997517 IMFQBLQSKWRYTA-INIZCTEOSA-N 411.527 4.091 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccnc1 7644485 IXQMNBGKTDOGLS-HNNXBMFYSA-N 409.515 4.037 30 40 HIEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1[C@H]1COc2ccccc2O1 8705731 PAWUZIUQRQBLRQ-LJQANCHMSA-N 413.474 4.417 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4nc(SC)sc4c3)cc2C1=O 14841636 ZUHDDWCCEFKAEP-UHFFFAOYSA-N 409.492 4.053 30 40 HIEB CCCCCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 15188179 ALZVPWYGTWJSLY-BZZOAKBMSA-N 407.514 4.013 30 40 HIEB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1/N=C\c1ccccc1[N+](=O)[O-] 16449493 XDSFOTNDMCOTBI-FBHDLOMBSA-N 424.210 4.141 30 40 HIEB CCCCN(C)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1 32682603 CDWCKMUPQUPQGS-FQEVSTJZSA-N 408.527 4.213 30 40 HIEB N#Cc1ccc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 32912918 AUINWKSOODOXDG-UHFFFAOYSA-N 410.521 4.128 30 40 HIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn2c(-c3ccccc3)ccnc12 32922016 TZWNZKWJAZWDLH-UHFFFAOYSA-N 420.394 4.197 30 40 HIEB CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)CCCC1=O 100140308 IJLCQLHEYNFARK-UHFFFAOYSA-N 408.420 4.493 30 40 HIEB biogenic,in-vitro C#CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408787148 SKYYMRQYBVUNAU-RNHBDSLOSA-N 408.523 4.259 30 40 HIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409057738 KVSRDAOIOHBMJL-KEBDBYFISA-N 412.427 4.034 30 40 HIEB CCOc1cc2c(cc1C=Nn1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 409403657 IUMDBZKWHQUQJM-UHFFFAOYSA-N 413.433 4.073 30 40 HIEB CCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 4616487 RMIXBPVVELGOEI-UHFFFAOYSA-N 409.511 4.238 30 40 HIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(OC)cc2)CC1=O 4910653 KWILWBJJESKSGW-IBGZPJMESA-N 419.525 4.406 30 40 HIEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(OC)c(Br)c1 10002525 PPJANZZEJTZUBJ-UTSGGKDNSA-N 420.259 4.198 30 40 HIEB N#Cc1ccccc1CSCCNC(=O)c1ccc(NC(=O)c2ccco2)s1 12916023 CJLASRDNQFVPEI-UHFFFAOYSA-N 411.508 4.128 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccc(F)cc3)CC2)cc1 23436589 LOJUJLSLICUSJS-UHFFFAOYSA-N 414.484 4.399 30 40 HIEB CN/C(=N\c1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 96509946 PIGAIGVVNVDOOT-OAHLLOKOSA-N 408.310 4.266 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 102799060 VNVHSDQGIMZGKY-DPEHCCBOSA-N 412.294 4.123 30 40 HIEB O=C(O)c1ccccc1-c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1 1083993 FWAUYOVZGXSWRC-BHGWPJFGSA-N 419.462 4.177 30 40 HIEB CC/N=C1/S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N1CC 2155616 CSDYONZGDMCBNW-ZQRXGZGKSA-N 410.495 4.276 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2sc(C)c(C)c2c1=O 2395666 GZIULXGQTBOSSC-UHFFFAOYSA-N 421.494 4.270 30 40 HIEB COc1cc2c(cc1O)CCN(/C=C/C(=O)c1ccc(Br)cc1)[C@H]2C 4047159 BWSRBKWNZOVOET-FROQITRMSA-N 402.288 4.479 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 6565265 QZUOEUALSYUYLW-INIZCTEOSA-N 400.843 4.481 30 40 HIEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 7853892 LOABENVHEGSFGV-AWEZNQCLSA-N 412.536 4.436 30 40 HIEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1 8570704 FEPVSEGZKCMVAI-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB COc1ccccc1NC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(C)C)cc1 16186423 WQFMEAVUCPRRLV-LVWGJNHUSA-N 413.481 4.306 30 40 HIEB O=C1/C(=C/Nc2ccccc2F)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 20575605 XLGBCOAQRVBNLI-PDGQHHTCSA-N 414.483 4.373 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cc(OC)cc(OC)c3)nc2c1 35289740 JMGSTGZKXVWFHQ-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1)OCO3 35311063 CXSKEMCFDWFQBS-UHFFFAOYSA-N 415.833 4.358 30 40 HIEB N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 40129911 ULZNKJRALQWXFQ-UHFFFAOYSA-N 409.492 4.282 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12 61992805 DYNOLVYTIQFOGO-MXCHMSEPSA-N 412.549 4.262 30 40 HIEB biogenic CCCCCCCCCCCCCCS(=O)(=O)N(CCC(=O)O)CCC(=O)O 100934065 UGWOUQKYEACGSW-UHFFFAOYSA-N 421.600 4.269 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N\CCCCCC/N=C\c2cc([N+](=O)[O-])ccc2O)c1 103653281 KBFXULVQYYEXBE-JZTLMNBPSA-N 414.418 4.013 30 40 HIEB C=C(C)CN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 216236511 LLCVPGVGOZPLLQ-OHWVOJQTSA-N 423.938 4.009 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)S2)cc1 408954773 UZPQAIOYTMIRQX-SFQUDFHCSA-N 414.483 4.003 30 40 HIEB CC(C)/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C(C)C 1001546 RHNQCGOVRCCMEW-LVHCJKAXSA-N 402.347 4.439 30 40 HIEB Cc1cccc[n+]1CC(=O)c1ccc(-c2ccc(C(=O)C[n+]3ccccc3C)cc2)cc1 1556031 FXUZVZQXGRCAKC-UHFFFAOYSA-N 422.528 4.311 30 40 HIEB Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c2c1C 1895265 HZUNNFIIBKBRBZ-UHFFFAOYSA-N 400.554 4.461 30 40 HIEB COc1ccc(/C=N/n2c(C)nnc2C)cc1COc1cccc(C(F)(F)F)c1 2792273 BAGATAIMQFWJSF-BHGWPJFGSA-N 404.392 4.384 30 40 HIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc12 4116307 ONOKTFYAQLOIIC-NJDIQBRYSA-N 401.466 4.399 30 40 HIEB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 7897680 HUJUVRHAZLADNZ-UHFFFAOYSA-N 414.461 4.381 30 40 HIEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 19939922 YGNGRQOGMPMXOF-UHFFFAOYSA-N 413.568 4.112 30 40 HIEB CCCC(=O)[C@@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 20027089 SDBVXRYSOMHOFK-LAUBAEHRSA-N 417.552 4.245 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC 27571030 BMVRUXXOBHMJIC-NRFANRHFSA-N 417.461 4.001 30 40 HIEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cccc(C)c2C)c1=O 28538710 UFTTWQIICCZOAB-UHFFFAOYSA-N 408.527 4.486 30 40 HIEB Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)NCc3ccccc3)nc2c1 35310901 LHHBAUIPJMUYAX-UHFFFAOYSA-N 403.555 4.190 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@@H]12 61992800 WLRDUFWIFGLONX-HROMDODWSA-N 424.585 4.131 30 40 HIEB biogenic COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C/c1ccncc1)C2=O 68738128 XIMSIVAHVZKBFL-UDWIEESQSA-N 417.417 4.243 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 102542900 YBKKFCWXAVTFAN-JBCNATCCSA-N 418.449 4.085 30 40 HIEB COc1cccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102804083 SVUHAWIMHZKKPA-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1C 102862926 FBAVNIMYEHAUCI-NHFXJNLRSA-N 422.412 4.065 30 40 HIEB CCc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)cc1 252496763 PRIOQRBYWRJKLG-YSURURNPSA-N 406.387 4.352 30 40 HIEB C#CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 408920349 IRQXRHUSOLEUKN-UHFFFAOYSA-N 405.494 4.141 30 40 HIEB COc1ccccc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409280115 JOYBNQLKKBMEFN-UHFFFAOYSA-N 414.303 4.347 30 40 HIEB N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3cc4ccccc4[nH]3)cn2)cn1 585294836 VIFMKIVSMSPPLJ-QHCPKHFHSA-N 409.497 4.695 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc(O)c1 1531186344 UVCJPQPJJASOFB-NHDPSOOVSA-N 400.276 4.044 30 40 HIEB COc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 778155 YNROXWIHWIAEMG-HXUWFJFHSA-N 421.522 4.045 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccc(F)cc3CC[C@H]2C)nnc1-c1ccncc1 1225121 VBLIHXRCHWTRGC-OAHLLOKOSA-N 423.517 4.125 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(C)n2-c2ccccc2)c1 6109175 LLKGUHWGEQGSKA-UHFFFAOYSA-N 405.527 4.232 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1 6785260 PJUOMGWJMDBCDF-MRJHHRETSA-N 422.481 4.098 30 40 HIEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 7605294 GCRIKWRAMRFDIZ-LLVKDONJSA-N 404.561 4.447 30 40 HIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(O)c1)Nc1nonc1N2 12408474 HXCJKMHYFJPUII-ORAYPTAESA-N 408.845 4.408 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C[C@@H]12 12885023 LWCXKNMSQYVAHH-LEKAPFLCSA-N 400.607 4.251 30 40 HIEB biogenic N#Cc1c(SCC(=O)c2ccc(Cl)c(Cl)c2)sc2c(O)cc(=O)[nH]c12 13990403 MTGMZLSSKUSJDB-UHFFFAOYSA-N 411.291 4.449 30 40 HIEB Cc1ccc(SCc2cc(=O)nc(/N=C(\N)Nc3cccc(Cl)c3C)[nH]2)cc1 20503592 OAKNJUIPAUTDMS-UHFFFAOYSA-N 413.934 4.391 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 40090219 ISLXMFQVKLAGHO-DOTOQJQBSA-N 421.335 4.279 30 40 HIEB COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CC(C)(C)N2C)cc1OC 49543693 IINUIABWYMTUJM-UHFFFAOYSA-N 411.498 4.211 30 40 HIEB biogenic C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 102927802 YDGNUHQXDZVIGP-MOBKVPTQSA-N 421.493 4.018 30 40 HIEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773562 PXMXUCNERAUSHH-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)o2)cc1Cl 226661953 VKBXHIYTVCVTQV-MLFHHNPJSA-N 406.869 4.295 30 40 HIEB C=CCn1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 409302007 DVUVMNICVSPJLV-UHFFFAOYSA-N 421.298 4.490 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@@H]1C(=O)/C=C(\C)CC[C@H]1C=C(C)C(=O)O1 1772591065 DLNKPVUPXOYXQF-LGSHHTATSA-N 416.558 4.348 30 40 HIEB N#Cc1c(NC(=S)NC(=O)c2cccc(Br)c2)sc2c1CCCC2 1095458 XNDXVXPOGHWJAK-UHFFFAOYSA-N 420.357 4.388 30 40 HIEB Cc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c1C 1354974 YOHHCZBFBQGPPF-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB S=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccccc1 15228808 LYVUGRRGIZDNHP-CHHVJCJISA-N 403.099 4.125 30 40 HIEB Cc1cccc(O[C@H](C)c2nnc(/N=C(\O)c3cc4c([nH]c3=O)CCC4)s2)c1C 19235699 DZIHOTMLTCRDCC-CYBMUJFWSA-N 410.499 4.108 30 40 HIEB C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c1 72271990 IVPOKCKQBOXDTP-UHFFFAOYSA-N 407.491 4.081 30 40 HIEB C=CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc([N+](=O)[O-])ccc21 100874443 PMWQOJFUIBPRLX-ZPHPHTNESA-N 418.272 4.301 30 40 HIEB CCCCSc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 104429556 KJVDGEPBQFZVNQ-GYHWCHFESA-N 409.555 4.336 30 40 HIEB C#CCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 6678989 MCZBGMIWQZOCII-IIBYNOLFSA-N 403.507 4.356 30 40 HIEB CN(C)[C@@H](CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 102709433 LDSKNQUMBCLNKY-ZYNFKTDBSA-N 422.506 4.066 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F 8365515 FUQYCGYAOAOEKG-CYBMUJFWSA-N 417.535 4.463 30 40 HIEB CCOc1cc(Br)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 22468321 BBTFMUXUGRHWGP-LPYMAVHISA-N 419.319 4.136 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1 2369635 XVCAIZBMSLPKTC-NRFANRHFSA-N 420.538 4.213 30 40 HIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O 2362246 REIHISXJZNQQOH-RTEBGVHSSA-N 415.490 4.087 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1cc2ccccc2o1 6080263 QVVBJAUZQRFVHO-NRFANRHFSA-N 411.417 4.001 30 40 HIEB CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 4682467 ZKMVLBIDIJIPKC-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 8715674 VPWVSDNNPXMRHO-XIKOKIGWSA-N 420.292 4.261 30 40 HIEB O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NC[C@H]1CCCO1 408817091 SWLIXUOHWHTHBT-OYPWENPISA-N 407.297 4.418 30 40 HIEB CCCCCCCCCCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 97949587 DKRZOMHWORJRMV-UHFFFAOYSA-N 422.595 4.025 30 40 HIEB CCc1sc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1Br 5399956 VJOONURAUUCORG-KRWDZBQOSA-N 410.333 4.214 30 40 HIEB CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4004512 OUUSWJFCCBCRBM-NJDAHSKKSA-N 418.294 4.439 30 40 HIEB CCOc1ccc(CC(=O)C2=C(NC)C[C@H](c3ccccc3)CC2=O)cc1OCC 100155612 PDSVKGBGSLZTIM-IBGZPJMESA-N 407.510 4.216 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 2629546 WTUIDEJLLQDJCX-UHFFFAOYSA-N 416.909 4.332 30 40 HIEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4860456 PUUJKIWKEQOHGJ-GBESFXJTSA-N 407.562 4.416 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 5488665 QUIXAACPIIRBTO-GHNGSUTGSA-N 418.946 4.165 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(OC)cc1 5500778 LDDKNEYIVRRRTC-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1OC 7058233 WTIXPFFWZNLWMQ-FNORWQNLSA-N 407.260 4.380 30 40 HIEB C=CCSc1nnc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)s1 9169616 WXYCMZRYUWMPRU-CQSZACIVSA-N 424.979 4.253 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(OC)cc1 9478866 GBSHQYSWODFBJU-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB COc1ccc2c(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc(=O)oc2c1 10711508 CJQDGXGYHKRLHH-UHFFFAOYSA-N 422.462 4.025 30 40 HIEB O=C1C(O)=C(c2ccccc2)[C@@]12CS[C@@]1(CS2)C(=O)C(O)=C1c1ccccc1 28087492 ODTMCQFJRBEHHM-SZPZYZBQSA-N 408.500 4.048 30 40 HIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(Br)cc1)=C2 49543581 CBRIPBVLBHVFML-UHFFFAOYSA-N 402.288 4.178 30 40 HIEB biogenic COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 104140795 RPXIIBIBFKRSMH-JBCNATCCSA-N 400.434 4.025 30 40 HIEB CCOc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC)cc1 252621222 MVMKYQJCWHMCJW-MORMLQEESA-N 413.455 4.323 30 40 HIEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)ccc1OCCC(C)C 1460240 RBWUPSSMPKSVMN-NRFANRHFSA-N 410.518 4.370 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccs2)n(Cc2ccco2)c1C 7606429 FZHGJMADAGUJKW-LJQANCHMSA-N 408.527 4.455 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 9042054 KZJJUWDADXRTKZ-CYBMUJFWSA-N 424.913 4.390 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)n(C2CCCC2)c1C 12255948 CKJHAIDBFVSHBB-SFHVURJKSA-N 412.317 4.157 30 40 HIEB Cc1ccc(-c2csc(N(C(=O)Cn3cnc(C#N)n3)c3cccc(C)c3)n2)cc1 12873095 WEWOZIGUZVEBHL-UHFFFAOYSA-N 414.494 4.255 30 40 HIEB CCOc1c(Cl)cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1OC 58394099 UMCYWIHOLSQUDZ-UHFFFAOYSA-N 404.271 4.094 30 40 HIEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1cccc(Oc2ccccc2)c1 100419887 DFCRQSDERJBNNK-ZIAJMNKWSA-N 407.433 4.060 30 40 HIEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 102801060 BAIPLELPHDEKAP-MRJHHRETSA-N 414.417 4.217 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C 102933196 BWNPUCOGIDHOLI-GHNGSUTGSA-N 424.453 4.231 30 40 HIEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1Cl 408587686 GRFFRCVXKVWRNW-KNMXLZQGSA-N 407.901 4.197 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc(F)c1 1531091877 AOTPZIOBDOHOME-JJFYIABZSA-N 402.267 4.478 30 40 HIEB N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)Nc1ccccc1F 2357781 HPRSMOQXYDICEZ-UHFFFAOYSA-N 407.426 4.219 30 40 HIEB C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 3041832 LOSWLYRHIYLPMP-UHFFFAOYSA-N 407.326 4.370 30 40 HIEB Cc1ccc2nc(SCC(=O)Nc3nnc(C(F)(F)F)s3)c(C#N)cc2c1 4125437 CXTPRTIVQYYCCK-UHFFFAOYSA-N 409.418 4.016 30 40 HIEB CCc1c(C#N)c(SCC(=O)Nc2cccc(OC)c2)nc2c1C(=O)CC(C)(C)C2 4167522 GCGUCSBDIOYBAY-UHFFFAOYSA-N 423.538 4.410 30 40 HIEB COc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)cc1 4712940 DMRLKRJDAJNMDH-ANTKNQIZSA-N 405.479 4.369 30 40 HIEB Cc1nn(CCCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1[N+](=O)[O-] 4873914 AEWBNJXCDSWXHY-UHFFFAOYSA-N 401.492 4.029 30 40 HIEB CN(CCC#N)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5013302 RFDIJLZVMNVPNB-UHFFFAOYSA-N 413.886 4.146 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nc2sc(C)cc2c1=O 5017279 RTOZRFYNSFMXTC-UHFFFAOYSA-N 400.525 4.326 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1OC 20633262 XZBMMHQRLOAWEQ-FQEVSTJZSA-N 405.454 4.072 30 40 HIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(OC[C@H]2CCCO2)c1 26412699 GQQRPAKCGKJBEO-QGZVFWFLSA-N 401.846 4.387 30 40 HIEB CCOc1ccc(S(=O)(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 35223572 TVQDTDRDHPFHTJ-KXNAUXDSSA-N 422.506 4.292 30 40 HIEB COc1ccc(-c2nc(N3CCC[C@@H]3c3ccc(OC)cc3)nc(O)c2C#N)cc1 40122666 YHKUAMUBGLZWOR-HXUWFJFHSA-N 402.454 4.080 30 40 HIEB CCN(CC)CCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 98212992 DXGZDQWIUJPWEM-HYARGMPZSA-N 419.319 4.404 30 40 HIEB O=[N+]([O-])c1ccc(CCN2CCCC/C2=N\S(=O)(=O)c2ccc(Cl)cc2)cc1 100102756 BKRSVROQVRTSND-XUTLUUPISA-N 421.906 4.064 30 40 HIEB in-vitro Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=O)c4ccccc4C3(C)c3ccccc32)cc1C 408726266 AWPSHCPHPHHWFV-JRFXRKNHSA-N 421.496 4.227 30 40 HIEB N#Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1 408918131 GMZBWJUCAUJRSS-NFJKTXFASA-N 410.860 4.305 30 40 HIEB CCCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1Br 409077372 FFHQNUSCUJXSHQ-YHYXMXQVSA-N 403.070 4.317 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1 2099032 IZSYZJUQDYCLBW-YVNNLAQVSA-N 416.385 4.259 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(F)cc1 2214221 CFSSJWRFEJMWLS-UHFFFAOYSA-N 412.490 4.400 30 40 HIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2cc(Cl)ccc2oc1=O 4598224 MGUOUABJBSHTAT-GQCTYLIASA-N 400.814 4.368 30 40 HIEB Cc1nc2ccc(I)cn2c1/C=N/Nc1ccc(Cl)cc1 5071880 XNNSKNTXPLOFAG-QGMBQPNBSA-N 410.646 4.347 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(OC)c1 5478303 SFMAEDZKDJMQGG-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC)c(OC)c1 5646143 NOPYJQVACUVCAC-NRFANRHFSA-N 419.477 4.225 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 6134386 OQELCCXRFXEEAA-HXUWFJFHSA-N 420.490 4.320 30 40 HIEB Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(CN2CCOCC2)cc1 6926332 YCRNVXMYILWTHC-SRZZPIQSSA-N 409.711 4.391 30 40 HIEB N#Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8189684 GVGXLTCMBYMJIR-UHFFFAOYSA-N 406.463 4.003 30 40 HIEB O=S(=O)(Nc1cccc(C#Cc2ccccc2)c1)c1ccc2c(c1)OCCCO2 12552401 NIHYBRKCGSJNLX-UHFFFAOYSA-N 405.475 4.049 30 40 HIEB CC1=CC(=O)C(C(C)C)=C/C1=N\C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 17862471 CKKODUNQLWDLOB-LNKNBHAJSA-N 406.507 4.375 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19500199 LYDKQDONNWWWTC-DEOSSOPVSA-N 419.569 4.200 30 40 HIEB CCCCN(C)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32682605 KANBHARSQWPVEJ-LJQANCHMSA-N 412.490 4.044 30 40 HIEB C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)C#Cc1ccccc1)c1ccccc1 95951573 JHXBYQJVECWVEW-SEIBCYHCSA-N 420.553 4.129 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1 102926049 AONUEEPKICCRQD-MRJHHRETSA-N 403.434 4.300 30 40 HIEB Cc1cc(C)c(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c(C)c1 409359020 MCHRJHPOISPLSP-UHFFFAOYSA-N 400.482 4.317 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)cc1OC 604404053 APCNOKYVAINSHG-PFHZTYADSA-N 418.401 4.354 30 40 HIEB biogenic C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC 4736369 PVCGECASBJOHHL-CYBMUJFWSA-N 415.544 4.024 30 40 HIEB N#Cc1cccc(NC(=O)Nc2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c1 5000926 CWWSJNKKZPVVDJ-UHFFFAOYSA-N 412.371 4.431 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O 5556847 OYWQZBASPHQYMB-CYBMUJFWSA-N 400.525 4.273 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ncnc3ccccc23)n(Cc2ccco2)c1C 9834431 JRPVSESFWKDYJL-UHFFFAOYSA-N 417.494 4.292 30 40 HIEB CC(C)OC(=O)CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2 17355355 NGSJBFYUOILSOB-UHFFFAOYSA-N 400.525 4.173 30 40 HIEB CCOc1nc(N)c(C#N)c(-c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1C#N 19793446 QFWXCGQZNDOCSC-UHFFFAOYSA-N 414.465 4.369 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)c3ccc(F)cc3Cl)n2)n[nH]c1=S 30688685 KHPCQMRELYQDPN-UHFFFAOYSA-N 409.899 4.219 30 40 HIEB O=[N+]([O-])c1cccc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 38182134 PNAXCPXTVKYILF-OMCISZLKSA-N 416.025 4.282 30 40 HIEB N#Cc1ccccc1N1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 58275094 BKTNUNHCVGUIKD-UHFFFAOYSA-N 423.314 4.155 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102645767 DAGRGPBEWAERFV-DLBSFMOSSA-N 403.887 4.002 30 40 HIEB C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 102771425 ZHYAMNDNASALDO-QWAWVGOFSA-N 418.474 4.093 30 40 HIEB CC(=O)Oc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1 408762596 PPRJOVKZPRPQSW-YBEGLDIGSA-N 417.284 4.266 30 40 HIEB Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)c2ccccc21 585294060 NGIKUKBWTCQNTA-OAQYLSRUSA-N 414.538 4.982 30 40 HIEB N#Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1 1644269840 HECQNSVRFYMNQE-UHFFFAOYSA-N 410.065 4.101 30 40 HIEB CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S1 5551207 BWEXQMPSZFURKF-PDGQHHTCSA-N 414.483 4.003 30 40 HIEB COc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1OCC#N 9513617 XFURDEOHYQGTOH-KRXBUXKQSA-N 419.218 4.098 30 40 HIEB N#CCCN(C(=O)COC(=O)c1ccccc1SC(F)F)c1ccc(F)cc1 12977533 UABLDMHDIXAWOD-UHFFFAOYSA-N 408.401 4.244 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 13151477 MSTZTORQVACHGQ-SDHOMARFSA-N 423.509 4.103 30 40 HIEB CCc1ccc2nc(NCCNC(=O)Nc3cccc(C(C)=O)c3)c(C#N)cc2c1 35314801 ASZVIIRVRSQLLW-UHFFFAOYSA-N 401.470 4.105 30 40 HIEB C=CCOc1cccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)c1 58883983 DZPZCRVDCLVRAJ-STZFKDTASA-N 405.450 4.137 30 40 HIEB CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1C(=O)O 408530670 NAGRWCPTORXGGH-YBEGLDIGSA-N 402.859 4.329 30 40 HIEB Oc1nc(=N/N=C/c2ccc(Br)cc2)n(-c2ccccc2)c2ccccc12 408732624 SRHNFUKPYWXTGM-OEAKJJBVSA-N 419.282 4.428 30 40 HIEB COc1cc(OC)c(/C=N/NC(=S)Nc2cccc(C)c2)cc1Br 671682 ZFYRGORQNSYADB-VXLYETTFSA-N 408.321 4.095 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1OC 1354311 OBSTYYOXJKXTBR-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB O=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@H](c2ccc(OC(F)F)cc2)N1 3190694 JRCWDBYCRVMDGX-HNNXBMFYSA-N 412.314 4.185 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4776961 YFHBNZGEOYAYIJ-YCRPNKLZSA-N 406.873 4.356 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(F)cc1 6148510 RVCLPMCIWXGBDA-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB CCNc1nc(NCC)nc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)n1 8346126 NRXRFQPJPOXALE-AFUMVMLFSA-N 400.490 4.330 30 40 HIEB O=C1/C(=C/c2ccccc2F)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 9420241 MSFKGEZFMAESSV-JAIQZWGSSA-N 414.385 4.349 30 40 HIEB CCN1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 12418928 OINRUNAPWUSPOT-UHFFFAOYSA-N 412.877 4.181 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2[C@H](C)CC)nnc1-c1ccoc1C 12984359 WLFWZKRICIUNSG-UKRRQHHQSA-N 414.535 4.319 30 40 HIEB CCOc1cc(/C=N/N=C(/N)S)cc(Br)c1OCc1ccccc1C 13470917 LUMAJUALRGQVLJ-UFFVCSGVSA-N 422.348 4.314 30 40 HIEB aggregator COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)cc1OC 13653793 XJDVPTLSFIOCGR-VUZLNAKASA-N 409.482 4.400 30 40 HIEB biogenic CC(=O)c1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2ccc(C)cc2)cc1 15551553 XHOMRWMGKNGEJK-UHFFFAOYSA-N 404.491 4.465 30 40 HIEB C=CCn1c(=S)[nH]c2cc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)ccc2c1=O 18016464 IBJKNDDKTCFNGK-LLVKDONJSA-N 401.438 4.014 30 40 HIEB C=CCn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C 36392754 ROSPIJPTBBMFKJ-UHFFFAOYSA-N 423.947 4.252 30 40 HIEB O=C(O)C(=O)/C(=C/c1ccc(Br)cc1F)c1ccc2ccccc2n1 57826138 VQRKNCQCIZECFP-NTEUORMPSA-N 400.203 4.331 30 40 HIEB C=C(C)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(=C)C 196002095 UCJOBZKBTWHHRK-UHFFFAOYSA-L 403.107 4.267 30 40 HIEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(Br)cc1OC 408595085 VOKGAEUKIWNHFQ-VXLYETTFSA-N 409.236 4.315 30 40 HIEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 409077476 FOKPBRUXRKWYBY-JYRVWZFOSA-N 414.310 4.341 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)S2)cc1 409106035 MDXROCZEZNIOJX-UYRXBGFRSA-N 403.463 4.376 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(C[C@@H]2CCCO2)c1C 9417606 GXYJIKNPFLPRTO-SFHVURJKSA-N 420.538 4.435 30 40 HIEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20673747 TZGFZURDNXPQRF-GOSISDBHSA-N 421.570 4.336 30 40 HIEB COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c(C)c1 409385037 IDLGEUHWWGHNOK-WYMPLXKRSA-N 423.421 4.411 30 40 HIEB COc1ccc(-c2c[n+](CC(=O)Nc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1 13777126 OXEIGZZFLUNTRL-UHFFFAOYSA-O 417.316 4.343 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1CC 4544656 MHIZDVYGHRLDML-LGHZWSLZSA-N 421.522 4.458 30 40 HIEB Cc1cccc(-n2cccc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 409294364 OLTHKSNCPFLKJP-UHFFFAOYSA-N 421.298 4.449 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218382716 GDWCWRWHYGOYFG-ZIFCJYIRSA-N 424.305 4.006 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCCc1ccccc1 2634404 BEANLUVCQFBPOK-UHFFFAOYSA-N 416.502 4.225 30 40 HIEB C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc(CC)cc2c1=O 3379975 HPCGJGUKXBLJRU-UHFFFAOYSA-N 404.513 4.187 30 40 HIEB Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)n1 4623842 XZDMQSHRDJVPFI-FQEVSTJZSA-N 415.405 4.081 30 40 HIEB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 8713079 WBIVDJQMSZZEFI-UHFFFAOYSA-N 421.478 4.251 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 20028890 CEKHGIBJWAYNJI-HSZRJFAPSA-N 421.585 4.369 30 40 HIEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 32971579 VLOBRYZPKMZHCS-TZGRIHPHSA-N 417.600 4.217 30 40 HIEB O=C(COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1)N1CCOCC1 409246454 IQQWGWSYOWYFCJ-NLRVBDNBSA-N 415.493 4.418 30 40 HIEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 4953730 HZFOUUWXUMDLRU-PPPMLJSVSA-N 411.527 4.338 30 40 HIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1 6386259 FIIFPVDVUMMNQF-VXLYETTFSA-N 406.305 4.128 30 40 HIEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6879705 FGTHDGKWUPPFPL-QGZVFWFLSA-N 411.461 4.368 30 40 HIEB CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 8424628 SBGWWNFOLAOJHU-UHFFFAOYSA-N 420.966 4.188 30 40 HIEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2C[C@@H]1CCCO1 9339126 IYLAZNGDGGARHL-LXKSKSEUSA-N 401.510 4.465 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2C)c1 12537398 FIDJKSXQCHSVIR-UHFFFAOYSA-N 407.495 4.024 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1OC 13424069 GVTKWFAGOJMVJN-DVCONVQISA-N 417.918 4.329 30 40 HIEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 16246331 FCSPSHFPBZIVNQ-UHFFFAOYSA-N 409.902 4.313 30 40 HIEB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)c(F)c(F)c1F 40134433 HEBZNEYEGZWYPD-UHFFFAOYSA-N 421.316 4.056 30 40 HIEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C#N)c1 225781578 JULGIGITKQKVNN-KRWDZBQOSA-N 408.498 4.431 30 40 HIEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccco1 408560695 NXAXFQRMZKNIHB-UHFFFAOYSA-N 418.522 4.210 30 40 HIEB C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 5776455 MYJRAZSUWNIBJX-TZMCWYRMSA-N 404.605 4.310 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cc(Cl)ccc1OC 6719806 RCQDKOQUOXMUQA-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 8654659 OMZNYQYYUHKPGL-HNNXBMFYSA-N 404.495 4.045 30 40 HIEB C/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2c(c1)OCCO2 9465012 GHNWWLLBQATCIM-QPSGOUHRSA-N 416.648 4.347 30 40 HIEB C=C1C[C@H]2[C@@H]3C=C(OC)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 118923524 WNAXMHYJJJYQJJ-DAHGFBLPSA-N 412.526 4.325 30 40 HIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)S1 409223268 FBMJGZDSFFTANL-UYRXBGFRSA-N 403.463 4.376 30 40 HIEB O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)O1 524729888 NFEJAYXVQDEZMF-GPMKDSKKSA-N 402.358 4.066 30 40 HIEB biogenic COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 1417474 GBCJJUWXIKOSJR-FQEVSTJZSA-N 417.469 4.027 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1c1ccccc1 2637934 MAGWHHLITARTQY-NRTINQSCSA-N 414.533 4.314 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4c(c3)OCO4)c(C)c12 12894351 ADINRHNHDXCEGJ-UHFFFAOYSA-N 421.449 4.275 30 40 HIEB biogenic COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1cccnc1)C3=O 13722697 DJSFFOORSWSRSL-JJFYIABZSA-N 400.434 4.059 30 40 HIEB O=c1[nH]c2ccccc2c2c1[C@@H](c1ccccc1)N/C(=N\c1nc3ccccc3o1)N2 22418719 YTAVILPDBNGVIJ-HXUWFJFHSA-N 407.433 4.462 30 40 HIEB O=C1C=C/C(=N\Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc21 100436355 RRGMYGFTTQALRD-DARPEHSRSA-N 403.463 4.056 30 40 HIEB Cc1nn(C)cc1/C=N/N1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102734890 KVXQXBGSDZYDGA-ZPYHNVIJSA-N 412.906 4.101 30 40 HIEB COc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)NN2c2nc(C)cc(C)n2)c1 227129574 ONJWLDRQTFUKOV-HXOBKFHXSA-N 416.481 4.162 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)SC1=S 408571320 AZVHNQZCXGZSHB-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB CCc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1354973 BMFCXISWLADKGP-UHFFFAOYSA-N 405.479 4.171 30 40 HIEB C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2sc(C)c(C)c2c1=O 2619507 NUAIGIVRDRKBDK-UHFFFAOYSA-N 401.557 4.191 30 40 HIEB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1cccs1 3362727 ISHGLBBBKKRTQI-UHFFFAOYSA-N 403.920 4.282 30 40 HIEB N#Cc1c(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)sc2c1CCCC2 6558276 CWARARFHISSKNA-VAWYXSNFSA-N 417.490 4.242 30 40 HIEB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(OC)cc1 8341161 IJKNJPVTKAVRKY-GMAHTHKFSA-N 405.498 4.285 30 40 HIEB CCOC(=O)COc1ccc(/C=C2/S/C(=N/c3ccccc3CC)N(C)C2=O)cc1 12629804 FABBRUPJPCKIOL-TWGQILOBSA-N 424.522 4.425 30 40 HIEB C=CCn1c(SCC(=O)N2CCCC2)nc2cc(-c3ccccc3)sc2c1=O 12773014 PTAKYJQZWYTSNA-UHFFFAOYSA-N 411.552 4.026 30 40 HIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 16807858 DNOGDXUZWDWUFT-UHFFFAOYSA-N 417.897 4.440 30 40 HIEB C[C@@H](NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N)c1ccccc1 18137860 UQIWXPPFYKHVPN-CYBMUJFWSA-N 419.535 4.105 30 40 HIEB CC(C)N(CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1)C(C)C 22145548 PGUBYPLPKNYBQH-HXUWFJFHSA-N 412.555 4.445 30 40 HIEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33742825 YKQQPBHLVDIYAV-UHFFFAOYSA-N 412.467 4.481 30 40 HIEB COc1ccccc1NC(=O)NCCCNc1nc2c(C)cc(C)cc2cc1C#N 35312840 HZPPMXSYTDCPCU-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N/O 100563389 IOEXOESFPUIGLA-FJGOLAJPSA-N 404.513 4.169 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1cccc(Cl)c1)[C@H]1C=C[C@H]2CC1 409144415 LCIUULJHLGSEQM-WXAOVAFWSA-N 420.896 4.450 30 40 HIEB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409208582 CQSDQFQYKOKUMC-WOJGMQOQSA-N 410.451 4.198 30 40 HIEB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O 409246113 FCWQIABHUGZXSR-BKUYFWCQSA-N 423.538 4.040 30 40 HIEB C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 409328997 BXPALPDHKCQYJA-UHFFFAOYSA-N 416.909 4.479 30 40 HIEB O=C(/C(=C/c1cc([N+](=O)[O-])ccc1O)n1cncn1)c1ccc(Cl)cc1Cl 4524216 DSEDOQXBZSDRSJ-UUASQNMZSA-N 405.197 4.080 30 40 HIEB O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 4556230 AXWSLGASPULHCK-AAJFVQQISA-N 401.437 4.233 30 40 HIEB C#CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC 4944156 LLBBOFLAFLWYFL-INIZCTEOSA-N 407.857 4.225 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc[nH]2)oc(-c2ccccc2)c1-c1ccccc1 6890256 FQFIVPZFEAQJIK-UHFFFAOYSA-N 401.451 4.334 30 40 HIEB CC(=O)CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 13755947 KAYJWWRTOBJFDC-UHFFFAOYSA-N 419.481 4.224 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 15940612 AXIMWYFDEMIPHO-KDURUIRLSA-N 412.555 4.186 30 40 HIEB Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccccc2)cc1 16741461 IUJBHGBWEWPPQZ-HXUWFJFHSA-N 423.534 4.354 30 40 HIEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)c1C#N 26419251 ZJHWEZBPHGHCDL-CQSZACIVSA-N 421.522 4.077 30 40 HIEB C=CCOc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 101313989 ZFEQTFKSWTUIGO-MRJHHRETSA-N 416.433 4.174 30 40 HIEB C=C(C)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 216236457 LLCVPGVGOZPLLQ-ZTABQDSOSA-N 423.938 4.009 30 40 HIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224841847 RMZSSMIHVSJPPN-UHFFFAOYSA-N 400.283 4.146 30 40 HIEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 409145987 PJXNQJYMROKGLD-IWHMWFFRSA-N 417.468 4.394 30 40 HIEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(OC(C)C)cc1 409365056 XFXAWUQKSHOYIH-UHFFFAOYSA-N 416.481 4.179 30 40 HIEB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C 2312687 VEWHMKRTUKTMFZ-UHFFFAOYSA-N 415.540 4.139 30 40 HIEB N#CCCN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc(F)cc1 3360830 KJAPKZRWJPZKGK-UHFFFAOYSA-N 424.288 4.214 30 40 HIEB C=CCc1ccccc1OCCn1c([C@@H]2CC(=O)N(CC=C)C2)nc2ccccc21 4385950 SBRPCRWILLOEQE-HXUWFJFHSA-N 401.510 4.346 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2F)cc1 12389377 JSILQWHOQBESMV-XCLFUZPHSA-N 406.417 4.197 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 13552801 AWNYTZUTPAMTBC-HXUWFJFHSA-N 422.412 4.304 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)cc1 13653820 GGSMOFWEZDPHKD-MNAFEPAFSA-N 407.466 4.169 30 40 HIEB biogenic Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)S2)c1 59426851 DXZDVHXZNCWWPM-VIZOYTHASA-N 403.847 4.462 30 40 HIEB C[C@H]1CC(C(=O)O)(C(=O)O)C[C@@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681925 ZRDCDISSPANBPT-NTSWFWBYSA-N 404.225 4.046 30 40 HIEB C=CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294417 VDIQEHSIIDPWCC-MRJHHRETSA-N 416.433 4.174 30 40 HIEB C=CCS[C@]1(Br)NC(c2ccc(OC)cc2)=C[C@@H](c2ccco2)N1 101320922 PDHUDWLPRZRZEY-FUHWJXTLSA-N 407.333 4.489 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(SC)cc1 409308342 XETAISSSRPUTDL-UHFFFAOYSA-N 402.317 4.326 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 4736239 FNOMROQDCCBTGX-UHFFFAOYSA-N 403.508 4.074 30 40 HIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 8112829 LWQBJYMQZZGFBW-IBGZPJMESA-N 415.898 4.167 30 40 HIEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21 9129415 QRTGTAISICODHX-IBGZPJMESA-N 420.690 4.096 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)cc1OC 13653803 HDXWJGFKVFUHGT-QZDMBBGESA-N 409.482 4.258 30 40 HIEB biogenic N#Cc1cccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 14168356 XPQBCAIOOSHFTF-UHFFFAOYSA-N 422.488 4.082 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2cc(C)ccc21 32088207 MAIXRDGYQUPGHQ-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB N#CCC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210930 JOPXFLWRYSEIRA-SNVBAGLBSA-N 406.076 4.349 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225030637 JLEBWOBAZBNCMB-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB CC(=O)Oc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1 408754989 SYWHAAAZOIALES-YBEGLDIGSA-N 417.284 4.266 30 40 HIEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c1C 408908441 CMUSPIAVKLHLRG-MTJSOVHGSA-N 409.402 4.365 30 40 HIEB CC[C@H](C)N1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccc(C)cc1 408915221 XHVBTUOSCYUVNZ-NCKRNJJQSA-N 423.538 4.262 30 40 HIEB CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)O)C3=C2C(=O)CCC3)cc1 409068243 ICVZDEXLVXUMLC-UHFFFAOYSA-N 423.509 4.364 30 40 HIEB Cc1cc(C)cc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c1 1354983 GPWNXSLLQCVEEP-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB CCN1C(C(=O)c2ccccc2)=C(NCc2ccccc2)c2ccccc2S1(=O)=O 2298765 ZBFBIOYPOZAGEJ-UHFFFAOYSA-N 418.518 4.052 30 40 HIEB CCc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2)cc1 2360532 QXYKOHIQMRCVCF-MRXNPFEDSA-N 404.392 4.212 30 40 HIEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2ccc(Cl)cc2c1=O 3370017 BYOKAFNXPHZGQW-UHFFFAOYSA-N 400.887 4.315 30 40 HIEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCC(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 4084966 FQUGTMQIPAOEGK-YYDHDOSDSA-N 423.597 4.468 30 40 HIEB biogenic CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)n1 4423988 AWSHQSMOIRAHTL-MFKUBSTISA-N 420.513 4.455 30 40 HIEB O=C1Nc2ccc(Br)cc2/C1=C1/S/C(=N/c2ccc(O)cc2)N=C1O 12032316 YPGNQEYURCOWNC-YPKPFQOOSA-N 416.256 4.209 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 12407378 XFKLBKDCJYFOQF-VFNWGFHPSA-N 418.453 4.066 30 40 HIEB COc1ccc(/C=N\OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OCc1ccccc1 34847120 OSIAUXOIMZDKIN-UDHVIVJUSA-N 410.514 4.414 30 40 HIEB C[C@@H](/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 89518724 LAQHTQDSSLYXKO-LBPRGKRZSA-N 401.315 4.159 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)o1 102797571 NFVPJDRSKUCWOY-LFVOPCPISA-N 408.841 4.258 30 40 HIEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCc1ccc(F)cc1 408872946 LQHYEKQCPMKYQY-WSDLNYQXSA-N 400.479 4.128 30 40 HIEB COc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1O 409289927 PTYCJOKMKLYMNW-UHFFFAOYSA-N 411.417 4.406 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)ccc1OCc1ccccc1F 409354425 FHVLFZKPQQLGQX-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)c1 815919 LGTHLNMURRWVPX-PRPYNDMISA-N 406.482 4.316 30 40 HIEB COc1ccc(N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)cc1 8614892 MRWXDKZCEPSJRY-NYYWCZLTSA-N 404.445 4.191 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 9109960 DZRNHSXEQXKIEW-HXUWFJFHSA-N 416.389 4.083 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 9530784 XTNZCJUENVESKG-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 10587783 GZAKAPQNWRYXMQ-KRWDZBQOSA-N 424.472 4.293 30 40 HIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20731364 SWQZHKMAKXOPDQ-QFIPXVFZSA-N 404.857 4.336 30 40 HIEB CC(=O)Nc1ccc(CC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1 40146403 POOUUYYAHLFTFI-UHFFFAOYSA-N 415.468 4.427 30 40 HIEB C[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CCN(c2ccccc2)CC1 101513974 HMVFVFJRYNLXNK-KRWDZBQOSA-N 421.932 4.489 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 103356489 MMURDXBMNQFPOY-GRDNDAEWSA-N 419.978 4.269 30 40 HIEB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1ccc(OCC(F)(F)F)nc1 103483187 CZQDLSJXNHIPSS-AWEZNQCLSA-N 401.344 4.018 30 40 HIEB CCN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(=O)(=O)c1ccccc1 224358220 MUNFCTGWDFJCBN-UHFFFAOYSA-N 419.506 4.220 30 40 HIEB C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Br)c1 224876062 DJALNGJIIOTBLH-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB O=S(=O)(NCc1ccc(/C=N/c2ccccc2)o1)c1ccc(Br)cc1 408772958 NSODZYHNHQAEGK-UDWIEESQSA-N 419.300 4.271 30 40 HIEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 2396000 WVSDPBMRQIYJFH-CEXWTWQISA-N 424.545 4.364 30 40 HIEB COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 6830988 KXYAINKSTXPFBA-ZDUSSCGKSA-N 417.560 4.114 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccccc1 13684428 VBOOKPPNIPAALX-UHFFFAOYSA-N 424.522 4.385 30 40 HIEB COC(=O)c1c(/C=C/C(=O)c2ccc(Br)cc2)ccc(OC)c1OC 16740769 CODDVVUCNXBCMR-UXBLZVDNSA-N 405.244 4.149 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(OCC(=O)O)cc1)OCO3 18197508 RRRGSXXYNZRUTE-JOCHJYFZSA-N 421.449 4.079 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC 59105918 CRQXOZRWWOVKKD-GZTJUZNOSA-N 416.861 4.391 30 40 HIEB C=CCN1CCN(C(=O)C2CCC2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 72391053 USXHQUGMGPCTDO-QFIPXVFZSA-N 420.528 4.308 30 40 HIEB N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cnn(-c2ccccc2)c1 89823054 BNJUJWFFDLEQSL-QHCPKHFHSA-N 421.460 4.119 30 40 HIEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC 408984428 QWJLWMJPTUAQPN-HKWRFOASSA-N 404.466 4.043 30 40 HIEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4[C@H](C[C@]3(C)O)O[C@H](O)[C@@]43O[C@H]3C[C@@H]12 1772591281 QYDMROXJZOKPRP-KMWVUQOCSA-N 404.591 4.437 30 40 HIEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 4957061 JQMMNYZAOBYFHP-JJGJMRCDSA-N 415.490 4.087 30 40 HIEB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(C#N)c1)CC2 8271346 RWXPDBLZTCYJKQ-QFIPXVFZSA-N 404.491 4.425 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(OC)c2)cc1 12408422 GKFMTDLMGJYULE-YCRPNKLZSA-N 418.453 4.066 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 20171407 QIINVWKDVILMOE-JOCHJYFZSA-N 422.525 4.005 30 40 HIEB COC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C 33615979 YJGNOCWKDLGKPA-UHFFFAOYSA-N 411.395 4.135 30 40 HIEB CC(C)c1ccc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)c(C#N)cc2c1 35311841 UBSXDHKEAIOOCU-UHFFFAOYSA-N 419.506 4.367 30 40 HIEB COc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 100539324 AQEXSXNFGRHZJX-JOCHJYFZSA-N 424.541 4.017 30 40 HIEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 100765944 MNUGOMCEASOBHK-NHCUHLMSSA-N 409.526 4.283 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 102929599 PGQFWJPXDANGEO-YDJIHCHBSA-N 418.405 4.118 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1OC 408768355 IDVDZALDDYTIJY-ZHZULCJRSA-N 419.477 4.446 30 40 HIEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OCc1cccc(C(=O)O)c1 408820114 VFGPYGBDWLAXQH-MSXFZWOLSA-N 405.406 4.452 30 40 HIEB CCn1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CCOC)C2=O)c1C 409095469 CRTVLNUESAWONA-HNNYNVTISA-N 413.543 4.384 30 40 HIEB COc1cc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)cc(OC)c1OC 2086537 ULBVQDPEZFNSSG-MHWRWJLKSA-N 404.875 4.257 30 40 HIEB CCN(CC)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c(O)c1 4675043 XVKLZXSQQCLCRP-MTJSOVHGSA-N 401.923 4.321 30 40 HIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=S)Nc1ccccc1[N+](=O)[O-] 4871932 KENSBQIEFQBKFF-RGVLZGJSSA-N 414.878 4.063 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 6594450 NWQKZCPIWURFCL-AUEPDCJTSA-N 407.326 4.262 30 40 HIEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)Cc1ccc(C(F)(F)F)cc1 6662647 KZVHICBGPDNUKJ-UNOMPAQXSA-N 403.400 4.165 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc21 9166941 SHPXWGDCKPXIOX-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB C=CCC1=C[C@](OC)(/C(C)=C/c2cc(OC)c(OC)c(OC)c2)C(OC)=CC1=O 14658197 LNCSXXRCEFAYFK-VOCPSOEZSA-N 400.471 4.116 30 40 HIEB biogenic,in-vitro O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 18199757 CWDCOANPEPCYPJ-KKSFZXQISA-N 424.460 4.112 30 40 HIEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2nc1N 20065536 ROXCYIXPXBOEDS-UHFFFAOYSA-N 411.796 4.257 30 40 HIEB Cc1n[nH]c(=S)n1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 45926786 MXUYLJTZVHXRRW-VXLYETTFSA-N 403.305 4.473 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 102802667 QYZXACNRGFYVIE-MRJHHRETSA-N 403.409 4.461 30 40 HIEB COc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)c(OC)c1 408752959 MOXVOKUYDDGISE-FRKPEAEDSA-N 419.846 4.157 30 40 HIEB Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)S2)c1 408930896 DMXLEJBCKYGIQH-UYRXBGFRSA-N 403.463 4.376 30 40 HIEB CCOc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1 409279242 HBHCRKDMIQXBCI-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB CC(C)c1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n(Cc2ccccc2)n1 1563010701 AZQIBWUOUPNOCJ-UHFFFAOYSA-N 415.497 4.222 30 40 HIEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5429355 XNPLXHJDMLCGMR-WIWNTQSISA-N 406.265 4.245 30 40 HIEB N#Cc1ccccc1COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 13141692 XRZKJIZYZALWGN-UHFFFAOYSA-N 416.820 4.369 30 40 HIEB COc1cccc(NC(=O)C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c1 13779060 BTLAYKDQUVMCTK-UHFFFAOYSA-O 417.316 4.343 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1c(O)n[nH]c1N2 18196414 ZMBUTDGWRHUHIM-QFYYESIMSA-N 408.439 4.043 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1ccncc1 19999116 OFWWCFZVAKLZEU-QFIPXVFZSA-N 421.541 4.009 30 40 HIEB N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1 32682208 NCPLCZKQXIXGTD-GOSISDBHSA-N 411.870 4.026 30 40 HIEB CCOc1cc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)cc(Br)c1O 95412797 BDYIHTWBEGJVDN-CMDGGOBGSA-N 414.259 4.030 30 40 HIEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 224109019 JIIOCXMWOUZSER-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225006151 YDOLFZSAOILWKE-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB CSc1ncc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)cn1 585294511 HHNZVRAZMFQKPO-UHFFFAOYSA-N 423.571 4.045 30 40 HIEB C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@@H]2c3ccccc3O[C@]13CCCC[C@H]23 4041863 HCKWLIFVKPDIEV-NCAYHCJHSA-N 402.494 4.332 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 4103408 KGISDRAVHYRWIC-KRWDZBQOSA-N 410.451 4.226 30 40 HIEB CC1=CC(=O)C=C/C1=N\Oc1cc(Br)c(N=O)c(Br)c1 6668002 ZQQPTXFVZKWRGG-SFQUDFHCSA-N 400.026 4.430 30 40 HIEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cccnc1Oc1ccccc1 6755465 NGTAJFCPDCDLGQ-PGMHBOJBSA-N 414.461 4.405 30 40 HIEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 6982288 JNBBVTHOMXLZML-HYARGMPZSA-N 416.503 4.126 30 40 HIEB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C#N)c(C)c1C 7188888 YHSYYPZJSAWKMD-HNNXBMFYSA-N 408.527 4.123 30 40 HIEB N#CCC[C@@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7203544 OCRKQGYKIKCBIF-AWEZNQCLSA-N 406.536 4.472 30 40 HIEB Cc1cccc(/C=C/C(=O)c2cc(Br)cc(Br)c(=O)c2O)c1 8397926 CWWYYQVEMJZDJJ-AATRIKPKSA-N 424.088 4.482 30 40 HIEB COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)c(OC)c1 13682783 SLGJVMMDUPMSFS-NHDPSOOVSA-N 405.406 4.270 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1ccco1 20503256 HJNKOSYASXICPJ-XMMPIXPASA-N 417.465 4.169 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC 40157301 RLROHTDPEIZXAZ-YGGPNUISSA-N 421.493 4.312 30 40 HIEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)S1 59247824 SQFQQDBFWKKVHV-AXIYWZQUSA-N 416.886 4.392 30 40 HIEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC)CC1 257321614 WCJPUTHYXSTNHI-UHFFFAOYSA-N 408.517 4.356 30 40 HIEB S=C(NCc1ccccc1)NN=Cc1ccc(OCCOc2ccccc2)cc1 6223178 CRSNXISKHSIFMT-UHFFFAOYSA-N 405.523 4.143 30 40 HIEB C=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 9050592 FCUXEZFZYQBZCJ-UHFFFAOYSA-N 412.433 4.041 30 40 HIEB O=C1N/C(=N\c2ccc(C(=O)O)cc2)S/C1=C\c1cccc(Br)c1 16936509 ZQRKOCQTTMGRMC-ZROIWOOFSA-N 403.257 4.039 30 40 HIEB COc1ccc(CN/N=C/c2ccccc2OCc2cccc(C#N)c2)cc1OC 20196305 GMCSMYHHNGCCQQ-JVWAILMASA-N 401.466 4.278 30 40 HIEB Cc1ccc(CS(=O)(=O)c2nnc(/N=C(\O)c3ccc(Cl)cc3)s2)cc1 27663823 ROUXYPYOIKEHKZ-UHFFFAOYSA-N 407.904 4.110 30 40 HIEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226326261 WICVIZFVRJZJKX-UHFFFAOYSA-N 409.663 4.480 30 40 HIEB CCC(=O)NC1=C(Nc2ccc(SC(F)F)cc2)C(=O)c2ccccc2C1=O 5523917 KCAARAHZCSDMPN-UHFFFAOYSA-N 402.422 4.230 30 40 HIEB C=CCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 6293440 OAZDDJBNSWGICI-UHFFFAOYSA-N 405.445 4.498 30 40 HIEB N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1 8297497 IQJXOCFIDDLWKM-GHTZIAJQSA-N 401.510 4.027 30 40 HIEB biogenic,in-vitro C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1c[nH]c2ccccc12 15012108 HOBXQDZIPZFMNJ-OGLMXYFKSA-N 418.549 4.170 30 40 HIEB O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1)N1CCCCC1 15227847 WVOFCMVCLCSVSS-DEDYPNTBSA-N 416.528 4.024 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c2C#N)C1 16047953 WOCQXZUMZKKUTJ-GFCCVEGCSA-N 422.959 4.200 30 40 HIEB Cc1ccc(NC(=O)/C(Cc2cc(=O)oc3cc(O)ccc23)=N\NC(C)(C)C)cc1C 17216593 JALQXZMZIVLIJV-QOMWVZHYSA-N 421.497 4.041 30 40 HIEB CCOc1ccc2nc(NCCNC(=S)Nc3cccc(C)c3)c(C#N)cc2c1 35311781 VCZMSGXHXNVHNH-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 102520881 NPKMDOCTOCCWQD-JBCNATCCSA-N 402.425 4.151 30 40 HIEB C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224880011 NCOHEIUQFMPRLE-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(OCc4ccccc4)nc3)C2)c(F)c1 1516719427 RVKSKNZNMGAGMQ-LJQANCHMSA-N 416.456 4.136 30 40 HIEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O 2075957 CUVOUHXXDTVHJD-MHWRWJLKSA-N 404.388 4.073 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 2633917 AUGQYROHIODRAA-UHFFFAOYSA-N 405.527 4.138 30 40 HIEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C#N)cc3F)c2)c(F)c1 4733332 ZMOWLRWFLHICTK-UHFFFAOYSA-N 402.360 4.213 30 40 HIEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)cc1 5564194 FSMZRTZFLOVYRV-MOBKVPTQSA-N 406.526 4.149 30 40 HIEB CC1=CC(=N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)C=C(C)C1=O 26787070 XUDVNYWSKLCVRF-DARPEHSRSA-N 412.898 4.392 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@H]12 61997011 FZFNSVTYWBAPRB-VPQQHZGJSA-N 412.549 4.262 30 40 HIEB biogenic COc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3O)C(=O)N2C)cc1 97466879 DEBSUTWVPDQIKN-NIQTYAIASA-N 419.300 4.397 30 40 HIEB COc1cc(/C=N\c2ccc(N3CCOCC3)cc2)cc(Br)c1OC 101473920 XIWZYGMAGUORDT-BKUYFWCQSA-N 405.292 4.054 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102648902 RBYWEWXYPCHRBH-MRJHHRETSA-N 402.425 4.151 30 40 HIEB COc1ccccc1OCc1nc(SCc2ccccc2Cl)nc(N)c1C#N 223690994 JSYITFCVGMACRA-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)SC1=S 408543146 PNELQXMMXCCGCK-ZDLGFXPLSA-N 424.503 4.368 30 40 HIEB COc1cc(Br)cc(-c2c(-c3ccc(C)cc3)cnc(N)c2C#N)c1O 408821588 JFBVSAFYYJVHAB-UHFFFAOYSA-N 410.271 4.655 30 40 HIEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCc1ccccc1 409093146 YGNJZDXDXPTMCP-DEDYPNTBSA-N 422.506 4.109 30 40 HIEB N#CCn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1102964 OOGIFXOMKGGFAM-YBFXNURJSA-N 418.434 4.310 30 40 HIEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc12 1127035 ONOKTFYAQLOIIC-VYALMSHHSA-N 401.466 4.399 30 40 HIEB CCOc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1 1354995 PSNDUDBFBXTOBA-UHFFFAOYSA-N 421.478 4.007 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3C)CC2)=NC1=O 2072247 QREKHRUICBPWOQ-XLNRJJMWSA-N 419.550 4.352 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(F)cc1 4736241 YJVFNOBTPQIAIS-LBPRGKRZSA-N 403.508 4.154 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OCC 4993027 DBDRKGMNPBBFAU-OAQYLSRUSA-N 419.477 4.225 30 40 HIEB COc1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1OC 8820736 HRJSJBOVNVLRGP-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB O=C(CO/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 33498420 WOCPECSKCWCFNL-UCQKPKSFSA-N 405.410 4.163 30 40 HIEB COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(NC(=O)CC(C)C)c1 48355071 WVHJHUGHCJZQFU-UHFFFAOYSA-N 423.513 4.027 30 40 HIEB C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 60163534 IJBQFFSRHDZDOE-XMMPIXPASA-N 414.480 4.349 30 40 HIEB Cc1nc2c(c(=O)o1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)O2 72408132 SBYRMWMCFOFPJJ-OAHLLOKOSA-N 416.271 4.273 30 40 HIEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 100056046 XEAGZKIDXUXCFE-CIAFOILYSA-N 416.300 4.396 30 40 HIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cn(-c3ccccc3C)nc2-c2ccccc2)C(=O)O1 102500549 CXWYBTCPRCXKBD-OTOIZHKDSA-N 412.445 4.076 30 40 HIEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 934465 JHLICAGJXXRYAK-HNNXBMFYSA-N 415.833 4.114 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 1506018 FTDSEZIAMKBRFG-NFJKTXFASA-N 413.860 4.090 30 40 HIEB biogenic C=CCNC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCC2 5638987 XNAXJLQODKTJOJ-UHFFFAOYSA-N 404.919 4.214 30 40 HIEB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2CC(C)C)cc1 8232097 UANXGHKPVBWROF-UHFFFAOYSA-N 421.526 4.212 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)c1 8740649 UIGLMZGRBMUYBF-FQEVSTJZSA-N 404.397 4.012 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c1 18036710 LLHFLLSTSHSUBP-HXUWFJFHSA-N 412.917 4.097 30 40 HIEB O=C(NCc1ccc(/C=N/c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1 408879559 BUOQRHNIIPGYJN-BRJLIKDPSA-N 415.371 4.304 30 40 HIEB C#CCOc1ccccc1/C=N/n1c(CCC)nc2ccc(Br)cc2c1=O 1531235996 LAGUZCDZNOEPDP-OEAKJJBVSA-N 424.298 4.006 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 2329363 MZMQTILLIMZVRO-MTJSOVHGSA-N 418.376 4.448 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1c(OC)cccc1OC 4943739 HAOPGYOBWIUPDD-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 6015186 SNUNIUSLSOLNJN-QFIPXVFZSA-N 423.509 4.433 30 40 HIEB N#C[C@@H](c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl 6662730 ZNAMNHGEHUMSTG-CQSZACIVSA-N 410.861 4.349 30 40 HIEB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 6790477 HNGNBJYKIJFJLR-VAWYXSNFSA-N 410.495 4.092 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C(=O)OC)cc1 8363733 GTZSHDNGVPFSFC-NMSSZPRHSA-N 410.495 4.414 30 40 HIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 8991115 SRCBYUDSMFEUCT-XACIZNRCSA-N 417.255 4.396 30 40 HIEB C#CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 19804585 MWGCXBLVVMLKLY-HXUWFJFHSA-N 419.864 4.093 30 40 HIEB N#Cc1ccccc1-c1ccc(COC(=O)CCCn2cnc3ccccc3c2=O)cc1 23497117 LWMNKURUYLACSL-UHFFFAOYSA-N 423.472 4.459 30 40 HIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cc(OC)c1O 100765449 XZXGIGKXBWXAJW-WOJBJXKFSA-N 409.526 4.153 30 40 HIEB CCCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102698583 AORZISBGWMBMDH-YDJIHCHBSA-N 422.437 4.300 30 40 HIEB CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409079679 KXYDXWUCOSIPJD-PXNMLYILSA-N 415.829 4.332 30 40 HIEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c(OC)c1OC 4944884 PYDPBLLKHMRXFO-KRWDZBQOSA-N 407.466 4.240 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccncc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2 5932380 UJUAAOTZEIVVOF-SFHVURJKSA-N 416.506 4.022 30 40 HIEB N#Cc1c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)sc2c1CCCCC2 6101896 NAYYVWVNLLXQJD-UHFFFAOYSA-N 415.569 4.466 30 40 HIEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 6275372 VKAFXTKIXYZYAN-ULJHMMPZSA-N 413.543 4.216 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1)c1ccccc1 6445943 KGWCWIFRWNGFDG-HSZRJFAPSA-N 423.472 4.384 30 40 HIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 6960594 DTCLEFYOMKTSIR-FQEVSTJZSA-N 413.470 4.043 30 40 HIEB C#CC(CC)(CC)NC(=O)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 7942529 BVPINQRYOBQRDO-UHFFFAOYSA-N 409.486 4.109 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@@H]4CCCc5ccccc54)CC3=O)n2)cc1 8992162 FQZKHPGECNLYPP-HXUWFJFHSA-N 417.534 4.408 30 40 HIEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC 18196818 IUQXAYANGKCLRJ-OAQYLSRUSA-N 409.438 4.006 30 40 HIEB C#Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 40145311 SYDCGLHXFNFJRX-UHFFFAOYSA-N 423.266 4.457 30 40 HIEB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 224118304 ULFARPSYJFVOKN-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 409188692 JZKJOXJJLMQINE-XDHOZWIPSA-N 410.445 4.054 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/c1ccc(C)cc1 3249451 OIHGJAXRAVVLHC-XMVGPFMNSA-N 421.522 4.344 30 40 HIEB CN1C(C(=O)c2ccccc2)=C(OCc2ccccc2)c2ccccc2S1(=O)=O 5322649 YMAQTJDEMYQPKC-UHFFFAOYSA-N 405.475 4.089 30 40 HIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc2c(c1)n(C)c(=O)n2C 5333607 XTYWVVZJQJOCRE-UHFFFAOYSA-N 410.481 4.164 30 40 HIEB Cc1ccc(C[C@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1C 5546261 RUFUEPSZSOOFLB-DAMKXSJNSA-N 418.522 4.368 30 40 HIEB Cc1c(/C=N/c2cc(Br)ccn2)c(O)n2c(nc3ccccc32)c1C#N 5881561 GKSQAJIBNKPPQV-AUEPDCJTSA-N 406.243 4.281 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 7616926 GNOGXLQRJZWMEB-UHFFFAOYSA-N 418.526 4.022 30 40 HIEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccccc2F)C1=O 9846288 YNQJRFSBPWKJGR-PSKGEBOYSA-N 422.840 4.438 30 40 HIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC 12323404 CPKRKWKPOREKEX-ZMZPIMSZSA-N 424.482 4.128 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1OC 24672031 HICFVSPZBQYKKS-QFIPXVFZSA-N 416.562 4.272 30 40 HIEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@H](c1ccco1)N1CCOCC1 27795055 NBBUNBFPLLPMFU-OAQYLSRUSA-N 414.465 4.445 30 40 HIEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c1[N+](=O)[O-] 33783946 MQNWCRCTCWPFBC-VQHVLOKHSA-N 419.393 4.346 30 40 HIEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1nccs1 409364498 XQFJEIPMLZQOIZ-UHFFFAOYSA-N 417.585 4.085 30 40 HIEB C=C(C)Cn1c(SCC(=O)OCCCCC)nc2sc3c(c2c1=O)CCC3 2183140 LRFZGXXNPJXPKX-UHFFFAOYSA-N 406.573 4.348 30 40 HIEB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NC(C)(C)C 2743027 WPWLAIWWRBCJED-UHFFFAOYSA-N 409.559 4.236 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 4311391 HXLOPFIETIOLAD-OAQYLSRUSA-N 403.434 4.375 30 40 HIEB O=C1Nc2ccc(Br)cc2/C1=N/N=C1\CCCc2c1[nH]c1ccccc21 4834087 VDYQIVQTHLARIT-JJIBRWJFSA-N 407.271 4.412 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc(Nc3ccccc3)s2)sc2c1CCC2 6559648 ZNEHFMUAQQXFLO-UHFFFAOYSA-N 413.553 4.434 30 40 HIEB C=CCc1ccccc1OCc1cc(=O)n2nc(-c3ccc(OC)cc3)sc2n1 20858982 HFXSABBHABRVAH-UHFFFAOYSA-N 405.479 4.134 30 40 HIEB N#Cc1ccccc1NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 22197555 MQDXUTQSHMNBSA-UHFFFAOYSA-N 424.548 4.294 30 40 HIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(C)nc4ncnn34)c2C#N)C1 36619130 LRMMYUWTTFMMCS-CYBMUJFWSA-N 408.531 4.159 30 40 HIEB COc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccccc2)c1 44858872 ZZJBMTQPPXRKSW-JOCHJYFZSA-N 414.465 4.166 30 40 HIEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1O 59502975 KPUKRYWWTYPWFT-OEAKJJBVSA-N 413.441 4.216 30 40 HIEB Cc1cc(N/N=C2/C(=O)Nc3ccc(Br)cc32)ccc1Br 63845332 ZISPYWVMLNDUCV-UHFFFAOYSA-N 409.081 4.288 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408811120 KEJHGPPZHFCSRJ-QGOAFFKASA-N 410.857 4.134 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)S2)cc1 408966172 NFBMZLQCSSMCCH-CPNJWEJPSA-N 404.495 4.389 30 40 HIEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 409047952 QDFKQCINRRPWBG-OEAKJJBVSA-N 405.410 4.372 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(C)s2)C1=O 409058098 RFCKZQJEVGQKMW-WJDWOHSUSA-N 413.520 4.226 30 40 HIEB CN(C)/C=N/c1sc2c(c1C#N)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 4073509 ZOXBHXLEQXUXRT-PGGKNCGUSA-N 413.856 4.471 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c1 4849037 WNUCDOXCTIODMI-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)cc1 6787157 HULXTBQLPSEMKE-LJQANCHMSA-N 401.561 4.306 30 40 HIEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1OCC 8451876 DPAJCAIQGNCRFS-BRBBDLJVSA-N 422.506 4.340 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716715 DBKIDDKAARPAFT-OAQYLSRUSA-N 416.543 4.052 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)cc2)cc1 16700797 JEIARKPWAXJFEA-OAQYLSRUSA-N 409.482 4.009 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2ccccc2)cc1OC 18197681 WGTYVOTYSDMBQK-YWZLYKJASA-N 417.465 4.091 30 40 HIEB C[C@@](CO)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCCC1 72313602 PAGXJNXUPCWZGT-DEOSSOPVSA-N 420.513 4.263 30 40 HIEB O=C1C(=O)N(c2cccc(C(=O)O)c2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102878027 UBTNXCWBQRHOMO-YDJIHCHBSA-N 417.392 4.150 30 40 HIEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 408760871 GOTAECPJHDOWQI-FCQRQVBFSA-N 406.294 4.068 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 409409486 VPDWATYBCXAIKX-GNTOHDJUSA-N 401.249 4.394 30 40 HIEB Cc1sc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)c(C#N)c1C 1223185 SPIIRXHBOJXPIP-UHFFFAOYSA-N 407.524 4.472 30 40 HIEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2O)cc1 2223210 KFLKTVNJBFCCJQ-VXLYETTFSA-N 419.304 4.357 30 40 HIEB CCCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 2257450 YVIQWNXJXUTOHP-UHFFFAOYSA-N 420.966 4.339 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccco4)nc3c1[C@@H]2c1ccco1 5347292 PRJLLFMOIBUKBC-QGZVFWFLSA-N 402.410 4.145 30 40 HIEB CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 5525339 SKHJJRMPSLMBBR-HNNXBMFYSA-N 408.310 4.266 30 40 HIEB CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1O 5801167 NFEVHCPQFZFGEF-YDZHTSKRSA-N 418.409 4.470 30 40 HIEB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(C#N)cc1Cl 7857752 RZLHGQWBQYEVFS-UHFFFAOYSA-N 416.890 4.141 30 40 HIEB COc1ccc(C(=O)/N=C2/N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 13306022 YRYXNDJQKVMVRV-HIXSDJFHSA-N 422.282 4.302 30 40 HIEB C=CCOc1ccc(C(=O)N2CCO[C@H](c3cc4ccccc4cn3)C2)cc1OC 19550206 GZIREHLUTBXZIA-QHCPKHFHSA-N 404.466 4.022 30 40 HIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 20973810 PWBUNDWRRIFMQK-ZDUSSCGKSA-N 410.465 4.446 30 40 HIEB C/N=C1/S/C(=C\c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N1C 59105093 FLLPVANQUGNUSR-TXZCWDHISA-N 404.333 4.389 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1C 103786151 GUIYNSUCQRIVOU-GLEDVZQVSA-N 424.482 4.050 30 40 HIEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408879450 GHNFXYLLHSEMTR-VXLYETTFSA-N 411.330 4.426 30 40 HIEB O=C(O)c1ccc(Cl)c(/N=C/c2ccc(O)c(I)c2)c1 408962873 KTIJQUXAXSWPBN-REZTVBANSA-N 401.587 4.099 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 2620460 HTUDDZPBEWJFLJ-UHFFFAOYSA-N 420.325 4.384 30 40 HIEB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 9477410 GMTQPRDXKVTATL-OAQYLSRUSA-N 418.522 4.004 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 13654487 PQNULEWZBCSFOT-ZOJNTWNKSA-N 421.493 4.273 30 40 HIEB Cc1ccc([S@@](C)(=O)=N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)cc1 16158831 NNWLDNMONHJSRI-MLPQPIHFSA-N 401.431 4.411 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 16732448 QFOYKUIBJIQMIW-IRLDBZIGSA-N 419.477 4.009 30 40 HIEB COc1cc(CN(C)c2ncc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1 32808511 CODHHVKKZTVHJP-UHFFFAOYSA-N 404.426 4.085 30 40 HIEB COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1O 34105422 BHDIERXOFSTGDJ-WSDLNYQXSA-N 404.382 4.080 30 40 HIEB CCOc1ccc(S(=O)(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 35223574 TVQDTDRDHPFHTJ-HHUUSFLGSA-N 422.506 4.292 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Br)c(O)cc3O)S2)c(C)c1 59459406 BKPQAHLQXNUJSJ-APSNUPSMSA-N 419.300 4.369 30 40 HIEB C=CCOc1cccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c1 409281031 MVOAJPPGEWBALD-UHFFFAOYSA-N 412.287 4.168 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 409358189 KOEYCQJLJQGUPG-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 20648057 HUZRBXNOYRQFPJ-XKZIYDEJSA-N 402.425 4.232 30 40 HIEB COC(=O)/C=C1/S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O 101379928 YPHGHPLQJRGKDW-BBWXTVSKSA-N 405.479 4.030 30 40 HIEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 4173425 LUOPWOJMGFWLNE-UHFFFAOYSA-N 406.507 4.455 30 40 HIEB COc1ccc(/C=C2\N=C(SCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9501617 KQAYBIVJHSRIEY-ATVHPVEESA-N 415.421 4.297 30 40 HIEB CCOc1ccc([C@@H](NC(=O)COc2ccc(CC#N)cc2)C(C)C)cc1OCC 53309684 ODURTRVLJLXLNU-DEOSSOPVSA-N 410.514 4.442 30 40 HIEB COc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1 100822160 VXABOCGDPOQZQE-DAFNUICNSA-N 418.474 4.066 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccccc3Cl)cc1)[C@H]1C=C[C@H]2C1 104692815 NYKIABUGZIZMNI-AJPRLUCXSA-N 406.869 4.060 30 40 HIEB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2n1CCC#N 12602505 QLDBEXZBGDGVSC-ZDUSSCGKSA-N 410.465 4.231 30 40 HIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)cc1F 2217265 LKINCZKFHDJNFA-UHFFFAOYSA-N 406.483 4.125 30 40 HIEB COc1ccc(CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1OC 13689859 SJVSSLJAGYOEIL-UHFFFAOYSA-N 407.470 4.206 30 40 HIEB COc1ccc(-c2cnc(N3N=C(C)/C(=N/Nc4ccccc4OC)C3=O)s2)cc1 13942233 GZHPYKMIAKFVPO-CLCOLTQESA-N 421.482 4.018 30 40 HIEB C=CCN(C(=O)CSc1nnc(C)n1C1CC1)c1nc(-c2ccccc2)cs1 7617703 PTZGXSFLDCXLOM-UHFFFAOYSA-N 411.556 4.356 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1cccc(F)c1 19787697 JRRWJPZUJHXWQB-SJNBJEQYSA-N 422.500 4.145 30 40 HIEB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C#N)c4)ccn3n2)cc1Cl 72329617 IQDWRQMAPIAGQY-UHFFFAOYSA-N 404.857 4.135 30 40 HIEB CC(=O)Nc1cccc(-n2c(SCCOc3ccc(C#N)cc3)nnc2C2CC2)c1 43751309 AYLCIRFXAPPWSJ-UHFFFAOYSA-N 419.510 4.146 30 40 HIEB C=CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 6304054 JKKCKDBGPCYAOJ-PDGQHHTCSA-N 405.841 4.147 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)c1nc(C#N)c(C#N)nc12 4727522 UHCNCMWTVUSMPA-RNODOKPDSA-N 411.387 4.032 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 9166776 AMVYRMPFQVHBLS-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 13939689 MGRSMAAWAVRUOE-MOSHPQCFSA-N 411.454 4.473 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19972807 IABVJLGSZSZKSY-JOCHJYFZSA-N 402.494 4.429 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)no1 102530122 CYPXKHXWWYJNDO-SELCWUDQSA-N 412.804 4.402 30 40 HIEB COc1c(O)ccc(/C=N/c2ccc3c(c2)C(=O)Nc2ccccc2O3)c1[N+](=O)[O-] 104739937 MJPPYJKAZVWCBL-SSDVNMTOSA-N 405.366 4.418 30 40 HIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 107465234 IUXQGNPPYUKQIR-XJIUQZFPSA-N 408.340 4.152 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408872087 KFLWSWKKRGHUDC-LGMDPLHJSA-N 410.857 4.134 30 40 HIEB O=C(Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1 409100011 PEBXYGATLUMFQY-ZMOGYAJESA-N 414.425 4.029 30 40 HIEB Cc1c(Cl)cccc1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409404582 DUNZNTVKDXLGER-SNHGZMDHSA-N 407.901 4.197 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 2618389 WCGFVNMNUVKMAD-UHFFFAOYSA-N 401.491 4.467 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 5491273 LMXPZIHWAYOCLK-YOEHRIQHSA-N 403.887 4.159 30 40 HIEB CC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 6763790 JAPNLOKHOPLFKB-KRWDZBQOSA-N 405.863 4.232 30 40 HIEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 6856056 LNJWKMDYRDLWBU-UHFFFAOYSA-N 400.478 4.476 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 12881163 ARYDPXCLLLRKHT-IUSCBXDMSA-N 423.597 4.370 30 40 HIEB biogenic CCN1C(=O)C[C@@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 13551710 XELWHAWRINIOTD-DVCONVQISA-N 417.918 4.329 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1F 16732947 JIKLXRPYHODEAT-NRFANRHFSA-N 418.424 4.013 30 40 HIEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@H](c1ccccc1)C2 17087395 JWNVSQZZZYZRNF-SZMVWBNQSA-N 406.507 4.498 30 40 HIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196285 AOQIILXAEICVTE-VVVCHXIZSA-N 418.309 4.457 30 40 HIEB COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1OC 32984110 IYOBUGRDFVNXEA-UHFFFAOYSA-N 421.474 4.354 30 40 HIEB C#CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1Br 33655518 SIHQOJWHDKZZMI-NHDPSOOVSA-N 421.678 4.104 30 40 HIEB CC(C)c1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1 35288922 UBQIJXUPYCQCIB-UHFFFAOYSA-N 416.506 4.307 30 40 HIEB COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)c1 57165578 YVFIBARHHXVGKG-SSDVNMTOSA-N 414.461 4.367 30 40 HIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc(NC(=O)C(C)C)c1)=C2 62001322 FFPYRGGOTFFQHT-UHFFFAOYSA-N 408.498 4.010 30 40 HIEB biogenic CCCCCCCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O 96019531 JBJKWCWJQYYAPL-UHFFFAOYSA-N 423.561 4.026 30 40 HIEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2cccc(Br)c2)cc1 100057487 QCXKSGUOZIIXQA-CIAFOILYSA-N 416.300 4.396 30 40 HIEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771267 DYXBLDFXJFBHDW-MRXNPFEDSA-N 423.469 4.331 30 40 HIEB N#CCc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408864972 BINYIGSGAHPZKL-UHFFFAOYSA-N 410.521 4.327 30 40 HIEB Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c(=O)c2C#N)cc1 5238308 RTSYYNOLUJNDCN-UHFFFAOYSA-N 418.522 4.471 30 40 HIEB CO/N=C1\C[C@H](C)Cc2c1cc(-c1ccc(Br)cc1)n2CCC(=O)O 5355995 NQZDPOXJFOWULA-UGVXJAHZSA-N 405.292 4.325 30 40 HIEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)NC(=S)N2CC(=O)c1ccccc1 5625274 COMZENIJCRIGCJ-HSZRJFAPSA-N 407.539 4.117 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 5799639 HWYWORFRASVTNG-JOCHJYFZSA-N 414.461 4.259 30 40 HIEB CCN1CC[C@](O)(/C=C/c2ccc(OC)cc2)[C@H](C(=O)/C=C/c2ccc(OC)cc2)C1 5807724 JYLZSDOALDKVPO-IBMQNESTSA-N 421.537 4.072 30 40 HIEB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C#N)cc1)CC2 7408683 WEBIFCCOROGPCK-QFIPXVFZSA-N 404.491 4.425 30 40 HIEB O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(CCc2ccc(F)cc2)CO1 8993131 ZCAFZGLAVDFLPJ-UUYOSTAYSA-N 402.425 4.232 30 40 HIEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 13010792 JIUUKLWTMKGRHT-OAHLLOKOSA-N 412.946 4.430 30 40 HIEB CCc1ccccc1/N=C(\O)CN1CCN(C/C(O)=N/c2cc(C)ccc2OC)CC1 22804846 WTCYMIPZLLFGBY-UHFFFAOYSA-N 424.545 4.060 30 40 HIEB O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1F 33740084 JYIOYUIOTDDZHW-RVDMRPQDSA-N 414.396 4.496 30 40 HIEB C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1 33746597 RWJUGCRMRFFDHR-UHFFFAOYSA-N 404.495 4.220 30 40 HIEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408849370 WHZAXQZJNQCCIQ-WSDLNYQXSA-N 420.498 4.231 30 40 HIEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(Cl)cc1 2322712 FSGVYQJWGQQKOT-ODCIPOBUSA-N 401.651 4.176 30 40 HIEB COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(Cl)cc2)o1 4776296 OJMSLWXCLBIFFT-UHFFFAOYSA-N 414.870 4.351 30 40 HIEB Cc1n[nH]c(=S)n1/N=C/c1cccc(OCc2ccc(Br)cc2)c1 5603324 DPTIUZLUQWMGRB-VXLYETTFSA-N 403.305 4.473 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1OC 5980677 IQUUMFQBBYTOPS-INIZCTEOSA-N 411.527 4.091 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(C(C)C)cc1 6620541 OKWBNRSIWOUTQO-QFIPXVFZSA-N 423.509 4.433 30 40 HIEB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)C1(C#N)CCCCC1 7362109 YDLMSLJXSOLSIG-KRWDZBQOSA-N 423.586 4.369 30 40 HIEB O=C1C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]1/C=N/OCc1ccc(Cl)cc1Cl 12961079 MOVLVBZQGVQSQG-QGGMBGSLSA-N 417.292 4.211 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19082656 BRQWSBJUBGCYDM-QHCPKHFHSA-N 419.569 4.200 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 26089807 ZZHAEARWXCCHQK-UHFFFAOYSA-N 418.503 4.050 30 40 HIEB C=CCn1c(SCC[S@](=O)c2ccccc2)nc2scc(C3CC3)c2c1=O 32933409 VIGDPYSHKWBJLE-HHHXNRCGSA-N 416.593 4.421 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3F)CC2)=NC1=O 35042569 YSHBCGZLYOTLHN-LTGZKZEYSA-N 423.513 4.183 30 40 HIEB O=C(O)COc1ccc(/C=N\c2ccccc2I)cc1Cl 408843172 DVOQPHMSABMZCH-LSCVHKIXSA-N 415.614 4.159 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(C)C)c2C)C(=O)NC1=S 408902845 RXLXLIDIUNTGEE-CPNJWEJPSA-N 407.539 4.030 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(OC)cc1 2446926 AWYHJWHFFLLBGG-UHFFFAOYSA-N 416.453 4.149 30 40 HIEB CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1 5309084 CQWFULCCGCWXDR-UHFFFAOYSA-N 403.920 4.282 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 6654559 PHWDORWKBBQQIH-KRWDZBQOSA-N 402.475 4.279 30 40 HIEB C/C(=N\N1C(=N)S[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O)c1ccc(F)cc1 8426791 GNLWYCZSJMKWES-DRCZWBPLSA-N 418.881 4.111 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9331425 FFSZPNLDPXEIIJ-HXUWFJFHSA-N 416.389 4.083 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 9467154 XRQXQACMAAQIFM-UHFFFAOYSA-N 418.503 4.050 30 40 HIEB C=CCSc1nnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)s1 10676841 SDYSDDTYKPCMFE-UHFFFAOYSA-N 424.555 4.200 30 40 HIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2 12391688 ABXOXHZYVKDATD-DJJJIMSYSA-N 408.845 4.408 30 40 HIEB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)C 20568844 LRVZFGFURDUUSP-JOCHJYFZSA-N 413.514 4.402 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccccc1 20635494 HJGOWNNCEOUBKF-SFHVURJKSA-N 403.530 4.250 30 40 HIEB COc1cc(/C=N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC 25693342 PGWBKJVMKSZZTR-KECGHCAJSA-N 402.450 4.419 30 40 HIEB N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)cc1C#N 33571713 RVJJTACHRXGHCE-UHFFFAOYSA-N 400.365 4.401 30 40 HIEB C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccccc1)c1ccccc1 95951575 BOFHBYNHTDUFGB-SEIBCYHCSA-N 420.553 4.129 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 100439851 DZXYUBRZKZNJAO-YDJIHCHBSA-N 400.390 4.221 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(OC)c2)cc1 102801401 GVADVLMCLVJTDA-HOGKFDNTSA-N 415.445 4.330 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 102895533 GFGUYFJNQANISH-LFVOPCPISA-N 424.840 4.271 30 40 HIEB N=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)[C@H]1c1nccs1 108276706 UFFXDYDNMFTRNB-QCZGZWRVSA-N 409.286 4.052 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408728852 VPDWATYBCXAIKX-KJAUDZCXSA-N 401.249 4.394 30 40 HIEB C#CCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OC 409116599 MKEFQSZGESCYLC-UHFFFAOYSA-N 421.278 4.486 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409319822 MGIIADQYDRIYNA-ZDUSSCGKSA-N 409.287 4.426 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 409352497 CXZDPDQBFDJZFQ-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCCCC1 672183 WPNGYBIYNFNRNA-LDADJPATSA-N 413.362 4.436 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1C 4814863 QJLCFTHFZXEMHM-UHFFFAOYSA-N 409.511 4.432 30 40 HIEB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5690644 KAMILXCMBMDGQG-UNMCSNQZSA-N 421.493 4.015 30 40 HIEB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O 5728587 MSAUYOVEIIKUSC-QFIPXVFZSA-N 415.445 4.492 30 40 HIEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 8879564 AZVQAIZQUIVFMO-YVNNLAQVSA-N 416.385 4.259 30 40 HIEB biogenic Cc1ccccc1NC(=S)N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12523980 QFIDGSBZLKVQGV-UHFFFAOYSA-N 409.536 4.117 30 40 HIEB C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H]1CCc2ccccc21 47406021 BCCUUJDGMQHFCN-IBGZPJMESA-N 406.486 4.052 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1ccc(Cl)cc1 254307894 NXHWNWYVROOPAI-SNHGZMDHSA-N 406.869 4.060 30 40 HIEB C=CCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OCC(=O)O 408853199 ZQMHXJXBRPZOLT-UFFVCSGVSA-N 404.806 4.199 30 40 HIEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409040487 YGZXMAQWSVQVLQ-UYOCIXKTSA-N 404.286 4.155 30 40 HIEB CCOc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OC 409133166 ZXESOLMGTFLOKZ-BOPFTXTBSA-N 416.886 4.148 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3550801 DWPIRVVBEVXGHN-ZIAGYGMSSA-N 419.616 4.022 30 40 HIEB Cc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N 6275662 ZWONDVVKHCDBOQ-UHFFFAOYSA-N 408.465 4.209 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 6784129 SNLJQIFKDLDHJB-NRFANRHFSA-N 418.449 4.160 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)n(C2CCCC2)c1C 12255943 CKJHAIDBFVSHBB-GOSISDBHSA-N 412.317 4.157 30 40 HIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1=O 12607400 FMVJIZYQVRAAJL-UHFFFAOYSA-N 421.400 4.396 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C(C)(C)C)C1 72391244 SCHBEGNLRXLRAW-AREMUKBSSA-N 419.569 4.248 30 40 HIEB CC[C@@H](C)Oc1c(Br)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OC 408859437 XGFKFNGRFKQJEQ-IGBQKYEDSA-N 413.337 4.167 30 40 HIEB COc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409280460 KEGDKQQXQASECV-UHFFFAOYSA-N 400.276 4.173 30 40 HIEB COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC#N 409330880 MJTQTAYFSNSBFH-LICLKQGHSA-N 400.456 4.142 30 40 HIEB Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2cc(Br)ccc12 1250846 RCNXUSFPJBLSJE-SSDVNMTOSA-N 408.255 4.208 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccco2)n1 4979926 HATNFDWZFJCVLB-FQEVSTJZSA-N 403.486 4.381 30 40 HIEB COc1ccc(-n2c(SCC(=O)NC3(C#N)CCCCC3)nc3ccccc32)cc1 8012507 AGVVJDKKTIVMQA-UHFFFAOYSA-N 420.538 4.469 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10371524 PXMGJPZWPXTIOP-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19770491 ZODWQFAIAWXTOV-UUOWRZLLSA-N 402.494 4.395 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 20195724 WVWNOQNENGFSRH-ZVHZXABRSA-N 421.453 4.315 30 40 HIEB COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)c(C)c1 44167348 NICZZKCGYYRWRF-UHFFFAOYSA-N 418.472 4.418 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102401935 RCRRFVAJLGHSBE-JBCNATCCSA-N 402.450 4.420 30 40 HIEB C=CCN(Cc1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 224478502 YCZDRNIPICMMJH-UHFFFAOYSA-N 421.522 4.019 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408807209 GMXRBKCEQBLZNO-SDNWHVSQSA-N 417.248 4.225 30 40 HIEB O=S(=O)(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1 408879086 FHKDEIRANKHWDT-BUVRLJJBSA-N 405.479 4.059 30 40 HIEB Oc1ccccc1CNCC[C@@H](S)CC[C@@H](S)CCNCc1ccccc1O 4706510 IGTKLUJOZGTRLI-BGYRXZFFSA-N 420.644 4.134 30 40 HIEB COc1ccc(NC(=O)c2ccc(N/N=C/c3ccccc3O)c([N+](=O)[O-])c2)cc1 4837123 XOPJFINNTXZDQE-LPYMAVHISA-N 406.398 4.007 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O 13140859 QUSRVYAKTFVPAZ-XJKCOSOUSA-N 419.616 4.294 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2ccc(Br)o2)C(C)(C)c2ccccc21 18159331 LODWRJKHDVAGNI-YBEGLDIGSA-N 404.260 4.080 30 40 HIEB C=CCNC(=S)Nc1ccc(-c2nc3ccc(NC(=S)NCC=C)cc3[nH]2)cc1 20835390 PWRGVHVXWMATJJ-UHFFFAOYSA-N 422.583 4.175 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)cc(Cl)c2O)c([N+](=O)[O-])c1 23411608 RYMRQIIINFSERL-SOFYXZRVSA-N 415.587 4.071 30 40 HIEB CO/C(=N\[C@@H](NC(=S)NC(C)(C)C)C(Cl)(Cl)Cl)c1ccc(C)cc1 102628519 RUTDVTZVUCXSFQ-RQZLXBNYSA-N 410.798 4.347 30 40 HIEB C=CCN(Cc1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 224470959 LURHPUTTYDWGND-UHFFFAOYSA-N 424.497 4.455 30 40 HIEB C#CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 408909997 ILMHRMFRYJONRS-GRSHGNNSSA-N 408.639 4.469 30 40 HIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409081564 PYQLWKXIDDKXLU-ODLFYWEKSA-N 408.410 4.227 30 40 HIEB CCOC(=O)c1sc(=S)n(C)c1/N=C(\O)c1cccc(Br)c1 2360939 UZNIJYMXPNLEQL-UHFFFAOYSA-N 401.307 4.392 30 40 HIEB O=[N+]([O-])c1cc(Cl)cc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c1O 2658325 ZBUSFOHSRRJEFT-IFRROFPPSA-N 418.784 4.293 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1F 5829258 XQQXBYHHZLPIAI-HDMKZQKVSA-N 402.539 4.303 30 40 HIEB CCCCOCCS(=O)(=O)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1 5951546 FSZQHZQIVMEGSU-XUTLUUPISA-N 410.923 4.125 30 40 HIEB C[C@@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 12619809 GYRZMUFVHMMPTP-BJOJIYOISA-N 406.473 4.360 30 40 HIEB Cc1ccc(S(=O)(=O)N2CCC=C(Br)C(=O)c3ccccc32)cc1 16953612 LSTOUBIKVMZENT-UHFFFAOYSA-N 406.301 4.056 30 40 HIEB COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 20533209 PKNSYZKRYIFYEB-UHFFFAOYSA-N 403.417 4.006 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cccc(C)n2)cc1 102859067 WUNRLHRFXVRCJF-LFVOPCPISA-N 406.463 4.086 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242437473 CBVJHZWEWQVOQD-NJDAHSKKSA-N 403.931 4.389 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 408599943 PDMAZRCNKCHXBJ-UHFFFAOYSA-N 408.797 4.080 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409205064 KPZSZIYMZFUISM-LDADJPATSA-N 400.525 4.216 30 40 HIEB O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)N1CCOCC1 1058549 IEHXBUHPOOPAPZ-WSDLNYQXSA-N 415.515 4.137 30 40 HIEB CCOC(=O)C(C#N)(CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 1666549 VHTMPLBPFWXKOY-UHFFFAOYSA-N 411.414 4.141 30 40 HIEB O=S(=O)(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 2300564 CQAPIRAUCPZAFR-HYARGMPZSA-N 400.887 4.231 30 40 HIEB CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4060435 MLLJUIBYSLKTGY-OAQYLSRUSA-N 413.514 4.261 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 5373799 OCYUSCPQULNPKQ-YVLHZVERSA-N 413.476 4.061 30 40 HIEB COC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(C#N)c1C 5960046 NSRHKSSWEKRGTB-UHFFFAOYSA-N 413.282 4.348 30 40 HIEB OCCSCC/C(=N\N=C(/CCSCCO)c1ccccc1)c1ccccc1 8653466 ZLNPVJFWPXYFSD-MBALSZOMSA-N 416.612 4.111 30 40 HIEB CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(Br)c3)S2)cc1 9311577 DFGKGIWGUMKOET-MHWRWJLKSA-N 419.300 4.445 30 40 HIEB COc1cc(/C=C/C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(OC)c1OC 12537197 KKSMSTIAYGMMQO-ACCUITESSA-N 414.461 4.159 30 40 HIEB Cc1cc(Cl)ccc1OC/C(O)=N/c1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 14121733 PGCCSVJDJQRIOA-KBPBESRZSA-N 409.939 4.381 30 40 HIEB Cc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 20558856 HGQMZKKSBJDYMF-PXLXIMEGSA-N 404.491 4.481 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 32643479 PFSIXXWGMVINRL-UHFFFAOYSA-N 403.276 4.354 30 40 HIEB N#C[C@@H](C(=O)CSc1nncn1-c1ccccc1)c1nc(-c2ccccc2)cs1 32777029 LZIXRYHTUHCJAQ-KRWDZBQOSA-N 417.519 4.359 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2Cl)/C1=C(\O)c1cccs1 102879500 SVVYSENEWXKLCE-INYZNFKRSA-N 403.887 4.002 30 40 HIEB Cc1ccc(C)c(COc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)c1 225843719 MSCLJLBANBIALA-UHFFFAOYSA-N 411.303 4.344 30 40 HIEB N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 553335214 UASXKGSTNUQTGM-XMMPIXPASA-N 404.464 4.487 30 40 HIEB CCCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)O)C3=C2C(=O)CCC3)c1 2116171 YPJSPNCANVBHKG-UHFFFAOYSA-N 423.509 4.364 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc2c(c1)OCO2 8435822 HLPBVILXCXEBDO-NVNXTCNLSA-N 403.257 4.069 30 40 HIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 9531007 MGMDZUKHOCZFHP-NVMNQCDNSA-N 417.255 4.396 30 40 HIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2 12391690 ABXOXHZYVKDATD-YJYMSZOUSA-N 408.845 4.408 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)o1 222318761 XNMTUWSDEQIYCH-VRMZQWIMSA-N 406.869 4.295 30 40 HIEB Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 409139521 BEPJGZGSLPJYIT-UHFFFAOYSA-N 417.852 4.460 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1433807 LYCGCGJQFRSKOJ-ZOVQAKDCSA-N 407.469 4.053 30 40 HIEB biogenic COc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c(OC)c1 1473652 IXDHPBXLAGCMAV-UKWGHVSLSA-N 409.298 4.440 30 40 HIEB C=CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC 2070903 JRCITDMUTUAHRN-SXGWCWSVSA-N 414.801 4.166 30 40 HIEB COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1CSc1ccccn1 2790305 HGXNPWLQFOGARX-ZVBGSRNCSA-N 407.471 4.083 30 40 HIEB C[C@H](CCc1ccco1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4084821 RFDZLHQISAXUIQ-XBNLDRLWSA-N 401.547 4.060 30 40 HIEB CCOc1ccc2nc(/N=C(N)\N=C(\S)Nc3ccc(C)c(C)c3)nc(C)c2c1 17194917 PGNRDDCGVKWMST-UHFFFAOYSA-N 408.531 4.298 30 40 HIEB aggregator C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 19703257 OZEZSCLKRONVDV-IUSCBXDMSA-N 408.586 4.118 30 40 HIEB biogenic C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 36093463 YJRGBBKBPXHOLB-CJARSDEPSA-N 402.317 4.303 30 40 HIEB N#Cc1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 49006719 NCQZLXTWHNWBCX-UHFFFAOYSA-N 409.902 4.345 30 40 HIEB C=CCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 72396318 OWGBNLVEIRQVFX-FQEVSTJZSA-N 416.485 4.328 30 40 HIEB CCCCCCCNC(=S)NC(=O)COc1ccc(CC)cc1Br 97940325 CDWBGOVNBVXVEG-UHFFFAOYSA-N 415.397 4.351 30 40 HIEB C=CCN(c1ccc(C(=O)NCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 224371234 UMWKEVCRZSIGOS-UHFFFAOYSA-N 420.534 4.306 30 40 HIEB CCOc1ccc(/N=C2/S/C(=C\c3cc4c(cc3OC)OCO4)C(=O)N2C)cc1 409054346 VBIZIPNCTLSKRU-UYSHNFGTSA-N 412.467 4.056 30 40 HIEB C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 542061051 CEUJRRUTVZFFKE-KRWDZBQOSA-N 410.477 4.246 30 40 HIEB COc1ccccc1C(=O)OCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1 2049251868 KAJWSYHWWIEVQQ-UHFFFAOYSA-N 416.429 4.354 30 40 HIEB C=CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccccc1 3369454 OXRFVDCOQKSJQT-UHFFFAOYSA-N 410.455 4.198 30 40 HIEB CO/N=C/NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 5209447 LIQFDYXDGORKSA-NRFANRHFSA-N 406.869 4.409 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccccc1 9128519 LZAAACDPBIGICI-HNNXBMFYSA-N 424.526 4.226 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)c1 12999749 YYQJHVACGNTQJQ-UHFFFAOYSA-N 400.390 4.034 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19500204 BEGHUIUIUKKGCN-XMMPIXPASA-N 419.569 4.200 30 40 HIEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1[N+](=O)[O-] 33855217 RURANDSDEMQNBX-SOFGYWHQSA-N 422.353 4.052 30 40 HIEB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2cccc(C#N)c2)c1 57486304 BVGBINQIJRFZTP-UHFFFAOYSA-N 418.522 4.249 30 40 HIEB Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 64987011 PNSBLXGTAGNRGC-RUZDIDTESA-N 417.509 4.496 30 40 HIEB COc1ccc(C(=O)/C=C/c2c(Cl)c3c(c(OC)c2Cl)OCC(=O)N3)cc1 96336901 MXBKBEXWQUUBAE-BQYQJAHWSA-N 408.237 4.238 30 40 HIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(Cl)cc3)NC1=O)OCO2 409107079 UQLZIQXEZCPPRG-CAOOACKPSA-N 402.859 4.359 30 40 HIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cccn1-c1cccc(C(=O)O)c1 409107713 QEFTWKNKVKPMBH-PDGQHHTCSA-N 407.426 4.206 30 40 HIEB COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)o1 409159846 ALKLQOLSENFYAX-XRCCUIEGSA-N 410.857 4.140 30 40 HIEB CCOC[C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 552994427 SRQXQZJNKXRQQV-KRWDZBQOSA-N 403.954 4.093 30 40 HIEB C=CCN/C(S)=N/N=C/c1ccccc1OCc1ccc(Br)cc1 2888683 HJFJWQHTXWZURS-CIAFOILYSA-N 404.333 4.423 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccs2)c1 4629668 CQAOUIKELHESGR-IBGZPJMESA-N 415.511 4.150 30 40 HIEB CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 4682466 ZKMVLBIDIJIPKC-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C[C@@H]1COc2ccccc2O1 7052086 UIOQBWZISLNKPO-GOSISDBHSA-N 419.506 4.187 30 40 HIEB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 9511174 QPJJSHOTXUSQFG-QGZVFWFLSA-N 423.476 4.038 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(CC#N)cc3)c2C)cc1 10314481 QPDMRGKEBSHKQX-UHFFFAOYSA-N 419.506 4.423 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccc(F)c2F)cc1 12321595 WYTHGOMKZLPFOR-ODXCJYRJSA-N 424.407 4.336 30 40 HIEB C=CCOc1ccccc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 12981089 FVHXGRULVHRWMD-UHFFFAOYSA-N 415.515 4.253 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 19817605 BSAZBKZMBTVTJP-HXUWFJFHSA-N 412.917 4.260 30 40 HIEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 20130040 MMECPSKSAARMQF-KRWDZBQOSA-N 420.248 4.046 30 40 HIEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3ccc(Br)cc3)nc2c1 35312182 YCHQHWBOMWJBDC-UHFFFAOYSA-N 409.287 4.019 30 40 HIEB N#Cc1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)nc1 90607634 DOADZQQDZWPMOV-UHFFFAOYSA-N 411.461 4.261 30 40 HIEB COc1cccc(N(C(C)=O)c2nc(/C=C3/COc4ccccc4C3=O)cs2)c1 96924518 IWGGKZQWIYCSMU-GDNBJRDFSA-N 406.463 4.495 30 40 HIEB Cc1nc2ccc(N/N=C(/C(=O)Nc3cccnc3)C(=O)c3ccccc3)cc2s1 102949417 MGRAJHZUXHALPO-NHFJDJAPSA-N 415.478 4.289 30 40 HIEB C=CCOC(=O)/C=C/c1cc(Br)c(OCc2cccnc2)c(OC)c1 226337557 WQTSGQTUDRDGEC-VOTSOKGWSA-N 404.260 4.174 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 408731438 MOPCOQHTRKJYFC-JOCHJYFZSA-N 414.486 4.228 30 40 HIEB CCOc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409264624 QKJLXLMXXQILJA-FBHDLOMBSA-N 421.291 4.290 30 40 HIEB C#CCOc1cccc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)c1 409311523 GTQCPESVYGGYMD-UHFFFAOYSA-N 424.298 4.006 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O 784818 DUERKBXZKUKFCL-UHFFFAOYSA-N 415.540 4.000 30 40 HIEB CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/N=C/c2ccc(O)cc2)s1 5726502 NOLPASPEVKBUOK-PGJJUSORSA-N 407.282 4.084 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 5868759 XEXPMJUKLXAMDT-MRXNPFEDSA-N 410.543 4.258 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 6786311 GLHVAOAWINDMLT-KRWDZBQOSA-N 406.265 4.218 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC 8991616 ZWMXQRMLABGXJR-KSFYIVLOSA-N 417.465 4.353 30 40 HIEB O=C(/C=C/c1ccccc1Br)c1ccc(S(=O)(=O)N2CCCC2)cc1 9539527 UJZDSMZAMAPORU-FMIVXFBMSA-N 420.328 4.130 30 40 HIEB C=CCNc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 12883206 CIMTXXGGLPXJNI-UHFFFAOYSA-N 410.568 4.476 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Br 13683788 VBOHVYHANJUNJT-UHFFFAOYSA-N 423.694 4.036 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccs1 19973778 NRZILJVAPKFOGY-HXUWFJFHSA-N 412.555 4.367 30 40 HIEB Fc1ccc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)cc1Cl 36611360 QIIMDKUEHRBXKN-CGOBSMCZSA-N 402.785 4.351 30 40 HIEB COC(=O)/C=C1/S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccc(C)cc23)C1=O 101379909 QGCGXFOSZVGOBW-OYPKHVMMSA-N 419.506 4.339 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2)cc1 102879245 KJFCJVYYWDGMHK-LFVOPCPISA-N 420.490 4.395 30 40 HIEB C/N=C1\S/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C(=O)N1C 110271089 WMAWWDCQXBOMBD-YVOCRCSPSA-N 419.506 4.008 30 40 HIEB C=CCOc1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 219152060 KFABKRNFDIIEHR-UHFFFAOYSA-N 420.490 4.066 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408805785 LPLDTEZHJXMKRI-SFQUDFHCSA-N 410.857 4.188 30 40 HIEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1OC(=O)c1ccc(C)cc1 408900271 UODLJIJUEKPKAD-ZMOGYAJESA-N 420.425 4.362 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3O)S2)cc1 408955055 VPVBDYIFXSVRKF-MHWRWJLKSA-N 419.300 4.445 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 801591 RGYFHFVZVIOUAU-FQEVSTJZSA-N 420.490 4.320 30 40 HIEB C=CCc1ccccc1OCCn1c([C@H]2CC(=O)N(CC=C)C2)nc2ccccc21 4385951 SBRPCRWILLOEQE-FQEVSTJZSA-N 401.510 4.346 30 40 HIEB N#Cc1cnn2c1ncc1c(C/C=N/OCc3ccc(Cl)cc3Cl)nccc12 5344219 XOBSVCGZKVLVAY-GOTRBWPWSA-N 411.252 4.201 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2OC)cc1 12407975 KUIQYYNVZGPOTD-SZNDQCEHSA-N 418.453 4.066 30 40 HIEB O=C1/C(=N/Nc2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 13897249 LAEWYEJKAHDNBQ-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB COc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 16666524 VNEZZRRGHLVDIJ-KEBDBYFISA-N 412.427 4.034 30 40 HIEB N#Cc1c(N)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1cccc(F)c1 20814454 PHHAPSQNKGVNBY-UHFFFAOYSA-N 418.453 4.049 30 40 HIEB CCOC(=O)/C=C1/CS/C(=N\c2ccccc2)c2c(c(C#N)c3ccccn23)N1 32603881 LCQCWZBUXDEOSX-FDXFHYOPSA-N 402.479 4.495 30 40 HIEB COc1cc(/C=N/c2nc3ccc(Br)cc3s2)c(O)c([N+](=O)[O-])c1 38186543 VWOQJNPMKVPKBS-REZTVBANSA-N 408.233 4.432 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccccc1 44973784 OXJJYEVQGNIQBV-KRWDZBQOSA-N 411.527 4.079 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@H]2C[C@H]2C)C1 72391221 OIAKUFGOAZWXEY-MHLNXUHPSA-N 416.565 4.463 30 40 HIEB CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)O2 101106957 SZNHFCZGEJFZIL-IBGZPJMESA-N 407.514 4.339 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Cl 408810387 PJEKXDKGLUSPGH-LFIBNONCSA-N 410.857 4.188 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 6095028 UUDOMZXUXHREBV-UHFFFAOYSA-N 412.446 4.462 30 40 HIEB C#CCOc1c(Cl)cc(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1Cl 6326138 UFMRSMQNIKJMTB-CQSZACIVSA-N 402.368 4.433 30 40 HIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C4CC4)c3C)C1=O)cn2C 9422620 SHMBLCSIZQASJJ-UFFVCSGVSA-N 403.434 4.427 30 40 HIEB N#Cc1c(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)sc2c1CCCC2 9464782 WBVOJJKEBYMLCQ-MDZDMXLPSA-N 423.519 4.303 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(OC)c2)cc1 12408423 GKFMTDLMGJYULE-QVKFZJNVSA-N 418.453 4.066 30 40 HIEB CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1 20228967 OTFWWNSJWRIXCC-JOCHJYFZSA-N 422.525 4.005 30 40 HIEB CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 20573514 OLZJHYLHYYAMEX-OXQOHEQNSA-N 422.506 4.222 30 40 HIEB Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N 32777464 HJOBMXKPTVOKHL-JTQLQIEISA-N 403.510 4.297 30 40 HIEB COc1ccc(C(=O)C2=CN(c3ccccc3)c3cc(F)ccc3S2(=O)=O)cc1 32984364 SLMUKIMAVRVZDT-UHFFFAOYSA-N 409.438 4.484 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)o2)cc1Cl 100302828 VKBXHIYTVCVTQV-QTGAPOLJSA-N 406.869 4.295 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C 102519802 GKXVUDKJDMRARQ-HOGKFDNTSA-N 414.461 4.021 30 40 HIEB C=CCOc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 408630073 NCVCIHRLTAAAHO-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1 979055 ABNIYDTWWMFBAN-YVLHZVERSA-N 416.886 4.257 30 40 HIEB CCOC(=O)C1(c2ccccc2)CCN(Cc2c(C#N)c3ccccc3n2C)CC1 4359595 IBLYZNAARQFSHC-UHFFFAOYSA-N 401.510 4.147 30 40 HIEB COc1cc(/C=C/c2n[nH]c(=O)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1 7123666 VKXPRPCECQXAAB-WEVVVXLNSA-N 407.857 4.361 30 40 HIEB COc1cc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1OCCC(C)C 9262325 SKSFWCFEOADYPQ-IIBYNOLFSA-N 404.470 4.151 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 12986398 RRGZEHFAAGMOSO-UHFFFAOYSA-N 422.941 4.293 30 40 HIEB CCOc1ccc(NC(=O)NCCNc2nc3cc(C)c(C)cc3cc2C#N)cc1 35312853 JSJDLURYSXKOFO-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB COc1ccc(CCNC2=C(C(=O)Nc3ccccc3)C(=O)CC(C)(C)C2)cc1OC 100938241 RJDWLKPYMIXXND-UHFFFAOYSA-N 422.525 4.118 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1 102768207 HPYXJYJECHFNPV-TZRRMPRUSA-N 423.472 4.226 30 40 HIEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223925937 CAYXANSZUXXOGX-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CCOc1cccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 408589262 LDDZJPHDWZHINS-VLSPTERQSA-N 422.484 4.311 30 40 HIEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC 408985666 XKIDGZGTFMGTNF-PDGQHHTCSA-N 424.884 4.442 30 40 HIEB CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1 409210363 KLWIRHZASKMZBY-SRZZPIQSSA-N 422.275 4.461 30 40 HIEB Cc1ccccc1Cn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409223067 GDJHBUUFDIBSLD-TTYPLGTBSA-N 409.489 4.139 30 40 HIEB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1cccc(C#N)c1 4495001 VMSHQLPSVBRKEQ-ZDUSSCGKSA-N 404.447 4.363 30 40 HIEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 5953717 IOHAVGZIQGCPSA-NOQVSKCTSA-N 412.467 4.026 30 40 HIEB CCCCCCCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 8387161 NVGXYPHETQHUNG-UHFFFAOYSA-N 417.598 4.335 30 40 HIEB biogenic CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc(O)c1 9332782 JAIRQOSLYKKREF-HXUWFJFHSA-N 402.454 4.289 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 19519961 MXORHDHYYGQJCT-UHFFFAOYSA-N 409.877 4.392 30 40 HIEB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1C#N 20176019 YVCIGSSUXLZKMG-YBFXNURJSA-N 410.520 4.367 30 40 HIEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 24915156 KVBNPABQEMBQFI-AWEZNQCLSA-N 405.527 4.068 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2c(Cl)cccc21 32105308 VKYWXBCHUVNVII-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2Cl)CC1 44165928 MNODCOGXNVDFDF-UHFFFAOYSA-N 422.891 4.432 30 40 HIEB CC(C)(C)OC(=O)NCCO/N=C(/CCCCO)c1ccc(C(F)(F)F)cc1 90729750 GZQGJPRJLRYOTB-JLPGSUDCSA-N 404.429 4.113 30 40 HIEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccccc1 408927981 ZEJHPRZXIVIHFT-AWEZNQCLSA-N 414.321 4.456 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O)c(Cl)c1 1531329455 VCPFVOARYLBMCP-UFFVCSGVSA-N 420.694 4.353 30 40 HIEB Cc1nn(-c2ccccc2)c2nc(OCC#N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c12 2585227 TZVXSCGPYDWOND-UHFFFAOYSA-N 410.393 4.078 30 40 HIEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccs2)c1 5617733 DMTWVWTYYFYGKB-PXLXIMEGSA-N 413.524 4.011 30 40 HIEB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2CC(C)C)cc1 6035943 WFZGFWVCGFEGDU-UHFFFAOYSA-N 421.526 4.212 30 40 HIEB O=C1/C(=C/c2ccco2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 9420357 CWXFCMKZSRHKAW-ZDLGFXPLSA-N 402.811 4.317 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@H]2C[C@H]2C)C1 19462710 GUMQQLRTLGSDKF-HYWYFEKYSA-N 420.528 4.212 30 40 HIEB N#CC1(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CCCCCC1 32906667 LXMYRZLSZAARNI-UHFFFAOYSA-N 408.468 4.450 30 40 HIEB N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)cc1C#N 35140508 LKBOJXWVYYIUDJ-UHFFFAOYSA-N 400.365 4.401 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)NCc4ccccc4)CC3)nc2cc1C 35313844 WZRHFWZHHBVETP-UHFFFAOYSA-N 413.525 4.145 30 40 HIEB N#CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 36391729 FVZKVDRHTNVDGR-VGSWGCGISA-N 410.564 4.263 30 40 HIEB C=CCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(C(=O)OCC)ccc21 100874085 PJVVBAZKTZPRRC-XDOYNYLZSA-N 400.887 4.460 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C 102519796 GKXVUDKJDMRARQ-MOBKVPTQSA-N 414.461 4.021 30 40 HIEB COc1cc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)ccc1O 102802738 DDZHBSPLAIIGSD-MOBKVPTQSA-N 415.445 4.336 30 40 HIEB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c(C(F)F)cc(C3CC3)nc12 2776709 IQVRVYHLKYNKFH-UHFFFAOYSA-N 418.272 4.492 30 40 HIEB CCOC(=O)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 9423880 PQDSJWDMWBMIPN-UFFVCSGVSA-N 421.449 4.053 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 29072318 MCIQFFYNBJYXPL-QGZVFWFLSA-N 424.551 4.393 30 40 HIEB CN(C)Cc1cc(C(=O)/C=C\c2ccc(Br)cc2)cc(CN(C)C)c1O 31870598 XNYDDMGPBXTGGX-YFHOEESVSA-N 417.347 4.174 30 40 HIEB C=CCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3ccncc3)nn21 72396319 OWGBNLVEIRQVFX-HXUWFJFHSA-N 416.485 4.328 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]32)C1 105365825 NBZXMBPRBWXSSQ-OYVWGXJMSA-N 401.591 4.414 30 40 HIEB biogenic C=CCOc1ccc(/C=N/N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1OC 408724461 AHRGMIAJNMVWCP-VULFUBBASA-N 412.445 4.142 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3Br)OCO4)S2)cc1 408878551 AKNRFBFPKOHMFN-APSNUPSMSA-N 417.284 4.378 30 40 HIEB C#CCOc1ccc(/C=C2\SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1 409005012 YQRRPTKBDCXAMM-CYVLTUHYSA-N 405.475 4.242 30 40 HIEB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1-c1ccccc1 409111494 IZANKBSACAIKCT-UHFFFAOYSA-N 420.446 4.444 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 2640918 LQUCZXVEIOODCD-HXUWFJFHSA-N 411.556 4.142 30 40 HIEB COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 3358977 NSFHKCWSUNHUMV-QFIPXVFZSA-N 400.434 4.049 30 40 HIEB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC#N 4689739 WDPGXTAALCHHAC-CPNJWEJPSA-N 410.520 4.389 30 40 HIEB CCC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 4898292 VCHFDMLVDMNIGJ-NVHJWRPJSA-N 414.462 4.368 30 40 HIEB C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1 6203610 ZGYKDFXWSMYKCM-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB COc1ccc2c(c1)c(CC(=O)O[C@@H](C)C#N)c(C)n2C(=O)c1ccc(Cl)cc1 7655034 LXYOIJMCCOEKMP-ZDUSSCGKSA-N 410.857 4.298 30 40 HIEB COc1ccc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1OC 13551823 QLOZLOBODCIGBE-VXLYETTFSA-N 402.501 4.293 30 40 HIEB C=CCn1c(SCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)nnc1-c1ccoc1C 24509815 NILHDJOFDQRAJW-AWEZNQCLSA-N 424.526 4.205 30 40 HIEB COc1ccccc1N1CCN(C[C@@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 57600758 RLRPQSHQFUGEOP-SLFFLAALSA-N 406.636 4.347 30 40 HIEB CCCCCCCCC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 100420685 TUXFHUVRAANBOC-OAQYLSRUSA-N 416.562 4.041 30 40 HIEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 100765940 MNUGOMCEASOBHK-SFTDATJTSA-N 409.526 4.283 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 409073602 WIDIELCHUDEZKX-UYRXBGFRSA-N 413.930 4.377 30 40 HIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O 2130794 RGAFQLCOTKJJQF-MFLNWZAWSA-N 406.434 4.341 30 40 HIEB biogenic COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 4182730 MSTZTORQVACHGQ-ISJGIBHGSA-N 423.509 4.103 30 40 HIEB C#CCN(C(=O)NC(=S)c1cccc2ccccc12)c1ccc(C(=O)OC)cc1 6626685 DNMGEFGVLVNCQF-UHFFFAOYSA-N 402.475 4.151 30 40 HIEB C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 8991538 OKCNWBDKJUXBBA-IOVBUETRSA-N 420.490 4.226 30 40 HIEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)cc1 12418239 KIFOHOHAGDCSLQ-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB C=CCn1c(SCCOc2ccccc2F)nnc1[C@H]1COc2ccccc2O1 32945574 FBIDIESVQAZVGW-LJQANCHMSA-N 413.474 4.287 30 40 HIEB COc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)cc1 102341437 XBAKCWBZIKJPHO-QAMTZSDWSA-N 408.479 4.065 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102861950 LMXMEZMBNVWMQZ-DLBSFMOSSA-N 403.887 4.002 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 105410483 WIFCKXHMDYGNCN-YZHFILLJSA-N 420.896 4.450 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 408895174 UDKGFBUHWRVPPZ-QNGOZBTKSA-N 405.450 4.137 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccc(C)cc1 409144122 NHHXQVCUXMUWDT-OAQYLSRUSA-N 419.477 4.038 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC 3662671 PGXKSGRFBDLXJU-JXAWBTAJSA-N 400.544 4.383 30 40 HIEB COc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)c(OC)c1OC 4973892 PDDXDBIOVRONDY-YSHWNQIMSA-N 420.509 4.245 30 40 HIEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5179200 KMGBEPGWCGJEPM-JWHLFPLYSA-N 403.228 4.006 30 40 HIEB CCCCc1nnc(S)n1/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 6072962 CWCWVRBCXFALJX-XQNSMLJCSA-N 410.543 4.422 30 40 HIEB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c(N)c2C#N)cc1OC 15085127 WSHAPVIHBFAHFD-UHFFFAOYSA-N 405.845 4.188 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2ccccc2Br)C(C)(C)c2ccccc21 18207560 AFWHWSYXHVHKOE-UNOMPAQXSA-N 414.299 4.487 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OCC 59135291 MNXRVVCHKHVVOQ-SFQUDFHCSA-N 410.401 4.296 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 100974222 URABZEBRDVCCIN-CAUPHXMNSA-N 418.565 4.158 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222362616 YBNSKGUKYSIPSP-RQAWAUFGSA-N 400.478 4.014 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224763398 NPERGNKNQLAASF-UHFFFAOYSA-N 402.472 4.298 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408753933 LFMYVBIGHOHGKW-LPYMAVHISA-N 401.919 4.368 30 40 HIEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)O 409118126 OXPXPCQUGDMMCW-HCGXMYGOSA-N 417.771 4.062 30 40 HIEB C#CCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OC 409214678 ZRZAFKRUIGUEKW-UDWIEESQSA-N 421.234 4.071 30 40 HIEB O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccncc2)c(C#Cc2ccc(F)cc2)c1 1857524097 CEPAXRIKSUXHHB-UHFFFAOYSA-N 424.479 4.373 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 650530 FVYQFIAJFNDURQ-JOCHJYFZSA-N 406.457 4.441 30 40 HIEB COC(NC(=O)Nc1sc2c(c1C#N)CCCC2)(C(F)(F)F)C(F)(F)F 1087444 ZPZAUSKJJUJPES-UHFFFAOYSA-N 401.332 4.087 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2487002 VHESZMBFMHWHBA-HXUWFJFHSA-N 414.527 4.101 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 13003210 CBADIEQQFKWNJK-NRFANRHFSA-N 418.449 4.473 30 40 HIEB C=CCn1c(-c2ccccc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O 13739526 ZZLSAKXDCIPGKQ-VHXPQNKSSA-N 402.523 4.433 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 14082397 WXSIMUBOWWMWGP-UHFFFAOYSA-N 409.471 4.079 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccs1 19973777 NRZILJVAPKFOGY-FQEVSTJZSA-N 412.555 4.367 30 40 HIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1[C@H](C)Nc1ccccc1OC 32579499 YNCNEVLCYTUAJT-HNNXBMFYSA-N 421.526 4.326 30 40 HIEB N#C[C@H](C(=O)CSc1nncn1-c1ccccc1)c1nc(-c2ccccc2)cs1 32777027 LZIXRYHTUHCJAQ-QGZVFWFLSA-N 417.519 4.359 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC 59861674 LCDBGTZXRAQVDJ-SFQUDFHCSA-N 406.438 4.384 30 40 HIEB COC(=O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl 408963534 OHRIMIKKDNHFTB-QGMBQPNBSA-N 415.614 4.187 30 40 HIEB COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 1248725 MSCRTPOHJCSEKE-PPAWOMOGSA-N 408.310 4.166 30 40 HIEB CCCCN1C(=O)C[C@H](C(=O)NCC)S/C1=N\c1cc(Cl)cc(Cl)c1 2728093 ZPGLJOHFRZVVSN-GICLCMKGSA-N 402.347 4.251 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 6053912 NAZJYOSLXMPILS-UHFFFAOYSA-N 411.508 4.222 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3F)CC2)=NC1=O 8821680 YSHBCGZLYOTLHN-PGMHBOJBSA-N 423.513 4.183 30 40 HIEB C=CCN1C(=O)N[C@H](c2c(Cl)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354339 JKPBGMSMYXRVQR-KRWDZBQOSA-N 421.284 4.455 30 40 HIEB CCOC(=O)/C(=N\Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)c1ccccc1 12625449 YFXCJWRVZIUNEI-DAFNUICNSA-N 417.421 4.476 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@@H]1N(O)C(=O)NC1CCCCC1 13756841 NDORJQUIRKBZGJ-SVZNOHIVSA-N 424.567 4.332 30 40 HIEB CN(C)[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1cccs1 27794178 UHTMVMQDATWUPN-LLVKDONJSA-N 407.293 4.345 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3ccccc3F)cc2-c2ccccc2S1(=O)=O 33271915 UAEWUDXNPZXPRF-UHFFFAOYSA-N 408.454 4.440 30 40 HIEB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 40051063 QJZYYZUEEGTRHX-VWLOTQADSA-N 407.473 4.384 30 40 HIEB CCN(CC)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 59433752 NWJCFURUAJMPEN-ZMOGYAJESA-N 410.543 4.074 30 40 HIEB CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)Nc1ccc(C)cc1F 102691328 OHTMSAPBGNQHIG-UHFFFAOYSA-N 421.538 4.281 30 40 HIEB C=CCn1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 108035188 JPTDMGRSEZFHGH-YBFXNURJSA-N 422.462 4.443 30 40 HIEB COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1Br 252429459 QXVIBSRGSSWZKX-UHFFFAOYSA-N 403.305 4.196 30 40 HIEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1CC 408857278 UACYHQDRDCDIGZ-CUNLUVCHSA-N 410.495 4.276 30 40 HIEB CCN1CCC[C@@H]1C/N=C1/NCCCCCOc2ccccc2Oc2ncccc21 643571381 JOCXOXKGHOWWLM-LJQANCHMSA-N 408.546 4.257 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccccc1C 4512824 MGDLZYBCNYJMCX-UHFFFAOYSA-N 408.458 4.282 30 40 HIEB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 5238243 QCGIUQMCDRVHGP-HNNXBMFYSA-N 404.495 4.045 30 40 HIEB N#Cc1c(NC(=O)CSc2ccc3c(c2)OCCCO3)sc2c1CCCC2 6436774 FUEPUDVVPJVJKL-UHFFFAOYSA-N 400.525 4.391 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccc(F)cc2)cc1 12391087 IALFTBQCBIGBPX-XOBRGWDASA-N 406.417 4.197 30 40 HIEB CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c(C#N)c1C 13959873 GPJMNUBZZPJAFJ-TWGQIWQCSA-N 406.410 4.358 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 102804711 AELFMOCXHTXKSY-LFVOPCPISA-N 424.840 4.271 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 102865037 JVZAJAOPOVFVTG-JBCNATCCSA-N 418.449 4.004 30 40 HIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Br)c(C)c1)C(=O)N2C1CSC1 223720748 FBYOIZLCQCOGLN-PYCFMQQDSA-N 416.344 4.344 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)cc1 409136075 WPTIOSPTAKXVGL-ZHZULCJRSA-N 411.502 4.116 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2c2ncnc3ccccc23)CC1 585100664 SDVRMCPEBPZSDA-RUZDIDTESA-N 411.509 4.167 30 40 HIEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2O)cc1 805810 INTPDHWXOMFHRY-OEAKJJBVSA-N 401.426 4.432 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(C)c1 2213470 ADWVEQFYCPYYNO-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C#N)C1 4280363 AIMXNJJYUMLFKA-BQYQJAHWSA-N 415.902 4.440 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)sc1C 4311353 JSLAFCGCAMMSDD-SFHVURJKSA-N 406.463 4.248 30 40 HIEB C/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1ccc(O)c(O)c1O 5861783 NVKHTNCCOWHZRE-TUSXDNLNSA-N 410.282 4.053 30 40 HIEB N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)sc2c1CCCCC2 6788534 VIKGMZTWMLFMPZ-UHFFFAOYSA-N 409.540 4.405 30 40 HIEB CN(C)/C=C(\C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccc(Cl)cc1 8445448 UPVFHVYXAXNAQE-LFIBNONCSA-N 421.810 4.120 30 40 HIEB C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccoc1C 9666446 FIIGFERDCIUKDR-UHFFFAOYSA-N 424.442 4.283 30 40 HIEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccc(C#N)cc3)ccc2C1=O 13627938 JEQDPUCDQXQSEE-MSXFZWOLSA-N 411.413 4.445 30 40 HIEB biogenic C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1C 14091828 LCYMQEQUMKSYET-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 18067352 RLFXEELXLYYRCX-RBBKRZOGSA-N 421.493 4.151 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cc(Cl)ccc21 32104870 DUZJAGWNXNPUJP-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)c(Br)c3)C2=O)s1 136327191 QQVMFUIIOMMBEK-YKWRUIJSSA-N 424.345 4.289 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1 222544708 ROOUFSSWZDNNLZ-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2C)SC1=S 408576089 PRHFRWJLSBYWHR-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB N#Cc1ccc(OCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 3288374 XKCORVFPZWBQEF-UHFFFAOYSA-N 416.458 4.310 30 40 HIEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5164215 HDVOYXXURQRTSK-PKSBALPTSA-N 403.228 4.006 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 5931255 MMVWLSPJQCKPIM-QGZVFWFLSA-N 424.570 4.149 30 40 HIEB COc1ccccc1/C=C/c1nc(C#N)c(NCCc2ccc(OC)c(OC)c2)o1 8495868 SQCGOWDKFZIEDV-PKNBQFBNSA-N 405.454 4.397 30 40 HIEB CCOc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 9419341 ZZCSFCPXERRPEP-HMAPJEAMSA-N 422.458 4.469 30 40 HIEB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 10514766 CIHDYPWFNZPUIP-UHFFFAOYSA-N 415.696 4.174 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1 14361381 AOMIRFKOCBGDCC-MDWZMJQESA-N 422.344 4.376 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccc(C)c4)n3)cc21 19820177 CFMOFHFNRLJDCZ-UHFFFAOYSA-N 405.479 4.282 30 40 HIEB C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)N1CCCCC1 24830747 AXWUHYNQANDBBH-OAHLLOKOSA-N 408.506 4.371 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1F 26459089 NVHKHLCGCCCUEJ-LJQANCHMSA-N 411.385 4.107 30 40 HIEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 44167343 VVEANWZFVQFLAZ-UHFFFAOYSA-N 414.484 4.047 30 40 HIEB Cn1c([C@H](C#N)/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 5072490 WLMYIFJNAZFHOH-MJOLOOBESA-N 414.490 4.059 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 6382580 FYTLKZOOHNWGGB-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB C#CCn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21 8744408 ZFRLCWAMCAKZLP-VBKFSLOCSA-N 403.438 4.085 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 9244178 ICZQKROEEXZBFI-IBGZPJMESA-N 424.840 4.428 30 40 HIEB CCn1cc(/C=C2/Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c2ccccc21 9420911 RPAAOJPCQSQZSS-LPYMAVHISA-N 418.449 4.108 30 40 HIEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 35897875 JWNVSQZZZYZRNF-NJAFHUGGSA-N 406.507 4.498 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 100557895 XREZHCRBWZQGBU-MOPGFXCFSA-N 407.271 4.235 30 40 HIEB COc1ccc(OC)c(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)c1 408755141 YUIMRIKMEKNMOR-LZYBPNLTSA-N 419.846 4.157 30 40 HIEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 409050179 ZXRHXCIGICGPCV-VHPZFDFESA-N 422.484 4.311 30 40 HIEB C#CCOc1c(I)cc(CNc2cccc(C)c2)cc1OC 409122213 YXNALRNONYADLM-UHFFFAOYSA-N 407.251 4.232 30 40 HIEB Cc1sc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c(C#N)c1C 409182891 PROUIXMWQRISMH-UHFFFAOYSA-N 408.435 4.105 30 40 HIEB COc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(C#N)cc1 653917 LJSQGUKVETYLAX-QFIPXVFZSA-N 401.422 4.102 30 40 HIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Br)c(C)c2)c1C#N 983262 NQNVWQKUPINOII-UHFFFAOYSA-N 420.332 4.210 30 40 HIEB CCN/C(S)=N/N=C/c1cccc(OC)c1OCc1ccc(Br)cc1 2888673 QNJCDCTTZRKQRA-SRZZPIQSSA-N 422.348 4.266 30 40 HIEB COC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 5265429 QSNVCABMVHGPPO-UHFFFAOYSA-N 405.475 4.089 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccc(CC)cc2)nnc1-c1cccnc1 8472241 YOVMUAYIBBRRBJ-MRXNPFEDSA-N 407.543 4.058 30 40 HIEB CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)s1 9593573 URNLGWBHYFOTDK-UHFFFAOYSA-N 424.389 4.393 30 40 HIEB CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 12411963 QZLLHUFXFQXWMJ-UHFFFAOYSA-N 406.438 4.005 30 40 HIEB biogenic,in-vitro Cc1cc(=O)[nH]c(N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 12572833 GUEZGPFUVMMFML-ZMOGYAJESA-N 410.437 4.123 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)cc1OC 13653791 XJDVPTLSFIOCGR-PXNCGERRSA-N 409.482 4.400 30 40 HIEB biogenic CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1Br 29696200 RNSXOUDUOQGBAQ-INIZCTEOSA-N 421.298 4.118 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 34719519 YEFTYTCQLDPGNT-UUILKARUSA-N 421.474 4.421 30 40 HIEB COc1ccc(C(=O)N2CCCN(c3nc4c(C)c(C)ccc4cc3C#N)CC2)cc1 35291982 MVDHTZGINHQEOE-UHFFFAOYSA-N 414.509 4.084 30 40 HIEB C=CCN(C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCC1 40156858 AHNWPLRYDDAOEF-DTQAZKPQSA-N 416.587 4.222 30 40 HIEB COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 40267431 RPLPAYNXLYNSPB-SPLOXXLWSA-N 418.453 4.066 30 40 HIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc1 408738908 PVRZMYXGHXDPQJ-KEBDBYFISA-N 424.329 4.045 30 40 HIEB Cc1ccc(NC(=O)COc2cccc(/C=N/Nc3ncccc3[N+](=O)[O-])c2)cc1C 409379048 USKYEDKPSDGZFJ-ZMOGYAJESA-N 419.441 4.070 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCCC3)CCCC2 658635 CTNXHOSXOYDAOM-UHFFFAOYSA-N 408.552 4.375 30 40 HIEB COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 973924 VDMDBLGRFQCHFD-SFHVURJKSA-N 416.271 4.255 30 40 HIEB Cc1cc(C)nc(N=C(NCc2ccc(Cl)cc2)NC(=O)NC2CCCCC2)n1 2277084 HIWMZPNPNDXAMP-UHFFFAOYSA-N 414.941 4.156 30 40 HIEB Cc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1 2634047 BLOKGUSJRMGKBP-QHCPKHFHSA-N 419.554 4.389 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 4993258 URFPQLDDAQNDQK-QFIPXVFZSA-N 404.466 4.007 30 40 HIEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5164217 HDVOYXXURQRTSK-JWHLFPLYSA-N 403.228 4.006 30 40 HIEB COc1ccc(/C=C2\CCCC3=C2N/C(=N\C#N)N[C@@H]3c2ccc(OC)cc2)cc1 5259049 KFPAWLRUFMXVSU-OVWUPXBPSA-N 400.482 4.296 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 8739600 QGXJUSWVFBGRSX-IBGZPJMESA-N 424.840 4.428 30 40 HIEB N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1cc(-c2ccco2)on1 14253479 WHAVMRHZRWPZAK-UHFFFAOYSA-N 417.450 4.328 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C#N)cc2)cc1 33141809 UQJUEYFTPFYCRA-UHFFFAOYSA-N 411.508 4.006 30 40 HIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1OC 36359071 GYANAOYSZRMUTR-SFHVURJKSA-N 403.438 4.025 30 40 HIEB CCOc1cc(/C=N\O)cc(I)c1OCc1ccccc1F 216826129 NXUNRJQKIYNJPL-OCKHKDLRSA-N 415.202 4.216 30 40 HIEB C#CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408787147 SKYYMRQYBVUNAU-FQWPPLDYSA-N 408.523 4.259 30 40 HIEB CCN1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)S/C1=N/c1ccc(F)cc1 409239592 HNZDGDFUIMTRSD-OMCLJROFSA-N 400.431 4.187 30 40 HIEB N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cccc4[nH]ccc34)n2)s1 585293269 DSFOUCZPDOZZOG-FQEVSTJZSA-N 400.511 4.972 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 5563571 UKKCZPCUENBOOS-MOBKVPTQSA-N 424.516 4.323 30 40 HIEB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 8306446 LNKAFXPWYHMVQI-UFFVCSGVSA-N 407.407 4.399 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 8991311 DOWPOIGXUOVIRS-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8996434 PLNKQLTVXBUFIA-LJQANCHMSA-N 408.410 4.148 30 40 HIEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl 12569197 ZBCBQJTWAFTWLR-LBPRGKRZSA-N 407.779 4.222 30 40 HIEB O=C(/C(=C(/S)NCc1ccco1)[n+]1ccccc1)c1ccccc1Br 23230652 XCGBNMSWQFVELA-UHFFFAOYSA-O 416.320 4.058 30 40 HIEB C=CCN(Cc1ccc(C(=O)N[C@H](C)CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 260566747 XHMPCHBTKRTSEU-MRXNPFEDSA-N 420.962 4.245 30 40 HIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 408751841 CVDLHJNNGLORBS-VGOFMYFVSA-N 404.791 4.048 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408808503 PXWXQDYPCIYWBQ-PXLXIMEGSA-N 424.456 4.135 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1OC 409000688 ZNQLUTUMNRSWNX-RGEXLXHISA-N 405.450 4.137 30 40 HIEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1cccnc1 409327881 XNMNOVAWNBOYPI-UHFFFAOYSA-N 411.303 4.484 30 40 HIEB CCOc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280463 KVABLDHEQSMFLE-JLXBBBJOSA-N 424.517 4.169 30 40 HIEB biogenic COc1cc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc(OC)c1OC 3197422 VPSIVQGONUBSKV-UFFVCSGVSA-N 418.906 4.024 30 40 HIEB C=C(C)Cn1c(SCC(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 5017242 PYIMIPVHDZNFRZ-UHFFFAOYSA-N 417.600 4.064 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 10131252 JCIGLNNBGVGJTH-KNDMVVNHSA-N 412.559 4.113 30 40 HIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 13039389 WVECYWKAESWMGJ-BUHFOSPRSA-N 423.900 4.197 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2C1=O 15595981 ZNJUAZPJKKHRGE-SFHVURJKSA-N 417.490 4.056 30 40 HIEB COc1cc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCC(C)C 20763047 MPRRNXRRGLPWSV-QGZVFWFLSA-N 406.434 4.094 30 40 HIEB biogenic COc1ccc(CN(C)c2cc(C)c(C#N)c3nc4ccccc4n23)c(OC)c1OC 22239887 VNXJIJNDLFDYKL-UHFFFAOYSA-N 416.481 4.330 30 40 HIEB N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288568 GZVDMFPHXMKRRV-IBGZPJMESA-N 406.873 4.344 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495399 GDWCWRWHYGOYFG-YQVWRLOYSA-N 424.305 4.006 30 40 HIEB CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1I 408595663 XOXDDZRDOHZYFO-RGVLZGJSSA-N 406.223 4.112 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)N1CC 408850120 GHCKXTLGMSMCSY-WGZDZCCCSA-N 401.444 4.176 30 40 HIEB Cc1nnc(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n1C1CC1 541708553 QDGORPHKOKEWCQ-UHFFFAOYSA-N 407.861 4.169 30 40 HIEB COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 796004 VVHYQFXVNNVWTB-OAQYLSRUSA-N 419.433 4.081 30 40 HIEB biogenic,in-vitro CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 801592 RGYFHFVZVIOUAU-HXUWFJFHSA-N 420.490 4.320 30 40 HIEB CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1cccs1 2181079 KIBAUQVFDACJRD-UHFFFAOYSA-N 403.558 4.307 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccc(OC)cc3)ccc21 8958728 XDXRZCHLCDMUAB-UHFFFAOYSA-N 408.498 4.204 30 40 HIEB COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2ccc(C#N)cc2F)cc1OC 11282733 DBRJEDODZIUNFO-UHFFFAOYSA-N 414.433 4.056 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c1 13653576 DAVAYDQMGPVISK-SRMCNWIXSA-N 409.482 4.258 30 40 HIEB biogenic CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1cccc(C(C)=O)c1 17242300 KQIILKGENGBZTL-NVWMPKGRSA-N 423.538 4.486 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 20503238 OASXAPUTGSRTKR-DEOSSOPVSA-N 405.498 4.319 30 40 HIEB C=CCn1c(SCC(=O)c2ccc([C@@H](C)NC(C)=O)cc2)nnc1-c1ccoc1C 24509810 NILHDJOFDQRAJW-CQSZACIVSA-N 424.526 4.205 30 40 HIEB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)c1C 59484503 FXEKEFVHVWPMQC-PGAZUGQPSA-N 407.469 4.053 30 40 HIEB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)c1nc(C#N)c(C#N)nc12 100198470 UHCNCMWTVUSMPA-RBZFPXEDSA-N 411.387 4.032 30 40 HIEB CCOc1cc(/C=N\O)cc(I)c1OCc1ccc(F)cc1 100250372 JYQZMFFFOIUWAT-OCKHKDLRSA-N 415.202 4.216 30 40 HIEB CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)S/C1=N/c1cccc2ccccc12 100261645 LVJWTGLIZATCNR-XMVGPFMNSA-N 403.507 4.108 30 40 HIEB C=CCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424573 TYUJGCPOEZBDGM-UHFFFAOYSA-N 408.907 4.304 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 408589584 LZALUDDCCJQAMU-ZCMLJCOHSA-N 419.912 4.135 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC 409006736 LBJGREPVQXBLNJ-PGMHBOJBSA-N 407.491 4.376 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)S/C1=N/c1ccc(F)cc1 409239793 FENNUCWTJUFAES-XTJABLFPSA-N 416.474 4.475 30 40 HIEB COc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1O 409406739 YMAJSVSZCBFTOF-UHFFFAOYSA-N 405.841 4.313 30 40 HIEB CC(C)(C#N)CNC(=O)c1cccnc1SCc1ccc(Br)cc1 611688139 IGHCUHRUNZVIDH-UHFFFAOYSA-N 404.333 4.416 30 40 HIEB Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 809421 OTQOUYWUQIJRDI-UHFFFAOYSA-N 400.447 4.155 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2[nH]c(C)c(C)c2c1 816362 GQBYQIPCIRFQDF-UHFFFAOYSA-N 421.526 4.231 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1occc1C 2636846 PQBRGLBURLKIQH-GOSISDBHSA-N 408.527 4.318 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 102806125 MVINXHQASGCIEC-UYTDBDHRSA-N 400.843 4.324 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1OC 408891676 AYBXUIWMJDKQGS-RGEXLXHISA-N 411.498 4.265 30 40 HIEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1Cl 2238849 BSIHSTWCDVUSGZ-PMDYYOJLSA-N 402.859 4.281 30 40 HIEB C=CC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 67665371 PHAXMMMKRGSDIV-SWMJRZLBSA-N 416.558 4.362 30 40 HIEB in-vitro COC(=O)c1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 409384835 FDOYXRNCYCANRM-WYMPLXKRSA-N 423.421 4.411 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 6785148 FKABMQIVSNGYPG-YDJIHCHBSA-N 412.917 4.104 30 40 HIEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)S2)cc1 8916881 FQAIEDXSEVPUTC-UYRXBGFRSA-N 419.462 4.076 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OCC 409197095 VTDSKXFENMJYNH-XSFVSMFZSA-N 406.482 4.305 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC[C@H]3C)c3ccccc23)C1=O 409134303 OAYJJRNFCFNKLP-FPXKJXHESA-N 423.538 4.265 30 40 HIEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccc2ccccc2c1 408743755 XXPVPOFPGMCICM-BYWZACNXSA-N 407.882 4.260 30 40 HIEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225713776 LESUIDBAEQZRIA-UHFFFAOYSA-N 404.513 4.010 30 40 HIEB Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)c2ccccc21 585294058 NGIKUKBWTCQNTA-NRFANRHFSA-N 414.538 4.982 30 40 HIEB C=CCOc1ccccc1CN1CCC(c2cc(O)nc(-c3ccncc3)n2)CC1 72392720 KUDQVNOGIXMTPR-UHFFFAOYSA-N 402.498 4.189 30 40 HIEB CCOC(=O)c1c(C)nc2c(c1-c1cc(OC)ccc1OC)/C(=N/O)CC(C)(C)C2 5316008 NZBCPRAIUBMMMU-KOEQRZSOSA-N 412.486 4.402 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c([nH]c3ccccc32)c1=O 16890311 PQPJRNFIHMLCMU-UHFFFAOYSA-N 424.913 4.448 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)s1 1464673 RGSQAEJUZDMOSN-AWEZNQCLSA-N 417.899 4.344 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br 3314958 UKFPMYGBISDIDJ-UHFFFAOYSA-N 419.344 4.237 30 40 HIEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc2ccccc2o1 4700846 JZQPZOHEJSCCDR-UHFFFAOYSA-N 418.522 4.328 30 40 HIEB C=CCNc1nnc(SCc2nc3ccccc3c(C)c2C(=O)OCC)s1 5785846 DHKUODHJAZMCEZ-UHFFFAOYSA-N 400.529 4.462 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 9166794 XTSQADWTXIXSHH-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9597190 JOJWFQSOBLXHDZ-UHFFFAOYSA-N 416.277 4.391 30 40 HIEB Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 13477542 KUWRPPIAELNLFS-OCKHKDLRSA-N 413.415 4.450 30 40 HIEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 65590320 ZNHGKZAQYFUGPE-QFIPXVFZSA-N 413.502 4.379 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 100302868 ZFUUNIQSUBNLDS-MOBKVPTQSA-N 415.445 4.330 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 100951137 RHVVAXSNZDSJFK-QGZVFWFLSA-N 411.527 4.176 30 40 HIEB C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294122 YSVDKBMSNIWAGB-NHFXJNLRSA-N 420.421 4.076 30 40 HIEB Cc1sc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 102632130 HVCSFLDSJWXOSE-JYBIWHBTSA-N 406.507 4.385 30 40 HIEB CN1/C(=C/C(=O)COC(=O)c2ccc(Br)o2)C(C)(C)c2ccccc21 103112084 LODWRJKHDVAGNI-MHWRWJLKSA-N 404.260 4.080 30 40 HIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1 408908389 CDQWIFGDXMGYJM-QRVIBDJDSA-N 421.409 4.327 30 40 HIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3N3CCCC3)nc2c1 1354778 QGFGZXYVQVZSEC-UHFFFAOYSA-N 418.522 4.446 30 40 HIEB CCOc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 4680852 NYWFBWWPIBNWTC-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC(C)C 5489556 UYNRCXSRYUOQMI-AWEZNQCLSA-N 422.909 4.024 30 40 HIEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967451 DKQSTJRAXGFPSO-ZDUSSCGKSA-N 400.360 4.169 30 40 HIEB CCc1ccc2nc(NCCNC(=S)Nc3ccccc3OC)c(C#N)cc2c1 35311102 LLIGDWIJSFRXRL-UHFFFAOYSA-N 405.527 4.076 30 40 HIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCn3nc(C)cc3C)cc1)C2 95478948 LXBSCVNDVJYUPL-NDENLUEZSA-N 418.493 4.419 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(O)cc1 100819805 CZUXWLKNPRYACQ-LRWZUSMTSA-N 415.902 4.192 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1 102865041 JVZAJAOPOVFVTG-MRJHHRETSA-N 418.449 4.004 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 408789178 OHXBACXYMXAEIB-LJQANCHMSA-N 409.869 4.480 30 40 HIEB CCN(CC)c1ccc(/C=N/NC(=S)N/N=C/c2ccc(N(CC)CC)cc2)cc1 1682564 VUDOPSLDLNMJFU-WZGDJCGDSA-N 424.618 4.211 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3cccc(Cl)c3C)o2)cnn1C 2797860 JGISNVYTICWFBX-BHGWPJFGSA-N 414.893 4.444 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccc(Cl)s2)n(Cc2ccco2)c1C 7458139 ZPYDIWJQCSQLNT-UHFFFAOYSA-N 416.934 4.403 30 40 HIEB COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2)cc1 7505596 ZGGAFISKWZHYLO-SYZQJQIISA-N 409.463 4.098 30 40 HIEB COc1ccccc1Nc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 25930215 GQDRJECVUVSFKP-LLVKDONJSA-N 417.541 4.024 30 40 HIEB N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 57505672 TZONQRRBDACIBG-UHFFFAOYSA-N 409.902 4.345 30 40 HIEB N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cc3ccccc3oc2=O)cc1 102230111 ADHODUXHUZNVDR-SLEBQGDGSA-N 405.413 4.272 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102803983 JPRMYPJEXJHNAY-YDJIHCHBSA-N 420.490 4.164 30 40 HIEB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccccc1C#N 408630844 DCTYFVDMSNXBNC-GRSHGNNSSA-N 423.450 4.055 30 40 HIEB Cc1ccc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc1 408748661 GCWGJLXHNQGSOM-XNTDXEJSSA-N 420.275 4.491 30 40 HIEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cccc([N+](=O)[O-])c1 408754649 WWWKYCXOKFNRLX-VGOFMYFVSA-N 404.791 4.048 30 40 HIEB CCOc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1ccccc1Cl 408857738 WGSUUUREUCKSLQ-SRZZPIQSSA-N 402.907 4.389 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409303877 OTIZLVIMJYPBDE-GFCCVEGCSA-N 400.276 4.260 30 40 HIEB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OC(F)F 409349340 PYTABDHTXMIDFV-MFOYZWKCSA-N 416.405 4.405 30 40 HIEB N#Cc1c(NC(=O)c2cccc(I)c2)sc2c1CCCC2 1506604 WUMKXGWUJHOLCG-UHFFFAOYSA-N 408.264 4.355 30 40 HIEB Cc1c(C(=O)OCC(=O)Nc2cccc(C#N)c2)oc2ccc(Br)cc12 3332070 HWRHJYGYLOMDKA-UHFFFAOYSA-N 413.227 4.171 30 40 HIEB Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C#N)cc1 5238324 XXUSBFSNIUNWRF-MRXNPFEDSA-N 418.522 4.353 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1OC 9109903 IAGYUVIKKIJPNR-MWTRTKDXSA-N 416.481 4.019 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 9433795 QHQYVHJQEQMMBW-HXUWFJFHSA-N 418.405 4.275 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(C)c32)cc1O 18198339 IOPGHBKHZCAHAI-RNODOKPDSA-N 407.495 4.452 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCCC(C)C)cc1 32828716 TUOQHRRJUDJENF-FQEVSTJZSA-N 408.527 4.435 30 40 HIEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3cccc(Cl)c3)o2)[nH]c(=O)c1C#N 107724592 DJZMHLCXZFYHPY-FNORWQNLSA-N 411.801 4.385 30 40 HIEB NC(=O)COc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 198080545 CNSLOJWEUSCAEP-YDZHTSKRSA-N 407.451 4.361 30 40 HIEB C=CCOc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cn1 225920760 KEUUDTSSHAQZBZ-UHFFFAOYSA-N 422.403 4.356 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 408618000 IOBHLENOKPESSG-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN(CC=C)C(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409140901 GTPLNIDKXKJZEF-UHFFFAOYSA-N 418.478 4.303 30 40 HIEB CCCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2cc(Br)ccc21 4554117 RYKGEGBUIHNFRG-DUIUGDAFSA-N 418.287 4.049 30 40 HIEB Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl 4699836 SVBPDZHBSAHCQX-LTUQMTLXSA-N 405.882 4.378 30 40 HIEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O 5825288 JEVJGLZZICBGDE-NHDPSOOVSA-N 406.434 4.342 30 40 HIEB biogenic C=CCN/C(S)=N\N=C\c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 6170142 GSWVOSBLEPKCQC-FOKLQQMPSA-N 407.898 4.462 30 40 HIEB C=CCOc1c(Br)cc(CNCCc2ccc(OC)cc2)cc1OC 8474301 IJFWBLZVZHMTGV-UHFFFAOYSA-N 406.320 4.363 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1ccc(C)cc1 9569622 TYKPQBTZOBAFOS-KRWDZBQOSA-N 411.527 4.141 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(OC)c(OC)c3)nc2c1 35314793 KLOFDVUVEMXABT-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)S(=O)(=O)c1cccc(C#N)c1 40030870 QHYWKAJKEGESJK-QGZVFWFLSA-N 416.506 4.279 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@H]12 61992803 WLRDUFWIFGLONX-DHWOPMESSA-N 424.585 4.131 30 40 HIEB biogenic C=CCCC(=O)[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 79670100 JVTHREVWRKDEAM-OAQYLSRUSA-N 407.466 4.294 30 40 HIEB N#Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 408850603 PCPMHGBMLCTVCJ-FRKPEAEDSA-N 401.001 4.269 30 40 HIEB CCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1cc(C)ccc1C 408908925 TXVBDICHSAVHOU-FFXWWKDOSA-N 410.495 4.391 30 40 HIEB CC/N=C1/S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C(=O)N1CC 408931837 QVKACWGHNKQVEE-OEEVFVCYSA-N 409.511 4.016 30 40 HIEB COc1ccc(CCN2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1OC 707782 QKTROTCJGIVMQM-UHFFFAOYSA-N 412.493 4.290 30 40 HIEB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N 5675517 RBECVXSNOJDIGY-BOPFTXTBSA-N 400.843 4.492 30 40 HIEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1Cl 6326093 UFMRSMQNIKJMTB-AWEZNQCLSA-N 402.368 4.433 30 40 HIEB CCn1c2ccccc2c2cc(/C=N/n3c(S)nnc3-c3cc(C)n[nH]3)ccc21 6785934 CPRYOLMVLYEMHD-WSDLNYQXSA-N 401.499 4.275 30 40 HIEB CCOC(=O)c1c(-n2cccc2)c2c(-c3ccccc3)c(C#N)c(OCC)nc2n1C 8705186 QSGDGYNGHGPUBW-UHFFFAOYSA-N 414.465 4.478 30 40 HIEB CC(=O)c1ccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)cc1 12324443 YTHYSBLDMSEEDO-UHFFFAOYSA-N 411.461 4.329 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2cccc(I)c2)c(OC)c1 15305257 XNOVDRWCVHMJBZ-UHFFFAOYSA-N 423.250 4.046 30 40 HIEB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1C 59484502 FXEKEFVHVWPMQC-ZCOIRKDISA-N 407.469 4.053 30 40 HIEB COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 100939272 RQRDNJPELKOCKQ-PMDYYOJLSA-N 402.859 4.066 30 40 HIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc2c(c1)OCO2 409286348 YKUNCVDOWAPCPT-UHFFFAOYSA-N 409.401 4.421 30 40 HIEB COC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc2c1CCCC2 1014146 GHMRSRWLSJNORB-UHFFFAOYSA-N 415.540 4.028 30 40 HIEB N#C[C@H](C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 3334969 ZXOWUNFZWAYKRA-CYBMUJFWSA-N 401.241 4.016 30 40 HIEB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 25668400 WSSJIEJGRGLBRS-UHFFFAOYSA-N 406.429 4.205 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1cccc(F)c1 19787699 JRRWJPZUJHXWQB-XRNAITRYSA-N 422.500 4.145 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@H]1c1ccccc1 7990964 GWQDTMCGVTZEPC-KRWDZBQOSA-N 411.527 4.223 30 40 HIEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCCCC2)cc1 8161168 MAHMWZPVESJPLB-UHFFFAOYSA-N 408.571 4.169 30 40 HIEB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccccc2)c(C)c1 9613284 ZJEQMZHEJHGASZ-HYARGMPZSA-N 424.482 4.458 30 40 HIEB C=CCNC(=O)/C(=C\c1ccc(-c2cccnc2Cl)o1)NC(=O)c1ccccc1C 13563433 WHEMEGQMXPQBCO-XMHGGMMESA-N 421.884 4.377 30 40 HIEB S=C(N/N=C/c1cc(Br)c(Br)o1)Nc1ccccc1 1101260 LYVUGRRGIZDNHP-VIZOYTHASA-N 403.099 4.125 30 40 HIEB O=C1/C(=C\c2ccccc2)CN(C(=O)CCN2CCCC2)C/C1=C\c1ccccc1 1624827 MQKOVQRHVUBDFD-QFFDILLMSA-N 400.522 4.051 30 40 HIEB C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 2212285 SNLVZQRDYKDHGH-LJQANCHMSA-N 411.841 4.200 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(Cl)c(C)c3)o2)cnn1C 2798197 IJCOEJZGEJYPNM-BHGWPJFGSA-N 414.893 4.444 30 40 HIEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1 6785049 UCCBMHZUIOXWGI-JBCNATCCSA-N 410.514 4.050 30 40 HIEB N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7203547 OCRKQGYKIKCBIF-CQSZACIVSA-N 406.536 4.472 30 40 HIEB CCOc1ccc(/C=N/OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1OC 7737874 NJMVLULFJMLBQU-ZVHZXABRSA-N 414.502 4.389 30 40 HIEB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 10218530 LXZFARAJMNRAOA-OAHLLOKOSA-N 416.568 4.246 30 40 HIEB COc1ccc(/C=N\OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 12436977 FFORQTARUSEPOP-KSEXSDGBSA-N 407.499 4.167 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1cccc([N+](=O)[O-])c1 13779120 QZVQGJUYQZVBMJ-UHFFFAOYSA-N 417.272 4.487 30 40 HIEB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/c1ccc([N+](=O)[O-])cc1 15240248 JJBRKDMLPNWHSF-BOURKTIISA-N 417.381 4.104 30 40 HIEB COc1cc(/C=N\n2c(-c3ccc(C)cc3)n[nH]c2=S)cc(Br)c1O 19860981 NSRVLRWXKLCRSB-OCKHKDLRSA-N 419.304 4.275 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1nc(C(F)(F)F)nc1N2 19960044 BCORQVMMTVMBEE-APPDUMDISA-N 418.350 4.445 30 40 HIEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccccc3C#N)o2)c1[N+](=O)[O-] 33634567 XCDUYEGOWQDRBF-SOFGYWHQSA-N 402.366 4.016 30 40 HIEB CSc1nccn1-c1cccc(C(=O)NCCSCc2ccccc2C#N)c1 40135743 DTSMEBLBFXDYPC-UHFFFAOYSA-N 408.552 4.129 30 40 HIEB N#Cc1ccc(NC(=O)CCN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1Cl 79053398 ZKOONLKTHHBLOC-OAQYLSRUSA-N 423.900 4.369 30 40 HIEB N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2=CCCCC2)CC1 95453433 SLYOLYQNIPGSOT-IBGZPJMESA-N 402.336 4.048 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 6691007 LTCVLKYFDVHJDL-JOCHJYFZSA-N 415.445 4.487 30 40 HIEB Fc1ccccc1-c1nnc(S)n1/N=C/c1c[nH]c2ccc(Br)cc12 9386958 IDBRYZDSLPYZAX-ZVBGSRNCSA-N 416.279 4.499 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 9483287 LRDHJVUYCMLYJT-DEOSSOPVSA-N 419.525 4.058 30 40 HIEB O=C(O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1 12376495 WNDPOWHXYVZJNT-VKWHMPGMSA-N 424.400 4.192 30 40 HIEB COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 12408549 WYJVGZPFKSOWPD-JEOXALJRSA-N 424.482 4.128 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C=O)cc3)c2C#N)C1 32124740 ICMFJJSTPISAPC-INIZCTEOSA-N 424.522 4.379 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 104695390 JXMLMNHIVWVEGK-YYSZAQQKSA-N 401.249 4.394 30 40 HIEB COc1ccc(C/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408859345 WAAXMBHZZIFTPS-CFRMEGHHSA-N 406.438 4.118 30 40 HIEB C/N=C1/S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C 408930317 VIHBZFBSDNRHAZ-ZUBIIHIGSA-N 406.467 4.130 30 40 HIEB CCN(CC)S(=O)(=O)c1cccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 3169004 KCIHGOYYVGCCKT-CJLVFECKSA-N 412.555 4.211 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4401807 RINJXMPCGKUNLO-KGENOOAVSA-N 411.439 4.117 30 40 HIEB N#CCCn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nc2ccccc21 5267600 XJUPWIWZEQCFEW-UHFFFAOYSA-N 408.571 4.375 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(COc4ccccc4)nc3c2[C@@H]1c1ccccc1 5345053 HDFZQHSDNCUSAU-OAQYLSRUSA-N 412.449 4.091 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 5498808 KSWFDBAMZXBNIZ-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Br)cc1 9311786 KSOLXNKIJCOGNC-FSJBWODESA-N 422.282 4.487 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 12418605 WNHOYDQCRPWLBL-CMDGGOBGSA-N 404.495 4.049 30 40 HIEB CCOc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 13503501 IPPPOORLEYRDHM-UHFFFAOYSA-N 421.478 4.007 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCCCC3)C2=O)c1OC 20611576 FOZVYOUQOFKHMO-STZFKDTASA-N 409.482 4.402 30 40 HIEB biogenic CN(C)/C=N/c1cnc([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)s1 96305390 HNPRIXYVMBGPJH-AHURVMIPSA-N 405.738 4.206 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)ON=C3c3ccccc3)c2)cc1 409079085 JQWVAAVLSXUVHD-RCCKNPSSSA-N 419.458 4.107 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC 4119624 YOVHEWKELBMXQL-OFNKIYASSA-N 410.466 4.032 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@@H]2c1ccc2c(c1)OCO2 5190820 NCXQUDXFPZQCHH-OAQYLSRUSA-N 406.438 4.335 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Cl)c1 19973793 KEIQQMYMHRNROU-IBGZPJMESA-N 416.905 4.243 30 40 HIEB COC(=O)c1ccc(CSc2nc(N3CCCCC3)c3c(c2C#N)CCCC3)o1 20573239 PZNQEOPNACRZPI-UHFFFAOYSA-N 411.527 4.494 30 40 HIEB CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nc2ccccc2s1 100628264 AXJLISADDRPJIU-DPFXTCQJSA-N 414.487 4.026 30 40 HIEB O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NC[C@H]1CCCO1 408802356 ZKSJUUUJWSIFNH-MERTWQSDSA-N 407.297 4.418 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC 4736370 PVCGECASBJOHHL-ZDUSSCGKSA-N 415.544 4.024 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)sc1C 6812801 NWGABZPBNCRCDG-MRXNPFEDSA-N 412.492 4.310 30 40 HIEB CN(Cc1ccccc1F)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N 8156753 WRTNFTREZAILKR-UHFFFAOYSA-N 418.497 4.420 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12733636 LGDRGUXJSSIXAI-UHFFFAOYSA-N 411.889 4.324 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S 15012494 FUKDLIIPDRNNAX-MOSHPQCFSA-N 407.539 4.030 30 40 HIEB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)c1 18127088 HSKCYUWMNBVJQN-COPMAWBXSA-N 411.527 4.292 30 40 HIEB C=CC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 67665369 PHAXMMMKRGSDIV-KKZPJREQSA-N 416.558 4.362 30 40 HIEB in-vitro COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 102532536 FKHQIKMPFHAGFS-WOOAAIBNSA-N 420.490 4.395 30 40 HIEB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408737704 VNKQEWOESPEWSZ-RGEXLXHISA-N 414.373 4.159 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1cccnc1 1438383 XHXNEOBLLLIYPC-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 4562085 LBKDMGRHMLNRKV-BUVRLJJBSA-N 403.507 4.310 30 40 HIEB CC1(C)S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 4744565 OMWGPBUFUAWSDE-SAPNQHFASA-N 400.934 4.005 30 40 HIEB Cc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C#N)cc1 5238307 LAAKSIXOBSBQNL-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 5409024 QBZICVFSTIWOLR-OAQYLSRUSA-N 409.482 4.247 30 40 HIEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1 5546251 RTNUNBDAKFQCAZ-NXBZYNMESA-N 418.522 4.314 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2sc(-c3ccccc3)cc2c1=O 6111689 LYJDBEKBKCVSSB-ZDUSSCGKSA-N 411.552 4.070 30 40 HIEB Cc1ccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)s2)cc1 7183030 LEIUPDGUSBGWJU-CYBMUJFWSA-N 401.542 4.324 30 40 HIEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 9070995 DHNAGVVHMJTHPC-NHFXJNLRSA-N 424.884 4.070 30 40 HIEB O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S/C1=C/c1cccc(C(F)(F)F)c1 14920713 RVCIDIJNDZEUMW-NBQHNPGWSA-N 420.372 4.208 30 40 HIEB COc1ccccc1C(=O)/N=C(/Nc1nc(C)cc(C)n1)Nc1ccc(F)cc1F 17088824 UTFFQPLLACGECY-UHFFFAOYSA-N 411.412 4.101 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])o1)c1ccccc1 408730489 GVTJMLWENGBJQH-IBGZPJMESA-N 405.435 4.001 30 40 HIEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Br)cc1)CCCC3 3147242 BEJIXEMRWMZDTC-KEBDBYFISA-N 402.317 4.290 30 40 HIEB S=C(NCc1ccccc1)N/N=C/c1cccc(OCCOc2ccccc2)c1 4196536 ATEWLERSHAAKEB-XIEYBQDHSA-N 405.523 4.143 30 40 HIEB CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 4538176 GCGXEURJFYTODY-OAQYLSRUSA-N 418.449 4.242 30 40 HIEB C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 5776453 MYJRAZSUWNIBJX-GXTWGEPZSA-N 404.605 4.310 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)no1 5800512 OPCCBMYTGITFOG-SFHVURJKSA-N 410.813 4.125 30 40 HIEB C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccncc1 7087092 OBBLANPENZJVTE-UHFFFAOYSA-N 404.499 4.431 30 40 HIEB N#Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)S(=O)(=O)c3ccccc32)cc1 9664541 XZIBURZBEFDTHK-UHFFFAOYSA-N 407.426 4.033 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)c4ccccc4F)CC3)nc2cc1C 35314143 XGKFBWNRLGUEDF-UHFFFAOYSA-N 402.473 4.215 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@H]12 82051525 QFCBTOZSDBUXDI-DHWOPMESSA-N 424.585 4.131 30 40 HIEB O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)cc(Br)c1O 409091274 PCQUHJTUFDYLGF-GHXNOFRVSA-N 423.060 4.262 30 40 HIEB C#CCOc1c(I)cc(CNc2ccc(C)cc2)cc1OC 409111100 BABYBXNWRLIPJL-UHFFFAOYSA-N 407.251 4.232 30 40 HIEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/n1cnc2sc(C)c(C)c2c1=O 2630304 ZMPXHHZXWYWOKD-LIMNOBDPSA-N 415.881 4.244 30 40 HIEB C=C(C[C@](NP(=O)(OCC)OCC)(C(=O)OC)C(F)(F)F)c1ccccc1 3622227 JTXBQMHCCSVJFI-INIZCTEOSA-N 409.341 4.335 30 40 HIEB Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c(C)n1-c1ccccc1 6830407 CJVKASAOYQFYPL-UHFFFAOYSA-N 407.857 4.415 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 9483186 UJYYKHGLJWINOJ-DEOSSOPVSA-N 403.526 4.357 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)ON=C2c2ccccc2)cc1 13573706 XFPKIJZIWCKVGK-HMMYKYKNSA-N 419.458 4.107 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCCN1C(=O)c1cccs1 32908484 CDTCBEQDUAJRMM-OAQYLSRUSA-N 415.518 4.176 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408705494 HANVRYSNDVQVFL-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB C=CCn1c(S[C@H]2CCCN(CC(C)(C)C)C2=O)nc2sc(C)c(C)c2c1=O 1164584169 TUXDNTVTOPTWKO-HNNXBMFYSA-N 419.616 4.390 30 40 HIEB COc1cc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc(OC)c1OC 2152891 ZQNBKVQLPBLRBV-NVMNQCDNSA-N 422.389 4.141 30 40 HIEB biogenic Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)c1 2404009 LRHMPSQMHKOTHB-UTKZUKDTSA-N 420.538 4.213 30 40 HIEB CC1(C)CC(=O)C=C(NC[C@H]2c3ccccc3CCN2C(=S)NC2CCCC2)C1 4171641 GLMDWTVKRSKELQ-QFIPXVFZSA-N 411.615 4.266 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)c1 4632284 CDSVSASWFOVEIL-LJQANCHMSA-N 415.511 4.150 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 4849164 JAHQSBKABHYECT-UHFFFAOYSA-N 405.479 4.241 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 5446095 AGEZSNCWLWIBNV-UZLBHIALSA-N 411.885 4.406 30 40 HIEB CCOc1ccc(S(=O)(=O)N/C(=N/c2ccc(C(C)=O)cc2)c2ccccc2)cc1 9097310 KVWGRWPQVAJVQS-UHFFFAOYSA-N 422.506 4.345 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CC=C)c1 12063464 QQJODHMLMYDHSR-HSZRJFAPSA-N 401.466 4.387 30 40 HIEB CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1 13553021 NCIQTVJHUGLEHJ-RGVLZGJSSA-N 420.947 4.160 30 40 HIEB COc1ccc(OC)c(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19682311 BLQNAGQSLBMBRN-IMRQLAEWSA-N 413.521 4.425 30 40 HIEB CCOC(=O)C1=C(C)N=C2Sc3cc(C#N)c(C#N)cc3N2[C@H]1c1ccccc1 66089289 LYFRHYDRYBHKLP-FQEVSTJZSA-N 400.463 4.290 30 40 HIEB Cc1ccc(N/C=C2/C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 100020479 HGQMZKKSBJDYMF-JCMHNJIXSA-N 404.491 4.481 30 40 HIEB Nc1nc(N)c2c(n1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1ccc(Cl)cc1 10339117 FOUVAKUOBZAETE-RDTXWAMCSA-N 417.900 4.253 30 40 HIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)cc1 20762545 RCCBPGGKJRPFCZ-WGOQTCKBSA-N 405.498 4.403 30 40 HIEB Cc1ccc2nc(COc3ccccc3C(=O)[C@@H](C#N)c3nc(C)cs3)cn2c1 48787880 MZJXKADOBASEDK-GOSISDBHSA-N 402.479 4.477 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(C)cc1 13804911 XHNPSHRFHYPDTN-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB N#Cc1c(NC(=O)Cc2csc(-c3ncccn3)n2)sc2c1CCCCCC2 65507126 APQAYDOLXUCAMZ-UHFFFAOYSA-N 409.540 4.373 30 40 HIEB O=C1CCCC2=C1[C@H](c1cc(Cl)ccc1O)c1c([nH]n(-c3ccccc3)c1=O)N2 18195870 SJBJUHKQTOIASJ-SFHVURJKSA-N 407.857 4.089 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4776963 YFHBNZGEOYAYIJ-QVKFZJNVSA-N 406.873 4.356 30 40 HIEB CCOc1cc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)ccc1OC 408752162 GLIXFUBIOLPJKM-WOJGMQOQSA-N 413.455 4.202 30 40 HIEB CCCOc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 408605122 WWTMKKVEYROQBC-HKOYGPOVSA-N 423.565 4.087 30 40 HIEB C#CCOc1ccccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409293034 GSBJLJSOWAGUNP-UHFFFAOYSA-N 424.298 4.177 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C(C)(C)C)C1 72391243 SCHBEGNLRXLRAW-SANMLTNESA-N 419.569 4.248 30 40 HIEB C=CCn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nnc1-c1ccoc1C 14142116 HDKNEDXQOFVXQR-UHFFFAOYSA-N 422.510 4.134 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CC)C1 19498608 GAGZRDCSYWENFG-RUZDIDTESA-N 408.517 4.356 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccccc1 102863827 CROJBUGKJPWAQB-HOGKFDNTSA-N 418.493 4.196 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 12442665 RODDZIMNZGTEDK-JJFYIABZSA-N 400.434 4.059 30 40 HIEB COc1ccc(/C=[N+](\[O-])[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1OC 2266929 ZIWZQSQMWSQTMF-PKIWBCANSA-N 402.541 4.276 30 40 HIEB O=C1C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)c2ccccc21 3370948 HOWWKPJJVJIFPB-UHFFFAOYSA-N 408.045 4.380 30 40 HIEB Cc1cc(Cl)ccc1OC/C(O)=N/c1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 14121730 PGCCSVJDJQRIOA-OKILXGFUSA-N 409.939 4.381 30 40 HIEB CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 5931588 PNURAVZITKDXID-LJQANCHMSA-N 408.479 4.186 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cc(C)cc(C)c1 7759927 OPZHELNOLGCUIE-UHFFFAOYSA-N 407.470 4.199 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1OC 9204937 FGQZLEVKRNEQQI-OAHLLOKOSA-N 424.526 4.268 30 40 HIEB Cc1cc(N2CCOCC2)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409408827 ZNFXIICQDZMVDX-UHFFFAOYSA-N 424.504 4.091 30 40 HIEB N#Cc1c(/C=C\c2ccc(Cl)cc2Cl)c(C(=O)O)nn(-c2ccccc2)c1=O 409201029 NDVLAIRVVSCVSV-CLFYSBASSA-N 412.232 4.280 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)SC1=S 409340432 XBSVHGVPTQRSKD-AQTBWJFISA-N 410.520 4.091 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)Cc3ccccc3)c2C#N)C1 10687030 RJTXQLUUEBXTIW-HNNXBMFYSA-N 416.568 4.078 30 40 HIEB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 12070153 XFJYWXRPVAAJJU-UHFFFAOYSA-N 416.568 4.252 30 40 HIEB Cc1ccc(CN2c3ccccc3C(=O)/C(=C\Nc3ccccc3)S2(=O)=O)cc1 20558764 DMPFJHORLJIMKH-PXLXIMEGSA-N 404.491 4.481 30 40 HIEB Cc1cc(C)c2nc3c(cc2c1)CN(CCN1CCOCC1)/C(=N\CC(C)C)S3 4926861 JIQVBOLTFBGDFY-WCWDXBQESA-N 412.603 4.104 30 40 HIEB Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1C 5546255 IYLBJUCKKPNJMH-NNLCKWJRSA-N 418.522 4.368 30 40 HIEB COc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1 20080364 HWZHUJXIORNBFS-UHFFFAOYSA-N 400.463 4.239 30 40 HIEB C=CCSc1nc2ccccc2n1CN1CCN(c2ccc(C(C)=O)cc2)CC1 23508158 GXLJCKZCYYXKNK-UHFFFAOYSA-N 406.555 4.297 30 40 HIEB COc1cc(OC)c(OC)cc1CNc1cc(C)c(C#N)c2nc3ccccc3n12 25251880 MGMJFHNGDJSBJC-UHFFFAOYSA-N 402.454 4.306 30 40 HIEB CCOc1ccc([C@H]2C3=C(Nc4nc(SC)nc(O)c42)c2ccccc2C3=O)cc1 40382579 QORNNIWXSIOOKR-INIZCTEOSA-N 417.490 4.468 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 102924894 ZAUPXYBSYZHWNQ-GHNGSUTGSA-N 420.292 4.370 30 40 HIEB COc1cc(OC)c(OC)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409283728 PSOLHXQIBORNBA-UHFFFAOYSA-N 421.497 4.352 30 40 HIEB CCCCc1ncc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)[nH]1 585295320 UUEALKWFEBNWKI-OAQYLSRUSA-N 401.518 4.495 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1F 2624069 XUHICVFKUVZQCT-UHFFFAOYSA-N 404.417 4.279 30 40 HIEB C=CCn1c(SCCOc2ccc(C)cc2)nnc1[C@H]1COc2ccccc2O1 6910326 SQXALRGNHGDBBX-HXUWFJFHSA-N 409.511 4.456 30 40 HIEB C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 8821899 ZYUCPIWDQPSVDI-PGMHBOJBSA-N 423.513 4.183 30 40 HIEB CC(C)CC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 4051736 IOYFMRKLUNOGKT-QOCHGBHMSA-N 415.833 4.088 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c1 4333611 LNWZRXBEWIKHQJ-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 6813171 CYXJJJBQXUTNCC-HOGKFDNTSA-N 418.493 4.115 30 40 HIEB N#Cc1c(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)sc2c1CCC2 9861417 XNJDLUYTFFDLED-UHFFFAOYSA-N 416.506 4.411 30 40 HIEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(CC2CC2)C/C1=C\c1cccc([N+](=O)[O-])c1 97284862 ZOXHABRPYOYZME-LQGKIZFRSA-N 419.437 4.265 30 40 HIEB CCOc1c(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)cccc1OC 409057787 MEMNLRWGFQMTEE-RTPPHFGYSA-N 412.467 4.026 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242495402 GDWCWRWHYGOYFG-ZHALLVOQSA-N 424.305 4.006 30 40 HIEB CCCCNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc12 2255792 ABVNLXVMCSEYIU-LGJNPRDNSA-N 420.904 4.232 30 40 HIEB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)c(C(=O)O)c1 100260992 HRYKYPIAHNZLFJ-CYEOZNNUSA-N 416.842 4.001 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@@H]12 20756190 DMMIXJHWIBEAFH-MXCHMSEPSA-N 400.607 4.251 30 40 HIEB biogenic C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C 6478240 OSLOEIXEWKGLRI-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 7193466 GZZZMAFUBDTPLU-LBPRGKRZSA-N 414.874 4.293 30 40 HIEB CCCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1ccc(C)cc1 8363042 BAWMPNUGSGINSN-NMSSZPRHSA-N 410.495 4.472 30 40 HIEB C/C(=N\Nc1nc(Nc2ccccc2)nc(-n2nc(C)cc2C)n1)c1ccc(F)cc1 17090604 ZNTLJHZAXCKUFN-LQKURTRISA-N 416.464 4.393 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc(OCC)c1O 19531814 VWGIZZVVPDJXSR-SIKLNZKXSA-N 420.557 4.171 30 40 HIEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1c[nH]c4ccccc14)N(C)CC3)OCO2 20113904 SFCDKHFGEPUQLE-AQKVLALTSA-N 404.466 4.107 30 40 HIEB biogenic C[C@@H](Sc1nncn1Cc1ccco1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22194024 RPDJHGJNHPDNCB-RVZJCZPVSA-N 408.527 4.281 30 40 HIEB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 32254270 PLVSPWVHLBFPNO-LJQANCHMSA-N 421.566 4.334 30 40 HIEB CCOC(=O)COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OCC 33677468 STOAARQXBPITSK-NHDPSOOVSA-N 421.837 4.035 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2c(Br)cc(O)cc2Br)c1 38162396 LQLMIDNSZFGTJZ-OMCISZLKSA-N 416.025 4.282 30 40 HIEB N#Cc1c(F)cccc1NCCNC(=O)COC(c1ccccc1)c1ccccc1 48342552 RDFVCMAWXMUDRG-UHFFFAOYSA-N 403.457 4.032 30 40 HIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)N1CC 408928695 DMCZGVXJZFJKPV-PIJRJAKLSA-N 411.527 4.193 30 40 HIEB O=C(CC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 627281322 UMULEPFXAFOUAS-SCSAIBSYSA-N 424.084 4.112 30 40 HIEB C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc(OCC)c1O 1010874 BOWHMLZCZGZPBR-UYRXBGFRSA-N 410.495 4.420 30 40 HIEB C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1 4285943 YBSHGTXLCPOUBI-UHFFFAOYSA-N 408.571 4.308 30 40 HIEB CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccs2)cc1 5920309 FOLATDPCHZYAIB-GOSISDBHSA-N 423.446 4.301 30 40 HIEB COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1OC 8493426 AGCMOANHTLMOPP-VMPITWQZSA-N 405.410 4.075 30 40 HIEB O=C(/C(=C(/S)NCc1ccccc1)[n+]1ccccc1)c1ccc(OC(F)F)cc1 12655460 UVTXSPCZHKJRJJ-UHFFFAOYSA-O 413.469 4.304 30 40 HIEB Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c(C)o1 16615103 SNASLBQGUSGXED-UHFFFAOYSA-N 423.444 4.169 30 40 HIEB Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccccc2)cc1 16741462 IUJBHGBWEWPPQZ-FQEVSTJZSA-N 423.534 4.354 30 40 HIEB C[C@H](Sc1nncn1Cc1ccco1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22194026 RPDJHGJNHPDNCB-SLDJAQPHSA-N 408.527 4.281 30 40 HIEB Oc1c(Br)cc(Br)cc1/C=N\Nc1nc2ccccc2[nH]1 51012106 GZJNJERKZOBKPS-IDUWFGFVSA-N 410.069 4.240 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1F 102297566 XQQXBYHHZLPIAI-RVKKMQEKSA-N 402.539 4.303 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102725856 VOCWVNDDXDGXRT-SELCWUDQSA-N 410.451 4.070 30 40 HIEB CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2O)C2=C1CCCC2=O 409036649 SARNEGBCRSJGQO-UHFFFAOYSA-N 402.288 4.198 30 40 HIEB Cc1ccc(N2CCN(c3c4c(c(C#N)c5nc6ccccc6n35)CCC4)CC2)cc1 715602 UQLDAGJYXAIEMM-UHFFFAOYSA-N 407.521 4.483 30 40 HIEB CC(C)CCn1nc(C(=O)OC/C(O)=N/[C@@H](C)c2ccccc2)c2ccccc2c1=O 3279985 AYMGRERSQUQXHQ-KRWDZBQOSA-N 421.497 4.317 30 40 HIEB C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1nc(-c2ccccc2)cs1 7943117 NDUSYHMKOQDXCY-UHFFFAOYSA-N 418.522 4.139 30 40 HIEB C=CCOc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 14408784 QJPXUXSEERQWLG-VCHYOVAHSA-N 421.207 4.276 30 40 HIEB CCCOc1c(Br)cc(C(=O)N(CC#N)c2ccccc2)cc1OC 57991214 VWBOROLKQVHJGF-UHFFFAOYSA-N 403.276 4.417 30 40 HIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1 408654105 JRVMQEIHUUYRKS-ZVHZXABRSA-N 401.470 4.213 30 40 HIEB COc1ccc(Br)cc1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408963645 DCBIAYCFLUXPQE-OQLLNIDSSA-N 407.264 4.488 30 40 HIEB CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 714569 AZJDFQILOIEHRP-FQEVSTJZSA-N 408.523 4.401 30 40 HIEB CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 813578 NYRSJZZCKXOVET-QFIPXVFZSA-N 404.466 4.094 30 40 HIEB C[C@@H]1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2N1C(=O)c1c(F)cccc1F 1385979 INXUEIYPACZFLN-OAHLLOKOSA-N 417.415 4.419 30 40 HIEB CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1 2356297 SCOAMEOSHXGZAW-XJYRWHQTSA-N 412.540 4.172 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)cc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 4182729 MSTZTORQVACHGQ-DSNGMDLFSA-N 423.509 4.103 30 40 HIEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccc(Cl)cc1 4199631 HIJNJUMUJMOUEO-NRFANRHFSA-N 424.888 4.397 30 40 HIEB COc1ccc(Br)c(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1 4660163 QMVLHHPEENWPED-DHDCSXOGSA-N 407.264 4.488 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 6003391 SEXPIJVLDMLQSS-SJKOYZFVSA-N 411.527 4.234 30 40 HIEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1C1CCCCC1 8189861 VXBOAWKJEGWWSM-UHFFFAOYSA-N 401.561 4.244 30 40 HIEB C=CCOc1ccc(/C=C2\C(=N)N3N=C(CCCCC)SC3=NC2=O)cc1OC 9435042 AQLOGSIBQAIXLT-RCFILRSGSA-N 412.515 4.459 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@@H]3C2=O)c(C)c1 13811466 HPYXJYJECHFNPV-HJOGWXRNSA-N 423.472 4.226 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44901066 NWVUKAPHTBKMKI-UHFFFAOYSA-N 411.505 4.417 30 40 HIEB N#Cc1c(Cl)nsc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F 52426907 VXRPKFWWKWSXGV-UHFFFAOYSA-N 402.829 4.136 30 40 HIEB O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F 101642096 YJVRTWAWOWTNGA-UHFFFAOYSA-N 417.159 4.103 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102401939 CWLIPUQOONQPCG-CNVXJRLLSA-N 411.523 4.472 30 40 HIEB COc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409063262 JPSXJJYHQZKVDS-UCQKPKSFSA-N 420.425 4.067 30 40 HIEB C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC 409065573 JKHQLQDYLJTEQR-UHFFFAOYSA-N 407.510 4.476 30 40 HIEB COc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1Cl 409133247 NGCZWYMKHLUJNE-DHDCSXOGSA-N 407.278 4.402 30 40 HIEB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OC)S/C1=N/c1ccc(F)cc1 409242568 ORDWTTYUSIBQKB-WZOFUNJYSA-N 401.419 4.366 30 40 HIEB Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2791716 BTARLAKDFYPBMA-CYBMUJFWSA-N 415.519 4.213 30 40 HIEB Cc1c(CCOC(=O)C2C3CC4CC(C3)CC2C4)sc[n+]1CC(=O)c1ccccc1 3176617 URCBQYXSLDVBDB-UHFFFAOYSA-N 424.586 4.385 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c1 102803663 KCVOQTAHJOFIBZ-NHFXJNLRSA-N 420.852 4.370 30 40 HIEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222845133 OVELHRYYTIVPIC-OAHLLOKOSA-N 405.325 4.255 30 40 HIEB Cc1c(/N=C/c2ccc(OC(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C 3185964 WGOHGFIEEWGSQV-BUVRLJJBSA-N 401.422 4.047 30 40 HIEB COc1ccc(C(=O)NC(=S)[C@@H]2CC/C(=C\c3ccc(F)cc3F)C2=O)cc1 5446711 NSIWAGUYPRRWJV-IDKBZEPQSA-N 401.434 4.093 30 40 HIEB COc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1 5652341 JAHJAOWYZVTTLZ-UHFFFAOYSA-N 418.475 4.136 30 40 HIEB aggregator CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 9240786 SSADOHHUKNRCFT-YDJIHCHBSA-N 424.884 4.070 30 40 HIEB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(CCC#N)c3ccccc3)o2)cc1 9883269 XPMJYZZDSDFNEW-UHFFFAOYSA-N 417.465 4.073 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc1 12869886 TXQUXUDBAIUNMA-BKUYFWCQSA-N 400.386 4.309 30 40 HIEB biogenic N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSCc1ccccc1)CCCC2 33143949 AESRWKCBXRLUOD-SFHVURJKSA-N 409.555 4.289 30 40 HIEB COc1cccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 102872418 DFFBZGPOVFGPER-JBCNATCCSA-N 403.434 4.219 30 40 HIEB C#CCOc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1 409038346 OKPBIFFETSOPKU-LCYFTJDESA-N 406.310 4.200 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 409053552 KWXWWFCXWKTQEW-VBKFSLOCSA-N 413.882 4.202 30 40 HIEB CCOC(=O)Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OC 100299473 GMLJZYFTNNXILS-OUUNKBNMSA-N 412.467 4.464 30 40 HIEB C#CCn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 1138193 BMJHQKJEUZGXSU-NDENLUEZSA-N 417.446 4.419 30 40 HIEB O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCc1ccc(Cl)cc1Cl 3328832 GQCZUISMPLPFEM-LIMNOBDPSA-N 403.212 4.262 30 40 HIEB C#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 58537415 CEWDGVSFKOMNCD-MGPUTAFESA-N 415.896 4.044 30 40 HIEB COc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)c1 13727044 OSXLJEFTAVQSML-JJFYIABZSA-N 400.434 4.059 30 40 HIEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OC 409101703 QPJCURSDVORAGR-YXSASFKJSA-N 404.186 4.326 30 40 HIEB CN(C)c1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1 408753298 NOEGLTUDVOCHBT-CXUHLZMHSA-N 402.863 4.206 30 40 HIEB C=CCOc1ccc(Br)cc1/C=N/n1c(S)nnc1-c1ccccc1 409060152 UBPJUQPFLNRICA-UDWIEESQSA-N 415.316 4.443 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O 409133088 MKNVPSIDGCFCDL-SFQUDFHCSA-N 413.271 4.107 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409072620 JVOLYETZITZTKC-XDHOZWIPSA-N 410.495 4.411 30 40 HIEB O=[N+]([O-])c1ccc2c(c1)[C@@H](C#Cc1ccccc1)[C@H]1CCCC[C@]1(N1CCOCC1)O2 36055665 SKBBHBNUUXAXJS-PFATUAPWSA-N 418.493 4.341 30 40 HIEB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1N=Cc1ccccc1[N+](=O)[O-] 254625733 XDSFOTNDMCOTBI-UHFFFAOYSA-N 424.210 4.141 30 40 HIEB C=CC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 65739904 PHAXMMMKRGSDIV-HGQWONQESA-N 416.558 4.362 30 40 HIEB in-vitro C=CCn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccncc1 20173252 LRZCMLGSYVFNLX-CYBMUJFWSA-N 422.539 4.255 30 40 HIEB N#Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 6760751 BCMKDWHKBXMDHP-GOEBONIOSA-N 401.348 4.260 30 40 HIEB C[C@H](NC(=O)c1ccco1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N 8389014 IQYUCCAEIFKJKU-LBPRGKRZSA-N 405.366 4.021 30 40 HIEB C=CCNc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 11285409 PXCXURGRBUOJJV-UHFFFAOYSA-N 410.373 4.009 30 40 HIEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 12238110 MNUGOMCEASOBHK-KEVCNVLYSA-N 409.526 4.283 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccncc1 19830830 BKMFVQKUGFSMRM-JPYJTQIMSA-N 418.493 4.015 30 40 HIEB C=CCNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)on2)sc2c1CCCC2 27989830 YUODYMHTSNFXMF-UHFFFAOYSA-N 407.495 4.450 30 40 HIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38160076 MFAIQZIFQYSGGQ-KPSZGOFPSA-N 404.688 4.327 30 40 HIEB FC(F)(F)C(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1 104856304 JNPVBEJSEKWQCJ-UHFFFAOYSA-N 421.210 4.276 30 40 HIEB CN1CCc2c(sc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c2C#N)C1 409202527 QXWIVIRGJORZDD-UFWORHAWSA-N 405.277 4.029 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)cc1 4386904 RCEJUQQHBOOLRO-WNSKOXEYSA-N 417.509 4.333 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)c(OCC)c1 5728104 MNDHKTAUGWIJPU-NRFANRHFSA-N 419.477 4.225 30 40 HIEB C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 5993547 VVXAGYITRMJHTR-UHFFFAOYSA-N 407.539 4.211 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 6869740 DVMKFZONUBJAHV-ZHZULCJRSA-N 411.527 4.442 30 40 HIEB Cc1c(C#N)c2ccccn2c1/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 12559269 PCNFDFUACUROCU-BSYVCWPDSA-N 405.504 4.407 30 40 HIEB C[C@H](NC(=O)CO/N=C/c1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 12619813 GYRZMUFVHMMPTP-ZJMPZXDZSA-N 406.473 4.360 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1OC 20195728 WAEWCGKVDLLTFZ-CVKSISIWSA-N 401.466 4.278 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3ccccc3Cl)c(C#N)cc2c1 35312352 QOBWCKOIQQNUBK-UHFFFAOYSA-N 411.918 4.167 30 40 HIEB Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 48333237 SYRJAZASUOQUCP-UHFFFAOYSA-N 420.416 4.410 30 40 HIEB C[C@@H]1CC(C(=O)O)(C(=O)O)C[C@@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681924 ZRDCDISSPANBPT-PHDIDXHHSA-N 404.225 4.046 30 40 HIEB CCCN1C(=O)[C@@H]([C@H](O)c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 100296888 XQCOPZGVLCIBGN-LPDJZZSPSA-N 414.527 4.169 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)n(-c2ccccc2)c1C 103470366 MABZVDDXMFTPDL-GBESFXJTSA-N 405.498 4.274 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(N2CCCCC2)o1 408797033 QSNQMQJKODHSGM-HXUWFJFHSA-N 404.466 4.011 30 40 HIEB CCOc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1 409206694 VUIBTDSDKZTDPK-GHXNOFRVSA-N 421.840 4.025 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)ccc1OCc1cccc(F)c1 409401559 BHEAMXFUANKYAH-LATRNWQMSA-N 424.859 4.199 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1 1305213 FVJLNUHIIAGOKI-WBRURWICSA-N 401.513 4.163 30 40 HIEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCOCC1 2352520 CKNABQJOFVJFPH-ZDLGFXPLSA-N 406.265 4.147 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCCC)cc1 2502023 QEKTYDVPVXQOOD-FQEVSTJZSA-N 414.527 4.245 30 40 HIEB CCOc1ccc(-n2c(C)cc(/C(O)=N/S(=O)(=O)c3ccc(C)cc3)c2C)cc1 3186080 LVBOVNDMEAWMBC-UHFFFAOYSA-N 412.511 4.495 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)sc1C 4311352 JSLAFCGCAMMSDD-GOSISDBHSA-N 406.463 4.248 30 40 HIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1=O 4667418 NLIGZSDTODZUGQ-WEVVVXLNSA-N 418.287 4.154 30 40 HIEB C=CCc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 6036788 ZOPUPXKPXCSWAE-OAHLLOKOSA-N 402.487 4.468 30 40 HIEB endogenous,in-man C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccoc1C 6910896 VQUZRGFXONJLIV-LJQANCHMSA-N 408.527 4.318 30 40 HIEB CCOC(=O)/C(=N\Nc1ccc(C(C)=O)cc1)c1csc(Nc2ccccc2)n1 6996203 UICDDFRTLTUCCN-PLRJNAJWSA-N 408.483 4.469 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1 8126467 OZCNLXFBJZWYPC-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)NC1=S 9295843 RCKCMBHMGIARLG-PXNMLYILSA-N 418.305 4.131 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccc(OC)cc1 16737271 ZXSJOCQIPBHMPK-OAQYLSRUSA-N 407.466 4.248 30 40 HIEB Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2c(C)nc3ccccc32)/C(=N/O)CCC1 18208464 JGLNEYZMCHAXFN-KFZWHRDQSA-N 402.498 4.184 30 40 HIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44859078 RAPGDMOFEOWTIQ-JOCHJYFZSA-N 414.465 4.166 30 40 HIEB CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2OC)C2CC2)cc1 52165796 ACWPDFNIOOFGQR-UHFFFAOYSA-N 407.514 4.005 30 40 HIEB CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(OC)cc1 97466969 RFYJITRNLWBBNR-UVOXWLTBSA-N 410.495 4.496 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 102804713 AELFMOCXHTXKSY-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 104146405 WFYCZGRAEONMMF-JBCNATCCSA-N 403.409 4.461 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/O)c3ccccc32)c(C)c1 408729800 DEGSORCMBXZBAL-ICWVZLQBSA-N 422.484 4.314 30 40 HIEB Cc1ccc(C(=O)N2N=C(C(F)(F)C(F)(F)C(F)(F)F)C[C@]2(O)C(C)(C)C)o1 409001059 GHFUQZPDOUALKV-ZDUSSCGKSA-N 418.309 4.358 30 40 HIEB Cc1ccc(COc2ccc(Cl)cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409409664 WFVJKCWURSHVGJ-KLDKWKSESA-N 420.896 4.368 30 40 HIEB COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)c(OC)c1 1081802641 NOUXRSGXVDVKBF-UWSDUSPXSA-N 418.401 4.354 30 40 HIEB C=CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)N(C(C)=O)c1ccccc1-2 2113672 OJJZMNYOXIBYAW-OAQYLSRUSA-N 420.494 4.269 30 40 HIEB CC1(C)C[C@H]2C[C@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)C1 4027729 NBZXMBPRBWXSSQ-BFRZSBEKSA-N 401.591 4.414 30 40 HIEB Cc1[nH]c(=O)nc(N/N=C/c2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 5813084 NWOXODRDGLSXDB-LSHDLFTRSA-N 416.268 4.083 30 40 HIEB COc1ccc(Cc2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 12062836 GSKRHUCFIGHJDA-UHFFFAOYSA-N 408.889 4.126 30 40 HIEB COc1ccc([C@@H]2CCCN2C/C(O)=N/c2nnc(C3CCC3)s2)cc1OC 19658369 WLPLICPSEWBQHS-HNNXBMFYSA-N 402.520 4.248 30 40 HIEB O=C(O)COc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl 408533140 XDJGHKNTSXGRJQ-ZSOIEALJSA-N 423.277 4.348 30 40 HIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408751425 ZGOCGKVSNJXGAJ-NKVSQWTQSA-N 414.809 4.405 30 40 HIEB COc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)c1 408930461 XKUPCPPHLROSQT-BRBBDLJVSA-N 423.538 4.074 30 40 HIEB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O 409231691 FPFXCRZMQGXNCT-BKUYFWCQSA-N 423.538 4.040 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC 409311950 IQAMQTCSCDUVGV-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB N#Cc1cc(Br)cnc1N1CCC(COc2ccncc2Cl)CC1 1889120596 FZACDMROGYWBIZ-UHFFFAOYSA-N 407.699 4.060 30 40 HIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 4677903 FEFYBZBZLUVYIV-UDWIEESQSA-N 401.447 4.291 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(SC)cc2)cc1 9012801 NYFYBTMDVDUYMS-AOMKIAJQSA-N 418.522 4.424 30 40 HIEB CCCn1c(SCC(=O)N[C@@](C)(C#N)C2CC2)nc2ccc(C(F)(F)F)cc21 11021901 VIROEZJDSWWLLF-SFHVURJKSA-N 410.465 4.366 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102510505 DQOGWNUYDDCLBS-MRJHHRETSA-N 402.450 4.480 30 40 HIEB Cc1ccc(NC(=O)COc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408595957 YDVHUZKPWAPDLR-ZVHZXABRSA-N 419.437 4.471 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Br)c1 408791029 ZYVMHDMYJACPQK-QGZVFWFLSA-N 410.267 4.191 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCC2 663313 IOUURZDPVBSSGL-UHFFFAOYSA-N 408.552 4.375 30 40 HIEB aggregator N#CCCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 2624086 RBVWZJTXNNRWJS-UHFFFAOYSA-N 416.459 4.383 30 40 HIEB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 5238249 CTLZVHMWXYZHMT-INIZCTEOSA-N 418.522 4.353 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1 8990596 PLQJFVNSYFKONA-IVZQSRNASA-N 418.449 4.361 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)no1 8996652 ZKNXEMNJMYWAMQ-SFHVURJKSA-N 410.813 4.125 30 40 HIEB CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCC(=O)OC 9197318 RIIPQKXNYSIVAT-LSHDLFTRSA-N 411.285 4.068 30 40 HIEB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 12858675 CGXOQKAXPUBYIZ-UHFFFAOYSA-N 401.401 4.082 30 40 HIEB CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 13116104 VSIQRRPVGRMJLL-UHFFFAOYSA-N 407.539 4.380 30 40 HIEB Cc1ccc(/N=C2\SCCCN2C(=O)[C@H]2COc3ccccc3O2)cc1Cl 14359226 HUIACRKRWLGKDP-ZBKJMMEJSA-N 402.903 4.441 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3cccc(C)c3C)c(C#N)cc2c1 35312354 VUECCWLUXAXGJM-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB CCN(C/C(O)=N/c1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12 82094707 RMVUACYOVFEGNU-UHFFFAOYSA-N 422.481 4.291 30 40 HIEB C=CCN(c1ccc(C(=O)N2CCCC(C)(C)C2)cc1)S(=O)(=O)c1ccccc1 224378801 JVXNPOVSARDCKQ-UHFFFAOYSA-N 412.555 4.330 30 40 HIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224951102 SZWKFXPKLRSCCS-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB COc1ccc(/C=[N+](\[O-])[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1OC 2266931 ZIWZQSQMWSQTMF-LZAZYHHXSA-N 402.541 4.276 30 40 HIEB C=CCN(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 2457563 GZWYHIUNRUJTQU-QFIPXVFZSA-N 423.469 4.116 30 40 HIEB C#CC(CC)(CC)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl 3431111 HDVQFTRAWXZMKD-UHFFFAOYSA-N 418.946 4.087 30 40 HIEB C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccc(Cl)cc1 3592511 DRLUYBMHXNXYOD-GJZGRUSLSA-N 404.967 4.381 30 40 HIEB CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238232 OLGQBISDNYUTME-UHFFFAOYSA-N 418.522 4.382 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc2c(c1)OCO2 9290072 NAFIVOJHTBKEAL-UHFFFAOYSA-N 422.510 4.207 30 40 HIEB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1/N=C/c1ccc(Br)cc1 9373402 LZWIUWYLJIASGU-UFFVCSGVSA-N 424.210 4.141 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1 11181516 DAVJWNLXCDTKMO-UHFFFAOYSA-N 406.438 4.287 30 40 HIEB COc1cccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCOCC3)n2)c1 12952929 KKVJNXJQQPNLME-UHFFFAOYSA-N 423.460 4.072 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C 13952812 UIQKWILIFQSLGE-UHFFFAOYSA-N 420.878 4.224 30 40 HIEB N#Cc1c(N2CCN(C(=O)c3ccccc3)CC2)nc(-c2ccco2)c2c1CCCC2 20573509 OZKKPNLRURPFKY-UHFFFAOYSA-N 412.493 4.054 30 40 HIEB N#C[C@@H](C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 26019321 JEGORGHZRPKVBB-ZDUSSCGKSA-N 408.464 4.422 30 40 HIEB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/N=C/c2ccc3[nH]ccc3c2)cc1 31819931 NEHYKNSDZCJVGZ-XODNFHPESA-N 414.553 4.320 30 40 HIEB Oc1c(I)cc(Br)cc1/C=N/Nc1ccccc1 59426223 LAPZUSUIPNWMTC-LZYBPNLTSA-N 417.044 4.205 30 40 HIEB O=C1[C@@H](Cc2cccc([N+](=O)[O-])c2)S/C(=N/N=C/c2ccco2)N1c1ccccc1 100524713 ZZZFFCFVIRGLEX-YGHXBTADSA-N 420.450 4.269 30 40 HIEB Brc1cc(/C=N/c2ccc(N3CCOCC3)cc2)oc1Br 408931504 MLBRLDZOUCDGAU-VCHYOVAHSA-N 414.097 4.392 30 40 HIEB CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)ccc1O 4541152 GLGAOCHWYMMJHC-OAQYLSRUSA-N 419.433 4.162 30 40 HIEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1c(C)n[nH]c1C 4713672 ZEKFZJQVDNRROP-FRKBGCJLSA-N 415.544 4.029 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 5799638 BVYPIOPCBYPIKT-HXUWFJFHSA-N 404.422 4.165 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)c1 6276519 LWSQVHSRGZHYFE-UHFFFAOYSA-N 402.401 4.063 30 40 HIEB N#Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 8133119 AMJMVCASOKHNLM-UHFFFAOYSA-N 406.463 4.003 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 8959534 JWCKNWKMAZWKGT-UHFFFAOYSA-N 414.889 4.295 30 40 HIEB COc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c1 9530899 XNXLDRGMSWVBCM-BKUYFWCQSA-N 408.431 4.079 30 40 HIEB N#Cc1cccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1 9807766 SZFCLUGOAATFFR-UHFFFAOYSA-N 423.494 4.210 30 40 HIEB Cc1cc(C)c2cc3c(nc2c1)S/C(=N/CC(C)C)N(CCN1CCOCC1)C3 13555743 JDUMWPGMGCMAPI-WCWDXBQESA-N 412.603 4.104 30 40 HIEB Cc1cc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)nc2ccc(Cl)cc12 35709617 RLDYVZIXPXDWTA-QJOMJCCJSA-N 403.866 4.329 30 40 HIEB CCCCN[C@@H](c1ccc(/C=N\C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 104076957 PSSZBBCGAQGXBY-FHLSJSRISA-N 409.785 4.040 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)cc1 110701431 MOQCCMOUFACAJG-DEDYPNTBSA-N 411.527 4.442 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 195529991 JCIGLNNBGVGJTH-SEXLIOAXSA-N 412.559 4.113 30 40 HIEB Cc1ccc(/N=C2\S/C(=C/c3cccc(OCC(=O)O)c3)C(=O)N2C(C)C)cc1 408907713 CFAUUEOHWGTXLR-FFXWWKDOSA-N 410.495 4.471 30 40 HIEB COc1cc(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1O 409169191 VJWCGQSUYLWRSI-FRKPEAEDSA-N 400.843 4.162 30 40 HIEB Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccncc3)c3nc4ccccc4nc23)cc1 2355795 ZLFQJMAGTJQOJK-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 3259288 WNMRCEACBMGXLR-UHFFFAOYSA-N 419.808 4.438 30 40 HIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCCCO4)cc2)cc1 5406293 MTQVDKSNHUOPLM-UHFFFAOYSA-N 400.434 4.404 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c1 5812715 UXVFBPQEULIQRE-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB C=CCn1c(SC[C@@H]2COc3ccccc3O2)nc2scc(C3CC3)c2c1=O 6602807 ZOLHCXQDEKGIRL-AWEZNQCLSA-N 412.536 4.454 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790786 RUCKBIJKEPQJLE-RCDICMHDSA-N 422.558 4.296 30 40 HIEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 12418244 XIHRDBZVHHLCRL-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB N#C[C@H](C1=NS(=O)(=O)c2ccccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 12558788 OCGQGKBECZHGQJ-DCJJRUGTSA-N 423.563 4.410 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19818151 CDVUGSZHAPPUFJ-JOCHJYFZSA-N 418.449 4.306 30 40 HIEB O=C1/C(=C/Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 20575606 LIEPDWPEUBLTPE-PDGQHHTCSA-N 414.483 4.373 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1OC 97105075 PHSGAVAEYCAKBB-WMZHIEFXSA-N 410.466 4.032 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102799673 QSJKYWMDOUAITG-MRJHHRETSA-N 423.509 4.061 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)o1 253570737 OAIVVSWZFHVGCB-OBCOWQKSSA-N 406.869 4.440 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 408779667 HDIUZXXILYBBDD-ODLFYWEKSA-N 405.479 4.014 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1[N+](=O)[O-] 408867805 LWLQQYOGPDSKCV-SXGWCWSVSA-N 403.847 4.457 30 40 HIEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CC 408930159 SSQJEBCLHZWYBS-HNPUNDFXSA-N 411.483 4.486 30 40 HIEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1cccc(C(=O)O)c1 408960082 JDSBAJBCHMWXDV-YDOFSLMMSA-N 407.495 4.219 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S 1316641 XCBKRDOEOKPKAJ-MHWRWJLKSA-N 402.453 4.251 30 40 HIEB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2ccc(C#N)cc2)c1 3278329 JDKZLVCZNNPNIN-UHFFFAOYSA-N 420.490 4.333 30 40 HIEB CC/C(=N\C[C@@H]1CCCO1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 15930689 ANCJRZGSDGEEPT-FNMOKXMESA-N 424.448 4.172 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1OC(F)F 57531516 IUSHUPOTZCBRBC-KRWDZBQOSA-N 406.454 4.307 30 40 HIEB CCN(CC)c1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 165026913 TVCGJTYJPOKJSP-YZSQISJMSA-N 418.541 4.097 30 40 HIEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218385837 LTEYZBROVCCMIC-LNLFQRSKSA-N 424.305 4.006 30 40 HIEB COc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)c(OC)c1 408802973 JTLAOFCXXXJVIH-PKAZHMFMSA-N 418.493 4.192 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)ccc1OCc1ccccc1F 409406608 RFKNESGBMILFSV-MFRYECHYSA-N 424.859 4.199 30 40 HIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/NC1=C(C)[C@H](C)[C@@H](c2ccccc2)C1=O 1554503339 FENKODFONSFNEI-KHNBPLFNSA-N 420.900 4.285 30 40 HIEB C=C(C)CSc1nc2ccc(I)cc2c(=O)n1CC(=C)C 2224071 ZAJSOWCWPGDLJP-UHFFFAOYSA-N 412.296 4.245 30 40 HIEB Cc1ccc(OCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 3351775 WJOMQSHAYYONJB-OAHLLOKOSA-N 412.511 4.004 30 40 HIEB COc1ccc2oc(=O)c(-c3csc(N/N=C/c4cccc(OC)c4O)n3)cc2c1 8951613 LLPVTBVGGKJZJV-LSHDLFTRSA-N 423.450 4.085 30 40 HIEB COc1ccc(CCN2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@@H]2c2ccccc2)cc1 15977981 GUDSSFQTRXCHAT-QHCPKHFHSA-N 424.504 4.068 30 40 HIEB Cn1c([C@H]2CCCN(C/C(O)=N/c3nnc(C(C)(C)C)s3)C2)nc2ccccc21 19715447 OSRSSQPEWOALJA-AWEZNQCLSA-N 412.563 4.190 30 40 HIEB CCCCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCCC2 20591058 WICZWZYMXDTTFM-UHFFFAOYSA-N 402.542 4.137 30 40 HIEB C=CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1C1CC1 25431145 RDMYIGYNOXEADH-UHFFFAOYSA-N 408.321 4.168 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3CC)C(=O)N=C2O)cc1OC 33718775 DRVYGIKHYJBKTN-LGMDPLHJSA-N 406.438 4.329 30 40 HIEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224937809 OZGYKPUVBYZRGA-UHFFFAOYSA-N 414.310 4.470 30 40 HIEB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)cc1 4944109 RMYOMFWUNSQUID-CMJOXMDJSA-N 417.509 4.251 30 40 HIEB C=CCN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 4976083 ZJOCZPJHGUEVML-UHFFFAOYSA-N 413.430 4.455 30 40 HIEB C[C@@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)NC1(C#N)CCCCC1 7106954 LXMKTMFDSPCHPF-CYBMUJFWSA-N 417.918 4.351 30 40 HIEB C=CCNC(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C 7119788 KMBFNVSWRPOAML-CQSZACIVSA-N 411.552 4.094 30 40 HIEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(C)cc3)c2c1 8023529 BRCNMBXUAAHUJH-JOCHJYFZSA-N 404.466 4.012 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4C)CC3)o2)cc1 12418573 SAUPUMGJLDRCSY-VAWYXSNFSA-N 412.493 4.296 30 40 HIEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccccc3Cl)c2c1 15920404 KXIASTKSLLFDNO-OAQYLSRUSA-N 424.884 4.357 30 40 HIEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 15938585 SDTCFQMSRICCOZ-GIJQJNRQSA-N 422.131 4.458 30 40 HIEB Oc1ccc(Br)cc1/C=N\NC(=S)Nc1cccc2cccnc12 17419820 FPWHWNMLOLWGAI-JMIUGGIZSA-N 401.289 4.023 30 40 HIEB C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CCN(Cc1ccccc1)C3 20814503 QVWOHWGCEWOTRI-UHFFFAOYSA-N 409.580 4.480 30 40 HIEB N#CCC[C@H](C#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 24989901 WKGLZZNDOILURN-CQSZACIVSA-N 407.271 4.270 30 40 HIEB O=S1(=O)CC/C(=N/Nc2nc(Cl)c(Cl)cc2Cl)c2cc(F)ccc21 33045770 SOQSSGVLRDZGKO-JAIQZWGSSA-N 408.669 4.175 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102648898 RBYWEWXYPCHRBH-JBCNATCCSA-N 402.425 4.151 30 40 HIEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 102799193 CSRLOLDGDZTGPH-JBCNATCCSA-N 409.482 4.403 30 40 HIEB C=CCOc1cc(Br)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408595887 XQNWGMSRBDJAQO-RGVLZGJSSA-N 421.247 4.481 30 40 HIEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1 408908793 DESJKARDYOKJBG-UCQKPKSFSA-N 420.425 4.067 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)S2)cc1 408966615 PNSREAFARSIJDB-CPNJWEJPSA-N 403.463 4.376 30 40 HIEB CN(C)c1ccc(CN2CCC[C@@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)cc1 585295240 RJQBSRHWPCFYKN-GOSISDBHSA-N 418.570 4.599 30 40 HIEB Cc1ccc(C)c(/N=C/c2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cnsn1 5547529 MWHLKYHICJJVNH-FTAJEYEZSA-N 414.494 4.304 30 40 HIEB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 6830989 KXYAINKSTXPFBA-CYBMUJFWSA-N 417.560 4.114 30 40 HIEB C=CCN1C(=O)N[C@@H](c2c(Cl)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354340 JKPBGMSMYXRVQR-QGZVFWFLSA-N 421.284 4.455 30 40 HIEB COc1cccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2cccc(OC)c2)c1 18193923 TWTWULGECOBPLX-HLHNIQGOSA-N 415.493 4.081 30 40 HIEB CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Br)c1O 20175520 IJTURGYXTPTOKE-GDNBJRDFSA-N 419.300 4.445 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O 21682809 HCTWJYGGZWOILI-ZDUSSCGKSA-N 417.600 4.451 30 40 HIEB CO/N=C(\C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1 31572967 ONCZDRURRATYFI-QTCHDTBASA-N 408.376 4.170 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3cccc(OC)c3)cc2-c2ccccc2S1(=O)=O 33271895 AOIMDKIKXUNINY-UHFFFAOYSA-N 420.490 4.309 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102929092 JRVIPCBISUAEOY-YDJIHCHBSA-N 400.390 4.221 30 40 HIEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(Br)cc2)cc1 224741014 UDTTYCZMEIOSFA-UHFFFAOYSA-N 408.317 4.395 30 40 HIEB CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 408763413 OBVSZEFZDFDPHW-RQZCQDPDSA-N 409.196 4.110 30 40 HIEB COc1ccc(/C=C2/S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)c(OC)c1 4199546 KEAHYBDLAHJRFU-QDFDBNCESA-N 409.511 4.421 30 40 HIEB COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3OC)c2C)cc1 4490678 NXULPLDWQNLVNW-UHFFFAOYSA-N 418.449 4.023 30 40 HIEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 4786033 GQLMZKTZITWTDI-LYJVXMSISA-N 403.485 4.425 30 40 HIEB COc1ccc(/C=N\N=C(\C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 5052551 VZSDEQMVYWGOPL-VJJPWLPUSA-N 402.450 4.419 30 40 HIEB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(C#N)c4)c(=O)c23)s1 5351963 QBKLKTKAZMBRBY-UHFFFAOYSA-N 406.492 4.005 30 40 HIEB Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1C[C@@H]1COc2ccccc2O1 6401567 WLNSCHAXEGKWKN-HXUWFJFHSA-N 402.450 4.078 30 40 HIEB COc1cccc(C(=O)Oc2ccc(/C=N/Nc3ccc(C(=O)O)cc3)cc2OC)c1 8952502 DHVQIHOMKVDYMY-ZVHZXABRSA-N 420.421 4.067 30 40 HIEB COc1ccc(-n2ccnc2S[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 11395240 ITOKENMIHBNWCW-QGZVFWFLSA-N 406.511 4.308 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1cn(Cc2ccccc2)c2ccccc12 100237562 WWRXLKKVHLBDIO-HDUWVTAYSA-N 421.500 4.077 30 40 HIEB CCOC(=O)[C@@](C)(F)OC(F)(F)[C@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F 100523281 QCMMOZMMCFWTBJ-NKWVEPMBSA-N 416.183 4.337 30 40 HIEB COc1ccccc1/N=C/c1cc(Br)c(I)o1 408949955 CRMBYPMJFBNRHC-VIZOYTHASA-N 406.017 4.406 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21 409238493 DRNHXCVNBINRIT-CPNJWEJPSA-N 415.518 4.275 30 40 HIEB C#CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NC1CCCC1)c1ccco1 1376626 RWXNXYPNXVENNY-LJQANCHMSA-N 405.281 4.353 30 40 HIEB CCCCOc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 2277535 XVXOVPHMMXPOPR-LPYMAVHISA-N 420.922 4.425 30 40 HIEB C=CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F 5224718 MNWMEIFJSLIDLB-UHFFFAOYSA-N 401.463 4.377 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 6691045 IMORDLUXULSIAZ-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCC1(C2)OCCO1 16385115 WLBYRQZOFCZEOC-UHFFFAOYSA-N 400.265 4.218 30 40 HIEB CCOC(=O)C/C(=N/Nc1cc(Br)ccc1[N+](=O)[O-])c1ccccc1 16682226 ALYIWSUYCPJRAI-RGEXLXHISA-N 406.236 4.127 30 40 HIEB N#Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)cc1 71328177 MHJRJWZIRVFEKX-UHFFFAOYSA-N 403.442 4.366 30 40 HIEB Cc1ccccc1Cn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 409223062 GDJHBUUFDIBSLD-QJGWMFHTSA-N 409.489 4.139 30 40 HIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1O 1424907 KXRJIITXKQQQEF-FYJGNVAPSA-N 405.292 4.141 30 40 HIEB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1 4301933 NBQOXOPOPUCNGO-AFUMVMLFSA-N 414.469 4.350 30 40 HIEB CCOc1cccc(/C=N/c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1O 4964317 RFSRYKRJPFTIDV-PXLXIMEGSA-N 402.516 4.025 30 40 HIEB COc1ccccc1N(CCC#N)C(=O)CSc1ncnc2sc(C)c(C)c12 6113133 PVOWUKAIVWFHQY-UHFFFAOYSA-N 412.540 4.356 30 40 HIEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc2c(cc1Br)OCO2 6473675 SZLPDRQFVFOBJX-CHHVJCJISA-N 403.257 4.069 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 6576957 HQVCKHDUVHSNFC-SESVDKBCSA-N 423.611 4.320 30 40 HIEB aggregator CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129875 OAXWGDNYDNGVFC-BLVKFPJESA-N 404.561 4.069 30 40 HIEB CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 7781176 IDJOPHJFOAAFGP-HQTCEHPBSA-N 411.527 4.454 30 40 HIEB CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)OC)cc2)N(CC)C1=O 8363715 QWZLTQXMXPFKQA-XGHAMVSDSA-N 410.495 4.496 30 40 HIEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 8871182 OOCHJKWJVXEILK-MZJWZYIUSA-N 424.439 4.440 30 40 HIEB C=CCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCc2ccc(F)cc2)c1 9578515 ZDJJROPZRFQORF-UHFFFAOYSA-N 419.452 4.317 30 40 HIEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 12418804 ZWKUAUBQMPKWQY-VOTSOKGWSA-N 424.913 4.394 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NCCc1ccccc1 13759208 TWOQEVHPMBXJPI-UHFFFAOYSA-O 415.344 4.055 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F 20131579 QSYNOSDIYRWIGQ-OAQYLSRUSA-N 422.456 4.102 30 40 HIEB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)C 20568845 LRVZFGFURDUUSP-QFIPXVFZSA-N 413.514 4.402 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cc(OC)ccc3OC)nc2c1 35315984 HRILZILBZWZSIO-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OCC)c1OC 59135602 QVOGTTSGHSKTIH-LDADJPATSA-N 424.428 4.468 30 40 HIEB C=CCOC(=O)c1ccc2oc(-c3cccc(I)c3)nc2c1 73634074 DNTPSPAQWIBULU-UHFFFAOYSA-N 405.191 4.442 30 40 HIEB O=CN(/C=C1\Sc2ccccc2C1=O)c1ccc(I)cc1 101520699 SNHGBYDVLGWBTD-DHDCSXOGSA-N 407.232 4.084 30 40 HIEB Cc1cc(/C=N/Nc2nc3ccccc3n2C)c(C)n1-c1ccc(CC(=O)O)cc1 408645622 AEOMPZHVDZCHGP-ZVHZXABRSA-N 401.470 4.054 30 40 HIEB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c(/C(O)=N/Cc2cccs2)c1 4262925 OFGCBYALIPULIU-FRVJLOGJSA-N 414.914 4.442 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 4328531 HQVCKHDUVHSNFC-NRSPTQNISA-N 423.611 4.320 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 5526661 RNAAUQBRLNBYRQ-QGOAFFKASA-N 411.504 4.302 30 40 HIEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc23)cc1OC 13597588 ZQIIUFRBTFWZAF-NFRIGNNNSA-N 419.506 4.323 30 40 HIEB CC(=O)Oc1ccc([C@H]2Nc3c(c(C)nn3C(C)=O)C3=C2C(=O)CC(C)(C)C3)cc1 16266219 LEBWHEZFBRMFPG-OAQYLSRUSA-N 407.470 4.086 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3ccc(Cl)cc3)c(C#N)cc2c1 35312345 BHIPCUTYNXENLL-UHFFFAOYSA-N 411.918 4.167 30 40 HIEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccc(-c2ccccc2)cc1 58377690 CZMSLPJTLKQZCM-UHFFFAOYSA-N 419.506 4.077 30 40 HIEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(F)cc1 102977010 KGLKWDLYCKBPAC-LYBHJNIJSA-N 410.246 4.433 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 224371852 RHAMUTUVGGKUKH-UHFFFAOYSA-N 410.470 4.459 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)SC1=S 408814118 QEISFINEIQWECK-WQRHYEAKSA-N 412.536 4.488 30 40 HIEB N#Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 408918584 MEMCZHOLCUXRLQ-LQDNNDEMSA-N 410.860 4.305 30 40 HIEB C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)NC1CCCC1 409358396 FVJHFPMLHKTYDA-UHFFFAOYSA-N 416.616 4.357 30 40 HIEB N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cn2)cn1 585292826 AWFIVJJHWJCIAM-HSZRJFAPSA-N 409.497 4.695 30 40 HIEB CCOc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384954 PISHOKCWINAZNY-BUVRLJJBSA-N 414.421 4.253 30 40 HIEB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C#N 1017063 DTRCJMKHZKQJBD-SNVBAGLBSA-N 424.092 4.489 30 40 HIEB C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1cnccn1 3355718 QRVCIGMBOMBAKG-UHFFFAOYSA-N 406.284 4.115 30 40 HIEB C=CCc1ccc(OC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)c(OC)c1 4028136 CFRODJHXEPRBME-UHFFFAOYSA-N 414.413 4.124 30 40 HIEB biogenic C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O 5373771 HWDFSUDIWZEONP-YVLHZVERSA-N 413.476 4.061 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 6780857 QTTDZEYRRLKHLY-QFIPXVFZSA-N 412.445 4.429 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1 8867777 BECUHDHSFISUPR-JOCHJYFZSA-N 419.477 4.330 30 40 HIEB O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cc(Cl)cc(Cl)c1 21133103 ZEWZQQZNASHAFD-CQSZACIVSA-N 400.331 4.242 30 40 HIEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(Cl)cc1Cl)=C2 40310243 NSYXKYNYGSRKRO-UHFFFAOYSA-N 406.265 4.442 30 40 HIEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 102804119 JZOYRGCRCGTOCX-LFVOPCPISA-N 406.438 4.500 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC(=O)O 408905207 VEUALRABNVTIMO-DEDYPNTBSA-N 420.465 4.083 30 40 HIEB CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)C=C[C@]4(C)C3=CC[C@]12C 605693481 GFEOISHGGMIFER-WNLYKICVSA-N 408.494 4.371 30 40 HIEB in-vitro CCc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(SC)n2)c(N)c1C#N 632475 SCUPZKFBHNBWQC-UHFFFAOYSA-N 414.922 4.463 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 4736322 MYUZDDZQAKPNIE-GFCCVEGCSA-N 403.508 4.154 30 40 HIEB Nc1nc(N)c2c(n1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1ccc(Cl)cc1 10339114 FOUVAKUOBZAETE-KDOFPFPSSA-N 417.900 4.253 30 40 HIEB CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402666 NZBDHGYNAKFCTB-FQEVSTJZSA-N 414.468 4.022 30 40 HIEB O=S(=O)(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 12617119 XFGUZIGHAICTGM-KGENOOAVSA-N 415.312 4.429 30 40 HIEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635468 GWFYIKQVVPSRJA-LJQANCHMSA-N 403.530 4.176 30 40 HIEB N#Cc1cccc(OCCN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)c1 71889701 JCLWJSLURRDNOV-NRFANRHFSA-N 400.482 4.257 30 40 HIEB CCOCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 101695107 KFCBDPLKEBAHOW-PKEPYMRNSA-N 412.511 4.344 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 102539864 SSAQPQIWTNVZDH-MOBKVPTQSA-N 415.445 4.330 30 40 HIEB CC/N=C1/S/C(=C/c2cc(Br)c(OCC)c(OC)c2)C(=O)N1CC 408929914 POUFZBAYJKBTOO-KOJZBUGZSA-N 413.337 4.169 30 40 HIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1OCC#N 409285824 OQGYXGSAPMIGIP-UHFFFAOYSA-N 416.481 4.237 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)ccc1OCc1ccccc1 409407176 SNZHUJBLRLFMMY-SNHGZMDHSA-N 406.869 4.060 30 40 HIEB CCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CC1 6400193 MRIHKJFKUYBNAT-UHFFFAOYSA-N 401.561 4.108 30 40 HIEB Cc1ccc2[nH]c3c(=O)n(/N=C/[C@H](C)Cc4ccc(C(C)(C)C)cc4)c(=O)[nH]c3c2c1 9320132 FMGIUPWCRCVTIE-JOBSNELWSA-N 416.525 4.490 30 40 HIEB COc1ccc(Cn2c(SCC#N)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 16841855 XMMYHHRUEGSMGC-UHFFFAOYSA-N 402.479 4.064 30 40 HIEB CC1(C)CCC[C@](C)(C#CCN2CCN(CC#C[C@@]3(C)CCCC(C)(C)O3)CC2)O1 19934001 JMHBJXANORTDCX-CLJLJLNGSA-N 414.634 4.086 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@@H]12 59408467 QFCBTOZSDBUXDI-IUSCBXDMSA-N 424.585 4.131 30 40 HIEB biogenic CN(CC(=O)N(C)C1(C#N)CCCCC1)C/C(O)=N/c1ccc(Cl)c(Cl)c1 82107518 WUNPTFHCIPDKFI-UHFFFAOYSA-N 411.333 4.198 30 40 HIEB CCCOc1cccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)c1 102648878 MKVUPVUNAWDYCP-MRJHHRETSA-N 418.449 4.085 30 40 HIEB C=CCN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 224376464 XMYUSUWUYCSDQQ-UHFFFAOYSA-N 424.497 4.137 30 40 HIEB C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC 409234530 NMUPBOCDTDPSKL-RVDMUPIBSA-N 424.316 4.306 30 40 HIEB CNC(=O)COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 609187324 QPFQWKMJOFLBGT-UHFFFAOYSA-N 417.490 4.087 30 40 HIEB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1c(C#N)oc2ccccc12 7778222 YBOHTQYZNTUTPH-UHFFFAOYSA-N 403.467 4.233 30 40 HIEB COc1cc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc(OC)c1OC 8469924 ZLVWRWUOGDJADG-CMDGGOBGSA-N 417.465 4.305 30 40 HIEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OC(=O)N3CCOCC3)ccc21 9192007 WIKZRYXYPNDXHX-NVMNQCDNSA-N 420.248 4.441 30 40 HIEB N#Cc1c(N2CCN(C(=O)c3ccccc3)CC2)nc(-c2ccccc2)c2c1CCCC2 20827475 VKFKKVREXJDUAG-UHFFFAOYSA-N 422.532 4.461 30 40 HIEB C=CCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1 30553459 IUCRKPLOJINBPR-UHFFFAOYSA-N 406.404 4.371 30 40 HIEB Cc1cc(C)c2nc(NCCCNC(=S)NCc3ccccc3)c(C#N)cc2c1 35312809 AFMSHUJJAQFDJL-UHFFFAOYSA-N 403.555 4.190 30 40 HIEB CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@H]3CC[C@H]2N3C)cc1 103658315 MYNBPVFKCVOBPM-KLLLOMBRSA-N 401.554 4.331 30 40 HIEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cc(OC)c(OC)cc3Cl)C2=O)s1 137565028 KMLBMEDTHOKBTI-HQKXLMHDSA-N 409.920 4.189 30 40 HIEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224992189 JNTSQWGMAYUEIT-UHFFFAOYSA-N 411.932 4.230 30 40 HIEB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC#N 408812586 NEIYFPGZXWAOAL-UHFFFAOYSA-N 414.894 4.322 30 40 HIEB CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)ccc1OC 409057921 LWXBNWMXELMFBN-ZIKOHYJISA-N 412.467 4.026 30 40 HIEB CN(C)c1ccc(CN2CCC(c3csc(Nc4ccc(C#N)nc4)n3)CC2)cc1 585294870 KXDCJGSXDFCPDE-UHFFFAOYSA-N 418.570 4.599 30 40 HIEB N#Cc1cccc(Oc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)c1C#N 992846 PACQZQUBMJVSPS-UHFFFAOYSA-N 400.365 4.401 30 40 HIEB COc1cc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc(OC)c1OC 4944886 ZEWPLKQUSSIVMM-KRWDZBQOSA-N 407.466 4.240 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(OC)c1 6005317 JZWNWHVZDIOGEO-SJCJKPOMSA-N 411.527 4.234 30 40 HIEB CN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccc(N2CCOCC2)cc1 6319964 DACZKJYEFVVKQZ-LISDSOCTSA-N 418.522 4.238 30 40 HIEB CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=S)NC(=O)CC)cc2)c1O 9553655 MBHSVDLPIKWATR-SRZZPIQSSA-N 405.907 4.418 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2OC)cc1 12407968 KUIQYYNVZGPOTD-LHSJRXKWSA-N 418.453 4.066 30 40 HIEB COc1ccc(NC(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 20151180 YKQWEBMSPRYTPO-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB N#CCc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 38849870 UAMIONGAOUKFIR-UHFFFAOYSA-N 412.331 4.366 30 40 HIEB COc1ccc(OCc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)cc1 223694901 KBZOWOBZIVALDN-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1O 408600466 ZEWYWBMXFLIHPP-UHFFFAOYSA-N 400.891 4.221 30 40 HIEB C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)N1C 408929144 HOPDKYMKXWYNBY-SYFXMVHNSA-N 402.903 4.460 30 40 HIEB CCC(=O)C1=C(c2ccccc2)N(C(=O)CC)n2c(nnc2-c2ccccc2)S1 4518280 SIXGLBCJRBYYIS-UHFFFAOYSA-N 404.495 4.273 30 40 HIEB Cc1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C#N)c1C 5184668 DTSLMNYJMSKCAY-UHFFFAOYSA-N 411.508 4.290 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 8738595 ZZCRSWXTUFEWER-INIZCTEOSA-N 400.843 4.481 30 40 HIEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1Br 8919399 DOJPJJPTIXZAHL-UHFFFAOYSA-N 424.345 4.135 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)o3)ccc21 8958768 FHLNSSDJHPPUNX-UHFFFAOYSA-N 419.275 4.232 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 9582893 SWFMVUBODHWJPI-UHFFFAOYSA-N 411.796 4.004 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c1 13653805 MOACJKZREYOZJW-PXNCGERRSA-N 409.482 4.400 30 40 HIEB biogenic C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CC2)C1 19235447 QLCVTPWBEOLJOT-SANMLTNESA-N 402.538 4.135 30 40 HIEB N#Cc1ccc(COCC2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 77191690 USAIDERJKMVYRO-UHFFFAOYSA-N 415.896 4.218 30 40 HIEB C#CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(Br)ccc21 100875327 FNQPTXBEBYNDAL-FXBPSFAMSA-N 407.239 4.118 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 103945004 NBZXMBPRBWXSSQ-IPNJPTAWSA-N 401.591 4.414 30 40 HIEB biogenic COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC#N 106684684 WBLKWFJAYXHHBF-WQRHYEAKSA-N 414.870 4.487 30 40 HIEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224813378 XMWVCTREJMFYGI-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(C)c2ccccc12 409297795 XOGMGOASQWUMJH-UHFFFAOYSA-N 409.287 4.150 30 40 HIEB N#Cc1ccc(S(=O)(=O)NCCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 604019132 FWIRZEXYUNAHCH-UHFFFAOYSA-N 422.350 4.117 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 837277 XREZHCRBWZQGBU-RBUKOAKNSA-N 407.271 4.235 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc4ccccc4n3)c2C#N)C1 3258610 AOOWMRMPPUJQOA-CYBMUJFWSA-N 405.479 4.088 30 40 HIEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nc2scc(C3CC3)c2c1=O 3447227 HNKSGYDAMQPOOR-UHFFFAOYSA-N 423.563 4.203 30 40 HIEB C=CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 3484186 SDLHXAFGOYQLIC-UHFFFAOYSA-N 422.554 4.461 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 4182745 RKXPVICVAJINNA-GVAUOCQISA-N 407.510 4.402 30 40 HIEB CCCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2cc(Br)ccc21 4554720 INLUOOMXUZXHDE-FLJMFPIGSA-N 414.299 4.066 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(F)c1 4736329 FERAMSUGGCWFKZ-UHFFFAOYSA-N 404.417 4.279 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)cc1C 5546971 QUZVKUWESFWAQD-ZCOIRKDISA-N 407.469 4.053 30 40 HIEB C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OC)c1O 8400608 NHROIDQBWYZFLQ-MONBMGCGSA-N 424.522 4.380 30 40 HIEB CCOc1nc2c(c(-c3ccccc3)c1C#N)c1ncnc(SCC(C)=O)c1n2C 8705180 NYFDWSUAFOMQMH-UHFFFAOYSA-N 417.494 4.135 30 40 HIEB O=C1C(Cl)=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C1Cl 12561061 NSDJMXAUHUTUIA-FCDQGJHFSA-N 419.289 4.091 30 40 HIEB O=C(C[C@H]1S/C(=N/Cc2ccc(F)cc2)NC1=O)Nc1ccc2ccccc2c1 12995520 WBBMFLWBLGFYKA-LJQANCHMSA-N 407.470 4.095 30 40 HIEB COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc(OC)c1OC 15011780 ANHMQWGEAPZUHJ-MHWRWJLKSA-N 404.875 4.257 30 40 HIEB COc1ccc(CN/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1OC 20196121 VXNQINIGJANIKD-LGJNPRDNSA-N 406.486 4.317 30 40 HIEB N#Cc1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn2ccccc12 32871589 CQSJUBJOGNLZOU-UHFFFAOYSA-N 419.838 4.200 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 224371925 FUSKFVXOFKEVNQ-UHFFFAOYSA-N 410.470 4.459 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 408531114 MBTYMRJNLFNERJ-ZHZULCJRSA-N 422.506 4.489 30 40 HIEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408593098 PAUFAPQFRYOGJZ-ZMOGYAJESA-N 404.426 4.433 30 40 HIEB CN(c1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1)C1CCCCC1 2307356 MWZRYWKGWSTYFP-IBGZPJMESA-N 405.546 4.455 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccc1OC 2453938 FEMUPFLVGFHBDS-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB C/C(=N\Nc1nnc2c(n1)[nH]c1ccc(C)cc12)c1ccc(Br)s1 4596704 QRWAZNMEERZBFE-AWQFTUOYSA-N 401.293 4.475 30 40 HIEB CCOc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc(Br)c1O 4690368 CSUPLSJRVOZMDP-UFWORHAWSA-N 413.655 4.351 30 40 HIEB O=S(=O)(/N=C(\Nc1ccc(Br)cc1)C(F)(F)F)c1ccccc1 4884942 IKSSWQBDWYBMTB-UHFFFAOYSA-N 407.211 4.211 30 40 HIEB C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12259798 HMLAWNFGGBKOIK-LLVKDONJSA-N 403.577 4.424 30 40 HIEB COc1ccc(CN/N=C/c2cccc(OCc3ccccc3C#N)c2)cc1OC 20196392 XIMYVMWZTJVWTA-CVKSISIWSA-N 401.466 4.278 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 100974541 XYKJIRMGKMLYPB-XJQVUQAESA-N 424.956 4.249 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804926 LNZSTZFHEXYMOV-NHFXJNLRSA-N 422.412 4.147 30 40 HIEB C=CCc1cc(/C=N/N2C(=O)CSC2=S)cc(OC)c1OCc1ccccc1 409350516 RRIVLFNHQFLKGB-WSDLNYQXSA-N 412.536 4.197 30 40 HIEB CCCCN[C@@H](c1ccc(/C=N/C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 1667982 PSSZBBCGAQGXBY-IMQYADFFSA-N 409.785 4.040 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(F)cc1 2365085 VDQIVHMSZSUGRB-UHFFFAOYSA-N 404.417 4.279 30 40 HIEB Cc1nc(SCc2nc3ccccc3c(=O)n2CC#N)c2c(C)c(C)sc2n1 5429087 XQLGPXGFNDCLAV-UHFFFAOYSA-N 407.524 4.142 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 6813375 HWDCQKFSYORCGX-LJQANCHMSA-N 406.463 4.243 30 40 HIEB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 12070146 OYAXEXXKUSRBBV-AWEZNQCLSA-N 416.568 4.108 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 14091826 ZMVXKHVYMJISPH-UHFFFAOYSA-N 408.527 4.103 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 24177306 CXNUFQCVSIJCAF-FMIVXFBMSA-N 419.550 4.219 30 40 HIEB COc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)c(OC)c1OC 96973228 HPRVUMDSOAVOHC-WQLSENKSSA-N 405.244 4.134 30 40 HIEB O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439730 MEVCANHLQJVZSI-YDJIHCHBSA-N 400.390 4.221 30 40 HIEB C[C@@H](NC(=O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 100556836 NZDSYEQKTLSCHK-XCBNKYQSSA-N 400.216 4.434 30 40 HIEB C=CCOc1cccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1 101313238 BKGUJBIFINDCND-UHFFFAOYSA-N 424.537 4.484 30 40 HIEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 102369194 GKFATLNNKCFTPW-JBCNATCCSA-N 418.449 4.084 30 40 HIEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408593107 PDDYSCPQTOWQAP-WSDLNYQXSA-N 424.413 4.470 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 104692782 GMMDJLBPIXQZJQ-NMAJKEABSA-N 406.869 4.060 30 40 HIEB CCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 100924262 XCJGHFFHUXBZBJ-QGZVFWFLSA-N 408.495 4.333 30 40 HIEB C=CCn1c(SCC(=O)NCC2CCCCC2)nc2ccc(Cl)cc2c1=O 3446463 CCLUGMPKKGIRFW-UHFFFAOYSA-N 405.951 4.025 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1)c1ccccc1 6445949 CHTPQLQHJNWQJS-HSZRJFAPSA-N 423.472 4.384 30 40 HIEB CCc1cccc(CC)c1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 5863884 BEALPOMCGWFHTR-UHFFFAOYSA-N 406.869 4.424 30 40 HIEB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 9477407 GMTQPRDXKVTATL-NRFANRHFSA-N 418.522 4.004 30 40 HIEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 9846339 KXEFEMMWMJDIHH-BAOKRACBSA-N 418.316 4.039 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1 409354001 WGQXLXKKGSWPHT-UHFFFAOYSA-N 415.327 4.143 30 40 HIEB C=CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)c1 408891718 BYVNPKGRIZBQSC-JCMHNJIXSA-N 419.477 4.133 30 40 HIEB N#CC1(C#N)[C@H](c2cccnc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 13590287 FWYZPEJXKRUYAS-RBZQAINGSA-N 402.457 4.366 30 40 HIEB COc1ccc(/C=N/N=C(\C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16954706 VZSDEQMVYWGOPL-IYLGLBRYSA-N 402.450 4.419 30 40 HIEB O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)O1 524729889 NFEJAYXVQDEZMF-NGMPYOPUSA-N 402.358 4.066 30 40 HIEB biogenic C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2ccncc2)c(OC)c1 28922924 SFHHFTRQZZWWPW-QHCPKHFHSA-N 401.466 4.422 30 40 HIEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCc1c[nH]c2ccccc12 100163162 WUXSCGNNJHZPRC-BUVRLJJBSA-N 417.469 4.169 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(O)cc2)cc1 104084271 ZSMWGFYZBVDXDU-JBCNATCCSA-N 401.418 4.027 30 40 HIEB CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 32254272 PLVSPWVHLBFPNO-IBGZPJMESA-N 421.566 4.334 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccccc1C 2351451 NKOGLLWQIHBOMP-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc(C)c(C)c2c1=O 2371492 KJPIATYJOSPBME-UHFFFAOYSA-N 400.525 4.244 30 40 HIEB C=CCOc1ccccc1CN(C(=O)c1c(C)noc1C)c1ccc2c(c1)OCCO2 8073081 QZFUDSMIHQNVEV-UHFFFAOYSA-N 420.465 4.474 30 40 HIEB COc1ccc(O)c(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1 11565678 MCKBKRJEIMFOSH-LSHDLFTRSA-N 423.450 4.085 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CCCC 12409525 GRYUUIXBRUIDBA-UHFFFAOYSA-N 404.532 4.261 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 13042437 OBNMNHYVCZFOEN-HNNXBMFYSA-N 407.417 4.262 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c1 13653807 MOACJKZREYOZJW-VUZLNAKASA-N 409.482 4.400 30 40 HIEB biogenic Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 32865352 XGTAFTGAWYKTRL-CQSZACIVSA-N 421.507 4.167 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 35289641 VENLCRUYUDJSMA-UHFFFAOYSA-N 405.479 4.241 30 40 HIEB N#Cc1cccc(Cc2cnc(NC(=O)c3cccnc3N3CCCCC3)s2)c1 58196516 UGULFOPOMRNRQV-UHFFFAOYSA-N 403.511 4.243 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 102895536 GFGUYFJNQANISH-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB CC1CCN(C(=O)Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)CC1 409127824 QMWWKOFBYIFRHV-UHFFFAOYSA-N 412.489 4.362 30 40 HIEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 409379700 YMCCVWWAOOLCMF-OYKKKHCWSA-N 419.437 4.471 30 40 HIEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1c[nH]c4ccccc14)[N+](C)(C)CC3)OCO2 1280263 HZBPGVLYWBSVJI-NRFANRHFSA-O 419.501 4.251 30 40 HIEB biogenic C=CCNC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 4071351 WBAJSQDWNMTCQD-MDZDMXLPSA-N 402.288 4.352 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1ccc(OC)cc1 5869336 UWCSFXWLKVPFGR-UHFFFAOYSA-N 409.511 4.335 30 40 HIEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nnc3-c2ccccc2[N+](=O)[O-])c(C)c1 16678399 MALXRPUZNAXJCD-ATJXCDBQSA-N 417.473 4.366 30 40 HIEB C=CCOC(=O)c1ccc2[nH]c(-c3cccc(I)c3)nc2c1 226235699 PKNYEBLWXFLOCQ-UHFFFAOYSA-N 404.207 4.177 30 40 HIEB CCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)S/C1=N/c1ccc(F)cc1 409223852 GAPLJTSLIGCJGK-OKJGYWFCSA-N 423.469 4.489 30 40 HIEB CCCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CCC)n2c(C)nnc2S1 4518268 TYGIIYOQVYRHNA-UHFFFAOYSA-N 404.923 4.348 30 40 HIEB C=CCN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354343 QBGPPUGRACVTSF-QGZVFWFLSA-N 421.284 4.455 30 40 HIEB C=CCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CC=C)c1 12063462 QQJODHMLMYDHSR-QHCPKHFHSA-N 401.466 4.387 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1ccccc1 19787899 BSJLNPXOISADCK-OECAKDGASA-N 404.510 4.006 30 40 HIEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 20973805 PWBUNDWRRIFMQK-CYBMUJFWSA-N 410.465 4.446 30 40 HIEB CCN(C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccccc1C 41809282 NDRKQUKMABGNGB-UHFFFAOYSA-N 404.470 4.384 30 40 HIEB C=CCN(Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 224471036 IXIXWZOPAWNNTL-UHFFFAOYSA-N 424.497 4.455 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1 409181576 CWBTYJXZYWDHGT-XSFVSMFZSA-N 422.506 4.489 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1C 2341174 JQDRTNRNBVVXBE-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCC(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 4084968 FQUGTMQIPAOEGK-XXCXBFEJSA-N 423.597 4.468 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)cc1 5100279 METFVEQLPDBOOE-LAUBAEHRSA-N 420.538 4.213 30 40 HIEB CSc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205654 KLJUEGBQOJNGPH-SPLOXXLWSA-N 404.495 4.121 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)sc2c1CCC2 8310441 ZFJHOOGFRYIFOV-GOSISDBHSA-N 423.538 4.045 30 40 HIEB COc1cccc(C(=O)OCCNc2nc(SC)nc(-c3ccccc3)c2C#N)c1 8844205 XQFRGYRSTPASQL-UHFFFAOYSA-N 420.494 4.015 30 40 HIEB Cc1nn(-c2ccccc2)c2c1NC(=O)/C(=C\C(=O)c1ccc(Br)cc1)N2 16266239 IHNIIHGUOSFRDD-LFIBNONCSA-N 423.270 4.074 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 20130038 FEBAMHYCYQYWMD-JOCHJYFZSA-N 406.526 4.224 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@@H]12 61997012 FZFNSVTYWBAPRB-CVLVFTNCSA-N 412.549 4.262 30 40 HIEB biogenic C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@]13CCCC[C@H]23 100749530 HCKWLIFVKPDIEV-AXJZPPOTSA-N 402.494 4.332 30 40 HIEB biogenic N#Cc1c(NC2CC2)sc(C(=O)Nc2c(F)cc(F)cc2Br)c1N 215709794 FHDSDMLMEDAYNS-UHFFFAOYSA-N 413.247 4.069 30 40 HIEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408816396 JOQQMQXLQSSTAS-JJFYIABZSA-N 407.382 4.149 30 40 HIEB N#Cc1cccc(OC2CCN(C(=O)c3csc(Cc4ccc(F)cc4)n3)CC2)c1 521515211 XWQQWTBDLNRUBC-UHFFFAOYSA-N 421.497 4.428 30 40 HIEB C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(F)c(F)c1 2620034 SDQCHVPLIHEHFW-UHFFFAOYSA-N 419.428 4.435 30 40 HIEB C#CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC 4944157 LLBBOFLAFLWYFL-MRXNPFEDSA-N 407.857 4.225 30 40 HIEB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 84409150 TVVYYRLFUXNETF-IBGZPJMESA-N 417.431 4.019 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 245238493 RKXPVICVAJINNA-ISJGIBHGSA-N 407.510 4.402 30 40 HIEB CCN/C(=N/c1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 5715732 ZSNILNJTTWVDJE-INIZCTEOSA-N 405.882 4.141 30 40 HIEB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc(C#N)cc2)o1 19929299 WXSAFDBJRYMEAL-UHFFFAOYSA-N 414.874 4.213 30 40 HIEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C#N)c1C 4570293 DIFOXHADXTWBKB-UHFFFAOYSA-N 417.556 4.054 30 40 HIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 20647127 QQVUQYJDNJZNEV-SSDVNMTOSA-N 406.482 4.351 30 40 HIEB CCOc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 888112 DSAPWCPUEHBJJY-FYJGNVAPSA-N 405.292 4.141 30 40 HIEB CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc12 2254300 PAEYRRRGOMWBOR-RPPGKUMJSA-N 420.904 4.088 30 40 HIEB C=CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CCCC3=O)s1 2493527 XJRGJEYFYMSDAI-LLVKDONJSA-N 403.554 4.405 30 40 HIEB CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 2625880 AAIUQESXWKATJW-UHFFFAOYSA-N 405.527 4.312 30 40 HIEB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1C#N 3223243 GHAGTYITWKAOLQ-UHFFFAOYSA-N 410.426 4.230 30 40 HIEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 13845558 QMNQBCHAKDZSIQ-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c(OC)c1 31537599 UVONSPLEABBZAL-UHFFFAOYSA-N 423.494 4.150 30 40 HIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2c1 35315392 OQJUWFNJLKIMJN-UHFFFAOYSA-N 406.436 4.046 30 40 HIEB Cn1c([C@@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 40089611 ISZDQCXYHIKIJT-UNMCSNQZSA-N 422.488 4.311 30 40 HIEB C=CCOc1ccccc1[C@H]1C(C(=O)OC)=C(c2ccc(Cl)cc2)Nc2ncnn21 59227920 AFPOAPZHQBPNTN-FQEVSTJZSA-N 422.872 4.096 30 40 HIEB C=CCOc1c(Cl)cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 100324883 PNMVTLXULITIST-OYKKKHCWSA-N 411.889 4.462 30 40 HIEB C=CCOc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222534094 SWLLUZUYELFMNQ-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224874894 HCGLILGTPOBZMG-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)cc1 408968466 ZBOXHHCBHAMJKQ-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB C#CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409042479 XOANDVPIPXHSOU-UKTHLTGXSA-N 406.310 4.200 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409236337 FAISYLSKRCHUQM-GZTJUZNOSA-N 401.249 4.098 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc(C)c(C)c2c1=O 784821 YUBNCYQVAVTWCQ-UHFFFAOYSA-N 403.504 4.131 30 40 HIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3257495 COOBROPSWFWZKI-UHFFFAOYSA-N 419.808 4.438 30 40 HIEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCC(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 4084972 FQUGTMQIPAOEGK-KUGSLXLQSA-N 423.597 4.468 30 40 HIEB biogenic C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3cccnc3)c(=O)oc2c1C 12296453 RPLCFSLENDVWOZ-UHFFFAOYSA-N 406.482 4.009 30 40 HIEB biogenic Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 12418793 BXBDLCFUHXTDJG-CMDGGOBGSA-N 404.495 4.049 30 40 HIEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(C)c2C)NCc2cccnc2)n1 14157702 ZRPULGMCHPTCND-UHFFFAOYSA-N 419.558 4.060 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)cc1 19138227 KXWGLRUVDJSVOI-OAQYLSRUSA-N 400.434 4.182 30 40 HIEB COc1ccc2c(c1)CCCN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 22015322 QGFIWYYDDBMKTM-UHFFFAOYSA-N 418.497 4.018 30 40 HIEB CCCOc1c(Br)cc(/C=N\OCC(=O)Nc2ccccc2)cc1OC 33453627 LDZTYZHSXPRGKV-MTJSOVHGSA-N 421.291 4.236 30 40 HIEB COc1ccc(/C=C2/N=C(SCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 34689715 KQAYBIVJHSRIEY-SFQUDFHCSA-N 415.421 4.297 30 40 HIEB C=C(C)COc1cccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c1 89914059 DFTMZXPDFNNJGN-HXUWFJFHSA-N 415.559 4.240 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628282 KYBBPQWHFATUKH-NPNYCVGBSA-N 422.535 4.443 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C)cc2)cc1 102798399 YTDIRSGMZJSZAA-LFVOPCPISA-N 420.490 4.477 30 40 HIEB O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102881357 XSXUBWFVAGHDNT-MRJHHRETSA-N 414.417 4.217 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220545333 PCPNGBPWMGITHO-HXUWFJFHSA-N 416.543 4.052 30 40 HIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225821301 BFMMVKFGMWBLLY-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 408591467 UDWIBTVBBQYOEG-DVERMLRFSA-N 419.912 4.135 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3OCC)OCO4)S2)cc1 408951044 HNQBGYWPFPIVSZ-VXLYETTFSA-N 412.467 4.104 30 40 HIEB Cc1oc2cc(OCC(=O)NC3(C#N)CCCC3)ccc2c(=O)c1Oc1ccccc1 7245234 IWHODKFUXWQQSK-UHFFFAOYSA-N 418.449 4.225 30 40 HIEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 12418801 ZYMRJYOYTITFSY-BQYQJAHWSA-N 424.913 4.394 30 40 HIEB C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(NC(=O)CCC(=O)O)cc1 12564033 PVCWXPUUSDFVKP-GYHWCHFESA-N 407.495 4.438 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 17058549 VRUXOWSFAQWOLL-HXUWFJFHSA-N 404.422 4.165 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 20135270 IYKJEXGLVDUFEC-HXUWFJFHSA-N 424.884 4.226 30 40 HIEB C=CCc1cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc(OC)c1OCC(=O)O 59679187 ZIUIXYBYYQYTEJ-FOKLQQMPSA-N 417.845 4.078 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102514955 DAGRGPBEWAERFV-ILCKISKLSA-N 403.887 4.002 30 40 HIEB CCOc1ccc(/C=N/c2ccc(NC(C)=O)cc2)cc1I 197822104 YXJQKZYFUFORQD-YBFXNURJSA-N 408.239 4.399 30 40 HIEB Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)cc2)cc1 251451389 CXJSORNMRRPLDY-DKVGFFGZSA-N 400.478 4.105 30 40 HIEB Cc1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 409077643 GFIQQYFKCWCPQE-VXLYETTFSA-N 411.330 4.426 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 409144366 JOYNJTXHOBUJAS-KEWMMQSOSA-N 406.869 4.060 30 40 HIEB COCc1ccc(CN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1 585294021 MVBCEXMULKKKHP-JOCHJYFZSA-N 418.501 4.262 30 40 HIEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 3385574 CBSXDCRABBIPKY-UHFFFAOYSA-N 405.527 4.138 30 40 HIEB Cc1nn(CCC#N)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 6329065 YFQCUFQYHFSWSG-OAQYLSRUSA-N 403.530 4.372 30 40 HIEB C[C@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccccc1C#N 6346461 CVCDKPTXDRANSA-KRWDZBQOSA-N 400.434 4.321 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1 19235451 YZYRSTLMOYIHQZ-PPNCUWOSSA-N 416.565 4.381 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 19314701 AUSYSTQKLQJNMU-QHCPKHFHSA-N 403.478 4.407 30 40 HIEB COc1ccc2nc(NCCNC(=O)Nc3ccc(SC)cc3)c(C#N)cc2c1 35312365 USQREGZBBFYSHM-UHFFFAOYSA-N 407.499 4.071 30 40 HIEB N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 48020958 LELJAQOVMIFENL-FQEVSTJZSA-N 408.523 4.316 30 40 HIEB C[C@H]1CC(C(=O)O)(C(=O)O)C[C@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681926 ZRDCDISSPANBPT-WDSKDSINSA-N 404.225 4.046 30 40 HIEB C/N=C1/S[C@H](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C 105789708 BNALVGMWEZEOLQ-BFQBXFRASA-N 424.551 4.160 30 40 HIEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408571603 PEVUNNYJCAAWKE-HXUWFJFHSA-N 408.483 4.006 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1Cl 408877518 WOQKCQBBJXLORX-VBKFSLOCSA-N 410.857 4.134 30 40 HIEB CCOC(=O)COc1ccc(-c2c(-c3ccccc3)cnc(N)c2C#N)cc1OCC 408978738 JQICRSHMOAAPGV-UHFFFAOYSA-N 417.465 4.210 30 40 HIEB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)c1C 409019732 XJOWKZYQWPOGSE-XDHOZWIPSA-N 411.417 4.102 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409225707 NZUZRKIHQDKRQT-WZOFUNJYSA-N 401.419 4.366 30 40 HIEB COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccccc2C)C(=O)N1C 4574960 BDMYNWMSKJWWTI-LRWZUSMTSA-N 417.918 4.247 30 40 HIEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1F 4814718 CQRNFWCSDHGBFY-UHFFFAOYSA-N 408.502 4.342 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)c(OC)c1 4919075 JJOXAJBQAZGCHL-XXBNENTESA-N 410.466 4.032 30 40 HIEB CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1 4968303 DUCPTHPSRONHLJ-QHCPKHFHSA-N 414.557 4.344 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 5079520 ITDOFTCMHQASME-RUCTVCJSSA-N 423.509 4.288 30 40 HIEB CCOc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1OC 5268447 BGMPWWUVWJHWQM-SBUREZEXSA-N 416.481 4.101 30 40 HIEB CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 5458268 AGRNIVVLHVMIHH-QFIPXVFZSA-N 412.445 4.428 30 40 HIEB COc1ccc(-c2csc(/N=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 9442418 HWUFQPBTJREOKF-UHFFFAOYSA-N 400.456 4.481 30 40 HIEB N#Cc1ccc(/C=N/Nc2nnc(N/N=C/c3ccc(C#N)cc3)c3ccccc23)cc1 16525477 VHTRADFHPDCFFT-DPCVLPDWSA-N 416.448 4.265 30 40 HIEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967450 DKQSTJRAXGFPSO-CYBMUJFWSA-N 400.360 4.169 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1cccc(C(=O)O)c1 102660411 CAOFPIKQUGNCKX-ZIKOHYJISA-N 412.467 4.026 30 40 HIEB CN/N=C(\CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296107 AYJVPGABEZOFAX-LVBKAMOWSA-N 419.525 4.082 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 409196382 ZVHONHRLZQNNKR-DEDYPNTBSA-N 406.482 4.224 30 40 HIEB CCCOc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102701551 ZEFRKOZJBSGZTJ-WOOAAIBNSA-N 424.478 4.460 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063226 ZCJYFVJAYZSIGQ-UHFFFAOYSA-N 411.933 4.107 30 40 HIEB C=CCN(CC=C)C(=O)Cn1c([C@@H](C)NC(=O)c2ccc(C)cc2)nc2ccccc21 12563648 PWLBTOMPZCBFBU-LJQANCHMSA-N 416.525 4.036 30 40 HIEB Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 12520419 SWXQCMLPVJXWFP-UHFFFAOYSA-N 423.520 4.200 30 40 HIEB COc1cc(/C=N/N(C)C)ccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 26919836 FXWIPAZPKDDMFW-UAHQCSBISA-N 417.509 4.139 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCCCC2 3312912 QTITVGINEFHYGT-UHFFFAOYSA-N 406.866 4.477 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c(C)c1 6720084 PAGOYQSWHIFABE-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB CC/N=C1/S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1CC 408930901 DOGRDHTVDPHXAM-TWGQILOBSA-N 423.538 4.325 30 40 HIEB C#CCOc1c(CC=C)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC 408930750 BNQGHLMYISDNAG-LGUFXXKBSA-N 404.510 4.413 30 40 HIEB Cn1ccnc1COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 40139807 CJRYUSHJMZEYND-AWNIVKPZSA-N 401.466 4.022 30 40 HIEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Br)cc1 224736205 YPVQSUOIPPLRGH-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 225773375 JWNVSQZZZYZRNF-BPQIPLTHSA-N 406.507 4.498 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)C(C)(C)C)C1 19081170 MOAKUZUWSFCJQB-SANMLTNESA-N 419.569 4.248 30 40 HIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O 4910530 ALLYLUDBNMJCCC-IBGZPJMESA-N 419.525 4.406 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cc(C)ccc21 32103288 UQLHAEIPMNFPPN-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 2636652 RCYXCVOVDUAJHH-UHFFFAOYSA-N 424.957 4.462 30 40 HIEB C#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1OC 4458493 MAOPVIXQBHAQJK-XMMPIXPASA-N 414.461 4.487 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CCCCC2)C1 102683400 ASAOGVYYVSTGTP-SCTDSRPQSA-N 405.546 4.168 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 702719 SCVYCUGZQKPNPE-FQEVSTJZSA-N 406.438 4.026 30 40 HIEB CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 9466217 OKMMNNRKPSPKNQ-AWEZNQCLSA-N 417.947 4.352 30 40 HIEB Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 13059576 HQCPORXSLXKMHW-UHFFFAOYSA-N 424.570 4.096 30 40 HIEB COc1ccc(Nc2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 9874480 QTAXMXVDMMCGSH-UHFFFAOYSA-N 422.466 4.104 30 40 HIEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(I)c1O 408919403 XLTVTMJTWWUXJH-UFWORHAWSA-N 410.211 4.228 30 40 HIEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408750685 QGVMOWFIVRLERX-AFPJDJCSSA-N 413.821 4.195 30 40 HIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)c1 12363881 MXKWONYLUDTNRL-ZMOGYAJESA-N 406.438 4.425 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19500201 FCRHQIPTMHAFFK-DEOSSOPVSA-N 419.569 4.200 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2OC)cc1 12407970 KUIQYYNVZGPOTD-SPLOXXLWSA-N 418.453 4.066 30 40 HIEB CCOc1ccc(/C=C2\C(=O)ON=C2c2cccc(I)c2)cc1 1099875 WNNLXGADTHFMAD-YBEGLDIGSA-N 419.218 4.034 30 40 HIEB CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc12 5030825 ZFDTYYZPPDBYEE-JFLMPSFJSA-N 414.513 4.277 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 8856369 LVZQMOPRLDFXGG-HXUWFJFHSA-N 412.917 4.178 30 40 HIEB N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 10218311 SUIVOCKLLGNYDG-UHFFFAOYSA-N 402.541 4.081 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 13003212 CBADIEQQFKWNJK-OAQYLSRUSA-N 418.449 4.473 30 40 HIEB COc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccncc2)C4=O)c1 13732895 ODVHAYZLOJDKNR-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c1 19138432 FSMZMGBNUCMYTL-NRFANRHFSA-N 400.434 4.182 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 20135575 SZHQSVSPASSAGX-JOCHJYFZSA-N 418.493 4.271 30 40 HIEB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 29053342 YBDQBSNUOUHTNR-QFIPXVFZSA-N 422.891 4.358 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc(SCc2cscn2)cc1 32902173 LVHFXZSJLBDRRR-UHFFFAOYSA-N 409.492 4.103 30 40 HIEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3Cl)n2)cc1 223667277 JVZFPRIYLISJOJ-UHFFFAOYSA-N 424.913 4.254 30 40 HIEB C=CCOc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225773541 FATOMMSGVXSGNU-UHFFFAOYSA-N 411.571 4.211 30 40 HIEB O=S(=O)(NCc1ccc(/C=N/c2ccc(Br)cc2)o1)c1ccccc1 408773105 GJLQLEXZJHYRJO-UDWIEESQSA-N 419.300 4.271 30 40 HIEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 408811639 AEFFJRXZWCWDSC-JAIQZWGSSA-N 409.463 4.389 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccco1 813833 UTUTUIBRRFLUDV-UHFFFAOYSA-N 404.879 4.117 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N(c4cc(C)ccc4C)CC3=O)n2)cc1OC 3230036 YMCVAQNWTZSRIM-UHFFFAOYSA-N 421.522 4.161 30 40 HIEB C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCO 4028839 JREAFELZSSHHGP-SJROBZAFSA-N 403.563 4.246 30 40 HIEB biogenic CCOC(=O)[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N)C(C)=O 4451081 GSXVHNDGFWEXGG-INIZCTEOSA-N 408.401 4.252 30 40 HIEB CCCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 8396757 QQQKGURDDFWCBX-UHFFFAOYSA-N 414.575 4.466 30 40 HIEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccn2)cc1 19138721 HSMVEYMWWRDRSB-OAQYLSRUSA-N 400.434 4.182 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)cc21 19820179 XXLLDBGIZNCJJD-UHFFFAOYSA-N 405.479 4.282 30 40 HIEB Cc1cc(C)c2nc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)sc2c1 24841652 HELWTBWZSCWBLD-UHFFFAOYSA-N 404.499 4.016 30 40 HIEB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/N=C/c2c[nH]c3ccccc23)cc1 32069783 QPOFDAVQHGWPDD-XODNFHPESA-N 414.553 4.320 30 40 HIEB N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218234813 VRJNPZILLQFPQT-CVEARBPZSA-N 421.703 4.076 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2cc1OC 1355198 WONKQEGTQVWMBG-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 1815653 MAXDARDKZCEYFF-KJCUYJGMSA-N 411.504 4.279 30 40 HIEB N#CC1(C#N)[C@H](c2cccnc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 4797285 FWYZPEJXKRUYAS-WXFUMESZSA-N 402.457 4.366 30 40 HIEB CCOC(=O)c1cc(C#N)c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc1C 7149592 VQKIVOYAWSIIAG-UHFFFAOYSA-N 408.479 4.454 30 40 HIEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OC 13137339 MPGGFOVTSQBRTQ-FNORWQNLSA-N 407.260 4.467 30 40 HIEB CC(=O)Nc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 19532392 CJYPOBRYQDMLOC-UHFFFAOYSA-N 422.510 4.307 30 40 HIEB Cc1nn(Cc2cccc(C(=O)Nc3ccc(C#N)cc3)c2)c(C)c1Br 27970606 OCOYIQRQTYJBIP-UHFFFAOYSA-N 409.287 4.435 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)N1CCCCCC1 58441168 GMYSKKAHPGQTJN-UHFFFAOYSA-N 407.539 4.232 30 40 HIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 101574167 VLTZBCSODGHKBY-PMACEKPBSA-N 421.298 4.231 30 40 HIEB O=C1CCC(=O)N1SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F 102038809 YNQUWFFGBBKXLC-UHFFFAOYSA-N 411.192 4.360 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 102401962 YTDSKJXBGPEFGA-UYTDBDHRSA-N 411.508 4.349 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1OC 408894576 RKRGAQBLRMMYNF-ZHZULCJRSA-N 419.477 4.446 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC 409312145 JNLFBNCHTNUHNB-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB Cc1c(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 704512 OFMJGBYDRDNFHT-YZSQISJMSA-N 411.461 4.454 30 40 HIEB CN(C(=O)C(F)(F)F)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 3192115 XWTLDYJOXOKVAQ-GFCCVEGCSA-N 403.385 4.311 30 40 HIEB C=CCc1ccccc1OCCn1cc(/C=N/NC(=S)NCC)c2ccccc21 4083372 APYSQJXJQVKZJR-PCLIKHOPSA-N 406.555 4.267 30 40 HIEB C=CCn1c(COc2ccc(F)cc2)nnc1SCC[S@](=O)c1ccccc1 32933411 BVPZUVMRYQYWDL-MUUNZHRXSA-N 417.531 4.082 30 40 HIEB COc1ccc(-c2nc(N3CCC[C@H]3c3ccc(OC)cc3)nc(O)c2C#N)cc1 40122667 YHKUAMUBGLZWOR-FQEVSTJZSA-N 402.454 4.080 30 40 HIEB O=C(Nc1ccccn1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576079 LORIXHKZCGMACT-SSDOTTSWSA-N 406.151 4.055 30 40 HIEB biogenic O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102534715 UQLLZIZUNJSCIN-SQMUXHPUSA-N 415.848 4.080 30 40 HIEB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc(CC#N)cc4)cn1c23 226094238 XQLGSMJRDGNNHO-GFCCVEGCSA-N 422.282 4.199 30 40 HIEB CCc1nnc(N/N=C/c2c(C)[nH]c3ccccc23)n1/N=C/c1c(C)[nH]c2ccccc12 408721183 DSDXZARTDKERBP-BKHCZYBLSA-N 424.512 4.748 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(OCC)c1OCC 409071943 QVDPPYBIAMZYJT-DEDYPNTBSA-N 424.472 4.445 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 409401947 CNUXLZXQQYGECI-SNHGZMDHSA-N 424.859 4.199 30 40 HIEB C/C(=C/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 2070496 JTLONAYUOSSFTI-VAQLEAJTSA-N 405.550 4.353 30 40 HIEB COc1ccc(Cl)cc1N/C(=N\c1nc(C)cc(C)n1)NC(=O)c1cccs1 2262272 GRRVQOYHWDXMGK-UHFFFAOYSA-N 415.906 4.347 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 4328534 HQVCKHDUVHSNFC-TYPHKJRUSA-N 423.611 4.320 30 40 HIEB CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1ccc(C)c(C)c1 4549345 WCULFPBYEBMFCT-BRJLIKDPSA-N 414.893 4.287 30 40 HIEB COc1ccccc1-n1cnnc1SCC(=O)/C=C1/N(C)c2ccccc2C1(C)C 4894916 CGMRTQNXQOHNQL-FYJGNVAPSA-N 420.538 4.249 30 40 HIEB COc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)c(C(=O)O)c2)N(C)C1=O 5558021 DMTUOWPOVFZCMG-VIYXUHAESA-N 402.859 4.281 30 40 HIEB CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 6783981 YGDUUESRRUBUGH-NRFANRHFSA-N 419.433 4.162 30 40 HIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(C)[nH]3)c2C#N)C1 11659297 WJMGKONWAUXZDL-GFCCVEGCSA-N 403.577 4.318 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@H](O)CN3[C@@H](C)CCC[C@@H]3C)cc2)c1O 16608852 BDVWBPNTQNOQKA-CYEQFQIESA-N 412.530 4.154 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1F 16729244 DNZSQIZGOPROJC-NRFANRHFSA-N 418.424 4.008 30 40 HIEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1nc(-c2ccco2)no1 24828887 NWCGGNYWPWOMNT-VZCXRCSSSA-N 416.890 4.487 30 40 HIEB CCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182662 PQDSJWDMWBMIPN-FBHDLOMBSA-N 421.449 4.053 30 40 HIEB Cc1ccc(NC(=O)[C@@H](C)O/N=C(/N)c2ccc(OCc3ccccc3)cc2)c(F)c1 97571213 VZGZLYRJTIKABB-QGZVFWFLSA-N 421.472 4.377 30 40 HIEB COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccccc1Cl 409350739 YWSUITVXESXFIP-UKWGHVSLSA-N 406.916 4.122 30 40 HIEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 849275 SBCWTFVNFNTVLJ-DVCONVQISA-N 417.918 4.329 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 3640216 VBSGCXRSQWGMPT-MRXNPFEDSA-N 411.310 4.373 30 40 HIEB O=C(Cn1cc(/C=N/Nc2ccc(C(=O)O)cc2)c2ccccc21)Nc1ccccc1 5485984 PCOZHAMHEJBLNJ-AFUMVMLFSA-N 412.449 4.424 30 40 HIEB COc1ccc2[nH]c(SCC#CCSc3nc4ccc(OC)cc4[nH]3)nc2c1 5728365 LDFBUHCZSRJYQG-UHFFFAOYSA-N 410.524 4.344 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1ccccc1C 9569619 FRBCNPAFYBSZMW-KRWDZBQOSA-N 411.527 4.141 30 40 HIEB O=C1N/C(=N/NCc2ccc(Cl)cc2)S/C1=C\c1ccc(Br)cc1 11565593 ILSJUKCQACMVFM-DHDCSXOGSA-N 422.735 4.367 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 12322907 MIPUWJARNBMVMA-JEOXALJRSA-N 424.482 4.128 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 17058551 VRUXOWSFAQWOLL-FQEVSTJZSA-N 404.422 4.165 30 40 HIEB Cc1cc(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)c2ccccc2n1 18271139 LNWIJNIUZULAGE-UHFFFAOYSA-N 417.896 4.195 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1F 26459095 NVHKHLCGCCCUEJ-IBGZPJMESA-N 411.385 4.107 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCCC(C)C)cc1 32828714 TUOQHRRJUDJENF-HXUWFJFHSA-N 408.527 4.435 30 40 HIEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccccc2C(F)(F)F)c1C 72292290 UZXZTHOBCCPDMQ-UHFFFAOYSA-N 414.387 4.397 30 40 HIEB O=S(=O)(Cc1ccc(Br)cc1)/N=C(\O)c1cccc(Cl)c1F 95418620 LQBCCNCDLQDRJA-UHFFFAOYSA-N 406.660 4.076 30 40 HIEB CC(C)c1ccc(S(=O)(=O)/N=C2/C=C(Br)C(=O)c3ccccc32)cc1 100823088 HMRBLVNRWLMZLW-UZYVYHOESA-N 418.312 4.463 30 40 HIEB Cc1cnc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)s1 102060068 MPHALDWRAFKPRX-UHFFFAOYSA-N 422.219 4.288 30 40 HIEB COC(=O)c1cccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409033138 DUQGGJNGKZXPBO-KTZMUZOWSA-N 412.261 4.447 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1ncnc2sc(CC)cc12 2630204 LVOOJNBOLWVTSP-UHFFFAOYSA-N 404.542 4.238 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cc(C)ccc1C 4943879 TUVUXJCMSHLWEE-UHFFFAOYSA-N 407.470 4.199 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 13210738 NQLSRHIXCRNCHT-QFIPXVFZSA-N 416.477 4.433 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 13217617 BXPCYVVXQSMASF-NRFANRHFSA-N 416.433 4.018 30 40 HIEB COc1cc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1OC 18197464 ROVMGTZINLJFBA-JOCHJYFZSA-N 409.438 4.006 30 40 HIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(OC[C@@H]2CCCO2)c1 26412696 GQQRPAKCGKJBEO-KRWDZBQOSA-N 401.846 4.387 30 40 HIEB COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)cc1 102341442 XBAKCWBZIKJPHO-LSOMNZGLSA-N 408.479 4.065 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408802045 CHCGEARLNANJAF-RCCKNPSSSA-N 424.456 4.135 30 40 HIEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931287 JNKUFWMJCCZTTC-HZHRSRAPSA-N 407.426 4.451 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100340 DKWSHFQLNZIDTH-DEOSSOPVSA-N 409.480 4.497 30 40 HIEB COc1ccccc1NC(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C 838379 VUGVHESCILAUHA-UHFFFAOYSA-N 405.479 4.370 30 40 HIEB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 3219455 ZVEWXXNOLDFZKT-UHFFFAOYSA-N 407.253 4.204 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9272840 CWAZOYCPMKGXHG-FQEVSTJZSA-N 418.405 4.275 30 40 HIEB N#Cc1c(COC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cn2ccccc12 10425038 NLTJPRLCKPLDLR-GOSISDBHSA-N 411.870 4.011 30 40 HIEB CCOc1ccc(N2CSc3nc(-c4ccc(C)cc4)c(C#N)c(=O)n3C2)cc1 12250602 LVVQWBCRVVDMHP-UHFFFAOYSA-N 404.495 4.016 30 40 HIEB COc1ccc(C(=O)/C=C/Nc2ccccc2I)c(OC)c1 15684513 JUAMAJAXAWDDPX-MDZDMXLPSA-N 409.223 4.117 30 40 HIEB C=CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 18028833 OXDXLTYUVZGYFA-UHFFFAOYSA-N 424.537 4.484 30 40 HIEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 20729495 CDFMHSFNYMVJAG-DEOSSOPVSA-N 419.525 4.066 30 40 HIEB COc1ccccc1/C=N/N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1OC 59435455 FYTRUEUFXAFZNM-HLHNIQGOSA-N 415.493 4.081 30 40 HIEB Cc1ccc(/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 104589681 DKGFPDDGLQNENJ-XMVGPFMNSA-N 411.571 4.486 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1)S(C)(=O)=O 218392784 TUFGSPBWAOPDLJ-NRFANRHFSA-N 400.544 4.137 30 40 HIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2C)c1C 408656268 LVRMTXRMBISUBM-ZVHZXABRSA-N 401.470 4.213 30 40 HIEB CCOc1ccc2ccccc2c1[C@@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CC(C)(C)C2 818762 GXEFTIWMTQOLDJ-NRFANRHFSA-N 421.493 4.339 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(OC)c1 5500920 UJXZYORNPKFXOA-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 5695146 LFQGMJKVGJUWGL-XDJHFCHBSA-N 410.429 4.133 30 40 HIEB O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1OC(F)F)n1ncnc1N2 9487556 BRAIBTVNYINTEW-FKIZINRSSA-N 424.407 4.001 30 40 HIEB CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N 12874523 PUKVXHWGQLRSGR-QVKFZJNVSA-N 423.900 4.352 30 40 HIEB CN(C)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)cc1 16186425 VCKOPMVMLJARST-GYHWCHFESA-N 413.437 4.184 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 19928180 MTVHHMRGRYOSPL-UHFFFAOYSA-N 404.282 4.381 30 40 HIEB CSc1nnc(/N=C(\O)c2cc(Br)c(Br)s2)s1 27912484 WDVHANKYGRAMPC-UHFFFAOYSA-N 415.157 4.483 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1CC 41124427 IWDDEZVDSOGCQM-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB C=CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccccc2)=N1 57401843 KJDXIQOEUFRIAY-UHFFFAOYSA-N 414.918 4.262 30 40 HIEB Cc1ccc(-c2nc(CCNC(=O)CCc3c(C)nn(CCC#N)c3C)cs2)cc1 58192348 GSQFOYGZYRNYEG-UHFFFAOYSA-N 421.570 4.137 30 40 HIEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cncc(Br)c2)cc1 102640461 DEOGAQKXMKLLSK-HIXSDJFHSA-N 422.282 4.460 30 40 HIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 104146411 WFYCZGRAEONMMF-MRJHHRETSA-N 403.409 4.461 30 40 HIEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489142 UATIHDJPINRDKI-RUZDIDTESA-N 416.496 4.441 30 40 HIEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408855459 FGBFMTMGHSEEEQ-BHGWPJFGSA-N 420.421 4.248 30 40 HIEB CS(=O)(=O)c1ccc(C(=O)C[n+]2ccc(CCCC3CCCCC3)cc2)cc1 1694387 SKGQCFFNJOGRBX-UHFFFAOYSA-N 400.564 4.164 30 40 HIEB CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2624289 AGWXQPMQBSOMLO-UHFFFAOYSA-N 411.918 4.052 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1OC 3323436 NGDJZITVTLFSIV-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB NP(N)(=O)O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 3466376 JXCGOYQFPCCRNV-SSDOTTSWSA-N 404.169 4.238 30 40 HIEB O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(OCC(=O)N2CCOCC2)cc1 16387399 CNZSECSAXZPLBK-RMKNXTFCSA-N 420.292 4.127 30 40 HIEB COC(=O)C1=C(C)N(c2ccc(Br)cc2)/C(=C/c2cccs2)C1=O 18152460 SJKRVHHOTMYYNH-XNTDXEJSSA-N 404.285 4.388 30 40 HIEB O/C(CN1CCC[C@H](COc2ccccc2F)C1)=N\c1nnc(C2CCC2)s1 19658365 ZHJNQOIVQVXNNM-AWEZNQCLSA-N 404.511 4.324 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1 20150023 NAYCVZNDWSHASI-NRFANRHFSA-N 422.456 4.102 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 100237572 WWRXLKKVHLBDIO-LNWYJINNSA-N 421.500 4.077 30 40 HIEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1Cl 100254234 OUGWWICIJIJESP-FMCGGJTJSA-N 417.918 4.154 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(OC)cc2)cc1 102539859 SSAQPQIWTNVZDH-HOGKFDNTSA-N 415.445 4.330 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 102713633 RKCJGWAHAUYWTL-MRJHHRETSA-N 418.449 4.398 30 40 HIEB C=CCN(c1ccc(C(=O)NC(C(C)C)C(C)C)cc1)S(=O)(=O)c1ccccc1 224371772 ZRSJQDFDUALRDC-UHFFFAOYSA-N 414.571 4.478 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 239235863 WWRXLKKVHLBDIO-QDXIBXLOSA-N 421.500 4.077 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 408589569 LYSJTUCJVHTHRV-KJECIWMJSA-N 419.912 4.135 30 40 HIEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1 408757996 FKJHVYDGPNUKJL-BABSMXRMSA-N 413.502 4.428 30 40 HIEB C[C@@H](Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1)C(=O)O 409308966 ZRAJKKXWKRJXHP-MRXNPFEDSA-N 419.481 4.178 30 40 HIEB Cc1ncc(CN(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)s1 557442965 DKFBYMXOEMJNQP-UHFFFAOYSA-N 402.951 4.242 30 40 HIEB CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 4518264 ILKAZOPFWXJXIV-UHFFFAOYSA-N 410.886 4.147 30 40 HIEB O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 695543 KDGJYZVEUXIQAK-CAOOACKPSA-N 408.104 4.068 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCC3 3266177 GQJAOWMKCKNHIS-UHFFFAOYSA-N 411.552 4.172 30 40 HIEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 1417475 GBCJJUWXIKOSJR-HXUWFJFHSA-N 417.469 4.027 30 40 HIEB COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)o1 58154776 GTTVOLDLPOZECU-PKNBQFBNSA-N 417.461 4.466 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCc3sccc3C2)n(Cc2ccccc2)c1C 10342016 IKEJETVJVWSKFF-UHFFFAOYSA-N 404.539 4.083 30 40 HIEB COc1ccc(/C=C2\CCCC3=C2N/C(=N\C#N)N[C@H]3c2ccc(OC)cc2)cc1 13301366 KFPAWLRUFMXVSU-RRXSNJIPSA-N 400.482 4.296 30 40 HIEB C=CCn1c(SCCCCC)nc2ccc(I)cc2c1=O 5033013 VIIVKKYYRRNANW-UHFFFAOYSA-N 414.312 4.469 30 40 HIEB Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 5173532 YNVVFSWJWIEJNI-UFFVCSGVSA-N 405.241 4.450 30 40 HIEB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1 9328123 TXMLIMZSRAQGDH-HNNXBMFYSA-N 406.511 4.364 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Br)cc1 409274467 DGPLSICCMZGYAJ-UHFFFAOYSA-N 421.092 4.112 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCC(=O)O)[C@@H]2c1ccco1 21722502 JLKDQPCQSLSDJE-JOCHJYFZSA-N 408.454 4.287 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)n1-c1ccc(Cl)cc1 408589582 LZALUDDCCJQAMU-WKBLBQNHSA-N 419.912 4.135 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(CC)cc2)C1=O 409008228 WVIXJFRHNUBGOR-RGEXLXHISA-N 421.518 4.419 30 40 HIEB C=CCc1cc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc(OCC)c1O 33400875 UFUMVEQXZLBHPR-MEHUPPJJSA-N 415.540 4.351 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5855615 MSTCSBIYRXLMDC-MRXNPFEDSA-N 408.527 4.109 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 9324639 UOJRDEIUMARCGB-IBGZPJMESA-N 409.825 4.417 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 9327746 CCGAPELLLUTCAR-GFCCVEGCSA-N 411.512 4.453 30 40 HIEB Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(F)cc2)c(N2CCCC2)c1=O 16957273 LYWHTOFQZYMZNT-SDNWHVSQSA-N 403.457 4.083 30 40 HIEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc1 18198674 WFFHYJFDFRMNHO-HXUWFJFHSA-N 403.511 4.296 30 40 HIEB Cc1ccccc1NC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 20573688 KKOUKZJRZXZKCE-UHFFFAOYSA-N 406.555 4.472 30 40 HIEB CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)C(=O)C(F)(F)F 22067261 AIVUSJIHPDCSPS-FQEVSTJZSA-N 406.379 4.272 30 40 HIEB in-vitro C[C@H]1CCO[P@](=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 36372540 FQVNDEYXCYMBGZ-NHMDRVICSA-N 423.638 4.107 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)o2)c1 798063 DFKADHVAYPVMJK-OAQYLSRUSA-N 419.481 4.070 30 40 HIEB Cc1c(/C=N/c2ccc(Br)cn2)c(O)n2c(nc3ccccc32)c1C#N 3108162 SRJSUFRSFKQTMG-AUEPDCJTSA-N 406.243 4.281 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S 4711437 VWNWRJDAKSUPLU-KGENOOAVSA-N 415.518 4.060 30 40 HIEB O=S(=O)(/N=C(/NC(=S)OC1CCCCC1)c1ccccc1)c1ccccc1 5278383 JXXWKKXISQUARZ-UHFFFAOYSA-N 402.541 4.046 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccc(F)cc4)nc13)O2 5347461 MNMFMNWMGBECNG-LJQANCHMSA-N 412.424 4.462 30 40 HIEB C=CCOc1ccccc1CN(C(=O)c1c(C)noc1C)c1ccc2c(c1)OCO2 7737535 BAAHFWTXINCUQY-UHFFFAOYSA-N 406.438 4.432 30 40 HIEB C=CCOc1ccc(/C=C2\N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)cc1 12895408 MEPSQNMALIYEID-WJDWOHSUSA-N 401.365 4.206 30 40 HIEB C=CCN(C(=O)CCn1cnc2sccc2c1=O)c1nc(-c2ccccc2)cs1 14055316 ZOLIXSHIFHPEQO-UHFFFAOYSA-N 422.535 4.191 30 40 HIEB CCc1nnc(N/N=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)n1N 15228293 DBZUZXCFOPVTRZ-AQHIEDMUSA-N 423.279 4.025 30 40 HIEB COC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)OC 16189595 LIGQBWZQGJAEQK-UHFFFAOYSA-N 418.474 4.094 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 19535657 KPDUHHGDYXEYCL-HSZRJFAPSA-N 403.478 4.407 30 40 HIEB COc1ccc(/C=N\Nc2nnc3c4cccnc4c4ccccc4c3n2)cc1OC 31760229 KZLGCNRXVVXSOD-MXAYSNPKSA-N 410.437 4.189 30 40 HIEB O=C1C(Nc2ccc(Cl)cc2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 100112228 LORBMDQOBUYYLQ-UHFFFAOYSA-N 400.825 4.445 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 104076947 SBEFTTPXCQKISB-YDJIHCHBSA-N 418.380 4.360 30 40 HIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/NC1=C(C)[C@@H](C)[C@@H](c2ccccc2)C1=O 1554503338 FENKODFONSFNEI-CXXJGXFXSA-N 420.900 4.285 30 40 HIEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc(Br)cc1 2789796 ABDIILNBKLOYKE-AWQFTUOYSA-N 419.304 4.173 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C#N)C1 2797725 KLRNUHNBQTXOKB-ZDUSSCGKSA-N 410.474 4.369 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 4538194 OHMKVEWWMYBGEC-NRFANRHFSA-N 416.433 4.018 30 40 HIEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@@H]2c1ccc(CC)cc1 4717949 QBGJAWNDGWEBRB-HYFFOGBASA-N 423.534 4.104 30 40 HIEB N#CCCNC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 8089113 UEVMMLQPWWEREC-UHFFFAOYSA-N 411.512 4.196 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccc2)c2nc(-c3ccccc3)nnc2O)cc1 17119704 YKGNBZKPVOGATI-NCELDCMTSA-N 412.409 4.017 30 40 HIEB COc1ccc(N/N=C2/C(=O)N(c3ccccc3C)N=C2c2ccc(OC)cc2)cc1 18192730 SMMGXMQZZFDMFD-WNAAXNPUSA-N 414.465 4.231 30 40 HIEB COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 19772577 DFTXUMHPBHOBGD-QFIPXVFZSA-N 409.507 4.468 30 40 HIEB COC(=O)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19850594 AKEMZTCLVWDOLC-OVVQPSECSA-N 411.505 4.195 30 40 HIEB COCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc21 24048548 VVSUPHFZFJUOPH-ZDUSSCGKSA-N 414.918 4.327 30 40 HIEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 27792965 DUKONWZMAHXPCZ-KRWDZBQOSA-N 414.918 4.414 30 40 HIEB Cc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1 96305620 NGMCJGBAYSIGNO-UYRXBGFRSA-N 419.502 4.331 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)no1 102369263 DUAJJHYMHKXONE-LFVOPCPISA-N 424.478 4.458 30 40 HIEB Fc1ccc(/C=N\NC(=N/N=C/c2ccc(F)cc2)N/N=C/c2ccc(F)cc2)cc1 104392274 ZHSVKJZFTZGSQU-WWMBOYFRSA-N 422.414 4.041 30 40 HIEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223061747 QQINLNAZOPNHNJ-RUZDIDTESA-N 412.533 4.171 30 40 HIEB C#CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408571602 PEVUNNYJCAAWKE-FQEVSTJZSA-N 408.483 4.006 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)cc1 409336442 SMJVFKZBDQIRJD-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB C=CCO[C@H]1CC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)c2cc(C)ccc21 585105630 KRYMBPHBJYKQNX-IBGZPJMESA-N 415.484 4.488 30 40 HIEB O=C1CCCC2=C1[C@H](c1cccnc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2 959816 PMEBXXIBRKANAY-SFHVURJKSA-N 416.506 4.022 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/c1ccc(C)cc1 3249455 OIHGJAXRAVVLHC-XUKXGFMLSA-N 421.522 4.344 30 40 HIEB Cc1ccccc1OCCC(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 3279931 RPVBJEUPDBTVMS-AWEZNQCLSA-N 412.511 4.004 30 40 HIEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1c(Br)ccc2c1OCO2 5600660 PRFZJGHCDROECV-RIYZIHGNSA-N 403.257 4.069 30 40 HIEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)NCc1ccccc1 6479251 KNUOZLJTFOHQAC-UHFFFAOYSA-N 422.554 4.068 30 40 HIEB Cc1cccc(N2C(=O)N(Cc3cccc(C#N)c3)c3ccccc3S2(=O)=O)c1 6918525 BDHQNXQAAMPVDL-UHFFFAOYSA-N 403.463 4.202 30 40 HIEB aggregator C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)/C=C/c1ccc(OC)c(OC)c1 7759934 CTKKWTOKCOKKJZ-ZRDIBKRKSA-N 419.481 4.290 30 40 HIEB CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1 36391191 CSTPQBPLKDJKIW-CQSZACIVSA-N 407.333 4.483 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(OC)c1 59807605 PYHQGJDCJKOQGE-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB C=CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc(NC(C)=O)ccc21 100703297 IZISIBRTPMENNE-ATJXCDBQSA-N 408.508 4.198 30 40 HIEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224841431 MPLXKTTXCXPVNV-UHFFFAOYSA-N 400.283 4.146 30 40 HIEB O=C(O)c1cccc(Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)c1 409106452 MFLHPEICTVGOLX-WYMPLXKRSA-N 415.409 4.137 30 40 HIEB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)COc2ccc(C#N)cc2)c2ccccc2)c1 3314080 YSDAUEWIURLQKF-XMMPIXPASA-N 414.461 4.477 30 40 HIEB C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 5092001 HLIJUTRTSWJLDG-QWFCFKBJSA-N 414.509 4.463 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3ccccc3)C(C)C)nc12 12554241 CCWKURJNFPOPAQ-UHFFFAOYSA-N 419.554 4.234 30 40 HIEB Cc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 38653607 FFPZNKUYNWMQJK-UHFFFAOYSA-N 402.473 4.087 30 40 HIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 44859081 RAPGDMOFEOWTIQ-QFIPXVFZSA-N 414.465 4.166 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@@H]12 61991152 QFCBTOZSDBUXDI-HROMDODWSA-N 424.585 4.131 30 40 HIEB biogenic N#Cc1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl 84596330 XPMQWMAEFFQIRZ-UHFFFAOYSA-N 406.298 4.215 30 40 HIEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224802790 OSLZTUUDYOFRAZ-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB CC/N=C1/S/C(=C/c2cc(Br)c(OC)c(OCC)c2)C(=O)N1CC 408930868 DCYYZRWWWAPQDP-KOJZBUGZSA-N 413.337 4.169 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc2ccccc2o1 409332891 SONQAFWPIWEQPQ-UHFFFAOYSA-N 404.495 4.286 30 40 HIEB COC(=O)c1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)cc1 1081801534 KUNIPLHOIJFHHR-ZVCOJXFSSA-N 416.385 4.123 30 40 HIEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1OC 2586914 ABBIMKFXFFWGJT-UKWGHVSLSA-N 409.298 4.440 30 40 HIEB Cc1cc(C)n(-c2cc(N/N=C/c3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)n2)n1 4595649 DCUULFBXALXKGS-OEAKJJBVSA-N 413.441 4.300 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)c2C#N)C1 8273988 IOGQTJARGFOXOF-JTQLQIEISA-N 415.569 4.322 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccc(O)cc45)[C@H]3C[C@@H]12 12661772 SYOZIQWKUALTLK-LMFLMHRHSA-N 408.542 4.320 30 40 HIEB biogenic C=CCn1c(SCc2nc(CC)no2)nc2scc(-c3ccco3)c2c1=O 13018400 UCBSFXALFUHNJV-UHFFFAOYSA-N 400.485 4.142 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)c(OC)c1 13127046 MBXMRLIGVHEUNK-IQMFZBJNSA-N 416.481 4.019 30 40 HIEB COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 17160775 MSTCQTKEHYPMBB-NRFANRHFSA-N 419.433 4.081 30 40 HIEB Cc1nc(C)n([C@H](C)CC(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)n1 19285668 VXTUAORIPBZKDH-GOSISDBHSA-N 415.541 4.265 30 40 HIEB N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nccn1C1CC1)CCCC2 32331221 SFJFILUFOAOJFS-UHFFFAOYSA-N 417.538 4.490 30 40 HIEB C[C@@H](O/N=C(/N)c1ccccc1CN1CCCCC1)c1nnc(-c2ccccc2)o1 72311207 MENABGUXNVAINC-QGZVFWFLSA-N 405.502 4.121 30 40 HIEB CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253505021 HKTPWOIJKNNTFE-ARXCBNOMSA-N 414.615 4.167 30 40 HIEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OC 408590166 GKOOECVIINHHOC-VXLYETTFSA-N 409.236 4.315 30 40 HIEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 5860957 XXZFGWUPDCWIGV-HNNXBMFYSA-N 401.919 4.488 30 40 HIEB N#C[C@@H](C1=NS(=O)(=O)c2ccccc21)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 9090573 OCGQGKBECZHGQJ-LEJIWSMMSA-N 423.563 4.410 30 40 HIEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635454 DKIMKQGKMXWODY-IBGZPJMESA-N 419.529 4.012 30 40 HIEB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1 22409864 KFIYZJDUSCKIKA-RUZDIDTESA-N 411.461 4.201 30 40 HIEB N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2 23153769 RRROLHCBMOXUHX-UHFFFAOYSA-N 424.507 4.400 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cccc(C)c2C)=N1 57401520 MPUWTMIXBSOJRU-UHFFFAOYSA-N 408.527 4.225 30 40 HIEB COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)ccc3C#N)C2=O)cc1 103128956 QKMKYLMOGKNSHT-FQEVSTJZSA-N 415.474 4.053 30 40 HIEB C/C(=N/N)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296287 WROAEXIOBUXXSI-ZUPAOELISA-N 419.525 4.067 30 40 HIEB COc1ccccc1NC(=O)COc1ccc(/C=N\Nc2ccccc2)cc1OC 409007020 MGAILIIHYAWCPJ-IWIPYMOSSA-N 405.454 4.167 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)C1=O 409096507 DNJBMIZWJYBSQG-MDWZMJQESA-N 416.282 4.158 30 40 HIEB CCOc1ccc(C=CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 2041477256 KVABLDHEQSMFLE-OAQYLSRUSA-N 424.517 4.169 30 40 HIEB biogenic CCCCN(CCCC)c1ccc(C(NC(C)C)=c2ccc(=C(C#N)C#N)cc2)cc1 2305373 DRIORVICFYDBQL-UHFFFAOYSA-N 414.597 4.446 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccc(C)cc1 4817071 ZCHKUBVVYKYVRF-UHFFFAOYSA-N 421.526 4.129 30 40 HIEB C=CCn1c(SCC(=O)N(CC)c2ccccc2)nnc1-c1ccc(OC)cc1 5855726 VTDQKEIDMLUFBX-UHFFFAOYSA-N 408.527 4.285 30 40 HIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 14014806 KOKJWCYOIUJKKO-UHFFFAOYSA-N 415.537 4.480 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2ccc(I)cc2)c(OC)c1 14862758 KSFPEOUCAGIHKY-UHFFFAOYSA-N 423.250 4.046 30 40 HIEB CCNc1c(/N=C(\O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(=O)oc2ccccc12 28048983 IRINIAUDDGMSFK-OAHLLOKOSA-N 405.454 4.174 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2)cc1 102926742 XUZZUBPTMXZNPS-SELCWUDQSA-N 406.463 4.168 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccc(O)c2)sc1C 102929030 YCWSEDMHRDOGMR-GHNGSUTGSA-N 406.463 4.092 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 245238492 RKXPVICVAJINNA-CCDWMCETSA-N 407.510 4.402 30 40 HIEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 408760590 BHSRUPCBEFGHEM-UWPAOYMWSA-N 406.294 4.068 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)N(C)C1=S 409043449 FHTOVWOZTAGXFL-WQRHYEAKSA-N 411.914 4.210 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)S2)cc1C 409145112 QAXUBXSZHYKZAG-MOSHPQCFSA-N 411.502 4.171 30 40 HIEB COc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(C(C)C)cc2)c(C#N)c1=O 409197687 MDWIPGVRVCULLV-RAXLEYEMSA-N 415.449 4.105 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccn2)n1 4871475 FDDWDDCGOIXFAD-NRFANRHFSA-N 414.513 4.183 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6412944 BAYWHAMXOQLZIJ-NRFANRHFSA-N 416.433 4.331 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6720040 BRPYMQXBKFKNIF-UYAOXDASSA-N 411.885 4.406 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC 8991617 ZWMXQRMLABGXJR-AOMKIAJQSA-N 417.465 4.353 30 40 HIEB C#CCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119071 ATYXFGNMUSDEPY-WSDLNYQXSA-N 407.695 4.247 30 40 HIEB O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCCCO2 12560644 YJIRHVVIZYDPNK-UHFFFAOYSA-N 411.504 4.110 30 40 HIEB C[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 12742543 ZYOOYEANQJKUOP-OAHLLOKOSA-N 408.506 4.371 30 40 HIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C#N 13139990 VAENRGVUISGSIU-VROXFSQNSA-N 424.844 4.466 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C(C)C)C1 19085121 MFDZRIOUKKYTHK-RUZDIDTESA-N 408.517 4.212 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1 20082786 ANVMJIRGBBCRSG-JOCHJYFZSA-N 422.525 4.005 30 40 HIEB CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 20230147 QLKSKVXPGLHBAH-JOCHJYFZSA-N 422.525 4.004 30 40 HIEB COc1c2c(cc3c1[C@H](C#CCSc1nc4ccccc4s1)N(C)CC3)OCO2 20411840 AFLVWZIUIJSHJS-INIZCTEOSA-N 424.547 4.358 30 40 HIEB biogenic CC(C)c1ccccc1/N=C1\SCCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 32971573 VLOBRYZPKMZHCS-YOYQXUPOSA-N 417.600 4.217 30 40 HIEB C=CCOc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 101313987 ZFEQTFKSWTUIGO-JBCNATCCSA-N 416.433 4.174 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O 223425780 ACAVLYAZORFIRG-SFHVURJKSA-N 400.544 4.055 30 40 HIEB COCc1cc(C)nc(N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)c1C#N 408730674 TUTGBZMGZKHRCK-WGARJPEWSA-N 416.481 4.442 30 40 HIEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 937265 GKKBPCHACKETSW-PXAZEXFGSA-N 406.511 4.097 30 40 HIEB CCCCOC(=O)C(=O)/C(=C/n1c(=S)[nH]c2cc(C)ccc21)C(=O)C=C(C)C 1637584 JFSFRKMUYXRHLY-NTCAYCPXSA-N 400.500 4.296 30 40 HIEB Cc1ccc(C(=O)C2=C(N)OC3=C(C(=O)CCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2152333 HOLJUVPQAJBKMU-IBGZPJMESA-N 404.422 4.077 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 3516205 XPWIMULDDMVFMA-ZDUSSCGKSA-N 417.600 4.062 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC 4684721 IKLILXTUHUWGJT-OAQYLSRUSA-N 405.454 4.072 30 40 HIEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(Br)c1 5009236 JEYBZXGMGNFPKY-UHFFFAOYSA-N 400.301 4.084 30 40 HIEB COc1cc(NC(=O)c2cccc(C#N)c2)c(OC)cc1NC(=O)c1ccccc1 5617398 NYURHZDFJINHHM-UHFFFAOYSA-N 401.422 4.080 30 40 HIEB O=C(Nc1ccc(I)cc1)C(F)(F)C(F)(F)C(F)(F)F 9065254 DMLVEAMHURIWKU-UHFFFAOYSA-N 415.046 4.063 30 40 HIEB C=CCn1c(SCc2ncc(Cl)n2C)nc2sc3c(c2c1=O)CCCC3 14758049 NBSQNIODCWNYMB-UHFFFAOYSA-N 406.964 4.202 30 40 HIEB CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N 19946988 UFZFZKWFQIVUBF-UHFFFAOYSA-N 400.891 4.163 30 40 HIEB N#Cc1c(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 20478976 MNEQWVQIPVOLJI-UHFFFAOYSA-N 411.458 4.448 30 40 HIEB C=CCn1nnnc1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 22111198 ITDMICJMIOUCIF-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB C=CCOc1ccccc1CN1CCC(c2cc(O)nc(-c3cccnc3)n2)CC1 72392782 TXFCJCNGNHRYBT-UHFFFAOYSA-N 402.498 4.189 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)SC1=S 113834858 AKHQAKKRLXUGHP-YBFXNURJSA-N 410.520 4.367 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)o1 222318704 XNMTUWSDEQIYCH-UKNQBEJSSA-N 406.869 4.295 30 40 HIEB CCOc1c(Br)cc(/C=N/Nc2nc3ccccc3n2C)cc1OC 408661429 QQTXUTZKUGXWLU-RGVLZGJSSA-N 403.280 4.189 30 40 HIEB C=CCn1c(C)c(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c2ccccc21 408814144 QIOVNOJSJJCLEW-UHFFFAOYSA-N 422.525 4.497 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 409020290 NNHXZRCNDCRRRI-LICLKQGHSA-N 419.239 4.237 30 40 HIEB N#Cc1cc2cc3ccccc3nc2n2c(=O)c3cc(Br)ccc3nc12 3182751 VKALEESTJRWZOM-UHFFFAOYSA-N 401.223 4.183 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 4603938 LTXPGCSTSMOQFU-LVWGJNHUSA-N 413.437 4.431 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(OCC)c1 5489137 DPPBKVKCBATNMG-NRFANRHFSA-N 419.477 4.225 30 40 HIEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 6057165 ZHFBEWWQFFNPRI-FYJGNVAPSA-N 416.300 4.396 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 6720095 UQWDJJVOHGGINJ-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB CCc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 8023922 MUIWZENQYFQIKF-QHCPKHFHSA-N 418.493 4.266 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccccn3)c(=O)oc2c1C 12296917 IRJYPWFRZKVSBM-UHFFFAOYSA-N 406.482 4.009 30 40 HIEB biogenic COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 13570461 HSNGYUXQCGISBC-IBGZPJMESA-N 424.840 4.428 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(C)c32)cc1O 18198337 IOPGHBKHZCAHAI-RBZFPXEDSA-N 407.495 4.452 30 40 HIEB COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 19535807 FVGAJYSGWWZLTP-HXUWFJFHSA-N 411.498 4.029 30 40 HIEB C=CCc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(OC)c1O 38160129 NBDOVDDOBRILLE-SXGWCWSVSA-N 412.829 4.289 30 40 HIEB C=CCn1cc(CN2CCc3c(O)nc(N4CCC(C)CC4)nc3C2)c2ccccc21 72335644 SOWILKCQVVRXFG-UHFFFAOYSA-N 417.557 4.118 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1 101252803 HPYXJYJECHFNPV-SGNDLWITSA-N 423.472 4.226 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 102804305 MUEWLLNJFMJXRO-NHFXJNLRSA-N 422.412 4.147 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)cc(OCC)c1O 253386169 VWGIZZVVPDJXSR-UGKGYDQZSA-N 420.557 4.171 30 40 HIEB CCOCCN1C(=O)/C(=C/c2cccc(OC)c2OC)S/C1=N/c1ccccc1 408928915 FZBGTHLIVXVNAD-HIZKOGFASA-N 412.511 4.344 30 40 HIEB C#CCOc1c(I)cc(CNc2ccccc2C)cc1OC 409113437 FZWCQVDLKNXWCF-UHFFFAOYSA-N 407.251 4.232 30 40 HIEB COc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C 409124543 IDBJKMBEYAVDNS-YVLHZVERSA-N 400.887 4.366 30 40 HIEB COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)c1 4279850 PPKWZSIAOXQGPA-QFIPXVFZSA-N 416.481 4.293 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(N(C)C)cc1 5931343 CSQCQABMFKLXLP-ACJLOTCBSA-N 424.570 4.291 30 40 HIEB COc1ccccc1N1C[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1=O 6602241 PQOFSKHCVPZOBG-HXUWFJFHSA-N 412.445 4.192 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3F)o2)n1 7780412 UKQIYSXJINQZDP-MNDMWVCDSA-N 410.426 4.284 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)sc2c1CCC2 7982032 KHKGTQWSZIORQW-UHFFFAOYSA-N 419.506 4.264 30 40 HIEB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cn(CCC#N)c3ccccc13)CC2 8344173 RFVIXCDXGNKKED-CMDGGOBGSA-N 415.493 4.170 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccc(F)cc2)cc1 12391086 IALFTBQCBIGBPX-JLTOFOAXSA-N 406.417 4.197 30 40 HIEB C=C(C)CSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 12562687 KIUNXTKSGQCFKB-UHFFFAOYSA-N 423.589 4.030 30 40 HIEB CCN(CCC#N)c1ccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(C)c1 22933204 GWNJXJKWEDSSMF-VWLOTQADSA-N 424.564 4.037 30 40 HIEB C=CCOc1ccccc1[C@H]1NC(=S)NC(c2ccc(Cl)cc2)=C1C(=O)OC 105093763 RBNKSAMSBSHIHY-LJQANCHMSA-N 414.914 4.008 30 40 HIEB COCCCN1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 408931246 IXSJDRRQRQEWSS-QSLYDIHDSA-N 407.495 4.229 30 40 HIEB Cc1cccc(COc2ccc(Cl)cc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409403740 BCQRJKVACXKJAJ-KLDKWKSESA-N 420.896 4.368 30 40 HIEB Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] 845139 WAODQXBPWOLQDT-CYBMUJFWSA-N 415.519 4.131 30 40 HIEB COc1ccc(CCNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1OC 2417292 DFDNVOMTJRQFAJ-UHFFFAOYSA-N 413.861 4.450 30 40 HIEB CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C#N)c1 5125643 GGQBOFYKPLCBNF-CLCOLTQESA-N 400.221 4.120 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 5130161 VCZSRQNQQHFRQQ-JOCHJYFZSA-N 406.457 4.441 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)c1 5408596 WXHPVVUITAQWMI-NRFANRHFSA-N 418.449 4.160 30 40 HIEB CCOC(=O)COc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811863 BBPCHUDVRYVUKZ-LSHDLFTRSA-N 411.285 4.068 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10357755 RPPRUXYXZVHTLL-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1ccccc1F 19787409 OFTVBCBSQYSOQJ-PQIDUSIDSA-N 422.500 4.145 30 40 HIEB Cc1sc(NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c(C#N)c1C 40129058 VWCLILQGUVTPFE-UHFFFAOYSA-N 401.488 4.213 30 40 HIEB Cc1ccccc1NC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 409005190 DKRYBCOCAYOQLH-UCQKPKSFSA-N 404.426 4.367 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccc(C)cc1 409144118 NHHXQVCUXMUWDT-NRFANRHFSA-N 419.477 4.038 30 40 HIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)OC(C)C)cc2)S1 409186354 AVDKBWAYVNZSBI-UNOMPAQXSA-N 410.495 4.217 30 40 HIEB COC(=O)c1ccc(NC(=O)/C=C/c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 2628679 IOCSCEIOYJOUBT-KPKJPENVSA-N 418.428 4.041 30 40 HIEB COc1ccc([C@H]2C(C(C)=O)=C(C)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 5348393 QNMHABXSEQJSCB-FQEVSTJZSA-N 412.449 4.187 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(OCC)c1 5489142 DPPBKVKCBATNMG-OAQYLSRUSA-N 419.477 4.225 30 40 HIEB O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1F 6132377 RGKLKJNJAAEHLQ-YYDJUVGSSA-N 412.461 4.159 30 40 HIEB Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C[C@H]1COc2ccccc2O1 7052091 UIOQBWZISLNKPO-SFHVURJKSA-N 419.506 4.187 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1 9530987 JDLXMLVUHGCCBA-QRVIBDJDSA-N 416.429 4.434 30 40 HIEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(OC)c(Br)c2)cc1 19850085 BDAWAHDKHISJDY-GRSHGNNSSA-N 419.304 4.270 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)cc1OC 20196367 JFZAPYZGQAPCBF-CVKSISIWSA-N 401.466 4.278 30 40 HIEB N#Cc1c(CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cn2ccccc12 23186283 IDMCWQNJQVLKON-UHFFFAOYSA-N 424.504 4.499 30 40 HIEB COc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc23)CC1 38653231 LEURIWGUMATURB-UHFFFAOYSA-N 404.445 4.109 30 40 HIEB COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1nc(C)c(C)s1 102543688 QUXNWHFBEOIMSB-WOOAAIBNSA-N 420.490 4.395 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 102804414 UYFBXDYROPCMOD-YDJIHCHBSA-N 404.422 4.008 30 40 HIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C 408592622 MZGJHKWSJBQCOS-WSDLNYQXSA-N 424.413 4.470 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=Nc1ccccc1 409126688 BNJFMFBQZTYGOY-OIBHPTRJSA-N 411.502 4.286 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(CC)c1C 409333147 IXCQFGMIBPOXAG-UHFFFAOYSA-N 415.335 4.432 30 40 HIEB COc1ccccc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531131587 JOYBNQLKKBMEFN-UUYOSTAYSA-N 414.303 4.347 30 40 HIEB C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CC(C)C 11718031 KNSLPGKEXVECGG-UHFFFAOYSA-N 422.620 4.300 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccco1 795042 AJHCXYJZHMTSGC-SJCJKPOMSA-N 422.264 4.344 30 40 HIEB CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 6371719 CEPOONXTYNXFSS-KRWDZBQOSA-N 406.869 4.462 30 40 HIEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@H]1c1ccc(Cl)cc1Cl 35833328 KKLOEHIWPXZXEA-QRVBRYPASA-N 409.276 4.006 30 40 HIEB N#Cc1c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)sc2c1CCCC2 36613777 IRNQQHGFXSFBEX-UHFFFAOYSA-N 418.522 4.187 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846042 WHLMRCATEYFITR-QHCPKHFHSA-N 424.456 4.498 30 40 HIEB C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 4047879 DTQYLPCUVAOISE-KGENOOAVSA-N 413.477 4.419 30 40 HIEB CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)c1 4538209 BJNXTCZNNSJWBT-OAQYLSRUSA-N 418.449 4.160 30 40 HIEB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1C#N 4672290 YVCIGSSUXLZKMG-ODLFYWEKSA-N 410.520 4.367 30 40 HIEB C=CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] 4740981 UFRPFBJWGHTDAL-UHFFFAOYSA-N 422.529 4.453 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)ccc1O 409401022 BQUBJORNVCYHPA-UHFFFAOYSA-N 420.266 4.414 30 40 HIEB O=S(=O)(c1cccc(-c2csc(N/N=C/c3cccs3)n2)c1)N1CCCC1 16735016 MKKWOFJQCANBFC-XDHOZWIPSA-N 418.569 4.102 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccco2)c1 32739455 IIYXYILXWJNAHP-QGZVFWFLSA-N 410.495 4.152 30 40 HIEB CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)ccc1OCC#N 409402693 IVMHOSCHVNAVSO-UHFFFAOYSA-N 424.460 4.247 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C(=O)O)cc1 35669451 HFHNENCKWPGSEE-WBCKRXDOSA-N 412.467 4.026 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5205345 MWDXPQSKADUFNU-OAQYLSRUSA-N 414.417 4.404 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 19898801 WFUUSZOGXYJQBH-SFHVURJKSA-N 419.308 4.133 30 40 HIEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O 4616638 HYGFSDTUAZECMX-MLVIZHJXSA-N 410.524 4.195 30 40 HIEB CCOC(=O)C1=C(Nc2cccc(C)c2)S/C(=C\c2ccc(O)c(OC)c2)C1=O 4674733 QGFTWSFLUNDTDO-PDGQHHTCSA-N 411.479 4.253 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)c1 5408620 SIJDUNLONLPTSA-OAQYLSRUSA-N 418.449 4.160 30 40 HIEB C=CCn1c(SCC(=O)NC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 5776445 ZKPMEKVQYQPSGQ-CQSZACIVSA-N 404.605 4.182 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 6620752 ICWMCMNEKIVHTL-OAQYLSRUSA-N 409.482 4.391 30 40 HIEB C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 12876161 XHWJEUDZOHYBMJ-CJNGLKHVSA-N 413.503 4.336 30 40 HIEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 16755237 HRFLRAWJMJXBGK-NRYCMEERSA-N 400.934 4.005 30 40 HIEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 20195679 IBAQGPGISGTRJS-MFKUBSTISA-N 421.453 4.315 30 40 HIEB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2)c1C 32932341 QCUXNKPJSLFCQM-UHFFFAOYSA-N 424.438 4.071 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@@H]12 61997010 FZFNSVTYWBAPRB-PWKSBJOCSA-N 412.549 4.262 30 40 HIEB biogenic CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628270 PHOMAYWFINKALA-AEKNLGIRSA-N 410.524 4.277 30 40 HIEB N#C/N=C(\Nc1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 113482133 FCGSUMSDJMCHMY-OAHLLOKOSA-N 419.293 4.308 30 40 HIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCO2 408931782 QEQFCQWLCHUVJM-MFKUBSTISA-N 403.482 4.410 30 40 HIEB COCCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 408939766 UHIRIOVBUXEHJE-BLFRMDKKSA-N 412.511 4.344 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 3284530 RDSPALLZAGZYNZ-UHFFFAOYSA-N 417.490 4.192 30 40 HIEB O=C1C=C/C(=C(\c2ccc(O)c(Cl)c2)c2ccccc2S(=O)(=O)O)C=C1Cl 4261890 QXTPRQZMDKBTAI-UNOMPAQXSA-N 423.273 4.356 30 40 HIEB CCn1c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)nnc1-c1ccco1 7653499 YGYQXGGKIQCHCR-UHFFFAOYSA-N 409.515 4.214 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714874 BZRFDEQLHJMGNW-IBGZPJMESA-N 422.934 4.088 30 40 HIEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1ccc(F)cc1 34863980 MXEUMHFBFGIJPA-QFEZKATASA-N 408.429 4.403 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)no1 102799327 OTXVYHTVVXLLTK-NHFXJNLRSA-N 418.380 4.495 30 40 HIEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 169690740 NYERNECKBAKABG-MJNRLEINSA-N 409.489 4.221 30 40 HIEB Oc1nc(=N/N=C/c2cccc(Br)c2)n(-c2ccccc2)c2ccccc12 408733544 ZBXDSBQSEXLZNN-OEAKJJBVSA-N 419.282 4.428 30 40 HIEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N1C 408773775 SLQCUCUIBANTRC-XXUJCTABSA-N 404.333 4.389 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408903639 VGHUAQHSKXRPQL-XSFVSMFZSA-N 416.408 4.210 30 40 HIEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408945612 XCSMKBQLOPERSC-CXUHLZMHSA-N 417.215 4.252 30 40 HIEB Cc1c(/C=N/N2C(=O)CSC2=S)c2ccccc2n1Cc1ccccc1C#N 409339238 GAHCWAPBBSCZHY-FOKLQQMPSA-N 404.520 4.064 30 40 HIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 2359601 JQMMNYZAOBYFHP-RTEBGVHSSA-N 415.490 4.087 30 40 HIEB N#Cc1cccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccccc4)ccc(=O)n2C3)c1 4258794 ZTRMEGWKGPFYTH-AZUAARDMSA-N 410.477 4.038 30 40 HIEB biogenic,in-vitro O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 6110500 HSGPXIOMNOQHKC-GRSHGNNSSA-N 413.838 4.119 30 40 HIEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 6824562 VMIHCAYHJNJLPK-NSHDSACASA-N 403.960 4.454 30 40 HIEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(OC)c(Br)c1 10002524 PPJANZZEJTZUBJ-CSQSHRMHSA-N 420.259 4.198 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccccc2F)cc1 12389376 JSILQWHOQBESMV-RBZFPXEDSA-N 406.417 4.197 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 16157785 CNSRFGHARLMCHL-RGVLZGJSSA-N 419.846 4.129 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccc(C)c1 17094036 AGNJIKVJHYLWJG-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102880978 QZASJCFAWQUTBM-UYAGBXLBSA-N 411.885 4.249 30 40 HIEB OC(COCCCC(F)(F)C(F)(F)F)COCCCC(F)(F)C(F)(F)F 103537729 YYXIMSOZWQMKCY-UHFFFAOYSA-N 412.264 4.336 30 40 HIEB C=CCSc1nnc(NC(=O)COc2ccc(CC)cc2Br)s1 225165966 MCLKASZGGQCSFA-UHFFFAOYSA-N 414.350 4.159 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc2c(cc1Cl)OCO2 409405215 NLAJFNLXUWSDPR-UHFFFAOYSA-N 403.825 4.328 30 40 HIEB N#Cc1ccc(Nc2nc([C@H]3CCCN(Cc4cc5ccccc5[nH]4)C3)cs2)cn1 585295446 ZNXDTZAESJNVSV-KRWDZBQOSA-N 414.538 5.014 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 1817151 KIEIPNZEYMBZJS-DHPNBBBLSA-N 414.796 4.086 30 40 HIEB C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 2212283 SNLVZQRDYKDHGH-IBGZPJMESA-N 411.841 4.200 30 40 HIEB CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 2340921 SSURETABIDPLEY-IIGRLWHBSA-N 410.543 4.005 30 40 HIEB C=CCn1c(SCC(=O)OC(C)(C)C)nc2scc(-c3ccco3)c2c1=O 3365594 NRCUQLCDAMGCLB-UHFFFAOYSA-N 404.513 4.338 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 4853378 PVJHULUZPDMYNO-OAHLLOKOSA-N 409.404 4.196 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C 5476025 GYOKWKLUMQPBBP-UHFFFAOYSA-N 403.276 4.354 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc([N+](=O)[O-])cc1 8435821 WWUPKIKRVDAXBU-ZROIWOOFSA-N 404.245 4.249 30 40 HIEB CN(C)[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1cccs1 27794175 UHTMVMQDATWUPN-NSHDSACASA-N 407.293 4.345 30 40 HIEB COc1ccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1OC 31777108 MMFDMMMDDBWSAP-UHFFFAOYSA-N 402.450 4.336 30 40 HIEB CCOc1ccc(NC(=O)NCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312863 SJCKFVQQZJOCID-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cnc4ccccc4c3=O)c2C#N)C1 59315930 GRPDYRHWFPKUEC-CQSZACIVSA-N 420.538 4.119 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 102802992 MQQDJCAHHZTWOH-HOGKFDNTSA-N 423.509 4.098 30 40 HIEB O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)/C1=C(/O)c1ccccc1 102873090 WPZQLPYCVCYTLS-LCPUNJGISA-N 400.390 4.221 30 40 HIEB Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408870093 UVXSYMGMSPUBOX-AWQFTUOYSA-N 421.295 4.238 30 40 HIEB CC1(C)CC(=O)C=C(OC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)C1 810834 KWHZAHRLTCQJOY-UHFFFAOYSA-N 413.429 4.145 30 40 HIEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1 4016919 PAVYNXVAYPYRFY-OEAKJJBVSA-N 413.441 4.216 30 40 HIEB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1F 4826330 JYIOYUIOTDDZHW-AENMBQTOSA-N 414.396 4.496 30 40 HIEB CCCOc1ccc(/C=N/c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(O)c1 4964068 ORZDCYJTBFVCPY-HYARGMPZSA-N 422.934 4.370 30 40 HIEB O=C1N/C(=N/N=C/c2ccc(F)cc2)S[C@H]1Cc1ccc(SC(F)F)cc1 6472376 QHWJRJPFMQBEOP-GTQIFZCBSA-N 409.458 4.305 30 40 HIEB CC(C)c1c(C#N)c(N)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c12 13601135 FCFNONRHQJVINJ-UHFFFAOYSA-N 415.316 4.449 30 40 HIEB C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCO 16041554 JREAFELZSSHHGP-NAMDQGSHSA-N 403.563 4.246 30 40 HIEB biogenic O[C@@]1(c2ccc(OC(F)F)cc2)CS/C(=N/c2cccnc2)N1Cc1ccco1 18246041 LBDHNFPYMBLBSB-FIPQWBAWSA-N 417.437 4.358 30 40 HIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32095577 OTPKJODNXHPNLO-QHCPKHFHSA-N 418.884 4.395 30 40 HIEB CC(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1 35672733 HWVWLPMPMABMHV-JOCHJYFZSA-N 417.513 4.217 30 40 HIEB C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@@H]1CCc2ccccc21 89286298 IRWUUSSILSCYFM-OAQYLSRUSA-N 416.550 4.476 30 40 HIEB C=CCOc1ccc(/C=C2/N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)cc1 97987602 MEPSQNMALIYEID-LFIBNONCSA-N 401.365 4.206 30 40 HIEB CC(C)Oc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 408601133 IOMYFMPINSBSAD-JJIBRWJFSA-N 423.565 4.085 30 40 HIEB O=C(COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)N1CCOCC1 409229367 OAEMUWSZVZKTPS-NLRVBDNBSA-N 416.477 4.467 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)c(C#N)cc2c1 1354876 NMELPSMCSZZJCV-UHFFFAOYSA-N 405.479 4.439 30 40 HIEB Cc1nc2cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)ccc2n1-c1ccccc1 4289365 NXSUPWJIIADKPH-UHFFFAOYSA-N 410.433 4.001 30 40 HIEB O=C(/N=C1\SCC(=O)N1c1ccc(Br)cc1)c1ccc(Cl)cc1 4832307 RWTPTXOUKAZWBE-MNDPQUGUSA-N 409.692 4.379 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 9419032 VUDBYSIXTISYTI-BKUYFWCQSA-N 408.431 4.079 30 40 HIEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 9420547 GTWWYRGWLUFWRW-XACIZNRCSA-N 417.255 4.396 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccnc1 10231044 ODSOYIXWNQAHTO-ZDUSSCGKSA-N 422.539 4.255 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C 13569446 FBFOQXFDHJGAOE-FQEVSTJZSA-N 422.412 4.222 30 40 HIEB Cc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](C)CC1=O)N2 14608139 YNDWEJAJKNZPCF-WNSKOXEYSA-N 400.482 4.434 30 40 HIEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1 19820824 BXJDVJNOVXMYKY-UHFFFAOYSA-N 401.539 4.372 30 40 HIEB CCC[C@@H](C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32829257 FGYVZIDPHMFQSJ-AUUYWEPGSA-N 412.490 4.408 30 40 HIEB O=C(/C=C/N1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC(F)F)cc1 33796083 XIVIADOGZLSAQJ-MDZDMXLPSA-N 406.860 4.456 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/C23C4c5ccccc5[C@@H]2[C@@H]3c2ccccc24)cc1 44628585 COUAMXYFPQBXNB-QDIFWRCESA-N 400.503 4.286 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)n1ncc(C(=O)Nc3ccccc3)c1N2 44859092 DRQAYNYIQDSWOD-OAQYLSRUSA-N 402.429 4.297 30 40 HIEB COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 100539319 AQEXSXNFGRHZJX-QFIPXVFZSA-N 424.541 4.017 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803900 XYDZDLMUDOLCBJ-NHFXJNLRSA-N 404.422 4.008 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 102858642 WZQBOHJVNXODBF-SELCWUDQSA-N 420.292 4.452 30 40 HIEB Cc1nnc(S)n(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1=O 408820519 YFYHPULMTWTWNR-ZVBGSRNCSA-N 421.309 4.003 30 40 HIEB CN1CCc2c(sc(/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C#N)C1 409209673 HRGODLRTRKMDBT-BHGWPJFGSA-N 419.466 4.454 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 1815655 MAXDARDKZCEYFF-VJSYINPZSA-N 411.504 4.279 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1OC 6786779 YKDIIOPGLDFYDA-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1nonc1N2 12408473 HXCJKMHYFJPUII-DJJJIMSYSA-N 408.845 4.408 30 40 HIEB C=CCOc1c(OCC)cc(/C=C/C(=O)O)c(Br)c1Br 22077369 WLVQCCRSJYXCHC-AATRIKPKSA-N 406.070 4.273 30 40 HIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(Cl)c1)OCCO3 35289055 PGWWGIKNDFPENG-UHFFFAOYSA-N 411.870 4.262 30 40 HIEB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)S(=O)(=O)c1cccc(C#N)c1 40030868 QHYWKAJKEGESJK-KRWDZBQOSA-N 416.506 4.279 30 40 HIEB Cn1c([C@@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 40089613 ISZDQCXYHIKIJT-RBBKRZOGSA-N 422.488 4.311 30 40 HIEB CCCOc1cccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 102727011 MCOJDESBGMRDBM-LFVOPCPISA-N 424.478 4.460 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1)S(C)(=O)=O 260830850 IMKNLTQHAGFXBN-QGZVFWFLSA-N 412.555 4.008 30 40 HIEB COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1Cl 408783038 MIQXZKBSRIPNBO-WSDLNYQXSA-N 418.902 4.479 30 40 HIEB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCC#N 409053279 NYHRDVYVKDRFRY-UNOMPAQXSA-N 410.520 4.307 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC 816008 ROLUPHGWBLRRPN-HSZRJFAPSA-N 424.541 4.074 30 40 HIEB CCOC(=O)c1ccc(N/N=C/c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 4063120 OJRXWPNSYMKVBF-HZHRSRAPSA-N 410.474 4.454 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F 4814719 ZBGDGEIPOOOCFA-UHFFFAOYSA-N 403.508 4.074 30 40 HIEB COc1ccc(OC)c(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849092 MGTYZEXDHOOJHU-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265786 RDKQEVFOKHOGDK-OAQYLSRUSA-N 418.449 4.337 30 40 HIEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccco2)s1 13692226 WRTQIDNBTWSNDQ-CYBMUJFWSA-N 401.469 4.099 30 40 HIEB C=CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 17092018 BCNBFXSPLFMQRO-WQRHYEAKSA-N 419.868 4.456 30 40 HIEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2OC)c1C 20762528 AZPCVAQWYQOAHD-WGOQTCKBSA-N 405.498 4.403 30 40 HIEB COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1cccc(Br)c1 32930978 XPPAFEWISYQKNY-CQSZACIVSA-N 417.303 4.366 30 40 HIEB COc1cc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1O 100008724 LOUBSQZNMGONGE-FQEVSTJZSA-N 414.498 4.260 30 40 HIEB CCCOc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 102727014 MCOJDESBGMRDBM-WOOAAIBNSA-N 424.478 4.460 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1 102768209 HPYXJYJECHFNPV-WXFUMESZSA-N 423.472 4.226 30 40 HIEB COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC 794750 FBPXJIMGABNPIR-UHFFFAOYSA-N 413.861 4.450 30 40 HIEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(C(C)C)cc2)cc1OC 902880 GCOCNAIABHBUQO-QHCPKHFHSA-N 423.509 4.354 30 40 HIEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1OC)C1=C(CC(C)(C)CC1=O)N2 4436377 DDHOUEZMCXHYSD-GOSISDBHSA-N 414.531 4.065 30 40 HIEB O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1)c1ccccc1 4603557 OSNPMXKBJUXWHT-CIAFOILYSA-N 406.354 4.212 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)c(O)c2)cc1 8990598 PLQJFVNSYFKONA-OYHNWAKOSA-N 418.449 4.361 30 40 HIEB COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccccc2)cc1 13575173 FOLOLNAGSIZBFH-HXUWFJFHSA-N 424.460 4.331 30 40 HIEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 20611162 LOEXTUMFTKFTCW-FMCGGJTJSA-N 415.445 4.369 30 40 HIEB biogenic CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635471 GWFYIKQVVPSRJA-IBGZPJMESA-N 403.530 4.176 30 40 HIEB CCCC/N=C1/S[C@@H](C(=O)Nc2cccc(OCC)c2)CC(=O)N1CCCC 101515814 LMDWLXQXNHCMMB-KHOFPDMRSA-N 405.564 4.314 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3O)S2)cc1 408766320 UHCOFGPKHUBUCT-DHDCSXOGSA-N 405.273 4.055 30 40 HIEB CCc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccc(C)cc1 409139704 DJSMICMZEFDHRN-UHFFFAOYSA-N 411.461 4.369 30 40 HIEB Cc1ccc(-c2[nH]nc(NC(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c2C)o1 1680026439 LELOXNHVTQKUGZ-UHFFFAOYSA-N 401.430 4.047 30 40 HIEB Cc1cccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)c1 6918527 LADGMPOHRPDFDK-UHFFFAOYSA-N 403.463 4.202 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1F 16732944 JIKLXRPYHODEAT-OAQYLSRUSA-N 418.424 4.013 30 40 HIEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1 17044766 HLLKFWDJJPPZKA-JOCHJYFZSA-N 422.525 4.004 30 40 HIEB CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 20573513 OLZJHYLHYYAMEX-OXJNMPFZSA-N 422.506 4.222 30 40 HIEB COc1ccc(NC(=O)CO/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1 32936829 JQWBHAZRVYFROH-WPWMEQJKSA-N 417.465 4.327 30 40 HIEB C=CCN(C(=O)CSc1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 32966766 AJDABASQBWXJNR-UHFFFAOYSA-N 402.541 4.104 30 40 HIEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C#N 225771031 KOJNUNNUPSTXHR-UHFFFAOYSA-N 423.469 4.332 30 40 HIEB CCOC(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C 6046996 SVMVAKWRXQHARC-UHFFFAOYSA-N 404.316 4.053 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 9363588 IXLXNCBPWURRHA-LJQANCHMSA-N 422.368 4.105 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccc(O)cc45)[C@H]3C[C@@H]12 4045419 SYOZIQWKUALTLK-LFXAKYLNSA-N 408.542 4.320 30 40 HIEB biogenic C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 5382843 JZANFEYNTVTVDL-UHFFFAOYSA-N 414.918 4.427 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Br)s1 408796787 PXDLLNSZFBDEQU-HNNXBMFYSA-N 416.296 4.252 30 40 HIEB CN(C)c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 4915905 ADGYLAQWKIOZTP-CJLVFECKSA-N 418.518 4.181 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@H]4CCCc5ccccc54)CC3=O)n2)cc1 8992163 FQZKHPGECNLYPP-FQEVSTJZSA-N 417.534 4.408 30 40 HIEB C=CCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1C1CCCCC1 8394727 RNKGVMMQSWESET-UHFFFAOYSA-N 401.561 4.182 30 40 HIEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408859349 WCCIYSLKIGVYHO-JJFYIABZSA-N 407.382 4.149 30 40 HIEB N#Cc1ccc(COCC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cc1 77099686 GDFFHFDIUFHGCA-UHFFFAOYSA-N 418.537 4.062 30 40 HIEB Cc1ccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)cc1 9664118 POMYQHNXXWIFSE-UHFFFAOYSA-N 403.463 4.202 30 40 HIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1 4065857 YZCVORKVAHYZAI-QFIPXVFZSA-N 411.498 4.181 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2Cl)cc1 5446072 AGEZSNCWLWIBNV-JXFKEZNVSA-N 411.885 4.406 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 6606107 MMPBPQAQRLFWFE-AWEZNQCLSA-N 410.476 4.106 30 40 HIEB C[C@@H](NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1)c1ccccc1 15859831 YUTBSNGEKLSJCZ-CYBMUJFWSA-N 424.913 4.344 30 40 HIEB N#Cc1c(/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc2c1CCCC2 16429479 BNPOHAQSUWIDMZ-FSJBWODESA-N 411.508 4.157 30 40 HIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 40288057 SXFPEJWRKIBECI-VBKZILBWSA-N 406.417 4.197 30 40 HIEB CSc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 59514525 MQUYQEFKVRPGJA-PXLXIMEGSA-N 405.531 4.383 30 40 HIEB COc1cccc(/C=N/c2ccc(-c3nn4c(C(F)(F)F)nnc4s3)cc2)c1O 95471417 IXBPJTDKDLLWCR-LSFURLLWSA-N 419.388 4.336 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408899635 PPHHWRLNWGRRHP-PXLXIMEGSA-N 424.456 4.135 30 40 HIEB Cc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C 409289711 ONPLKZFPKMLHRX-UHFFFAOYSA-N 415.335 4.294 30 40 HIEB Cc1ccc(CNC(=O)CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1 662285 WFQOARUVCQZPCI-UHFFFAOYSA-N 417.490 4.066 30 40 HIEB C=CCNC(=O)c1c(N)n(/N=C/c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2396745 GBYMGNWIHFCHQU-MZJWZYIUSA-N 412.497 4.088 30 40 HIEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4118335 CUHFJFYZJUXTLF-QQDOKKFESA-N 417.373 4.439 30 40 HIEB C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 9236571 GGBGMMWAKBIUCF-GXDHUFHOSA-N 412.305 4.469 30 40 HIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1OCc1ccccc1 12347108 LVXQFWIGKUUWOF-FQEVSTJZSA-N 417.465 4.267 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC 21975605 ALRLCSNGZXYZGZ-PKHIPVCBSA-N 420.509 4.151 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1 24672003 AVWVQVZGMPJXSA-QFIPXVFZSA-N 416.562 4.272 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2cc(C)ccc21 32103216 OLYQMLNBYKLZDH-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB Cc1ccc(-n2ncc([C@@H](C)NC(=O)CCc3c(C)nn(CCC#N)c3C)c2C)cc1 32827390 NHQMATHFVZANCX-QGZVFWFLSA-N 418.545 4.026 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc3C2)n(Cc2cccs2)c1C 36450989 VNAZXVLLETYECC-UHFFFAOYSA-N 404.539 4.083 30 40 HIEB C=CC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 67665372 PHAXMMMKRGSDIV-CROHETRMSA-N 416.558 4.362 30 40 HIEB in-vitro COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 102802989 MQQDJCAHHZTWOH-MOBKVPTQSA-N 423.509 4.098 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1ccccc1Cl 263631156 IVVWLDYTZQJKJZ-LATRNWQMSA-N 406.869 4.060 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)n1-c1ccccc1Cl 408587341 FNHULKPDXACODG-AJPRLUCXSA-N 407.901 4.279 30 40 HIEB COc1cc(/C=N/O)cc(I)c1OCc1cc(C)cc(C)c1 408935970 FJODGRWNLJVOII-DJKKODMXSA-N 411.239 4.304 30 40 HIEB N#Cc1ccccc1COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409244219 ZSMBXYNJTQECAA-HYARGMPZSA-N 409.445 4.230 30 40 HIEB Cc1ccc(S(=O)(=O)NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1 1576728 TVWPFJFCCRUDKX-UHFFFAOYSA-N 419.553 4.047 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(Cc4ccccc4)nc13)O2 5345870 SLEWNRMQFKCZPP-NRFANRHFSA-N 408.461 4.247 30 40 HIEB COCCn1c(C)cc(/C=N/NC(=S)Nc2ccc(SC(F)F)cc2)c1C 5636980 PCZBIEZAVFTVMD-SRZZPIQSSA-N 412.531 4.387 30 40 HIEB CCSC1=N/C(=C\c2cc(Br)c(OC(C)=O)c(OC)c2)C(=O)S1 9804806 VLWXEOWHUKNWIS-WDZFZDKYSA-N 416.318 4.106 30 40 HIEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 12871254 VXEXRMPPXDSODG-SFHVURJKSA-N 404.491 4.232 30 40 HIEB C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc3c(c2c1=O)CCC3 12898062 RQQVXDTYKWUOBF-UHFFFAOYSA-N 402.545 4.007 30 40 HIEB CN(C)S(=O)(=O)c1cccc(N/C(S)=N/c2ccc(Cl)cc2Cl)c1 13468755 GGYFZBMGKLTGJM-UHFFFAOYSA-N 404.344 4.273 30 40 HIEB CC1(C)CC(=O)C(=CNc2cccc(N[C@@H]3CC(C)(C)CC(=O)[C@H]3C#N)c2)C(=O)C1 20095856 ONHHGCWTLSCVFB-PKOBYXMFSA-N 407.514 4.250 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 20171650 XSIAGSINYIVIFR-GOSISDBHSA-N 418.946 4.322 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 40286808 TZBITADCRBXVEH-JLTOFOAXSA-N 406.417 4.197 30 40 HIEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650444 DBCYTZCTMDJRDG-QKDOTCOFSA-N 405.882 4.378 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)no1 102369071 NCZKNMIUARZGOB-JBCNATCCSA-N 418.449 4.397 30 40 HIEB C/N=C1/S[C@@H](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C 105789712 BNALVGMWEZEOLQ-SIUCFOQUSA-N 424.551 4.160 30 40 HIEB CON=C(C(=O)OC)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1 299848382 ONCZDRURRATYFI-UHFFFAOYSA-N 408.376 4.170 30 40 HIEB C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(C)cc1 409329664 HFUILPBYOVNMIU-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB COc1cc(/C=N/N2C(=O)CSC2=S)cc(Cl)c1OCc1ccccc1 409333506 SMOXHWQFOXQHLI-AWQFTUOYSA-N 406.916 4.122 30 40 HIEB N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cccc4[nH]ccc34)n2)s1 585293273 DSFOUCZPDOZZOG-HXUWFJFHSA-N 400.511 4.972 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)nnc1-c1ccncc1 1225120 VBLIHXRCHWTRGC-HNNXBMFYSA-N 423.517 4.125 30 40 HIEB CCOC(=O)C1=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C(=O)C1=O 2077692 ICUXIVRRUNDRNH-UHFFFAOYSA-N 412.445 4.125 30 40 HIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2198734 MAQTYAAFBKIRHI-UHFFFAOYSA-N 411.465 4.041 30 40 HIEB N#Cc1cccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1 3235691 ZKEIMYPQAINNRE-UHFFFAOYSA-N 413.458 4.377 30 40 HIEB aggregator COc1cc(/C=N/Nc2cc(C(=O)O)ccc2Cl)ccc1OC(=O)c1ccco1 4933261 SVBNXGQXGUGSMQ-SSDVNMTOSA-N 414.801 4.305 30 40 HIEB C=CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccccc1OC 5131472 AGLCGVXUMBXRMJ-UHFFFAOYSA-N 422.554 4.199 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 5800694 JEQUSEKGDKYUOT-QGZVFWFLSA-N 409.442 4.077 30 40 HIEB CC(C)c1ccc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N\C2CC2)cc1 13095890 AJCBUPHAEPPBGH-KZHFWBEPSA-N 420.538 4.090 30 40 HIEB N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2cccs2)c1 14228333 MPFJKVFDLASEJU-UHFFFAOYSA-N 421.547 4.323 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 16946441 LBCWZIMQKJWBFB-NRFANRHFSA-N 403.434 4.375 30 40 HIEB CCN(CC)c1ccc(/C=N\NC(=S)N/N=C\c2ccc(N(CC)CC)cc2)cc1 33731159 VUDOPSLDLNMJFU-FXKBRRNPSA-N 424.618 4.211 30 40 HIEB COc1ccc(N2C(=O)[C@@H](Oc3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 48324972 IBWJODXSBJOKOW-GOTSBHOMSA-N 400.434 4.111 30 40 HIEB CCOC(=O)[C@](C)(F)OC(F)(F)[C@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F 100523278 QCMMOZMMCFWTBJ-RNFRBKRXSA-N 416.183 4.337 30 40 HIEB Cc1ccc(/N=C2\C(=O)N(CN3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1 100998621 RIUMNMOQHOOPAP-SGEDCAFJSA-N 424.548 4.238 30 40 HIEB COc1cc(N2N=C(C)/C(=C\Nc3sc4c(c3C#N)CCC4)C2=O)ccc1Cl 101128472 IZDHMYUAUXKRLF-XNTDXEJSSA-N 412.902 4.489 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 102798988 VJQWJYGJIVJGNI-GHNGSUTGSA-N 424.453 4.307 30 40 HIEB COc1ccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1 408575268 IPRZOVYYJTVTLG-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c2ccccc21 408773614 RWSFCIFWAZDDSW-JAIQZWGSSA-N 419.506 4.323 30 40 HIEB Cc1cc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc([N+](=O)[O-])c1C 408856069 HZHGYMXBCOOAMV-GRSHGNNSSA-N 408.252 4.154 30 40 HIEB COc1cccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c1 409286998 RUJHDCASJQEHQD-UHFFFAOYSA-N 400.276 4.173 30 40 HIEB Cc1ccccc1-n1cccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409306309 OWLIFFWUPXCGAX-UHFFFAOYSA-N 421.298 4.449 30 40 HIEB N#Cc1cc(Br)cnc1N1CCC(c2noc3cc(F)ccc23)CC1 1163428789 YUKBPYKQEDYXLG-UHFFFAOYSA-N 401.239 4.380 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 2055203 KFSWIPOLTPWBCN-NRFANRHFSA-N 411.498 4.175 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccccc2O)cc1Cn1nc(C)c([N+](=O)[O-])c1C 4652046 OSOYNAJDOICEPU-CSKARUKUSA-N 407.426 4.067 30 40 HIEB CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(C)c(C)c1 4682468 LDQLEPPUXQNBJO-ZPKJPUMHSA-N 409.555 4.004 30 40 HIEB C[C@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 9440198 QZOHBUVSKNETHK-CYBMUJFWSA-N 423.266 4.028 30 40 HIEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 12418447 SZLFPVCGOYAKSF-UHFFFAOYSA-N 422.510 4.026 30 40 HIEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2O)ccc1Oc1ccc([N+](=O)[O-])cn1 16215006 YGSCZHCQIYUULD-KEBDBYFISA-N 410.342 4.155 30 40 HIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(C#N)cc2)c(OC)c1 20763000 TWXZMBKYIIZIJA-CVKSISIWSA-N 401.466 4.278 30 40 HIEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(O)cc2)cc1 44858669 FLKPLNDSBKZJOB-QFIPXVFZSA-N 414.465 4.171 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 408616280 FUCGBBKBQQZYFO-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB C#CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409036246 BDTACYDLGHEIQM-GYRAYZOKSA-N 420.712 4.465 30 40 HIEB CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc2c(c1)OCO2 3274901 SKGYKYSJVDTTBQ-VRHKGWOZSA-N 417.437 4.350 30 40 HIEB C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5428719 NPTAQSPLJREXGT-UHFFFAOYSA-N 410.470 4.031 30 40 HIEB N#CCCN(C(=O)CSc1nc(/C=C/c2ccccc2)n[nH]1)c1ccc(F)cc1 12834808 LYIBNBBSOOFKOO-KPKJPENVSA-N 407.474 4.153 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1 20663815 ACCVNZQZECEMDO-IBGZPJMESA-N 410.495 4.024 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 32682588 KOTLMTAXOIOGPQ-NRFANRHFSA-N 420.538 4.357 30 40 HIEB S=C(NCc1ccccc1)N/N=C\c1ccc(OCCOc2ccccc2)cc1 33678891 CRSNXISKHSIFMT-BWAHOGKJSA-N 405.523 4.143 30 40 HIEB Cc1oc(-c2nc(C#N)c(NC(C)(C)C)o2)cc1S(=O)(=O)N(C)c1ccccc1 40284839 HCXCENPKAMYXRQ-UHFFFAOYSA-N 414.487 4.150 30 40 HIEB CN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)SC1=Nc1ccccc1 409098237 OVHQHWSKPZSFJC-NPPZMEKISA-N 403.463 4.409 30 40 HIEB O=c1c2ccccc2ncn1/N=C/c1cn(CCOc2ccccc2)c2ccccc12 409214748 YMQDLNQLQVBXCZ-JVWAILMASA-N 408.461 4.312 30 40 HIEB Fc1ccc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)c(Cl)c1 2790301 VOGYUGFNXMOPAQ-CGOBSMCZSA-N 402.785 4.351 30 40 HIEB Cn1ncc(/N=C/c2ccccc2OCc2ccccc2)c1C(=O)NCc1ccco1 2797747 GTTRUIAZDBNCIR-AFUMVMLFSA-N 414.465 4.273 30 40 HIEB N#Cc1ccc(CSc2ccccc2C(=O)OCc2cn3cccnc3n2)cc1 8719736 OSYJOJBYHYOQBG-UHFFFAOYSA-N 400.463 4.250 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)cc1 25665280 BUDAJKSMEBSMDY-UHFFFAOYSA-N 409.533 4.301 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N[C@H](C)C(C)C)cc1 32828936 IRAUCLBUVJSYKU-UZLBHIALSA-N 408.527 4.433 30 40 HIEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccc(OC)cc12 34064560 OEVKPBVITQHUKQ-YXVKNGOVSA-N 415.557 4.114 30 40 HIEB CN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S/C1=N/c1ccc(C(=O)O)cc1 97464863 ZRSNAOWHWVYHIJ-CYEOZNNUSA-N 416.842 4.001 30 40 HIEB COc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1O 100003698 OHGUZBCLDFOJCT-FQEVSTJZSA-N 414.498 4.260 30 40 HIEB biogenic C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 103356492 MMURDXBMNQFPOY-ZQIUZPCESA-N 419.978 4.269 30 40 HIEB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 4273168 RAVFWLLVEPRLME-UHFFFAOYSA-N 400.463 4.419 30 40 HIEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1ccccc1F 13655449 UAYYSDFBVLIACQ-UHFFFAOYSA-N 413.905 4.357 30 40 HIEB CCn1c(C)cc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1C 13881301 LHTBWDPWZLLQFH-YACCPEJUSA-N 424.570 4.195 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 19999125 UDFVUQDJGNNYNI-JOCHJYFZSA-N 421.541 4.009 30 40 HIEB CCc1ccc(NC(=S)NCCNc2nc3ccc(OC)cc3cc2C#N)cc1 35312344 MUZCRUHFBYUYAT-UHFFFAOYSA-N 405.527 4.076 30 40 HIEB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)c1nc(C#N)c(C#N)nc12 100198466 UHCNCMWTVUSMPA-ZUOKHONESA-N 411.387 4.032 30 40 HIEB Cc1ccc(NC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 100547552 XYTTUUGZACDZAR-NKFKGCMQSA-N 408.504 4.427 30 40 HIEB aggregator O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3nc(O)c4ccccc4n3)cc2)cc1 408731132 JCVMNEWKBQTLAQ-YDZHTSKRSA-N 415.409 4.269 30 40 HIEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1Cc1ccccc1 2624482 CVBBGFSDFHNXNH-UHFFFAOYSA-N 423.567 4.178 30 40 HIEB COc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nc3ccccc32)cc1 6566934 DAXFEODWNMNWLK-JOCHJYFZSA-N 408.527 4.181 30 40 HIEB CCOc1cc(C#N)ccc1OCc1nc(-c2ccc(Br)cc2)no1 9668569 ZMFJHTYCWMPEAA-UHFFFAOYSA-N 400.232 4.348 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc(OC)c1OC 19130479 COQVSAAWRWLXMX-AZUAARDMSA-N 404.514 4.045 30 40 HIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1OC 100765829 KVLXBFSMPVASJF-FGZHOGPDSA-N 423.553 4.456 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(O)cc2)sc1C 102882258 OBXQCCZEOBFNBV-GHNGSUTGSA-N 406.463 4.092 30 40 HIEB Cc1oc(C)c2c1C(=O)c1ccccc1/C2=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103903919 AZSIHQAARLFSAL-ZBJSNUHESA-N 406.354 4.122 30 40 HIEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 226662912 WWRXLKKVHLBDIO-PCMPNNBHSA-N 421.500 4.077 30 40 HIEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 408744185 ZAYNZSBCFHZIIO-ZSOIEALJSA-N 404.245 4.249 30 40 HIEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1O 671069 TYDJMJUODVUUFZ-LPYMAVHISA-N 400.431 4.091 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccccc1F 2625687 XQQXBYHHZLPIAI-RLFYNMQTSA-N 402.539 4.303 30 40 HIEB O=C1/C(=C\c2ccccc2)CN(C(=O)CCN2CCCC2)C/C1=C/c1ccccc1 3593831 MQKOVQRHVUBDFD-BOYKQRMESA-N 400.522 4.051 30 40 HIEB N#C/C(=N/Nc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 4481130 RGILKGMGARDUCH-ZHZULCJRSA-N 407.065 4.386 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 6784120 SNLJQIFKDLDHJB-OAQYLSRUSA-N 418.449 4.160 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)ccc1OC(F)F 7712985 BYXOLXBGQVVBJE-VZUCSPMQSA-N 419.424 4.050 30 40 HIEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(I)cc1 8735754 WKUMQJHLVWDNDJ-RMKNXTFCSA-N 424.234 4.213 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 9435216 AEYGVHLAXGJCJP-LJQANCHMSA-N 422.368 4.105 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(OC)cc2)cc1 16741317 HWBLHMLUBPOWJX-OAQYLSRUSA-N 405.450 4.024 30 40 HIEB Cc1nc(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(C#N)c(C)c1C 23223940 PAWXMEIQCRBGJH-UHFFFAOYSA-N 405.470 4.231 30 40 HIEB C=CCN1c2ccc(C(=O)NC(C(C)C)C(C)C)cc2-c2ccccc2S1(=O)=O 33271914 RYJDFINJHNPNCG-UHFFFAOYSA-N 412.555 4.459 30 40 HIEB Cc1sc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)c(C#N)c1C 35288663 HJLIXBYGWVGREH-UHFFFAOYSA-N 422.491 4.116 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2cc1C 35313850 WAJBUQWSELVHDE-UHFFFAOYSA-N 420.463 4.354 30 40 HIEB CCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OCC(C)C)c(OC)c1 58209678 ORBGLSQUJGUZOK-UHFFFAOYSA-N 409.530 4.452 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(O)cc2)cc1 104084273 ZSMWGFYZBVDXDU-MRJHHRETSA-N 401.418 4.027 30 40 HIEB CC(C)COc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1Br 408605172 XEVGWTNUPRJJOU-WSDLNYQXSA-N 420.376 4.482 30 40 HIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409082360 SIEFJWJBPGPCAD-NDENLUEZSA-N 421.449 4.407 30 40 HIEB C=CC[n+]1c(-c2ccccc2)csc1Nc1ccc(NC(=O)CCC(=O)O)cc1 5807882 ZWFJABXRNTVYNK-UHFFFAOYSA-O 408.503 4.436 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 6445157 QSDXAVGBDSDYLS-FQEVSTJZSA-N 420.852 4.219 30 40 HIEB N#Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 6760753 BCMKDWHKBXMDHP-HOCLYGCPSA-N 401.348 4.260 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063317 OIAYSHUFRAMUSV-UHFFFAOYSA-N 411.933 4.107 30 40 HIEB COc1ccc2nc(NC(=O)C(=O)[C@H](C#N)c3ccc(Cl)c(Cl)c3)sc2c1 17189787 ZHAWBQJIDJILLG-LLVKDONJSA-N 420.277 4.427 30 40 HIEB CSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 22608394 HWNNVSFVJOJAPH-PSLIRLAXSA-N 405.321 4.031 30 40 HIEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(C)(=O)=O)ccc1Cl 36774027 QATHGWWWRHBQBJ-UHFFFAOYSA-N 404.340 4.287 30 40 HIEB O=C(n1nc(C(F)(F)F)cc1C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95682120 FOAVVDVUDUVSPN-UHFFFAOYSA-N 400.094 4.394 30 40 HIEB O=C1/C(=C2\Nc3cc(Br)ccc3C2=O)Nc2cc(Br)ccc21 100031287 ZVAPIIDBWWULJN-BUHFOSPRSA-N 420.060 4.340 30 40 HIEB in-vitro O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102539771 NBMVUNVOHNINAH-NHFXJNLRSA-N 418.380 4.360 30 40 HIEB CCc1cccc(CC)c1NC(=O)[C@H](C#N)C1=C(Cl)C(=O)c2ccccc2C1=O 1624014 CEPOONXTYNXFSS-QGZVFWFLSA-N 406.869 4.462 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)c1 8022274 FCAZPPUXKYBATJ-OAQYLSRUSA-N 409.482 4.089 30 40 HIEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 8026187 IAZHZJYNNABDKG-LJQANCHMSA-N 423.538 4.187 30 40 HIEB C=CCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)c2ccccc2F)c2ccccc21 10157829 SSGVMTIOHYHHJC-VWLOTQADSA-N 414.436 4.388 30 40 HIEB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 12070145 OYAXEXXKUSRBBV-CQSZACIVSA-N 416.568 4.108 30 40 HIEB Cc1nc(C)c(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)[nH]1 12791105 SOTXJNFYAYNCQC-ZHACJKMWSA-N 416.506 4.256 30 40 HIEB Cc1cccc(N/C(S)=N/[C@@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)c1C 22941962 JRDUGQVKIFYYIE-PXNSSMCTSA-N 402.633 4.440 30 40 HIEB CC(C)N(C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1)C(=O)OC(C)(C)C 40152829 DMOKNJGDXMOQEK-MRXNPFEDSA-N 402.495 4.328 30 40 HIEB COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c(Br)cc1O 63556703 OVILUROYSWXSHX-AATRIKPKSA-N 418.243 4.016 30 40 HIEB Cn1c([C@H](C#N)/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 101511856 ALZRXBMWITZQOA-CLXZYQIKSA-N 420.519 4.120 30 40 HIEB O=C1CSC(=S)N1/N=C/c1cc(Br)ccc1OCc1ccccc1 409345948 LWDVGPMSLQKBMG-DJKKODMXSA-N 421.341 4.222 30 40 HIEB COc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 8277433 IYEKVAHYYLLVMS-CXUHLZMHSA-N 403.847 4.457 30 40 HIEB N#Cc1ccc(CN2CCN(c3ccnc4ccc(Br)cc34)CC2)cc1 58208494 VBOMNKIYDSPRDH-UHFFFAOYSA-N 407.315 4.191 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 58823369 WXUIOVSTGWOBOB-SFQUDFHCSA-N 412.829 4.420 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@H]12 61997013 FZFNSVTYWBAPRB-MAMHGHJKSA-N 412.549 4.262 30 40 HIEB biogenic N#Cc1c(/N=C/c2cc(Br)ccc2OCCO)sc2c1CCCC2 408719792 SEKDFDCVRGZUJN-SRZZPIQSSA-N 405.317 4.383 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)O)c1 409073605 WILURRLFTHPZRU-UHFFFAOYSA-N 423.509 4.123 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409134494 VUHWXORJUWLIIL-LICLKQGHSA-N 416.836 4.145 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1 409332953 SRHMDOFMLSDPRV-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 2292649 PUUJKIWKEQOHGJ-OTWHNJEPSA-N 407.562 4.416 30 40 HIEB COc1cc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)ccc1OCC#N 2662096 UFPRYLPMHBPJED-CSKARUKUSA-N 406.463 4.478 30 40 HIEB COc1ccc(C(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4085555 CMBGPKUWBUDMMJ-QMWCZEAPSA-N 413.386 4.382 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OC 4857316 MOQNBUBSZRUUDT-ZHZULCJRSA-N 419.477 4.133 30 40 HIEB N#CCCN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1F 6625511 DNRBXIOYZKFRHQ-SFHVURJKSA-N 407.474 4.239 30 40 HIEB C/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2c(c1)OCO2 7989774 BQTFLYXGXQLQBR-CGOBSMCZSA-N 402.621 4.305 30 40 HIEB N#Cc1c(CCCNc2ncnc3c2oc2ccccc23)nn(-c2ccccc2)c1N 23171980 LUGAYDRIYKHPCW-UHFFFAOYSA-N 409.453 4.060 30 40 HIEB CCCCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828653 FRDRRYWOBDUAPG-IBGZPJMESA-N 412.490 4.410 30 40 HIEB COc1ccc([C@@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 101262427 LEDNGVMKAKHNRV-CQSZACIVSA-N 407.472 4.016 30 40 HIEB CCN(CC)c1ccc(/C=N\N2C(=O)CSC2=S)c(OCc2ccccc2)c1 409334773 XOPUANBVQRUTAX-XKZIYDEJSA-N 413.568 4.306 30 40 HIEB CC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C(C)(C)N1 1308158 UANOLKAQSNVPJC-UHFFFAOYSA-N 403.935 4.450 30 40 HIEB C[C@@H]1CC(C(=O)O)(C(=O)O)C[C@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2379364 ZRDCDISSPANBPT-RITPCOANSA-N 404.225 4.046 30 40 HIEB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc2c1 5264984 PXXWXHKTFBTRSN-UHFFFAOYSA-N 400.463 4.419 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccs1 6813688 JYCWIIPBAILXSI-SJCJKPOMSA-N 403.887 4.159 30 40 HIEB N#Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(Br)cc1 7649116 MPWUGAADECXBDU-JXMROGBWSA-N 401.329 4.384 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@H]2c1cccnc1 9348563 QOGZUGWXCYPMBO-IBGZPJMESA-N 423.476 4.354 30 40 HIEB Cc1ccc(C(=O)N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)cc1 12418371 OFFPDIUONSRCNX-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1F 13719672 JZASITOVKGAPJB-IBGZPJMESA-N 424.453 4.069 30 40 HIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] 17089946 UHLPWXGMROIAPN-SNVBAGLBSA-N 414.512 4.088 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)Cc4ccccc4)sc3C)cc21 19820223 SPPBCOYSMITYIU-UHFFFAOYSA-N 419.506 4.211 30 40 HIEB O=C1/C(=N/Nc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1ccccc1 100355111 ZOCNVIKLRSHGLH-DHRITJCHSA-N 400.282 4.438 30 40 HIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225073251 RSBGNUXXHOOHPG-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB C[C@H](Oc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1)C(=O)O 409308964 ZRAJKKXWKRJXHP-INIZCTEOSA-N 419.481 4.178 30 40 HIEB CN1CCN(/N=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 4933386 WKSRGCPTKOPSBC-ZXVVBBHZSA-N 415.537 4.426 30 40 HIEB C=CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 8917382 WUSPLGKJIBAMSU-UHFFFAOYSA-N 423.947 4.387 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 18199755 CWDCOANPEPCYPJ-IIBYNOLFSA-N 424.460 4.112 30 40 HIEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(C#N)cc3)c2)cc1OC 20196394 DGQXPBZILOXHDR-CVKSISIWSA-N 401.466 4.278 30 40 HIEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)cc3[N+](=O)[O-])c2C)cc1OC 20196728 BRXSYTZCJFXDAB-AFUMVMLFSA-N 422.485 4.452 30 40 HIEB COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC1CCCC1 20719646 DFRBBQXYXNIOAR-SFHVURJKSA-N 418.445 4.380 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 408731440 MOPCOQHTRKJYFC-QFIPXVFZSA-N 414.486 4.228 30 40 HIEB COc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1OC(C)=O 409286852 XBYAXSHLTRQHAU-UHFFFAOYSA-N 419.481 4.260 30 40 HIEB Cc1nnc(SC/C(O)=N/c2cc(Cl)ccc2Cl)n1C[C@H]1CCCO1 887438 NANDUHLNTPDWFG-GFCCVEGCSA-N 401.319 4.453 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F 1438560 IMICYJXCLONDQP-NPMXOYFQSA-N 421.468 4.369 30 40 HIEB CCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 2317261 FMIOJHDIRCHBMF-UHFFFAOYSA-N 420.966 4.339 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC 4119623 YOVHEWKELBMXQL-NFBKMPQASA-N 410.466 4.032 30 40 HIEB O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 7141236 CEOAFBWTMIIQGQ-SDNWHVSQSA-N 414.483 4.056 30 40 HIEB N#Cc1cccc(NC(=O)c2ccc3c(=O)n(-c4ccc(F)cc4)c(=S)[nH]c3c2)c1 11372149 APORJXBIFVSSLG-UHFFFAOYSA-N 416.437 4.311 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1 14133293 HKECMCIJQUAJTC-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCOc1ccc(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19550202 CSPDGJOGJJSURP-QHCPKHFHSA-N 422.456 4.161 30 40 HIEB C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CC1 28220787 ZGSNZPKMVOPBPL-UHFFFAOYSA-N 413.572 4.274 30 40 HIEB N#Cc1cc(Cl)ccc1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 33635241 HTPRLSJFRQWOGZ-UHFFFAOYSA-N 418.906 4.030 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 35289741 MAGBDCPTHPTNKN-UHFFFAOYSA-N 421.478 4.007 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cnn(CC)c1 36631354 TZNHYFGUSSIGPF-UHFFFAOYSA-N 410.547 4.202 30 40 HIEB C=CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1ccccc12 104787059 YOVMCENUDKGZSL-QTEQDKRBSA-N 408.523 4.139 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 169690739 NYERNECKBAKABG-WSUZCMKOSA-N 409.489 4.221 30 40 HIEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1Oc1ccc([N+](=O)[O-])cn1 408595182 LAKQRESUWYAFDC-WYMPLXKRSA-N 404.382 4.213 30 40 HIEB NC(=O)c1c(/N=C/c2cccc(I)c2)sc2c1CCCC2 408722957 YIFDLYFJVBAINW-DJKKODMXSA-N 410.280 4.081 30 40 HIEB O=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1cc(Cl)c(Cl)cc1Cl 1657208 CVECOZAJZRETHT-NGYBGAFCSA-N 414.097 4.318 30 40 HIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 2355467 CEJYWJSEJHZTLS-WTLZDUFCSA-N 411.527 4.256 30 40 HIEB CCOC(=O)c1ccc(N/N=C(\C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 4519735 ZVKKEISGJPZBOQ-YBFXNURJSA-N 406.236 4.370 30 40 HIEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3OC)NC2=O)cc1OC 5376540 ZIZPAIBTFQCABS-ODLFYWEKSA-N 414.483 4.003 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1F 6025314 MPXXBBAHXNFOIV-FQEVSTJZSA-N 407.397 4.211 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 13573709 HMSCSTOSXXMFCX-QNGOZBTKSA-N 419.458 4.107 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCC)cc1 16737279 JCJJQRCXQWDMSX-NRFANRHFSA-N 407.466 4.248 30 40 HIEB Cc1c2c(cc3c1O/C(=C/c1ccc(F)cc1)C3=O)CN(Cc1ccncc1)CO2 57165077 NUVJOKFWUMFSJE-UFFVCSGVSA-N 402.425 4.497 30 40 HIEB CCc1cccc(C)c1NC(=O)CO/N=C(\N)c1ccccc1OCc1ccccc1 58054324 PQPFDNAZYQNUTR-UHFFFAOYSA-N 417.509 4.412 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)c(OC)c1 726476 MENSXWIBVPEJIZ-NRFANRHFSA-N 413.514 4.261 30 40 HIEB CC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1 1029954 OOPGCINBTUTVLL-QGMBQPNBSA-N 414.630 4.359 30 40 HIEB N#Cc1cc(F)c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1Cl 4622464 YBFWYDGKIAVJFV-UHFFFAOYSA-N 401.913 4.216 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 4736323 MYUZDDZQAKPNIE-LBPRGKRZSA-N 403.508 4.154 30 40 HIEB N#Cc1cc(Sc2ccccc2C(=O)NCc2ccco2)c([N+](=O)[O-])cc1C#N 4744531 KENCLUXRXTYDJP-UHFFFAOYSA-N 404.407 4.012 30 40 HIEB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C 5238240 JXAKWVJAIKVLEF-OAHLLOKOSA-N 404.495 4.045 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 5981184 CGHURSXOCQAQKW-UHFFFAOYSA-N 408.401 4.313 30 40 HIEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccc(-c2ccccc2Br)o1 7779192 LKBNYKAZJMSQJG-CIAFOILYSA-N 416.275 4.298 30 40 HIEB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 9110727 PFPANEZRZRTWNI-OAQYLSRUSA-N 401.418 4.184 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 14231378 HNEYAPWWZCLYNX-VGOCLEQBSA-N 408.542 4.122 30 40 HIEB N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccccc1Cl)N1CCOCC1 27792962 DUKONWZMAHXPCZ-QGZVFWFLSA-N 414.918 4.414 30 40 HIEB N#Cc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 32933250 BENKRTRIFYZOTE-UHFFFAOYSA-N 400.207 4.003 30 40 HIEB COc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)cc2c1 35289050 NRNCWTQEQZEGQZ-UHFFFAOYSA-N 406.492 4.456 30 40 HIEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3ccccc3Br)nc2c1C 35291984 JLXTVCZXFMMIDE-UHFFFAOYSA-N 423.314 4.328 30 40 HIEB CC/C(C)=N/Nc1nc2c(N3CCN(C(=O)C(C)C)CC3)c(Cl)ccc2s1 72230164 QJUNOQRVAJMEEU-LPYMAVHISA-N 407.971 4.452 30 40 HIEB CN1C(=O)[C@H](CC(=O)NCc2ccccc2)S/C1=N/c1cccc2ccccc12 100261650 LVJWTGLIZATCNR-XUKXGFMLSA-N 403.507 4.108 30 40 HIEB CCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O 4682473 SPCXOIYFLUBDAL-YQMDHOPXSA-N 415.946 4.040 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 5408602 JQZYNMAWONNQIA-QFIPXVFZSA-N 414.461 4.259 30 40 HIEB O=C(O)C[C@H]1S[C@@H](c2ccccc2Cl)N(/N=C\c2ccccc2Cl)C1=O 5663041 MGUGVACYUTUXBZ-UTIBPUFGSA-N 409.294 4.445 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 5800637 QFJAGEJDWAYSPY-SFHVURJKSA-N 405.841 4.221 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)n1 7653455 UFWJXKRQQRFELL-NSHDSACASA-N 408.863 4.492 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccncc1 8756036 LZHFRJJKSVLISB-UHFFFAOYSA-N 421.345 4.325 30 40 HIEB COc1ccc(Br)cc1/C=C/C(=O)c1cccc(N2CCOCC2)c1 11334615 RNFIAJKMNPKWAO-FNORWQNLSA-N 402.288 4.190 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 14087987 NNJXXQYZIVEODN-QGZVFWFLSA-N 408.527 4.013 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 17082853 NINLALHNOVUKLL-LSSDNNNWSA-N 404.469 4.303 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)NC1CCCCC1)CCN(Cc1ccccc1)C2 33317842 AQCIMEZBKDCYNM-UHFFFAOYSA-N 420.582 4.053 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)CC2)nc1 58157527 BJYDZFGXPQLFSE-UHFFFAOYSA-N 422.435 4.274 30 40 HIEB Cc1ccc(NC(=O)C2=Cc3ccccc3/C(=N\Nc3ccccc3O)C2=O)c(C)c1 100796702 ZVNUDNGOWJBORX-WEMUOSSPSA-N 411.461 4.430 30 40 HIEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1[N+](=O)[O-] 409204938 MHXGQGQEXIJOSV-SOFGYWHQSA-N 422.353 4.052 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O 409303633 NVKFPYJCXNGBFV-UHFFFAOYSA-N 400.276 4.089 30 40 HIEB Cc1cc(SCC(=O)N2CCc3ccccc3C2)n2c(nc3ccccc32)c1C#N 4270011 PXBVRXWBHVKFJW-UHFFFAOYSA-N 412.518 4.345 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc21 4492817 XFFKRMKTVDGHOJ-KRWDZBQOSA-N 422.554 4.178 30 40 HIEB Cc1c(/N=C/c2c([N+](=O)[O-])cccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C 6549803 NITDNCDFPIYTTR-FOKLQQMPSA-N 404.348 4.162 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 6654558 PHWDORWKBBQQIH-QGZVFWFLSA-N 402.475 4.279 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 6784000 MHGUBNIZXBMTRT-SFHVURJKSA-N 406.463 4.325 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2Cl)cc1 9088378 HPLNFGDLASHBJG-SPLOXXLWSA-N 406.873 4.356 30 40 HIEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9216914 IJOPRROKIIJZNF-UHFFFAOYSA-N 422.488 4.346 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19082669 NCNSTHBQQVVMFU-QFIPXVFZSA-N 419.569 4.200 30 40 HIEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19798082 SMKJLPJLEKBJEK-OAQYLSRUSA-N 410.470 4.439 30 40 HIEB CN(C(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2)c1ccccc1 20573491 CUJVYEXTEHVCGN-UHFFFAOYSA-N 406.555 4.187 30 40 HIEB CCC[C@H](C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32829259 FGYVZIDPHMFQSJ-IFXJQAMLSA-N 412.490 4.408 30 40 HIEB C=CCN1CCN(C(=O)C2CCC2)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 72391054 USXHQUGMGPCTDO-JOCHJYFZSA-N 420.528 4.308 30 40 HIEB O=C1C(=O)N(CCc2c[nH]c3ccccc23)[C@@H](c2ccco2)/C1=C(\O)c1ccccc1 102715820 OSFGEYIACASMEU-MOBKVPTQSA-N 412.445 4.425 30 40 HIEB C/C(=N/N)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296280 WROAEXIOBUXXSI-ONPJTIOPSA-N 419.525 4.067 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C(=O)O)cc1 210530762 SXZDMQDQEZBHCZ-WBCKRXDOSA-N 412.467 4.026 30 40 HIEB CCCCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 408537151 CGXKHYZREYVXAB-UHFFFAOYSA-N 424.950 4.002 30 40 HIEB CC[C@H](C)Oc1c(Br)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OC 408859434 XGFKFNGRFKQJEQ-IAMRBPOOSA-N 413.337 4.167 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1OC 408893831 NNWALHMAFYQXAS-UYRXBGFRSA-N 423.440 4.276 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1 409345954 LWYCDQSMGWUSAQ-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB Cc1ccc(NC(=O)c2c(N)n(/N=C/c3cccnc3)c3nc4ccccc4nc23)cc1 2265828 BUWZOJOFBVIWRM-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2C)c1 2664953 ZDXWMWBCRMJGIE-UHFFFAOYSA-N 419.554 4.446 30 40 HIEB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 3292693 ZCGVHXPHLGXJGC-UHFFFAOYSA-N 414.889 4.460 30 40 HIEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCC#N)n2Cc2ccco2)cc1 5858318 OFUARXMOUOLITR-UHFFFAOYSA-N 423.542 4.006 30 40 HIEB COc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1=O 6602242 PQOFSKHCVPZOBG-FQEVSTJZSA-N 412.445 4.192 30 40 HIEB Nc1ccc2[nH]c(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O)cc3)nc2c1 8857453 NSLQOQMSEMKKBE-LSHDLFTRSA-N 418.369 4.085 30 40 HIEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)s1 13728248 AUVFKFPQLRDARQ-GOSISDBHSA-N 423.469 4.073 30 40 HIEB CCCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1OCCC 15726865 FIDUZQRDUSVWBD-UHFFFAOYSA-N 411.502 4.012 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 19901232 AUZSUMVJZLJQKR-QFIPXVFZSA-N 422.525 4.032 30 40 HIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCCC1)C2 100731629 OKHUBORQPKQZOU-ZYLNGJIFSA-N 412.574 4.339 30 40 HIEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 100973356 CMZQQFODVUONMX-WYFZMLARSA-N 406.982 4.133 30 40 HIEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 102577456 JBCZOOCWUOIERW-HXUWFJFHSA-N 401.466 4.129 30 40 HIEB COCC/N=c1/scc(-c2ccco2)n1/N=C/c1ccccc1Br 103458117 XMBONNZYBRSOFS-MYVXQKSKSA-N 406.305 4.001 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409344570 HCRCAHALQVIAHP-ZHZULCJRSA-N 424.547 4.179 30 40 HIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 1012406 OMQLUFGBABSZOX-XAEZOWLJSA-N 416.886 4.456 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 4699886 FOMBLQNDBPKQBP-ZABCRHKISA-N 411.527 4.292 30 40 HIEB CN(C)c1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)cc1 6830323 PZNSKUSYJDKREZ-DAFNUICNSA-N 409.449 4.350 30 40 HIEB Cc1ccc2[nH]c(SCC(=O)Nc3c(C#N)c(C)c(C)n3C[C@H]3CCCO3)nc2c1 8185489 SOHIDDSKQXVCQG-MRXNPFEDSA-N 423.542 4.071 30 40 HIEB CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 12786432 IAXGZQRAEWVQRB-UHFFFAOYSA-N 412.740 4.496 30 40 HIEB C=C1c2ccccc2C(=O)N1CC(=O)N1/C(=N/c2ccccc2OCC)SC[C@H]1C 24951788 IPFGOWOPDXGKHL-HQYKYLBESA-N 421.522 4.163 30 40 HIEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 27793528 HUYFCBPFQWIFDW-JOCHJYFZSA-N 402.498 4.316 30 40 HIEB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1/N=C\c1ccccc1F 33740086 JYIOYUIOTDDZHW-OXWYTDJFSA-N 414.396 4.496 30 40 HIEB COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)c1 100369478 DIHRNRVTJYJMFG-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB C=CCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c(O)c2ccccc21 100537050 SHOKPZVFYSNXOG-UHFFFAOYSA-N 403.463 4.269 30 40 HIEB in-vitro C=CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1)S(C)(=O)=O 260911991 ACAVLYAZORFIRG-GOSISDBHSA-N 400.544 4.055 30 40 HIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)N2C(C)C)cc1 408907908 CKYBDEFPEVIGEF-FFXWWKDOSA-N 410.495 4.471 30 40 HIEB COC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2cc(Br)ccc21 409132025 KLYFHXAWAONJGY-UHFFFAOYSA-N 424.250 4.039 30 40 HIEB Cc1nnc(SC/C(O)=N/c2cc(Cl)ccc2Cl)n1C[C@@H]1CCCO1 887440 NANDUHLNTPDWFG-LBPRGKRZSA-N 401.319 4.453 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1OC 2198181 QSVDWWOBIPONNK-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2298345 RPTQKDHUCUBDKA-UHFFFAOYSA-N 401.857 4.431 30 40 HIEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1OC 2664960 KOLTYLMMPOWCID-UHFFFAOYSA-N 405.483 4.482 30 40 HIEB C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C 3357718 PEPYHVJNSDWKRU-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1OC 4736522 KXNKQTHZGODONK-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB CCOc1ccc(/C=C\C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 6078695 KVABLDHEQSMFLE-AVKJRPAMSA-N 424.517 4.169 30 40 HIEB biogenic C=CCOc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8477915 ADFCNJGYGXRNPP-UHFFFAOYSA-N 422.934 4.090 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 44859007 MMQWYNWQXTXBGQ-NRFANRHFSA-N 402.429 4.297 30 40 HIEB C=C(OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)NCc1ccccc1 59383624 HBJIFPPYVCEQLF-QHCPKHFHSA-N 401.462 4.373 30 40 HIEB N#Cc1cccnc1N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 70929366 ZTLKECYRKNSMRO-UHFFFAOYSA-N 422.960 4.451 30 40 HIEB C=CCOc1ccccc1CN1CCN(c2ccccc2[C@H](O)c2ccccn2)CC1 72340685 MTLANFVJBAFKPI-SANMLTNESA-N 415.537 4.050 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 72345302 PSCOWWUAUIONJP-YKSBVNFPSA-N 416.565 4.463 30 40 HIEB CCCCc1nc(OCC(=O)N(C)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 95476447 UQHNRWHLUXNBHK-UHFFFAOYSA-N 407.514 4.189 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(I)cc1 408739504 CHZIOJZATBCVNS-YDDPGSGASA-N 403.223 4.032 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408815795 UOLZXFJYBGZKLI-LDADJPATSA-N 410.857 4.188 30 40 HIEB CCOc1ccc(/C=N/c2ccc(C(=O)O)cc2C)cc1I 408905581 ZMQUSLROMUSGRW-VXLYETTFSA-N 409.223 4.447 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409248848 RQJOEZYOIYWKHP-OZZFTROTSA-N 417.418 4.072 30 40 HIEB Cc1cc2oc(=O)cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)c2cc1C(C)C 3334634 XTOIEAPVHFKYAT-UHFFFAOYSA-N 418.449 4.434 30 40 HIEB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H](C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N 4454736 NXJSLFYEHFFSJO-HJGBXLFDSA-N 423.557 4.453 30 40 HIEB Cc1cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2c2ccccc12 4843530 VCZDIDOSXHNCHL-UHFFFAOYSA-N 407.886 4.447 30 40 HIEB O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 4926899 WCBRXRNOHLQRPE-HYARGMPZSA-N 405.435 4.214 30 40 HIEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 9215567 VTIUPAYWAXRWNI-NHDPSOOVSA-N 417.373 4.439 30 40 HIEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 11684372 CQTFXCDNVPYPAP-UHFFFAOYSA-N 410.495 4.061 30 40 HIEB Cc1cccc(/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 12786115 CFEQBFIKCDBFJG-ZPKJPUMHSA-N 411.571 4.486 30 40 HIEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC 13140916 DICKOQCVAHPKKI-GQCTYLIASA-N 405.244 4.481 30 40 HIEB COc1ccccc1N1CCN(C[C@H](S)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 26781472 RLRPQSHQFUGEOP-AQNXPRMDSA-N 406.636 4.347 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 36395696 SNZVZOJSEAEJPA-LJQANCHMSA-N 415.518 4.034 30 40 HIEB N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1 78564788 PGEYFHXCHILILR-CQSZACIVSA-N 414.391 4.031 30 40 HIEB COc1ccc(N2CCN(c3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)CC2)cc1 96346445 CMHGXSCJMDQPOY-LEWJYISDSA-N 400.482 4.153 30 40 HIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn(CC(C)C)c(=N)c32)cc1 101176021 RFDXFKMFQJSIIQ-LJQANCHMSA-N 407.514 4.195 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c([N+](=O)[O-])c1 102952508 QEXGCQPHOUKUKW-YUHFKEIZSA-N 420.535 4.015 30 40 HIEB CCOc1cc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc(Cl)c1O 106599186 RUHFLCHRFRFXJL-KHRYYQJGSA-N 409.920 4.276 30 40 HIEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225713818 FQGJVXRBZAXELR-UHFFFAOYSA-N 404.513 4.010 30 40 HIEB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc(CC#N)cc4)cn1c23 226094248 XQLGSMJRDGNNHO-LBPRGKRZSA-N 422.282 4.199 30 40 HIEB O=[N+]([O-])c1cccc(Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)c1 409108180 SEKNFXFUMJFWJN-FSJBWODESA-N 416.397 4.347 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccc(C)c(O)c1)C2 585107413 VDFGFLDYOHETOV-RUZDIDTESA-N 414.509 4.024 30 40 HIEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 1889267 PAURNJUVSNJZFX-HNENSFHCSA-N 424.884 4.172 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 2023069 RJLWILLCCAFAQP-OAQYLSRUSA-N 413.514 4.348 30 40 HIEB CCc1ccc(/N=C2\C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1 2334518 KIHLKPYZXYJSKY-SGEDCAFJSA-N 424.548 4.496 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1C 2740388 VJZSZODHZQGWGF-UHFFFAOYSA-N 420.332 4.425 30 40 HIEB N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc3c(c2)OCCO3)n1 5000357 SAVSXTGDGSNKFC-UHFFFAOYSA-N 408.845 4.141 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc2ccccc12 6238834 XKCWOWWFSMQCLJ-JOCHJYFZSA-N 401.462 4.455 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)cc1 6732461 DKQGYYFKYVRXMI-OAQYLSRUSA-N 421.449 4.056 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(COc4ccccc4)nc13)O2 9348745 RHIAJEBIOJPIQN-OAQYLSRUSA-N 424.460 4.235 30 40 HIEB Nc1nc(N)c2c(n1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1ccc(Cl)cc1 10339118 FOUVAKUOBZAETE-KBXCAEBGSA-N 417.900 4.253 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 13716719 AXOMOQBOXGNCIP-OAQYLSRUSA-N 416.543 4.052 30 40 HIEB C=CCOc1cccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 101314070 QSGJJKRQODVVRY-LFVOPCPISA-N 422.462 4.236 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)o1 222318651 XNMTUWSDEQIYCH-JPHQEFEGSA-N 406.869 4.295 30 40 HIEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C(=O)O)c2)NC1=O 408811816 LYYSHZGBTHQWHY-YBEGLDIGSA-N 402.859 4.329 30 40 HIEB COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O 2103652 YYMYZZKBYIESRW-YVNNLAQVSA-N 416.385 4.259 30 40 HIEB biogenic COc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c([N+](=O)[O-])c1 4993962 AFHQBBPHRZZEOX-UHFFFAOYSA-N 408.439 4.063 30 40 HIEB CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 5390589 MDIQDRCPXRBHTM-NDENLUEZSA-N 411.454 4.469 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 5491269 LMXPZIHWAYOCLK-RHSMWYFYSA-N 403.887 4.159 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1)c1cccs1 6691033 OHKWUMRDWBXIFC-PBHICJAKSA-N 403.887 4.159 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C)cc1 9303754 BLTJJBVKYTYIOT-OAHLLOKOSA-N 422.510 4.288 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ncccc2c1=O 12886497 TXLNQLNEJBXSID-CQSZACIVSA-N 404.495 4.131 30 40 HIEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20635453 DKIMKQGKMXWODY-LJQANCHMSA-N 419.529 4.012 30 40 HIEB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc3ccccc3n2CCC#N)c(C)c1 24834679 GYNYCBYPAJEEMH-INIZCTEOSA-N 421.526 4.396 30 40 HIEB C[C@@H](NC1=C(NC(=O)c2cccs2)C(=O)c2ccccc2C1=O)c1ccccc1 102138152 AYQUKOFPYCPBLV-CQSZACIVSA-N 402.475 4.120 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 102934622 SGSLKOUXOJGDOZ-MOBKVPTQSA-N 414.461 4.497 30 40 HIEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224968900 QTJOLTFDVYZMOE-UHFFFAOYSA-N 423.918 4.215 30 40 HIEB COc1ccc([C@@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 1736981 LHHIEQABTRNXFN-HKUYNNGSSA-N 420.527 4.453 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C#N)cc2c1 4994010 VHTFOBBZVWVRAZ-UHFFFAOYSA-N 408.439 4.144 30 40 HIEB O=C1/C(=N\Nc2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 100005748 LAEWYEJKAHDNBQ-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB COC(=O)c1cccc(/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 409384998 HGFAWQYMCUXZJA-FMCGGJTJSA-N 409.394 4.103 30 40 HIEB COCCn1c(SCc2ccccc2C#N)nc2sc3c(c2c1=O)CCCC3 3549133 CUVFRMFNKDFLKY-UHFFFAOYSA-N 411.552 4.147 30 40 HIEB CCOc1ccc(-n2c(C)cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 409187418 QDPAXXNNEKZIQF-HZHRSRAPSA-N 411.527 4.114 30 40 HIEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 9138700 UTLGWFIYMFLMJC-UHFFFAOYSA-N 415.814 4.130 30 40 HIEB COc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2OC)NC1=O 408721028 IGHMCJPTAITZSH-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C(C)=O)c3)nc2c1 35291661 VHPWSYYFNLHKFL-UHFFFAOYSA-N 405.479 4.439 30 40 HIEB CC1(C)OB(c2cn(COCC[Si](C)(C)C)c3ncc(Cl)cc23)OC1(C)C 613822604 KEUOVDUSNLVCED-UHFFFAOYSA-N 408.811 4.301 30 40 HIEB C[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 2193881 MVEYBBWMMSBPHV-AKGMTCMXSA-N 420.307 4.442 30 40 HIEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)NC1CCCCC1 14126866 COGXQZWVTDAOML-UHFFFAOYSA-N 414.575 4.201 30 40 HIEB N#Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)sc2c1CCC2 9714895 KXKDASNCVXQQGV-UHFFFAOYSA-N 423.519 4.162 30 40 HIEB CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc34)CC2)cc1 38653236 XEHCNWUPEAJDRL-UHFFFAOYSA-N 418.472 4.499 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 870252 KSIOYGAFZBWCEH-DVCONVQISA-N 417.918 4.329 30 40 HIEB CCOc1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 4310804 VMQAAXGFSDZNJJ-UHFFFAOYSA-N 409.511 4.238 30 40 HIEB CN(C)S(=O)(=O)c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl 5287209 BDPXELYCGKUAIT-UFWORHAWSA-N 407.706 4.353 30 40 HIEB COc1ccc(/C=N\OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1OCc1ccccc1 6409503 OSIAUXOIMZDKIN-SMTYBQBFSA-N 410.514 4.414 30 40 HIEB Cc1cccc(CN2c3ccccc3C(=O)/C(=C/Nc3ccccc3)S2(=O)=O)c1 20132677 VAIKDKAYCPSZPZ-JCMHNJIXSA-N 404.491 4.481 30 40 HIEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 27991474 KDAZERRNOJBMBA-NRFANRHFSA-N 405.502 4.003 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc2c1 35311843 IOROFGTUUDWLEA-UHFFFAOYSA-N 406.463 4.251 30 40 HIEB CN1CCC(C#N)(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1 603884905 CGPVXNHVNFZRSG-UHFFFAOYSA-N 422.479 4.150 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(N)=O)[C@H]2c1ccc(Cl)cc1 715086 RXCVJUGGBNEASC-IBGZPJMESA-N 421.928 4.243 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 870254 KSIOYGAFZBWCEH-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 2055403 RXSWFYBWRJQYQZ-IBGZPJMESA-N 419.905 4.365 30 40 HIEB C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5348946 SAKDIGXRYYLCNO-UHFFFAOYSA-N 410.470 4.031 30 40 HIEB CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 5841385 CECKHWUAKOPRLE-DJKKODMXSA-N 406.236 4.408 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccs1 8838267 JYCWIIPBAILXSI-YVEFUNNKSA-N 403.887 4.159 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)nnc1-c1ccoc1C 12984360 WLFWZKRICIUNSG-DZGCQCFKSA-N 414.535 4.319 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)n(C[C@H]2CCCO2)c1C 14129738 WJZJCVIFLLEKRI-NFBKMPQASA-N 420.557 4.104 30 40 HIEB COc1ccc(/C=N/NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 16739980 SOQVWVDYMIOXPT-KHGLHOOQSA-N 416.300 4.052 30 40 HIEB N#Cc1sc2nc3nc4c(c(-c5ccccc5)c3c(=O)n2c1N)CCc1ccccc1-4 17117767 TXALIYWDQGQQSE-UHFFFAOYSA-N 421.485 4.191 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 17147655 QTIXVPFSMICETH-OAQYLSRUSA-N 403.434 4.375 30 40 HIEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cc(Cl)ccc1O)c1c(O)n[nH]c1N2 18196316 MTTDNTDKQWWVOC-ABKXIKBNSA-N 413.886 4.494 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 19817602 BSAZBKZMBTVTJP-FQEVSTJZSA-N 412.917 4.260 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(Cl)cc2)=N1 57401472 WKXQHYRKZZYQMW-UHFFFAOYSA-N 414.918 4.262 30 40 HIEB COC(=O)/C=C1/S/C(=N/c2ccc(C)cc2)N(CCc2c[nH]c3ccccc23)C1=O 101379881 CPYNIHYEZSLSDG-OYPKHVMMSA-N 419.506 4.339 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@@H]2c2cccc(Cl)c2)cc1 104196565 XRFSUHSKVOYZOG-IBOXJLQUSA-N 411.870 4.126 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1102887 BJEZEGMPZDDGPM-UDWIEESQSA-N 419.300 4.330 30 40 HIEB CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1 5309562 RAUAXZSCIUWIRU-UHFFFAOYSA-N 417.966 4.395 30 40 HIEB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(C#N)cc2F)cc1 6630458 FLMIDPHURTYMCA-UHFFFAOYSA-N 403.413 4.116 30 40 HIEB C=CCn1c(SCC(=O)N(C)Cc2cccc(F)c2)nnc1-c1cccc(C)c1 9513916 IKUOJVZXXTUXSB-UHFFFAOYSA-N 410.518 4.329 30 40 HIEB C=CCOc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1OC 14527738 GESMSSZWAUBTET-UHFFFAOYSA-N 401.532 4.201 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S 15012490 VWNWRJDAKSUPLU-STZFKDTASA-N 415.518 4.060 30 40 HIEB C=C(C)CN(CC)C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 22831261 QCEYHJSPYPJZBO-OAHLLOKOSA-N 421.998 4.060 30 40 HIEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)cc1 32501364 SMWZUDWTTQZTOT-JJFYIABZSA-N 414.461 4.367 30 40 HIEB COc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1OC 34791581 QBSZRPYOEBGNQK-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCOC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 95215274 LCUJZMQRZJYNML-XTCLZLMSSA-N 412.449 4.082 30 40 HIEB CCOc1cc(/C=N\O)cc(I)c1OCc1cccc(F)c1 100250384 BTIZKHLZZMLTEY-OCKHKDLRSA-N 415.202 4.216 30 40 HIEB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\N=C1/NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S1)C2 101025312 IQUGJIVYYGPFAC-SXARCVDBSA-N 401.507 4.188 30 40 HIEB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C#N 225771060 LSDRJLDBAOZQFJ-UHFFFAOYSA-N 423.469 4.188 30 40 HIEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OCc1ccc(C)cc1 409074951 VOGLTEMXTDHSGT-UHFFFAOYSA-N 424.493 4.431 30 40 HIEB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)c1C 2642936 ZNVHCSIYGSOUHB-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 3261962 PDAMNIUTSZXUOV-HAVVHWLPSA-N 409.511 4.166 30 40 HIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 5051284 WFNHNYCJEHMOFY-SGNDLWITSA-N 422.481 4.302 30 40 HIEB COc1cccc(OCc2cc(/C=N/Nc3ccc(C(=O)O)cc3)ccc2OC)c1 5577035 XAVIKIBYDAOWPO-ZVHZXABRSA-N 406.438 4.427 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(-c2ccccc2)c1C 12536403 KVQPIAAXTLTGNW-UHFFFAOYSA-N 420.542 4.015 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C 17921106 NVERUWAYXLGFEX-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB O=C(C[C@@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cc(Cl)cc(Cl)c1 21133099 ZEWZQQZNASHAFD-AWEZNQCLSA-N 400.331 4.242 30 40 HIEB O=C1Nc2ccc(Br)cc2/C1=N/N=C/c1cc(Cl)cc(Cl)c1O 36617183 IOYBUPPWLLSEMO-KPSZGOFPSA-N 413.058 4.237 30 40 HIEB C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CC(=O)NCCC#N 36735204 ATGKMRKYLNBTIH-CRAIPNDOSA-N 406.917 4.360 30 40 HIEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccccc3OC)NC2=O)c(OC)c1 408720662 BMAUDZJYQXNOLY-MOSHPQCFSA-N 411.527 4.442 30 40 HIEB CCc1ccccc1/N=C1\S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C(=O)N1C 408915546 PZBCGQFFWYNJNW-OUYOUGTCSA-N 413.455 4.105 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 409365544 YIGLDAKMCJRGIX-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 614719438 DZLBICYYVLVHGX-AREMUKBSSA-N 422.488 4.031 30 40 HIEB O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc(Br)c1 811509 NTFVQOAUIXUYDD-UHFFFAOYSA-N 421.250 4.095 30 40 HIEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)c1 2153657 CXRGJIRUWWEJSO-YVNNLAQVSA-N 416.385 4.259 30 40 HIEB biogenic N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 2636010 FZWNFRIHAMRORE-UHFFFAOYSA-N 411.870 4.265 30 40 HIEB CCOC(=O)/C(C#N)=N/Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 3050087 PDVKIFPNOXDHAN-LFVJCYFKSA-N 405.241 4.100 30 40 HIEB Cc1cccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)n2-c2ccccc2)c1 3407392 OJKOLDSQLBOIOI-HSZRJFAPSA-N 417.538 4.143 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 8715664 OBGANYMUPTWEDK-IERDGZPVSA-N 407.510 4.252 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c(OC)c1 12662365 GOYPZAGURHFCIH-JMIUGGIZSA-N 412.438 4.041 30 40 HIEB biogenic C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc2c(s1)CCCC2 12797854 UNSRHWCZESTXTO-KRWDZBQOSA-N 409.555 4.211 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1C 13569252 LTKYUUSASJBMKB-NRFANRHFSA-N 418.449 4.391 30 40 HIEB COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(C)c4)CC3)c2c1 44166870 DOYCXWZOXSXWQO-UHFFFAOYSA-N 418.472 4.418 30 40 HIEB N#CCCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 65453166 QEFIGQOTHHKLAS-UHFFFAOYSA-N 424.931 4.164 30 40 HIEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1nc2ccccc2s1 100628261 KECJWABRTKSFQX-DPFXTCQJSA-N 414.487 4.026 30 40 HIEB CCOC(=O)c1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 408859149 LXLVVONXRMEANW-YVLHZVERSA-N 416.886 4.417 30 40 HIEB Cc1cc2c3c(c1)/C(=N/c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2CN1CCOCC1 618255963 CRNXJKBGCSMTRS-QYQHSDTDSA-N 419.500 4.109 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccccc3Br)NC2=O)ccc1O 2423901 SXQCFGHYESQTLV-OQLLNIDSSA-N 405.273 4.055 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccc(OC)c2)cc1 12408424 GKFMTDLMGJYULE-BTYIYWSLSA-N 418.453 4.066 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19082661 PNCQECNFEIRVPS-QHCPKHFHSA-N 419.569 4.200 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 19898802 WFUUSZOGXYJQBH-GOSISDBHSA-N 419.308 4.133 30 40 HIEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@H](c1ccccc1)N1CCOCC1 27748728 CXSHADRGBLCOMI-HXUWFJFHSA-N 408.889 4.352 30 40 HIEB O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 39371216 SCVFVSGIBRIOPN-HYARGMPZSA-N 400.887 4.231 30 40 HIEB CCOc1cccc(/C=N/c2cc(S(=O)(=O)c3ccccc3)ccc2OC)c1O 97831965 FJDDJFHADPQCPX-HZHRSRAPSA-N 411.479 4.383 30 40 HIEB Cc1ccc(Cl)cc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740072 CUUNDZSRNOHXJH-SLSPDHCBSA-N 406.294 4.068 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OC(C)=O 408761599 GVQKFZRNPCOVFU-YVLHZVERSA-N 402.859 4.166 30 40 HIEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)N1CCCC1 409164711 MOCUNPTZWAMKOJ-AFUMVMLFSA-N 423.538 4.259 30 40 HIEB C#CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC 409167862 OQGBUUHVKTTYKR-FYJGNVAPSA-N 418.474 4.205 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC 4684720 IKLILXTUHUWGJT-NRFANRHFSA-N 405.454 4.072 30 40 HIEB CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 6783489 DGVNAEFBPBECDD-OAQYLSRUSA-N 418.449 4.242 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(Cl)cc2)cc1 9331616 XVXKRKVTOPHLQJ-QVKFZJNVSA-N 406.873 4.356 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 13282800 IXLXNCBPWURRHA-IBGZPJMESA-N 422.368 4.105 30 40 HIEB CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 19144703 NUVBMYRTQDLPFX-NIHHCSOHSA-N 417.845 4.458 30 40 HIEB C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 32909355 ZADQOECCNSYSBD-FQEVSTJZSA-N 405.542 4.409 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 102803567 SOVZRZWRDVTWNC-YDJIHCHBSA-N 420.852 4.370 30 40 HIEB N#Cc1ccccc1CO/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1 408595691 MLPUXHIBYUDYEZ-VULFUBBASA-N 403.413 4.266 30 40 HIEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C(N)=O)cc1 409096325 KROJKBVXJDBEDI-NSKAYECMSA-N 401.392 4.053 30 40 HIEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc(Cl)cc2Cl)C2=C1CCCC2=O 409210042 HSYULSYZFXJJFG-UHFFFAOYSA-N 420.292 4.491 30 40 HIEB Cc1ccc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C#N)cc12 1354271 KKOLYFOJPLOKPK-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1-c1ccccc1 4959754 BGDOHBDEVQQYME-UHFFFAOYSA-N 409.540 4.119 30 40 HIEB C=CCn1c(S)nnc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 5444031 YFOUKUFASLDLBT-UHFFFAOYSA-N 406.540 4.293 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2Cl)cc1 9088376 HPLNFGDLASHBJG-SZNDQCEHSA-N 406.873 4.356 30 40 HIEB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 9337414 LSMWVDOGGQLTKB-UHFFFAOYSA-N 410.517 4.195 30 40 HIEB O=C(C[C@H]1S/C(=N\c2ccccn2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 12786602 HJMNLPXCDOVYMG-GOSISDBHSA-N 418.478 4.122 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2C[C@@H]2C)C1 19462716 GUMQQLRTLGSDKF-MNDLBQGCSA-N 420.528 4.212 30 40 HIEB COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 58109061 JKIMNWZNEPXZIC-LJQANCHMSA-N 420.534 4.389 30 40 HIEB C[C@@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 63235088 NLPHKDKBNVYGKI-MRVPVSSYSA-N 405.284 4.039 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)[C@H]3C[C@@H]3c3ccccc3F)n2)n[nH]c1=S 69928869 BTJCKODXXYNEDZ-KGLIPLIRSA-N 415.519 4.055 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 101231668 YKXXRLDJDNAROH-SELCWUDQSA-N 412.283 4.365 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)no1 102369074 NCZKNMIUARZGOB-MRJHHRETSA-N 418.449 4.397 30 40 HIEB C=CCc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc(OC)c1O 408801301 UZBVEJVBEXMZPB-UHFFFAOYSA-N 411.503 4.209 30 40 HIEB Cc1ccc(/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1Cl 408968464 ZBJJOLPRWNEBFO-FMCGGJTJSA-N 401.919 4.454 30 40 HIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ncnn3C)c2C#N)C1 541820888 KCEJAKRRTFRESV-LBPRGKRZSA-N 403.577 4.020 30 40 HIEB CC1(C(=O)NCCSCC(F)(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 553459651 JPBIWKJVPSCSPZ-UHFFFAOYSA-N 419.900 4.230 30 40 HIEB Cc1nc2sccn2c1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585293844 BAOJFNBJSHKBIJ-IBGZPJMESA-N 415.526 4.447 30 40 HIEB C#CCOc1ccc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc1 1531289611 QTIZEEKESKIQKS-OEAKJJBVSA-N 424.298 4.006 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1 4093478 LXQNASURLGZXDD-NRFANRHFSA-N 418.449 4.160 30 40 HIEB Cn1cc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c2ccccc21 4798171 DIBZDTYDUUHEKG-BUVRLJJBSA-N 412.501 4.153 30 40 HIEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 4955101 CEJYWJSEJHZTLS-VDDKDFEESA-N 411.527 4.256 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c(OC)c1OC 5157852 SWCDDXYYBKLAKZ-WQRHYEAKSA-N 412.438 4.280 30 40 HIEB biogenic O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4ccc(F)cc4)nc13)O2 5351791 SQJMFSHCCFMTPQ-SFHVURJKSA-N 402.385 4.055 30 40 HIEB CO/C=C(\C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 5700743 WFDXOXNFNRHQEC-LGMDPLHJSA-N 403.394 4.093 30 40 HIEB in-vitro C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 6615853 FBXRUPQWWWDDEE-ZFVWIKOCSA-N 414.453 4.044 30 40 HIEB Oc1ccc(Cl)cc1/C=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 8427443 FPKOSPVYMHLRBZ-OEAKJJBVSA-N 423.908 4.411 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc21 9167080 SQSBREKGKWCBIM-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB NC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 12656535 KVKUNMJJVVGQLJ-VGLIXDPASA-N 408.310 4.001 30 40 HIEB N/C(=N/OC(=O)c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl 12956665 BGTZBTPRFZSIDY-UHFFFAOYSA-N 411.689 4.250 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1OC 16973287 IAGYUVIKKIJPNR-WAIKUNEKSA-N 416.481 4.019 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(Cl)ccc1O)c1c(O)n[nH]c1N2 18196319 MTTDNTDKQWWVOC-FVMDXXJSSA-N 413.886 4.494 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 20135265 IYKJEXGLVDUFEC-FQEVSTJZSA-N 424.884 4.226 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)SC1=S 27531616 ZUWMGJFOMZZULA-LFIBNONCSA-N 417.533 4.363 30 40 HIEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2cc1C 35312978 KEBUDQXRJPEMAR-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(Cc3ccc(C#N)cc3)C1)CC2 72342491 GBSYOSPEZDDXHT-XMSQKQJNSA-N 405.542 4.159 30 40 HIEB CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCC#N 409042061 XHOXNCZSEPFKNO-VAPIAZESSA-N 421.700 4.355 30 40 HIEB C#CCOc1c(I)cc(CNc2ccc(F)cc2)cc1OC 409202524 UDCCFWDNEZERSF-UHFFFAOYSA-N 411.214 4.063 30 40 HIEB CC1(C(=O)NCc2nc(C3CC3)cs2)CCN(c2ccc(Cl)cc2C#N)CC1 582007927 QAVOZKYVJSGVQA-UHFFFAOYSA-N 414.962 4.468 30 40 HIEB CC1(C)OB(c2c(Br)ccc(OCc3ccccc3)c2F)OC1(C)C 642814372 GCZDXELPQZNTSJ-UHFFFAOYSA-N 407.088 4.466 30 40 HIEB C#CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O 1857794194 NTTIEWDWIODTPO-PGRDOPGGSA-N 424.534 4.238 30 40 HIEB COc1ccc2cc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(Cl)nc2c1 1215093 FWCGULMQWWUGGD-ZMOGYAJESA-N 406.873 4.445 30 40 HIEB C=C(C)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 2287079 VAZWWMPOJPIWAX-UHFFFAOYSA-N 423.538 4.309 30 40 HIEB Cc1ccc(N2C(=O)N(Cc3ccccc3C#N)c3ccccc3S2(=O)=O)cc1 2715880 KVTAGHUJLURLGD-UHFFFAOYSA-N 403.463 4.202 30 40 HIEB COc1cc(CC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1OC 3284642 YJFYEGUTMFQDHR-UHFFFAOYSA-N 403.434 4.399 30 40 HIEB CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4860458 PUUJKIWKEQOHGJ-FHWLQOOXSA-N 407.562 4.416 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 6239012 QAKMZGWIYFYAMO-KRWDZBQOSA-N 406.265 4.218 30 40 HIEB COc1cc(/C=N/Nc2ccc(Br)cc2)c(Br)cc1O 6490521 WGYLEOXKFFQRPG-CAOOACKPSA-N 400.070 4.372 30 40 HIEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 6566058 YPLXRWXLLHDKCO-KRXBUXKQSA-N 408.395 4.340 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 8041204 DHHSVGIAQKGCLH-UHFFFAOYSA-N 422.934 4.090 30 40 HIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc2c(c1)OCCO2 15980999 JZYHAJZGKOPPNU-XZXQKEKISA-N 417.437 4.002 30 40 HIEB COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C#N)c4)nccn3n2)cc1 16954715 NSOJRIZOYKTCMB-UHFFFAOYSA-N 415.478 4.007 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1CN1CCOCC1 19948468 KKISZWGPVDCBRF-UXBLZVDNSA-N 403.478 4.282 30 40 HIEB COc1cccc(NC(=S)NCCCNc2nc3c(C)cccc3cc2C#N)c1 35292320 CHZWMGQSXLKYBW-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB COc1ccc(-c2c(C)sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)cc1 35897665 XBAKCWBZIKJPHO-WXRFYESLSA-N 408.479 4.065 30 40 HIEB CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 38654403 PEUSQUSYFRPSRJ-UHFFFAOYSA-N 400.482 4.360 30 40 HIEB Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 145040552 PBPXKAOAXSANIY-FOKLQQMPSA-N 405.882 4.285 30 40 HIEB C=CCN(Cc1ccc(C(=O)NC(C)(C)CC)cc1)S(=O)(=O)c1ccc(C)cc1 224480181 BHAIODYQWVNNFB-UHFFFAOYSA-N 414.571 4.290 30 40 HIEB C=CCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCC2 2668429 SZZUZLKOZUAJLT-UHFFFAOYSA-N 404.919 4.214 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)cc1C 5546965 QUZVKUWESFWAQD-ZOVQAKDCSA-N 407.469 4.053 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)C)c1 6938955 URQXAYYKIQPAHX-UHFFFAOYSA-N 406.935 4.107 30 40 HIEB COc1ccc(N2CCN(c3oc(/C=C/c4cccc(OC)c4)nc3C#N)CC2)cc1 7275605 LSYJREQSHOBYMQ-IZZDOVSWSA-N 416.481 4.060 30 40 HIEB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sccc1C#N 7362266 RUGIJUCESUXFSG-CYBMUJFWSA-N 409.540 4.256 30 40 HIEB Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccc(Cl)cc3)c1CCS2(=O)=O 31895417 KLQUWHRFSVSGAU-UHFFFAOYSA-N 409.898 4.161 30 40 HIEB COc1cc(/C=C/C(=O)c2ccc(SCC(=O)O)c(OC)c2)ccc1OC(F)F 58184484 NXPKTYUTWRZJQI-ZZXKWVIFSA-N 424.421 4.378 30 40 HIEB N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288567 GZVDMFPHXMKRRV-LJQANCHMSA-N 406.873 4.344 30 40 HIEB C=CC/N=c1/scc(-c2cccs2)n1/N=C/c1ccc(N2CCOCC2)cc1 102926582 BUAGLIMVXFRFLV-QIJUSMMZSA-N 410.568 4.084 30 40 HIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1 218522213 CBVJHZWEWQVOQD-ACRUOGEOSA-N 403.931 4.389 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)SC1=S 408577836 URFSGVPPSWZKPS-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 409228309 XBZLYAHJGVZZBV-DEDYPNTBSA-N 408.479 4.210 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2OCc2ccccc2)n1 6606038 DSPNVHRSLNEFRZ-GOSISDBHSA-N 406.463 4.064 30 40 HIEB C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1OC 8110656 YBWSQYVXEVDJBN-GOSISDBHSA-N 415.898 4.167 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)C(C)(C)C)C1 19081172 MOAKUZUWSFCJQB-AREMUKBSSA-N 419.569 4.248 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19082671 NCNSTHBQQVVMFU-JOCHJYFZSA-N 419.569 4.200 30 40 HIEB N#Cc1cccc(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 21658150 DTRSYYZYYINDID-UHFFFAOYSA-N 421.453 4.028 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1[C@H](C)Oc1ccccc1 32604161 LTHABKBDOLQKAQ-SFHVURJKSA-N 422.554 4.321 30 40 HIEB C[C@@H](Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)Nc1sccc1C#N 32797167 IPFOKGYGSGNFRO-MRXNPFEDSA-N 418.522 4.031 30 40 HIEB COc1ccc2nc(NCCCNC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2c1 35312363 FAZSFZMTVOYICZ-UHFFFAOYSA-N 409.877 4.392 30 40 HIEB COc1ccc(N2C(=O)[C@H](Oc3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 48324973 IBWJODXSBJOKOW-DHIUTWEWSA-N 400.434 4.111 30 40 HIEB COc1cccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 102872413 DFFBZGPOVFGPER-MRJHHRETSA-N 403.434 4.219 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102878932 YPSKDGKJARINJQ-WOOAAIBNSA-N 420.490 4.395 30 40 HIEB C=CCc1cc(/C=N\c2ccccc2Br)cc(OC)c1OCC(=O)O 408820289 VFEPYXNRDHXMSA-NHDPSOOVSA-N 404.260 4.400 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O 409132049 OGWFTWYHAXJANE-LDADJPATSA-N 412.873 4.396 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 1097820 UQUFJDYZUMDJJW-GVAUOCQISA-N 423.509 4.103 30 40 HIEB CCOC(=O)c1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 2135007 YUEIHZAGMDJMPC-UHFFFAOYSA-N 400.434 4.397 30 40 HIEB Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)c2nn(C)c(=O)c3ccccc23)c1 3298246 UCUKTDQNGNWCGX-GYHWCHFESA-N 420.538 4.206 30 40 HIEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(Br)cc1F 6131637 JJTHFOQZYMDMGA-UHFFFAOYSA-N 409.327 4.170 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1Cl 6886839 UTHPPVKTGYMOJG-UHFFFAOYSA-N 405.841 4.044 30 40 HIEB C=CCOc1c(Br)cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1OC 22076655 YUXGLRBWMRCTJB-AUUYWEPGSA-N 406.320 4.234 30 40 HIEB N/C(=N\OCc1cc(-c2ccccc2)on1)c1ccc(OCc2cccnc2)cc1 58152106 PHOKZONJHYVJOI-UHFFFAOYSA-N 400.438 4.153 30 40 HIEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCO2)c1cc(Cl)sc1Cl 84451625 DFFAZQGMYLPAHE-DUXPYHPUSA-N 406.268 4.142 30 40 HIEB C#CCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2cc(NC(C)=O)ccc21 100875846 BONMHYRGKNZRJZ-WRLFMOQESA-N 409.898 4.089 30 40 HIEB C#CCn1/c(=N/C(=O)c2ccc(Br)cc2)sc2cc(F)cc(F)c21 100877782 DRWLEQQBLFVOPC-FXBPSFAMSA-N 407.239 4.118 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C 102805397 VTTJVFBBZNGIMP-NHFXJNLRSA-N 422.412 4.065 30 40 HIEB CN1C(=O)/C(=C/c2ccc(Br)s2)S/C1=N/c1ccc(C(=O)O)cc1 408792426 JXQSCYHENUYCPP-QKQCCSLKSA-N 423.313 4.443 30 40 HIEB C#CCOc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC 408910151 JHVACIZFEKOCJP-UHFFFAOYSA-N 411.251 4.322 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 2450577 RYZLONLUVZGDAY-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1C 7236615 KMOOKQMREKGGNY-UHFFFAOYSA-N 415.906 4.076 30 40 HIEB N#CCC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 8709569 IFJVRJMMQTYZNP-FQEVSTJZSA-N 407.520 4.450 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 8715665 OBGANYMUPTWEDK-HRAATJIYSA-N 407.510 4.252 30 40 HIEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 13801831 PUUJKIWKEQOHGJ-GUDVDZBRSA-N 407.562 4.416 30 40 HIEB N#Cc1cccc(NC(=O)C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)c1 15973726 LKCILZRLNTTZDD-UHFFFAOYSA-O 413.423 4.184 30 40 HIEB COc1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1Cl 18093830 OUGWWICIJIJESP-FSJBWODESA-N 417.918 4.154 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 19901230 AUZSUMVJZLJQKR-JOCHJYFZSA-N 422.525 4.032 30 40 HIEB COc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162401 DPNVTKYNZNBBLD-REZTVBANSA-N 401.054 4.382 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 101231601 GFXMVGNQRTUJCK-SELCWUDQSA-N 412.283 4.365 30 40 HIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)c1 102862861 QYFPSMJSAYCXJE-JBCNATCCSA-N 403.409 4.461 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 169690738 NYERNECKBAKABG-LJWSRQHQSA-N 409.489 4.221 30 40 HIEB Cc1ccc(N2C(=O)[C@H](/C=N/c3cccc(Cl)c3Cl)C(=O)NC2=S)cc1 408764465 ITFQGRCVUDHCCQ-PITUFAOZSA-N 406.294 4.068 30 40 HIEB CCOC(=O)c1cccc(/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1 409384819 DQLNDHXFHDRXHS-CFRMEGHHSA-N 423.421 4.493 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1104389 CFVVGMHKYJXWHF-NRFANRHFSA-N 419.477 4.120 30 40 HIEB COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1Br 12560977 JHNJFCFIQBMPCY-OEAKJJBVSA-N 416.363 4.226 30 40 HIEB CCOC(=O)[C@](C)(F)OC(F)(F)[C@@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F 100523284 QCMMOZMMCFWTBJ-RQJHMYQMSA-N 416.183 4.337 30 40 HIEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)c2)cc1 112265138 IIPXHJWKMZPJSQ-FBWWKUGXSA-N 400.478 4.105 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccc(OC)c1 2442462 DJGLQJIGZRGOPG-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(F)cc1 4736246 CTTGLTGBBOUSRW-UHFFFAOYSA-N 404.417 4.279 30 40 HIEB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1N/C=C/C(=O)C(F)(F)F 9126980 KJZGHDBGZGZPQE-MDZDMXLPSA-N 416.355 4.265 30 40 HIEB COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 7505597 BSXDDZAJRMRDPH-LHHJGKSTSA-N 409.463 4.098 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)SC1=S 408961305 RFNZVPHAUUHNNO-PDGQHHTCSA-N 411.504 4.351 30 40 HIEB N#Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 32829551 BZDHEGXTUADUHS-UHFFFAOYSA-N 423.473 4.051 30 40 HIEB Cc1cccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)c1 223761627 AXZXDHYUNQHQPJ-FXBPSFAMSA-N 402.317 4.036 30 40 HIEB CCOc1cc(/C(O)=N/S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC 89990984 PLJZEKOWORSYGA-UHFFFAOYSA-N 404.271 4.094 30 40 HIEB Cc1ccc2c(c1)C(=O)NC1=C(c3nc(-c4ccc(Cl)cc4)cs3)C(=O)CN12 102135460 DGMUYWLWABPNCP-UHFFFAOYSA-N 407.882 4.273 30 40 HIEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O 11868761 ZBRQOGPJBXJGMF-MTJSOVHGSA-N 417.373 4.439 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccccc1OC 6076856 VINVBSDIBZPIAE-INIZCTEOSA-N 414.575 4.317 30 40 HIEB CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@H](C)C/C2=N\OC 33570959 CXZJGLZFAKAXPG-NZZMRGDMSA-N 424.419 4.414 30 40 HIEB CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N 12874532 PUKVXHWGQLRSGR-YCRPNKLZSA-N 423.900 4.352 30 40 HIEB CCN(Cc1cccc(F)c1)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 14237113 NINPBUZVHJCKNP-UHFFFAOYSA-N 410.518 4.022 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc2c(c1)OCCO2 9577458 LHDVNFVRGIRWRM-UHFFFAOYSA-N 416.502 4.453 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1O 1531318270 CAHBNSFMUWYPBD-UFFVCSGVSA-N 420.694 4.353 30 40 HIEB Cn1c(-c2ccc(Br)cc2)cs/c1=N\N=C\c1ccc2c(c1)OCO2 16948649 GXJCFEGKYLJXJG-HXSLREHHSA-N 416.300 4.180 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc3ccccn23)n(C2CCCCC2)c1C 9834944 PETQLKPUYFDUBF-UHFFFAOYSA-N 408.531 4.255 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 20171323 NYEZKPLAJZOQGF-NRFANRHFSA-N 410.489 4.136 30 40 HIEB Cc1snc(SCc2n[nH]c(COc3cccc(C(F)(F)F)c3)n2)c1C#N 5721520 QZKVSTBNDAXZRO-UHFFFAOYSA-N 411.434 4.331 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2cc(-c3ccccc3)sc2c1=O 14199222 LEUVVAAKEWPYHX-ZDUSSCGKSA-N 411.552 4.070 30 40 HIEB Cc1c2c(cc3c1O/C(=C/c1ccc(F)cc1)C3=O)CN(Cc1ccccn1)CO2 57176063 IJPLESQQGDRUTA-UFFVCSGVSA-N 402.425 4.497 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102882413 BIHSNZDLVCXUDC-GHNGSUTGSA-N 410.882 4.418 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/O)(c5ccccc54)[C@H]3C2=O)c(C)c1 408729799 DEGSORCMBXZBAL-HOMVWHAGSA-N 422.484 4.314 30 40 HIEB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 408918585 MEMCZHOLCUXRLQ-NFJKTXFASA-N 410.860 4.305 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sc3c(c2c1=O)CCC3 784803 ULIRFFVKIICZKG-UHFFFAOYSA-N 415.515 4.003 30 40 HIEB O=C1C(=O)N(CCc2c[nH]c3ccccc23)[C@H](c2ccco2)/C1=C(\O)c1ccccc1 102715822 OSFGEYIACASMEU-HOGKFDNTSA-N 412.445 4.425 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1 4700701 RWCSFMJOBUBZGP-COPMAWBXSA-N 409.511 4.150 30 40 HIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccccc3OCC)C(=O)N2C)cc1 15010095 FBFXIXNNVFHJEV-UVOXWLTBSA-N 410.495 4.496 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1O 409411192 FNSWZIFFKASFLU-UHFFFAOYSA-N 418.881 4.360 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC(C)C 409285367 VVTBZPHSVDXOMO-UHFFFAOYSA-N 400.276 4.137 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 33733390 BTXZGJYOIJGIRO-QGZVFWFLSA-N 420.538 4.239 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/C23c4ccccc4[C@@H]4C2[C@@H]4c2ccccc23)cc1 43761628 JKCRTKWRONFTTP-XYJIEIDGSA-N 400.503 4.070 30 40 HIEB CCOc1ccc(/N=C2\NN=C(c3cc(C)n(C[C@H]4CCCO4)c3C)CS2)cc1 5692861 XFVBZNFJSRKAAO-LJQANCHMSA-N 412.559 4.411 30 40 HIEB COc1ccc(/C=N\Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1OC 31904625 QLOZLOBODCIGBE-GRSHGNNSSA-N 402.501 4.293 30 40 HIEB CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1 101503843 HJIZYKOTRVQSPO-HOGKFDNTSA-N 412.445 4.271 30 40 HIEB C=C(C)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCC4 2299642 RFCMSCCUIARGGG-UHFFFAOYSA-N 424.551 4.260 30 40 HIEB CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 4663683 MPGIKFGZUKJOPT-JJIBRWJFSA-N 407.539 4.324 30 40 HIEB N#CC1(C#N)[C@@H](c2cccnc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 4797284 FWYZPEJXKRUYAS-TZRRMPRUSA-N 402.457 4.366 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@@H]1c1ccccc1 5347463 VZBBKTGCCZMOGA-LJQANCHMSA-N 400.413 4.318 30 40 HIEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)/C=C1\NCCc2cc3c(cc21)OCO3 5429352 XNPLXHJDMLCGMR-RCEBRVLHSA-N 406.265 4.245 30 40 HIEB CCOC(=O)c1ccc(/N=C2/C(=O)N(CC)c3ccc(Br)cc32)cc1 6496962 IVOJUYNBYNRNSJ-HEHNFIMWSA-N 401.260 4.113 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 9358274 XHMNTGHSVPMOLT-HXUWFJFHSA-N 422.412 4.304 30 40 HIEB CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C#N)C1 16048046 OUAIXQYLQDJLAQ-UHFFFAOYSA-N 419.959 4.299 30 40 HIEB Cc1ccc(CN2CCN(/N=C/c3cc(Br)ccc3F)CC2)c(C)c1 20189755 RAPOAHJRFVLLAN-YDZHTSKRSA-N 404.327 4.357 30 40 HIEB NC(=O)COc1cccc(/C=C2\SC(O)=N\C2=N\c2cccc(C(F)(F)F)c2)c1 72400933 QVCPZFDGJJCEEE-NVNXTCNLSA-N 421.400 4.301 30 40 HIEB C=CCOc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222534183 FZOCSGUOCUZFBT-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB COc1ccc(-c2noc(C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)n2)cc1 609474835 NUSQKRMQELQHRV-UHFFFAOYSA-N 417.425 4.249 30 40 HIEB CC1=NN(/C(=N/c2nnc(C)s2)n2cnnc2)[C@H](c2cccc3ccccc23)S1 8448144 HTMMAZQUERQUQU-XENKUQMPSA-N 420.527 4.208 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1)c1ccccc1 6445928 KGWCWIFRWNGFDG-QHCPKHFHSA-N 423.472 4.384 30 40 HIEB CN(C)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1 18196519 AGPRNUJEBNNVRO-UGSOOPFHSA-N 406.511 4.201 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)sc1C 6812804 NWGABZPBNCRCDG-INIZCTEOSA-N 412.492 4.310 30 40 HIEB CSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 22608391 HWNNVSFVJOJAPH-RFAUZJTJSA-N 405.321 4.031 30 40 HIEB C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OCC 409099092 RXPBPQXEYTVXRS-RVDMUPIBSA-N 422.300 4.082 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(Br)c1O 408874099 YOVLIVLPYNPQDK-ZSOIEALJSA-N 423.263 4.194 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3cc(C)cc(C)c3)c(C#N)cc2c1 35312356 HJECUTXSLFODGD-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB CC(C)(C)OC(=O)NCCO/N=C(\CCCC(=O)O)c1ccc(C(F)(F)F)cc1 44136081 JACBIZCIQLDEBU-BUVRLJJBSA-N 418.412 4.206 30 40 HIEB in-vitro C=CCN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 224375976 KFHZUBXGKGKWIK-UHFFFAOYSA-N 418.518 4.271 30 40 HIEB C=CCc1ccc(OC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(OC)c1 41077670 QIKXSNNAFGLJTG-UHFFFAOYSA-N 400.431 4.311 30 40 HIEB CCOc1ccc(C(=O)/C=C/c2cn(CN3CCN(C)CC3)c3ccccc23)cc1 20533516 JUXHLKQLGSQYON-JLHYYAGUSA-N 403.526 4.141 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCC(=O)O 999903 DEVJSONDEFEPRW-UHFFFAOYSA-N 423.509 4.123 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)cc1OC 4435903 AEBJVLGJEBEUDA-HJPURHCSSA-N 416.481 4.019 30 40 HIEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 4538754 UMUATOUXXLBDFU-JLNKFBCHSA-N 417.534 4.425 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1Cl 6662065 MGIINRVQHAWPAC-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1ccccc1 9448708 UAPGDYVWNISVML-UHFFFAOYSA-N 422.510 4.039 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 9981833 YGNBZQRAIYJIOM-UHFFFAOYSA-N 417.825 4.065 30 40 HIEB Oc1ccc2ccccc2c1/C=N\NC(=S)N/N=C/c1c(O)ccc2ccccc12 17312285 VEMDZVIIABTOEZ-LZCXMDQRSA-N 414.490 4.236 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccs1 19848958 DYYRAFZHYKLLMU-IVZQSRNASA-N 409.507 4.291 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 19973643 SHJNDOQZSDJRLD-UHFFFAOYSA-N 407.510 4.457 30 40 HIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccc(OC)c(OC)c2)c1C 20196218 HXHRZKZYRFHCMP-CVKSISIWSA-N 421.497 4.022 30 40 HIEB O=C1/C(=C\Nc2ccccc2F)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 20558868 SGWNPQQOXYEUDA-KGENOOAVSA-N 408.454 4.312 30 40 HIEB COc1ccc(CCNC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1OC 100943145 BBZRXZXRTLCYIO-UHFFFAOYSA-N 413.473 4.326 30 40 HIEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 113480568 UJGVESCAOFCVEI-CQSZACIVSA-N 419.293 4.308 30 40 HIEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 224727023 QDHYNDALTSIXCD-UHFFFAOYSA-N 424.316 4.007 30 40 HIEB Cc1nnc(S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)O)o1 408633461 YSUMYENZXQTMLV-JMIUGGIZSA-N 416.462 4.471 30 40 HIEB CC(C)/N=C1\S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1C(C)C 409201390 MQCZECAEOBRORA-WRXDETALSA-N 411.321 4.267 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 1506011 FTDSEZIAMKBRFG-ZKKFKWFVSA-N 413.860 4.090 30 40 HIEB biogenic COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)cc1OC 4516887 JCTRCLALPLMZFK-UHFFFAOYSA-N 410.861 4.387 30 40 HIEB CC(C)c1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)n2)cc1 12695571 NCYJNOVKVWFQJO-CQSZACIVSA-N 420.542 4.160 30 40 HIEB C/N=c1\scc(-c2cc3ccccc3o2)n1/N=C/c1ccc(N2CCOCC2)cc1 14360379 BGCBDZISADHPIU-MRXBSHPUSA-N 418.522 4.212 30 40 HIEB CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C#N)cc1 30881988 OATVIFYZJOGUCO-VABKMULXSA-N 424.589 4.127 30 40 HIEB biogenic,in-vitro N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 32656974 BDZPXMRVTYPHEG-IBGZPJMESA-N 416.481 4.216 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 33783233 KUTPEGNJPVYYQL-AFUMVMLFSA-N 421.497 4.450 30 40 HIEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3ccc(F)c4cccnc34)c2)n1 69351675 PSXWNUMHNKRICI-UHFFFAOYSA-N 403.461 4.073 30 40 HIEB C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(O)c1 100249818 NFZWXLVNIZVLPV-PLJYQOKSSA-N 414.461 4.449 30 40 HIEB CCOc1ccc(C(=O)O)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408528955 FXMJFBNMPWCCMV-YBEGLDIGSA-N 402.859 4.329 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)S2)cc1 408743371 WCBFDHPDRHCOCH-NVNXTCNLSA-N 419.846 4.244 30 40 HIEB COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccco3)sc2c1 796044 MRSKVEACKBYWBY-KRWDZBQOSA-N 422.418 4.274 30 40 HIEB C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1F 3284180 DRMCQSWACSSRFP-UHFFFAOYSA-N 412.490 4.393 30 40 HIEB O=C1Nc2ccccc2/C1=N/c1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 4917782 WQFJCDZJUSUPPF-UHFFFAOYSA-N 401.809 4.214 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OC)cc1 4919732 UDDBGFGIXKNNJO-WMZHIEFXSA-N 410.466 4.032 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3[nH]2)n(Cc2ccco2)c1C 5165163 RLXLWWRSAVDOSZ-UHFFFAOYSA-N 405.483 4.225 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 6901153 MMURDXBMNQFPOY-VBQJREDUSA-N 419.978 4.269 30 40 HIEB COc1ccc([C@@H](Cc2ccccc2)N(C)/C(O)=N/S(=O)(=O)c2ccccc2)cc1 8828130 CYVXRZGRCLSCNF-JOCHJYFZSA-N 424.522 4.214 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccc(F)cc1 9265657 QQOPXUFHRCOWTP-WJGQKVTCSA-N 411.502 4.286 30 40 HIEB COc1ccc(OC)c(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn23)c1 15961115 JZEOFHUUMSAGFZ-ZVHZXABRSA-N 403.438 4.483 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\S/C(=N/c2cc(C)cc(C)c2)NC1=O 59426844 HBPZWVQHXCJMPE-GEBKJHSDSA-N 404.495 4.077 30 40 HIEB Fc1ccc(/C=N\NC(=N/N=C\c2cccc(F)c2)N/N=C\c2ccc(F)cc2)cc1 100930565 SOXYHWWMZWJXHQ-BBROENKCSA-N 422.414 4.041 30 40 HIEB C=CCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 408617915 HSQXOCSJNKMUTL-UHFFFAOYSA-N 422.506 4.085 30 40 HIEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 2096275 IYAOGRVLVMBETK-WIOPSUGQSA-N 413.521 4.162 30 40 HIEB biogenic Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1C 4849096 PKRZHQAPZBWOLV-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC(C)C 7333720 XKENNQMMHKDZMF-GQCTYLIASA-N 401.846 4.363 30 40 HIEB C=CCN(C(=O)c1ccc(C)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 13110257 QTZNKKKLFXXKJU-UHFFFAOYSA-N 418.565 4.416 30 40 HIEB COc1ccc(/C=N\Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 31857580 NKZFEUMNXCVOLZ-MYYYXRDXSA-N 408.465 4.482 30 40 HIEB N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSCc1ccccc1)CCCC2 33143950 AESRWKCBXRLUOD-GOSISDBHSA-N 409.555 4.289 30 40 HIEB CCc1nn2c(/C=N/NC(=S)NCc3ccccc3)c(-c3ccccc3)nc2s1 41074151 NZKZZQRTRRDESM-OEAKJJBVSA-N 420.567 4.018 30 40 HIEB CCOC(=O)C1=C(C)N=C2Sc3cc(C#N)c(C#N)cc3N2[C@@H]1c1ccccc1 66089287 LYFRHYDRYBHKLP-HXUWFJFHSA-N 400.463 4.290 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 409238512 AOEVDEJUKBZIMT-WOJGMQOQSA-N 415.276 4.407 30 40 HIEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C/c2ccccc2OC)C1=O 4688350 WGVZMYXTJCOCEK-QGOAFFKASA-N 411.479 4.247 30 40 HIEB Cc1oc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(C#N)c1C 14408842 JTYVEPJMPQREAQ-LSHDLFTRSA-N 422.401 4.438 30 40 HIEB CC1=C(C(=O)OC(C)C)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19770493 ZODWQFAIAWXTOV-KOSHJBKYSA-N 402.494 4.395 30 40 HIEB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(C#N)c1 40143485 JOGCMQYRHSVGEW-UHFFFAOYSA-N 424.254 4.443 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 62001387 NWNYZYHPAOVPEU-UHFFFAOYSA-N 421.493 4.314 30 40 HIEB biogenic O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)sc1Cl 84451623 DHIPPOTWXZJGGC-DUXPYHPUSA-N 420.295 4.185 30 40 HIEB C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCc2ccccc2)C1 102680862 KZKWECNOANXDFR-BJLQDIEVSA-N 413.525 4.036 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1C 102804875 VXTZORNVMFNAQG-JBCNATCCSA-N 418.449 4.235 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)no1 102887098 YQOHRHANIVTCSZ-NHFXJNLRSA-N 400.390 4.356 30 40 HIEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223926022 FSUKPOUZIRRJPO-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc12 5100888 SVTUXIJCKSMVCC-XIXVAHAYSA-N 420.904 4.231 30 40 HIEB N#CCn1c(CSc2nc3ccccc3[nH]2)nc2sc3c(c2c1=O)CCCC3 6648835 MYNRGXQWNPUEQG-UHFFFAOYSA-N 407.524 4.029 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 9324637 UOJRDEIUMARCGB-LJQANCHMSA-N 409.825 4.417 30 40 HIEB C=CCOc1c(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cccc1OC 12344877 USBBMRZVOVWDIF-UHFFFAOYSA-N 412.505 4.027 30 40 HIEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(C(=O)OC)cc3)C(=O)N2CC)cc1 97464901 NBZOESCPMYMBRW-UVOXWLTBSA-N 410.495 4.496 30 40 HIEB C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224874614 JPIHSDDTLGESCD-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1 4103203 REDWOKIPBOARTP-MRXNPFEDSA-N 419.275 4.224 30 40 HIEB COc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)ccc1OCC(C)C 5560603 ZKJOKMRLTRFVBL-PDGQHHTCSA-N 405.450 4.473 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5931337 ITVFMEDENRGAKJ-WBMJQRKESA-N 410.543 4.256 30 40 HIEB N#Cc1ccccc1CSCCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 6586306 JXPSIPVCNFMHDN-UHFFFAOYSA-N 416.959 4.230 30 40 HIEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc(NC(C)=O)cc3)c(=O)oc2c1 7039530 VNBZJCUJPISTEQ-MDWZMJQESA-N 404.466 4.494 30 40 HIEB CCc1ccc(-c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)cc1 7286619 JFHVTPULGVGNIO-UHFFFAOYSA-N 406.511 4.121 30 40 HIEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)c1 12418349 WKXZSGPHASOJIQ-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1nn(C)c(=O)c2ccccc12 12539864 CDGXNEFBZCLINS-VHXPQNKSSA-N 420.538 4.324 30 40 HIEB CCCCc1nc(NCCNC(=O)c2ccco2)c(C#N)c2c1CSC(C)(C)C2 13116123 QDUBBQJWXKRPQM-UHFFFAOYSA-N 412.559 4.299 30 40 HIEB C[C@H](NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1)c1ccccc1 15859832 YUTBSNGEKLSJCZ-ZDUSSCGKSA-N 424.913 4.344 30 40 HIEB C=CCOc1ccc(CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 22609212 JITDHRKEAGOUFH-UHFFFAOYSA-N 412.489 4.378 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 102874135 SIOVVQCRQGUEPH-GROYHEBESA-N 406.265 4.062 30 40 HIEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[N+](=O)[O-] 409279021 HNDUUEKKJLPBSN-UHFFFAOYSA-N 415.247 4.073 30 40 HIEB Cc1nc(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)c(C#N)c(C)c1Cl 1889201584 MPDWUGMBJLBBKE-UHFFFAOYSA-N 421.932 4.158 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 8158255 OOVMHMPUPUZVOP-UHFFFAOYSA-N 416.477 4.313 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(SC)cc2)cc1 9012803 NYFYBTMDVDUYMS-ZHRRBRCNSA-N 418.522 4.424 30 40 HIEB CCOC(=O)Cn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 9261264 ORZQIXCOLNRLLW-YBFXNURJSA-N 423.469 4.235 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 19848734 KZGHZWPXMAUULO-BTYIYWSLSA-N 409.507 4.378 30 40 HIEB O=C1C(O)=C(c2ccccc2)[C@]12CS[C@@]1(CS2)C(=O)C(O)=C1c1ccccc1 28087498 ODTMCQFJRBEHHM-FGZHOGPDSA-N 408.500 4.048 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3cccc(F)c3)cc2-c2ccccc2S1(=O)=O 33271926 IVJHZHBHDJDRNV-UHFFFAOYSA-N 408.454 4.440 30 40 HIEB Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)cc2)cc1 112264035 CXJSORNMRRPLDY-RSVLZFJFSA-N 400.478 4.105 30 40 HIEB N#CCc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1 828289 SWKHEOAGVSIPIR-UHFFFAOYSA-N 410.065 4.236 30 40 HIEB COC(=O)c1cc(/N=C/C(Br)=C/c2ccccc2)cc(C(=O)OC)c1 3237922 OMIORZSFDDAJEO-ZNFQVETBSA-N 402.244 4.398 30 40 HIEB C=CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 4074113 OMCAHGFOGWXCSS-XDHUDOTRSA-N 419.912 4.039 30 40 HIEB biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC)c(OC)c1 5646144 NOPYJQVACUVCAC-OAQYLSRUSA-N 419.477 4.225 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O 8282387 JQRLUYHMPWFKRF-HOTGVXAUSA-N 405.523 4.041 30 40 HIEB COc1cc(Br)c(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc1O 14187985 VMTSATPHSLIGLA-HWKANZROSA-N 405.244 4.221 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CC2)C1 19235449 QLCVTPWBEOLJOT-AREMUKBSSA-N 402.538 4.135 30 40 HIEB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@@](C)(C#N)C(C)C)n2n1 21722531 GLIRXEZUBSCVCI-QFIPXVFZSA-N 407.543 4.160 30 40 HIEB N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 27748735 CXSHADRGBLCOMI-FQEVSTJZSA-N 408.889 4.352 30 40 HIEB C#CCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 408875612 KQXGVEPNKJLHQA-UHFFFAOYSA-N 422.440 4.282 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2ccc3ccccc3n2)sc2c1CCCCC2 2627154 BJEMRBPNYDYUDH-UHFFFAOYSA-N 405.479 4.232 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102401937 RCRRFVAJLGHSBE-MRJHHRETSA-N 402.450 4.420 30 40 HIEB Cc1cc(NC(=O)[C@@H](C)SC/C(O)=N/c2ccccc2N2CCCCC2)no1 12527272 RWRWTTSPRLABMC-OAHLLOKOSA-N 402.520 4.322 30 40 HIEB O=c1oc2ccccc2c(O)c1[C@@H](C/C(CCN1CCCC1)=N\O)c1ccccc1 104295920 WGWBUASVGLDXKO-FVBVXOILSA-N 406.482 4.337 30 40 HIEB Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1-c1ccccc1 3355316 BEYDWOKRFJDEPL-UHFFFAOYSA-N 411.918 4.268 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)S/C1=N/c1ccc(OC)cc1 409237951 KMQJDABGFFOAKG-BUUFFXLRSA-N 423.538 4.156 30 40 HIEB Cc1ccc(NN=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C 5518323 FZRHBUIMAGELGF-UHFFFAOYSA-N 412.449 4.271 30 40 HIEB CCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccccc1OC 96837277 YHKOJOJDJRRQNH-JQBIEYAESA-N 415.490 4.205 30 40 HIEB C#CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 72268251 CWJODDXRVLRTDT-HSZRJFAPSA-N 404.510 4.002 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)n1-c1cccc(Cl)c1 408588801 JSZMLHAMOIEYJL-AJPRLUCXSA-N 407.901 4.279 30 40 HIEB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=S)Nc2ccccc2)cc1 408962696 ZZZFBMYJGWNXEP-UCQKPKSFSA-N 405.479 4.284 30 40 HIEB COCCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S/C1=N\c1ccccc1 16194363 HUGWIIADDWFUPY-BLOQEJBCSA-N 419.506 4.433 30 40 HIEB CN(C)c1ccc(/C=N/N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 1737191 TWESMUXYFSDURT-QTLAEQSKSA-N 410.568 4.054 30 40 HIEB C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 2749710 NIXSTHLHKXLXHM-UHFFFAOYSA-N 413.934 4.460 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2sc(CC)cc2c1=O 3450595 RWQOKWNSQIOGEY-AWEZNQCLSA-N 413.568 4.350 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(Cl)c1 4943492 RBXJTMXJJPQHRT-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB C=C(C)COc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 5120512 GGZURGHIZXJFCS-ZOGNMOHXSA-N 404.510 4.287 30 40 HIEB COc1ccc(/C(=N\OC(=O)c2ccco2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 5526812 YSKMMBKDDLGVEC-PQJVWRHUSA-N 405.406 4.382 30 40 HIEB CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 5923771 QHUPJFKVRBAYIF-OAHLLOKOSA-N 401.919 4.490 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 9244009 IGYJZJDFYWTTTN-OAQYLSRUSA-N 418.449 4.473 30 40 HIEB CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@H]3CC[C@@H]2N3C)cc1 17193591 MYNBPVFKCVOBPM-HPVAHFKZSA-N 401.554 4.331 30 40 HIEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294123 YSVDKBMSNIWAGB-YDJIHCHBSA-N 420.421 4.076 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(F)c2)cc1C 102875773 HNUXTQFQOQRQLY-GHNGSUTGSA-N 424.453 4.226 30 40 HIEB CCN1CC[C@](O)(/C=C/c2ccc(OC)cc2)[C@H](C(=O)/C=C\c2ccc(OC)cc2)C1 104300655 JYLZSDOALDKVPO-YKFWBOQCSA-N 421.537 4.072 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 169700621 BGFMZHZMLGPJJN-BIHLRDOXSA-N 420.896 4.450 30 40 HIEB CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)ccc1O 408753409 PLMISTZNEFVADG-LZYBPNLTSA-N 419.846 4.244 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408937196 IKFAVDNLQRVXNB-VIZOYTHASA-N 402.790 4.152 30 40 HIEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409377733 JIPNEAORWOBXGA-OYKKKHCWSA-N 419.437 4.471 30 40 HIEB CCCCn1cc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c(C)n1 585295016 YENJMWSQVPJORT-JOCHJYFZSA-N 416.533 4.129 30 40 HIEB Cn1ncc(/N=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 3062998 OJUYSSKUTXZCFS-AUEPDCJTSA-N 417.347 4.350 30 40 HIEB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/N1C(=O)c2ccccc2C1=O 3574508 QWEPGLCREMHJFQ-AUEPDCJTSA-N 413.264 4.177 30 40 HIEB COc1ccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)c(OC)c1OC 4944885 PYDPBLLKHMRXFO-QGZVFWFLSA-N 407.466 4.240 30 40 HIEB COc1ccccc1NS(=O)(=O)c1cc(NC2=CC(=O)CC(C)(C)C2)ccc1C 6550624 YSKWHZICTYTUID-UHFFFAOYSA-N 414.527 4.489 30 40 HIEB CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccccc3Cl)n2)cc1 13597442 ZWLQBPGUCGUNSE-RGVLZGJSSA-N 420.947 4.160 30 40 HIEB O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1F 33740085 JYIOYUIOTDDZHW-LWDUESRBSA-N 414.396 4.496 30 40 HIEB Oc1ccc(Br)cc1/C=N\Nc1ncnc2sc3c(c12)CCCC3 47163641 IVPIUFMCWAHSQR-WNFQYIGGSA-N 403.305 4.484 30 40 HIEB CCc1ccc2c(c1)/C(=N/N=C1/c3ccccc3-c3nc4ccccc4nc31)C(=O)N2 59488024 PYJPSZSJMWQPCA-IADYIPOJSA-N 403.445 4.366 30 40 HIEB CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253505031 HKTPWOIJKNNTFE-XQXBWCIJSA-N 414.615 4.167 30 40 HIEB O=C(Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21)NCc1ccccc1 409123425 GYQXXPPOFRSLFV-UHFFFAOYSA-N 420.468 4.420 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2OC)S/C1=N\c1ccccc1 992111 FHTZAWCQVARTFJ-VLZBMTSBSA-N 409.511 4.150 30 40 HIEB Cc1ccc(OCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 3351774 WJOMQSHAYYONJB-HNNXBMFYSA-N 412.511 4.004 30 40 HIEB CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O 5164197 BUTMJEHOMIBVAX-MFOYZWKCSA-N 403.228 4.389 30 40 HIEB CC1(C)CC(=O)C=C(NC[C@@H]2c3ccccc3CCN2C(=S)NC2CCCC2)C1 8717074 GLMDWTVKRSKELQ-JOCHJYFZSA-N 411.615 4.266 30 40 HIEB O=C1C(N2CCN(Cc3ccccc3)CC2)=C/C(=N\c2ccccc2)c2c(O)cccc21 13687975 QEZVGERZYNRMKL-WEMUOSSPSA-N 423.516 4.411 30 40 HIEB Oc1c(/C=N/C[C@@H]2CCCO2)c(-c2ccccc2)nn1-c1nc2ccccc2s1 18028589 NJCCJXFZGQSHMD-YQCVNYCESA-N 404.495 4.453 30 40 HIEB COc1ccc(NC(=O)NCCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312784 OUFBLXOODGRPRU-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB C=C(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 95671221 NXXLJYKBWCZXMD-UHFFFAOYSA-N 404.122 4.454 30 40 HIEB N#Cc1cn(C(=O)c2cc(I)ccc2Cl)c2ccccc12 226361478 QBLLXBPKKDXZAE-UHFFFAOYSA-N 406.610 4.459 30 40 HIEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cccc1OC 408534033 SBQWXTZQHZPIIU-UNOMPAQXSA-N 406.463 4.368 30 40 HIEB C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)ON=C1C 409086877 BPMVYOYNBVAJHG-WDZFZDKYSA-N 401.054 4.093 30 40 HIEB C=CCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\N=C\c1ccc(O)cc1 936611 LIVUXEOENXWQBY-FPCXVXRHSA-N 408.483 4.221 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 4661076 UFQPFUUVYXYCTG-XGHAMVSDSA-N 409.511 4.163 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1F 4681869 NCYGSYMMTNQAIH-DJUDNFEDSA-N 401.438 4.111 30 40 HIEB C[C@@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 8991537 OKCNWBDKJUXBBA-SRKDWSFESA-N 420.490 4.226 30 40 HIEB C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 16753534 BGDNHELGNRIEEC-QHCPKHFHSA-N 424.456 4.498 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 17160515 GVMCKZDGEGXDPD-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB C/C(=N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)c1ccc(Cl)cc1 59475404 CEOIJKDKRQHHJD-SFNCEYTJSA-N 415.902 4.352 30 40 HIEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 224109092 NEUZDHFAVOIGGE-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OCC)cc1 224602513 VIYSGVQMRABINY-UHFFFAOYSA-N 414.296 4.368 30 40 HIEB Cc1cc2c(cc1/C=C1\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC1=O)OCO2 408990827 OIRVTYAXILMALT-WSVATBPTSA-N 411.439 4.140 30 40 HIEB CCOc1ccc(/C=C/C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280465 KVABLDHEQSMFLE-VHTFYLNKSA-N 424.517 4.169 30 40 HIEB biogenic CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 4996896 UUNZZQDVXLRECN-COPMAWBXSA-N 411.527 4.292 30 40 HIEB O=[N+]([O-])c1ccc(-c2cs/c(=N/N=C/c3cccnc3)n2-c2ccccc2)cc1 5242402 RQTQMGAVQWWMFJ-LGLHSBMDSA-N 401.451 4.444 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)no1 6565261 QZUOEUALSYUYLW-MRXNPFEDSA-N 400.843 4.481 30 40 HIEB COc1cc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC#N 6790784 CVQNEAPMBLZMQL-XBXARRHUSA-N 401.260 4.320 30 40 HIEB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N 8156276 ZSVLULBLCNCOAV-SNVBAGLBSA-N 401.542 4.394 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(OC(F)(F)F)cc1)n1ncnc1N2 18200766 RTODCIKGLYGBPH-KZULUSFZSA-N 416.359 4.185 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 102928895 QWIYDMQGHKVWSF-JBCNATCCSA-N 400.434 4.025 30 40 HIEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)cc1 223762315 POWBMRAXKUKWBW-PYCFMQQDSA-N 416.344 4.290 30 40 HIEB COc1cccc(COc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)c1 225847361 LFPWXQQALGGCJV-UHFFFAOYSA-N 403.269 4.280 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 408616708 BGVLMLRHCIJZBT-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OCC#N 408846315 ILHYOAWQWVPBSF-MOSHPQCFSA-N 423.494 4.196 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC 409324967 VQNSEPIQADXSTQ-ZDUSSCGKSA-N 401.308 4.376 30 40 HIEB C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2cccc(C#N)c2)cc1 611821257 ZPAMVJZVHCZGMJ-MRXNPFEDSA-N 410.477 4.394 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 5446198 AGEZSNCWLWIBNV-OXJNMPFZSA-N 411.885 4.406 30 40 HIEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCc1ccccn1 9483267 PDVUHOCAVWZWAL-HXUWFJFHSA-N 418.541 4.052 30 40 HIEB Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 9631791 WFBAJUNXLSIHPJ-UHFFFAOYSA-N 418.309 4.391 30 40 HIEB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 12785930 SWMNQTVRVVSVCI-UHFFFAOYSA-N 411.427 4.349 30 40 HIEB O=C1COc2ccc(C(=O)/C=C/c3cc(Br)ccc3OC(F)F)cc2N1 18917974 NXFGSXFLCHUQGZ-DAFODLJHSA-N 424.197 4.278 30 40 HIEB C=CCN1c2ccc(C(=O)NCc3ccccc3C)cc2-c2ccccc2S1(=O)=O 33271910 SQLUKVXXHGRYNX-UHFFFAOYSA-N 418.518 4.287 30 40 HIEB COc1ccc(OC)c(C(=O)/C=C/Nc2ccc(I)cc2)c1 51318562 JSZXPVIIGZMNBU-MDZDMXLPSA-N 409.223 4.117 30 40 HIEB COc1ccc(C)cc1CO/N=C(\N)c1ccc(Cn2cnc3ccccc32)cc1 62582056 KPLTXVADFBXRLY-UHFFFAOYSA-N 400.482 4.239 30 40 HIEB CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(C#N)cc1 83868034 NMSIFZCCZVCPSX-UHFFFAOYSA-N 424.254 4.443 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100302795 YBNSKGUKYSIPSP-VPCKGVDFSA-N 400.478 4.014 30 40 HIEB COC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccc(C)cc23)C1=O 103441662 XYEXLGQIKUTSHR-XUKXGFMLSA-N 421.522 4.214 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)cc1 110701479 AUPWZNSHDHACTB-XSFVSMFZSA-N 411.527 4.442 30 40 HIEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc(OC)c2O)sc2c1CCN(C)C2 2266367 VJFQHMSEXXPMRU-ZVBGSRNCSA-N 408.907 4.031 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 9171064 NOPAWWZRHHWSNL-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(CC#N)cc1 10314818 MKTPCJWZDPGBOI-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@H]1COc2ccccc2O1 12876173 XHWJEUDZOHYBMJ-CZUORRHYSA-N 413.503 4.336 30 40 HIEB CN1/C(=C\C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C(C)(C)c2ccccc21 22918019 KUUHKHLMBBIGFH-XWRWGNRUSA-N 415.581 4.198 30 40 HIEB O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)c(Br)o2)c1 408588649 CCMKBTZZVHNZGF-GIDUJCDVSA-N 404.014 4.264 30 40 HIEB CCOc1ccc(Br)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408753570 GMLMCPADRLQMKD-RQZCQDPDSA-N 409.196 4.110 30 40 HIEB Cc1c(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cccc1C(=O)O 408855144 CNEDMNKGMNLPSV-BHGWPJFGSA-N 420.421 4.248 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(C(F)(F)F)c1 409284240 USZYQBVGNWOLTL-UHFFFAOYSA-N 410.193 4.368 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1C 2214351 HLCXBECAVWFLIV-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 2440850 MDQNTWSPJZSOSR-QRWLVFNGSA-N 424.501 4.044 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(OC)c2OC)C1=O 4548186 TWYKTUFLLNLRLR-LGMDPLHJSA-N 411.479 4.247 30 40 HIEB C=CCN(Cc1cc(OC)ccc1OC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 5347927 STLVTBJNDHTODG-UHFFFAOYSA-N 410.470 4.031 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccs1 9414359 XPAWHNDPVAWBOL-LJQANCHMSA-N 415.511 4.150 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccoc1C 12564498 WWVWDZFPWLLDJV-UHFFFAOYSA-N 423.542 4.364 30 40 HIEB COc1cc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc(OC)c1OC 13689799 ANHMQWGEAPZUHJ-YBEGLDIGSA-N 404.875 4.257 30 40 HIEB COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 16995740 PFJDADSLLGBQOU-BIXBROTJSA-N 421.444 4.268 30 40 HIEB COc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 32984203 BEGKYGYUJSMQJR-UHFFFAOYSA-N 409.438 4.484 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S1)C2 101084801 IQUGJIVYYGPFAC-YQWODECJSA-N 401.507 4.188 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1 104096816 CGJMHGUAROYXKN-YDJIHCHBSA-N 418.380 4.360 30 40 HIEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4[C@H](C[C@]3(C)O)O[C@H](O)[C@@]43O[C@@H]3C[C@H]12 1772591280 QYDMROXJZOKPRP-JSSABXNZSA-N 404.591 4.437 30 40 HIEB CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1 849292 ZXNUUBZDMKXHKN-VLZBMTSBSA-N 411.527 4.292 30 40 HIEB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 5652730 AFOHYNLNZJESFY-UHFFFAOYSA-N 407.253 4.204 30 40 HIEB CC/N=C1\S[C@@H](Cc2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1CC 6348072 LSAVVCOVUXDRFC-KFHWJWAOSA-N 423.538 4.028 30 40 HIEB COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 6499319 WZWZTOFQORFDPZ-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1NS(=O)(=O)c1ccccc1 10314697 QFBOKRJOCZRJSA-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(C#N)ccc3F)c12 10776058 VNCBAEWRCGYGAF-UHFFFAOYSA-N 400.413 4.312 30 40 HIEB N#CCCN(Cc1cccnc1)Cn1nc(Nc2ccccc2F)sc1=S 12970811 MVNACJJWLOTUHL-UHFFFAOYSA-N 400.508 4.325 30 40 HIEB COc1cc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(Cl)c1OC 14359797 KUYYZSGVSYJICD-WGTFOYBGSA-N 402.878 4.074 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)n1nc(SCc3ccccc3F)nc1N2 17177807 OMWYHXMFDUKTES-HXUWFJFHSA-N 422.485 4.437 30 40 HIEB COc1ccccc1CN/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 20763070 HTKKVLMIGGRGLL-SRZZPIQSSA-N 407.308 4.377 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3ccccc3OC)cc2-c2ccccc2S1(=O)=O 33271906 SRCMPEJMXZOQOH-UHFFFAOYSA-N 420.490 4.309 30 40 HIEB COc1ccc2nc(NCCCNC(=S)Nc3ccc(F)cc3)c(C#N)cc2c1 35312367 NWHLJOHABINFKF-UHFFFAOYSA-N 409.490 4.043 30 40 HIEB CC(C)=NNc1nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2s1 57354552 LBXMFINXUOYWNU-UHFFFAOYSA-N 407.543 4.375 30 40 HIEB Cc1ccc2[nH]cc(CCN3C(=O)/C(=C\C(=O)O)S/C3=N/c3ccccc3)c2c1 101379839 JMZQOFSDGRXRTG-DBPHPPTCSA-N 405.479 4.250 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1C 102805400 VTTJVFBBZNGIMP-YDJIHCHBSA-N 422.412 4.065 30 40 HIEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Br)cc2)c1 216899287 FPCANMGOJGQCMI-YRNVUSSQSA-N 401.256 4.226 30 40 HIEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 225725241 WPVIEVLPISEOMO-LJQANCHMSA-N 404.557 4.093 30 40 HIEB O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1ccc(F)cc1 408750311 ZTSSUGITDXHBIF-RIYZIHGNSA-N 424.238 4.322 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 4944146 TXEVVKRLZAVFHZ-WHEQGISXSA-N 405.473 4.382 30 40 HIEB COc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)oc1ccccc12 5165136 KLOLRKBTFMNGHQ-UHFFFAOYSA-N 415.449 4.343 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccncc1)c1cc2ccccc2o1 6080265 DCWIFGZOTZHSQS-NRFANRHFSA-N 411.417 4.001 30 40 HIEB N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7217768 OQKIOFBBSDKDBH-IBGZPJMESA-N 407.520 4.211 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846041 WHLMRCATEYFITR-HSZRJFAPSA-N 424.456 4.498 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 9419306 WEYMHVOONRQRQD-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(OC(F)(F)F)cc1)n1ncnc1N2 18200771 RTODCIKGLYGBPH-SGTLLEGYSA-N 416.359 4.185 30 40 HIEB C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)ccc1OC 95481209 NQNUPVVFRQYPJU-GOSISDBHSA-N 403.438 4.025 30 40 HIEB CC(C)(C#N)c1ccc(-n2c(=O)[nH]c3nc4ccc(Br)cc4cc32)cc1 214465390 LXMBBHONTXLDQN-UHFFFAOYSA-N 407.271 4.431 30 40 HIEB Cc1cc(I)ccc1/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1 408849287 VWEDNSGCGXQJOS-ZTPSMGMTSA-N 409.223 4.202 30 40 HIEB CC1=NOC(=O)/C1=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 408942960 RHCOWZYOSHUPAA-CPNJWEJPSA-N 407.447 4.232 30 40 HIEB COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4)nc3C#N)CC2)cc1 934591 UHCIAOYLIWAFOF-UHFFFAOYSA-N 424.888 4.114 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 1817150 KIEIPNZEYMBZJS-OKEOATJYSA-N 414.796 4.086 30 40 HIEB COc1ccccc1N(CCC#N)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 2621275 OBCVFJHWOXDCRJ-UHFFFAOYSA-N 400.891 4.264 30 40 HIEB C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1cccc2ccccc12 4737602 PWXNCIWUMOPKNK-XIEYBQDHSA-N 415.545 4.451 30 40 HIEB CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)CC1 5025190 VECNAZHXJOSSLT-LJQANCHMSA-N 400.482 4.217 30 40 HIEB N#Cc1oc2ccccc2c1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 6943117 LHFZYNMSPWTKNR-UHFFFAOYSA-N 402.328 4.048 30 40 HIEB C=CCNC(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C 7119787 KMBFNVSWRPOAML-AWEZNQCLSA-N 411.552 4.094 30 40 HIEB CCN1C/C(=C/c2ccc(OC)c(OC)c2)C(=O)/C(=C/c2ccc(OC)c(OC)c2)C1 16407937 SYNCWLVIOGZJCG-UHWBUFEVSA-N 423.509 4.093 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccc(F)c4)CC3)o2)cc1 21799531 KKAJAGCJQUSEBF-MDZDMXLPSA-N 416.456 4.127 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc3cccc(OC)c3o2)C1=O 96919990 AMFLMBNKIOCFOL-AQTBWJFISA-N 405.406 4.268 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1O 100765450 IURQOJBLZMDDEA-SFTDATJTSA-N 409.526 4.153 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 110701586 DVMKFZONUBJAHV-XSFVSMFZSA-N 411.527 4.442 30 40 HIEB C=CCN(Cc1ccc(C(=O)N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 224473334 WJPIAUJWQNEDRN-UHFFFAOYSA-N 420.534 4.340 30 40 HIEB C=CCSc1nnc(NC(=O)CSCc2ccc(Br)cc2)s1 225694091 OZPWJWSUCVEPOG-UHFFFAOYSA-N 416.391 4.451 30 40 HIEB COc1cc(/C=N/Cc2ccc(C(=O)O)cc2)ccc1OCc1cccc(C(=O)O)c1 408852313 SIYIATXSAMKNLL-AFUMVMLFSA-N 419.433 4.290 30 40 HIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OCC 408936571 GRGJODQPYNUYSC-GRSHGNNSSA-N 408.798 4.400 30 40 HIEB N#Cc1c(NC(=O)c2ccccc2I)sc2c1CCCC2 1056425 XCHMVUCBIFRGTM-UHFFFAOYSA-N 408.264 4.355 30 40 HIEB CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4060434 MLLJUIBYSLKTGY-NRFANRHFSA-N 413.514 4.261 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 8827561 YOIUGFHYRTXMDK-FQEVSTJZSA-N 420.421 4.232 30 40 HIEB Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3/N=C/c2ccco2)cc1 9215727 HGUCUYVTCXHVBO-LGJNPRDNSA-N 420.432 4.067 30 40 HIEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OC)c1O 9311531 NHROIDQBWYZFLQ-MIIQOVFOSA-N 424.522 4.380 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 13671134 BAJPDNSMZVFCIA-KRWDZBQOSA-N 414.571 4.427 30 40 HIEB CCCC/N=C1\S[C@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1CCCC 17085138 CHEXLAHPXXNYEQ-UGNPLGLKSA-N 405.564 4.232 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3cccc(F)c3)CC2)nc1 45514774 ICGVKIREDHDJLQ-UHFFFAOYSA-N 404.445 4.135 30 40 HIEB Cc1cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(F)cc32)ccc1Br 223753205 RUMQAQCAZGZSGJ-XLNRJJMWSA-N 420.307 4.175 30 40 HIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226329211 RLCLMPLPJBBSLJ-UHFFFAOYSA-N 409.663 4.480 30 40 HIEB O=C(COc1ccccc1C=C1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1 408911807 ONKZTIXKHGPJKS-UHFFFAOYSA-N 401.393 4.306 30 40 HIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3O)cc12 409295340 DUBNHQCHFZNFBJ-UHFFFAOYSA-N 411.417 4.406 30 40 HIEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(O)c(C(=O)O)c3)c2)cc1C 409381125 FMFMVKQPIVJPHX-MXAYSNPKSA-N 418.449 4.475 30 40 HIEB OC1(CC#CC[N+]2(Cc3ccccc3)CCOCC2)c2ccccc2-c2ccccc21 1904154 QJHSVHDGPMPKHD-UHFFFAOYSA-N 410.537 4.344 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cc2ccccc2o1 15867342 NMXDWLGYJWBQRF-UHFFFAOYSA-N 411.512 4.373 30 40 HIEB N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCN(Cc1ccccc1)C2 23153747 DYZPGFJDRVCROX-UHFFFAOYSA-N 418.478 4.339 30 40 HIEB COc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c(OC)c1 34791512 WAYMCKSZFCAQPF-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 59417083 PRGSJQOUMUMXEU-LPYMAVHISA-N 401.382 4.136 30 40 HIEB CSc1ccc([C@@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1 102659546 RPPBNLPTYWWHMM-HNNXBMFYSA-N 403.463 4.141 30 40 HIEB CC(=O)[C@H]1[C@@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920570 HKTPWOIJKNNTFE-LVGZHWDBSA-N 414.615 4.167 30 40 HIEB C=CCOC(=O)c1ccc(OCc2ccc(I)cc2)c(OC)c1 226360877 HNTDOWFHEZKYJW-UHFFFAOYSA-N 424.234 4.222 30 40 HIEB Cc1ccc(NC(=O)COc2ccccc2/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1 408913092 SKWBKFJFEZBOQK-UCQKPKSFSA-N 404.426 4.367 30 40 HIEB C#CCOc1ccc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc1 409317460 QTIZEEKESKIQKS-UHFFFAOYSA-N 424.298 4.006 30 40 HIEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OCc1ccc(C)cc1 955866 BRUGPHIQNSYXMD-HSZRJFAPSA-N 416.481 4.196 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4776962 YFHBNZGEOYAYIJ-BTYIYWSLSA-N 406.873 4.356 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O 5516595 VUQIFURWBQXSST-OQKWZONESA-N 419.550 4.352 30 40 HIEB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC1(C#N)CCCCC1 7844283 WTCYLHYBTQWEPW-CQSZACIVSA-N 415.588 4.089 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 17058682 YTQIGFYRUCIMOM-JOCHJYFZSA-N 423.509 4.255 30 40 HIEB O=[N+]([O-])c1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162392 SGRGNHSOJLTXFU-OMCISZLKSA-N 416.025 4.282 30 40 HIEB COc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 59435472 SYBVTDDQYGAJBR-IPACTHBOSA-N 415.493 4.081 30 40 HIEB N#Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 827374 MSKLTVOZVILGEM-UHFFFAOYSA-N 420.357 4.388 30 40 HIEB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c([N+](=O)[O-])c1 4959794 MDOLBFZBMSTINR-UHFFFAOYSA-N 408.439 4.063 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 6622003 UYZOJXOLJZXZTI-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2c3ccccc3C[C@@H]2C)n(Cc2cccs2)c1C 8119050 VIGQQBJPDWXIMP-HNNXBMFYSA-N 404.539 4.476 30 40 HIEB C[C@@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 8990567 XVAFXYFJCVMTQN-DVOYWYKUSA-N 420.490 4.226 30 40 HIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC 12323403 CPKRKWKPOREKEX-BBATYDOGSA-N 424.482 4.128 30 40 HIEB N#CCCn1cc([C@@H]2CC(c3ccc(Br)cc3)=NNC2=O)c2ccccc21 16844433 TZBFRAKIZWHGOP-KRWDZBQOSA-N 421.298 4.325 30 40 HIEB CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1OC 32115303 XURQAANGNBMWOG-CIAFOILYSA-N 401.419 4.197 30 40 HIEB C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1Br 32934571 VXMSUIKPGTVXCS-SFHVURJKSA-N 404.329 4.069 30 40 HIEB CN(C)c1ccc(/N=C(\C#N)C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 102623262 ASRLARLJRVHJGX-LHLOQNFPSA-N 400.486 4.110 30 40 HIEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102875932 JBSITHXZPKMWGY-YDJIHCHBSA-N 421.884 4.049 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102879326 VYWXBKVYQTXKDL-YDJIHCHBSA-N 422.843 4.496 30 40 HIEB C=C(C)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 216236411 LLCVPGVGOZPLLQ-KUGABMNMSA-N 423.938 4.009 30 40 HIEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1 408757998 FKJHVYDGPNUKJL-QEMKNDADSA-N 413.502 4.428 30 40 HIEB C/N=C1/S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1C 408929197 IGAJJUXMOBCYCF-ZUBIIHIGSA-N 406.467 4.130 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1O 409411914 NLYIXYHVDSBKRL-UHFFFAOYSA-N 400.891 4.221 30 40 HIEB Cc1cccc2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc12 1356902 LMYFRHJDZGUKQE-UHFFFAOYSA-N 406.436 4.046 30 40 HIEB Cc1ccccc1/C=N/n1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 2387972 HGWATCHBQPNBSV-MZJWZYIUSA-N 414.513 4.133 30 40 HIEB COc1cc(NC(=O)c2ccc(C#N)cc2)c(OC)cc1NC(=O)c1ccccc1 2635834 JMQJLOSNDUJZCH-UHFFFAOYSA-N 401.422 4.080 30 40 HIEB COc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCO5)cc1 4090690 IPRPGYVIEJKXFL-IBGZPJMESA-N 401.462 4.427 30 40 HIEB biogenic C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 4871032 BKUAFKNETUCSJA-UHFFFAOYSA-N 416.477 4.268 30 40 HIEB N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 6998124 IEHXBLWZSSKIAP-UHFFFAOYSA-N 417.918 4.029 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nccs2)cc1 9763861 UWESTBUBLNQXKA-GOSISDBHSA-N 406.463 4.243 30 40 HIEB C=CCN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc2c(s1)CCCC2 15609737 SRNXNNRDPZVBNJ-UHFFFAOYSA-N 400.529 4.285 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)OCc1ccccc1 17015641 WAWUOCPDMVTPCY-UHFFFAOYSA-N 402.301 4.439 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccs1 19848957 DYYRAFZHYKLLMU-NYHFZMIOSA-N 409.507 4.291 30 40 HIEB COc1cccc(NC(=S)NCCNc2nc3cc(C)c(C)cc3cc2C#N)c1 35312924 CDXUBLFEBFVQQQ-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB C#CCOc1cccc(CN2Cc3cc(C)ccc3OC3(CCN(CC)CC3)C2)c1 72394201 LWZXMZZEYJONJF-UHFFFAOYSA-N 404.554 4.256 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1OC 408741725 NLDHXJSXMZLGHM-SXGWCWSVSA-N 419.300 4.358 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(I)cc3)S2)cc1 408966872 QZDJHFCLTBXARJ-XNTDXEJSSA-N 420.275 4.491 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccccc2)c(Cl)c1 409407566 UQCZENMGUKTBRE-IDPBPBMLSA-N 406.869 4.060 30 40 HIEB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1ccc(C#N)cc1 3412647 FLSYPYCCZDHUAK-DEDYPNTBSA-N 401.466 4.301 30 40 HIEB CCCCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(OC)c2)S1 5546195 KBSOEXZZTLVCTA-KMUCBOENSA-N 411.527 4.038 30 40 HIEB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 7007824 BZXIFVXFYJHNMH-QFIPXVFZSA-N 400.434 4.412 30 40 HIEB Fc1c(F)c(F)c(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c(F)c1F 16919428 PJMCWYIHRZGLJU-VAPIAZESSA-N 403.420 4.149 30 40 HIEB CCOc1ccc(C(=O)/C(=N/Nc2ccccc2)c2nc3ccccc3nc2O)cc1 17027579 FYVYKXNIMMKQOF-SGWCAAJKSA-N 412.449 4.433 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 19818186 NGXKMAGKQDPYPY-HSZRJFAPSA-N 403.478 4.407 30 40 HIEB CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 20028927 ZAJMXCAEWFSNPA-UHFFFAOYSA-N 414.490 4.448 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1 20150024 NAYCVZNDWSHASI-OAQYLSRUSA-N 422.456 4.102 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)c(OC)c1 20633403 AMQWTVIIDJGPMU-JOCHJYFZSA-N 419.481 4.462 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC(F)F)cc1 36633733 MKJITYLCTKQFTR-SFHVURJKSA-N 411.404 4.420 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccccc1F 100815561 FNKBNUXYPQJAHC-VGOFMYFVSA-N 420.234 4.492 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)SC1=S 408571535 BPIUXAXPSIKAJH-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB CCOc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)ccc1OCC#N 408993985 XUSNGKMPSRCBED-MOSHPQCFSA-N 407.495 4.496 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1C 2638461 PVYCFPJROGBTJV-UHFFFAOYSA-N 419.506 4.334 30 40 HIEB CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)ccc1O 4436357 BJORXDNTJYJSGB-GOSISDBHSA-N 414.531 4.153 30 40 HIEB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCc1ccc(C#N)cc1 5233250 CKXCUPCXLPDLMD-DEOSSOPVSA-N 400.478 4.138 30 40 HIEB Cc1ccc(-c2nnc(S)n2/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 5330936 KDFHGPQZNIGHFF-FYJGNVAPSA-N 404.455 4.123 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1 6720096 UQWDJJVOHGGINJ-NRFANRHFSA-N 419.433 4.075 30 40 HIEB Nc1nc(N)c2c(n1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1ccc(Cl)cc1 10339115 FOUVAKUOBZAETE-KSSFIOAISA-N 417.900 4.253 30 40 HIEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)CC2)cc1 12418268 SPIIGEVDGQHNPV-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB C=CCn1c(SCc2cn3c(C)cc(C)nc3n2)nc2sc(CC)cc2c1=O 12659262 IASNKPAHSVCITG-UHFFFAOYSA-N 411.556 4.158 30 40 HIEB O=C(/C=C/c1ccc(I)cc1)C1=C(O)c2ccccc2C1=O 13304703 XBSKSNSLHMLAJW-JXMROGBWSA-N 402.187 4.039 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@H](O)CN3[C@@H](C)CCC[C@H]3C)cc2)c1O 16608855 BDVWBPNTQNOQKA-LYNVPKIHSA-N 412.530 4.154 30 40 HIEB O/C(CN1CCC(COc2ccc(Cl)cc2)CC1)=N\c1nnc(C2CC2)s1 19658608 AKHYSVTYKSLEBO-UHFFFAOYSA-N 406.939 4.448 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 20171649 XSIAGSINYIVIFR-SFHVURJKSA-N 418.946 4.322 30 40 HIEB Cc1sc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C#N)c1C 40140461 CCXIEOZIOZDVDE-UHFFFAOYSA-N 410.520 4.463 30 40 HIEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCNC(=O)c2ccccc2)cc1 40146409 WYSUARBEXFJQSL-UHFFFAOYSA-N 415.468 4.046 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCC#N 59136358 JBVOMHYKGDKVQG-DTQAZKPQSA-N 421.453 4.128 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 102803988 JPRMYPJEXJHNAY-NHFXJNLRSA-N 420.490 4.164 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2OCC#N)C1=O 408998377 QETWBITZENJWHF-JXAWBTAJSA-N 406.463 4.133 30 40 HIEB COc1ccc2ccc(OC)c(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2c1 409014561 QDUFJSOPAZPDMJ-IWIPYMOSSA-N 420.490 4.323 30 40 HIEB COc1cc(/C=N\c2cc(C(=O)O)ccc2C)ccc1OCc1ccc(C(=O)O)o1 409386167 RAARPCSZHVGTAJ-KSEXSDGBSA-N 409.394 4.323 30 40 HIEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O 4744564 HRFLRAWJMJXBGK-WYFZMLARSA-N 400.934 4.005 30 40 HIEB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(OC)cc1 8341154 IJKNJPVTKAVRKY-FYYLOGMGSA-N 405.498 4.285 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)on1 9462429 XCJDRUCUKNLLSV-LJQANCHMSA-N 424.840 4.428 30 40 HIEB O=C1C2=C(Nc3ccccc3S(=O)(=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 9553938 LJYYHZMACCBZER-JOCHJYFZSA-N 418.430 4.143 30 40 HIEB CC(=O)C1=C(c2cccs2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 9737559 HTDRLGIKCSGCQZ-UHFFFAOYSA-N 416.915 4.208 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 12659792 VYLLNFJEMQLLQV-CVLVFTNCSA-N 413.558 4.150 30 40 HIEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1OCC(=O)O)OCO3 18197589 LXLZQLHXXMXNAB-QFIPXVFZSA-N 421.449 4.079 30 40 HIEB COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 40267432 RPLPAYNXLYNSPB-SZNDQCEHSA-N 418.453 4.066 30 40 HIEB CCOc1ccc([C@H](NC(=O)COc2ccc(CC#N)cc2)C(C)C)cc1OCC 53309681 ODURTRVLJLXLNU-XMMPIXPASA-N 410.514 4.442 30 40 HIEB CCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OC 113864845 WYWGDPPFNKCXOC-YBFXNURJSA-N 411.239 4.458 30 40 HIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224876657 BXUXGYFDHWNCLF-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB CCOC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513929 AXGRQVBVMOVQIA-IPMKNSEASA-N 410.322 4.480 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 102798992 VJQWJYGJIVJGNI-SELCWUDQSA-N 424.453 4.307 30 40 HIEB COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)ccc3C#N)C2=O)cc1 688310 QKMKYLMOGKNSHT-HXUWFJFHSA-N 415.474 4.053 30 40 HIEB N#C[C@H](C(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc(O)c2ccc(Cl)cc2n1 47373197 RFIKSZIGLBCVRZ-OAHLLOKOSA-N 412.232 4.294 30 40 HIEB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(Cl)cc3)S2)c1 100248519 BHZVWXQMJFMEJZ-OLRQPGBRSA-N 417.918 4.329 30 40 HIEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21 1889264 GVNUGOOIBGFQAN-HNENSFHCSA-N 424.884 4.172 30 40 HIEB C=CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C)cc1)CC2 28445435 ZLUHSGLXCPEATO-XDJHFCHBSA-N 412.489 4.489 30 40 HIEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6879706 FGTHDGKWUPPFPL-KRWDZBQOSA-N 411.461 4.368 30 40 HIEB CCOC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218499165 ZCYJWCYGXRGRLL-QYZOEREBSA-N 410.322 4.480 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=N\c1ccccc1I 409106586 OEQIUZAMOCNPBV-MOSHPQCFSA-N 406.267 4.187 30 40 HIEB CCN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)S/C1=N\c1c(C)cccc1C 408906349 INBWLFPSGDOIDX-PUGVQKEDSA-N 410.495 4.391 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252517046 ZCYJWCYGXRGRLL-GUDVDZBRSA-N 410.322 4.480 30 40 HIEB CCn1c(C)cs/c1=N\N=C\c1cc(Br)cc(Br)c1O 12374319 YHDKQBPNTYIUNI-RFQSFQDSSA-N 419.142 4.043 30 40 HIEB CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 13989682 DKXLVAZWPPUNHH-CYBMUJFWSA-N 417.604 4.421 30 40 HIEB Cc1occc1-c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1C 21125594 VYYNLCOCOZLFOG-UNOMPAQXSA-N 408.527 4.356 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 12421039 FKTMEAHCZALYAU-UHFFFAOYSA-N 424.526 4.164 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)sc1C 4312248 KZYIBXVQDRBFRB-MRXNPFEDSA-N 412.492 4.310 30 40 HIEB COc1cc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc(OC)c1OC 4944887 ZEWPLKQUSSIVMM-QGZVFWFLSA-N 407.466 4.240 30 40 HIEB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1 5178896 JCMOZGPNFBFMDJ-UHFFFAOYSA-N 409.540 4.187 30 40 HIEB Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 5238299 LAQFQJVEHIAWDM-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nc2cc(Cl)ccc2c1=O 8719239 KQPPYCKSTASVFR-GFCCVEGCSA-N 417.893 4.494 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1ncnc2sc3c(c12)CCC3 9167852 BTIDJYXIYQCJOH-UHFFFAOYSA-N 416.553 4.164 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1 25281993 RWZRJKPZTXVNFI-UHFFFAOYSA-N 422.492 4.352 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C2/CC[C@@]3(O)C[C@]2(C)CC[C@@H]2[C@@H]3CC2(C)C)cc1 33917141 BSQVUDMFVHHRDL-FVFDKBJMSA-N 404.576 4.007 30 40 HIEB O=C(OCC#CCSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 36381526 FCAQXYFPTFDQEH-UHFFFAOYSA-N 402.834 4.482 30 40 HIEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2C)cc1Cl 408587681 GRFFRCVXKVWRNW-JNKCTQQESA-N 407.901 4.197 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)cc1OC 4541149 VCYPCGJXLSDCMD-NRFANRHFSA-N 419.433 4.075 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6485996 LZFJYKUCTFOCKI-FQEVSTJZSA-N 404.919 4.183 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2ccc(C)cc2)cc1 8559764 VTGKOOHBFNCECY-WZONZLPQSA-N 400.482 4.319 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 13210734 NQLSRHIXCRNCHT-JOCHJYFZSA-N 416.477 4.433 30 40 HIEB C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000833 IJSKEADWTJGDGK-SFHVURJKSA-N 422.282 4.121 30 40 HIEB C=CCNc1ncc(-c2ccc(F)cc2)c(-c2cnc(C3CCNCC3)nc2C)n1 19552678 PBGIHFMKRKDYAJ-UHFFFAOYSA-N 404.493 4.113 30 40 HIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)c(F)c4)CC3)nc2c1 20151519 IFNKTOZRBMRUDB-UHFFFAOYSA-N 406.436 4.046 30 40 HIEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2c(C)ccc(C)c2s1 24906830 KOYASMLOVHBYTQ-UHFFFAOYSA-N 404.499 4.016 30 40 HIEB N#Cc1cccc(OCc2ccoc2C(=O)OCc2cc(Cl)c3nccn3c2)c1 65568135 YRDKSBFKKSTIPB-UHFFFAOYSA-N 407.813 4.388 30 40 HIEB C=CC/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccccn1 103371517 NOSIIBSCRXXRHQ-PRZPJMMKSA-N 405.346 4.405 30 40 HIEB COc1ccc(/C=N\[C@@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 104126007 NYSMPTJQTBPEOE-NAZSJVEXSA-N 404.466 4.260 30 40 HIEB Cc1cc(I)ccc1/N=C\c1ccc(O[C@H](C)C(=O)O)cc1 408849282 VWEDNSGCGXQJOS-FGHSJCFPSA-N 409.223 4.202 30 40 HIEB COc1ccc([N+](=O)[O-])cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409281568 MWHUJMPMFZSOKH-UHFFFAOYSA-N 406.442 4.243 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 977001 QUTHEPCEQLSJTI-UHFFFAOYSA-N 405.479 4.241 30 40 HIEB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 4959796 ZRIWAUVBDUEYNN-UHFFFAOYSA-N 408.439 4.063 30 40 HIEB Cc1nnc(SCc2ccccc2)n1/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59489976 FLIFYIFHCLSXLW-HYARGMPZSA-N 422.514 4.269 30 40 HIEB Oc1ccc(/C=N\C2=NCN3C(/C=C/c4ccc(O)cc4)=Nc4ccccc4C3=N2)cc1 101457933 DDCYQUKNNDGXRW-JFTQUGOGSA-N 421.460 4.350 30 40 HIEB Cc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)O)c4ccccc34)C(=O)N2C)cc1 13555386 DZTHQZYGVNIXNP-ALUZUPNRSA-N 405.479 4.268 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC1=S 9010062 DFVCXIXTRUFDNV-HMMYKYKNSA-N 417.534 4.292 30 40 HIEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 9070989 DHNAGVVHMJTHPC-YDJIHCHBSA-N 424.884 4.070 30 40 HIEB O=C(C1=C(C(F)F)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 6926461 XNRLRQCAMUZTMG-MRXNPFEDSA-N 404.779 4.488 30 40 HIEB C=CCn1c(SCc2nc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 9336986 PSZCMUUCHASPIH-SFHVURJKSA-N 406.467 4.410 30 40 HIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1C#N 408751271 YRRSALZHZRSEOJ-MXAYSNPKSA-N 417.425 4.285 30 40 HIEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 224721967 GBKYTHNVRWTODB-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1C[C@@H]31 239235865 WWRXLKKVHLBDIO-SGEJCHJDSA-N 421.500 4.077 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 104121694 SJHZGIUEGFKNET-YDJIHCHBSA-N 418.380 4.360 30 40 HIEB COc1c(F)c(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F 32717108 HFDPISCZIRYQKY-UHFFFAOYSA-N 403.275 4.071 30 40 HIEB Cc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)n1Cc1ccco1 5671538 GWJMSIFFJHUEMI-BBVFFXRHSA-N 417.465 4.202 30 40 HIEB COc1ccc(CN/C(=N/c2cc(OC)c(OC)cc2C#N)SC)cc1Cl 5676019 TWZMKYBOUXKGLH-UHFFFAOYSA-N 405.907 4.378 30 40 HIEB COc1cc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1OC(F)F 6053596 DSWPLWSNBZBOAH-FDMDUGQKSA-N 404.413 4.013 30 40 HIEB CCCCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C 8396759 ZOGZERLMROOTPZ-SDNWHVSQSA-N 412.987 4.409 30 40 HIEB Cc1nn(C)c(C)c1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 9545206 MMKUHUBOZGBXGH-FQEVSTJZSA-N 421.884 4.473 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2C)cc1 10314416 DTEWXUZZLVZEGA-UHFFFAOYSA-N 419.506 4.423 30 40 HIEB N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl 11095997 SRUKRJHMELMHPU-UHFFFAOYSA-N 402.281 4.356 30 40 HIEB CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3cccc(F)c3)c2C#N)CC1 52537253 MKQSZTUREPAJDX-UHFFFAOYSA-N 410.493 4.367 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OCC)c1O 59135600 NHZIKALQKPLQJF-GZTJUZNOSA-N 410.401 4.165 30 40 HIEB Cc1ccc([C@@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1Cl 104101923 NMDAVBDIBJTKAG-HNNXBMFYSA-N 405.841 4.381 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1cccc(Cl)c1 409144401 LCIUULJHLGSEQM-CVWKSKFMSA-N 420.896 4.450 30 40 HIEB CCc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c2c1CCCC2 625540 GZAOLZIVCBYUFJ-UHFFFAOYSA-N 404.491 4.476 30 40 HIEB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 5007329 NTWMDHXCALEQPS-UHFFFAOYSA-N 408.439 4.063 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 5045102 SKJJTXFWXAQTKV-HNNXBMFYSA-N 412.294 4.280 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 5868812 XEXPMJUKLXAMDT-INIZCTEOSA-N 410.543 4.258 30 40 HIEB CC(C)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 6159913 REDNTXZNCKOWJM-QGZVFWFLSA-N 400.272 4.438 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 8785807 IJKOXOUYHLEHSR-HNNXBMFYSA-N 403.511 4.145 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(Cl)cc1 9304104 VHDXNNDWXHGLKB-JTQLQIEISA-N 420.951 4.064 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)c1 94979096 OZVBBNVODJSDTI-FQEVSTJZSA-N 421.522 4.230 30 40 HIEB COc1ccc(CCc2n[nH]c(/N=C(\O)CCn3ccc4ccccc43)n2)cc1OC 95476673 ZPGAYVWWMCWDAO-UHFFFAOYSA-N 419.485 4.240 30 40 HIEB CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CC1 9376906 GCNULZZFRLUPJJ-GFCCVEGCSA-N 415.588 4.497 30 40 HIEB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/C(Cl)=C/c2ccccc2)C1=O 9631444 LXLHQYKWGXSXTH-NKPMHQDVSA-N 419.815 4.321 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(OC)cc3OC)c2)c1 12889359 RQALPANTPBYQCE-UHFFFAOYSA-N 415.445 4.143 30 40 HIEB C=CCc1cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc(OC)c1OCC(=O)O 59248022 VIZUSLIXQQKBCW-FOKLQQMPSA-N 417.845 4.078 30 40 HIEB CCCN1C(=O)[C@H]([C@@H](O)c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 100296893 XQCOPZGVLCIBGN-SFEJASTKSA-N 414.527 4.169 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 102542894 YBKKFCWXAVTFAN-MRJHHRETSA-N 418.449 4.085 30 40 HIEB O=c1c2c3c(sc2ncn1/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCCC3 409201154 MAMQPBUQZJCREL-YXSASFKJSA-N 423.281 4.434 30 40 HIEB CCOC(=O)c1ccc(/N=C/c2ccc(Sc3nnc(C)[nH]3)c([N+](=O)[O-])c2)cc1 6535344 OIYKRQUIHBHDFH-RGVLZGJSSA-N 411.443 4.100 30 40 HIEB C#CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 13995404 XLYLKHNGWVRNHH-VFNWGFHPSA-N 421.497 4.495 30 40 HIEB COc1ccc(/C=N/Nc2nc3c(c(=O)[nH]2)C2(CCCC2)Cc2ccccc2-3)cc1 17045769 BSQGQYLWCJDVAE-MFKUBSTISA-N 400.482 4.259 30 40 HIEB CC/C(=N\C[C@H]1CCCO1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 17951036 ANCJRZGSDGEEPT-QWKGEVNMSA-N 424.448 4.172 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 18199759 CWDCOANPEPCYPJ-IERDGZPVSA-N 424.460 4.112 30 40 HIEB O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)/C1=C(O)\C=C\c1ccccc1 102882367 HJQRLHHMJKWNHD-UWFSCAJVSA-N 400.409 4.403 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 408536114 YELCUVBQCXVTNN-UNOMPAQXSA-N 424.434 4.079 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Cl)c(O)c([N+](=O)[O-])c1 1531385272 UODMUXLWPNMLGJ-FSJBWODESA-N 420.812 4.213 30 40 HIEB O=C(Nc1cccc(C(F)(F)F)c1)C(=NO)C(=O)Nc1cccc(C(F)(F)F)c1 1410201 OMANVIOVQZLJSL-UHFFFAOYSA-N 419.281 4.132 30 40 HIEB O=C(Nc1ccc(/C=C/C(=O)c2ccco2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4839159 UJZKNDAOAMETIN-VMPITWQZSA-N 407.338 4.244 30 40 HIEB O=C(O)C[C@H]1S[C@H](c2ccccc2Cl)N(/N=C\c2ccccc2Cl)C1=O 5663043 MGUGVACYUTUXBZ-MXPVVLAWSA-N 409.294 4.445 30 40 HIEB C[C@@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)NC1(C#N)CCCCC1 7814809 VLKRSPKMHMDPAY-MRXNPFEDSA-N 409.511 4.121 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)sc2c1CCC2 9717070 TUMJSZBQSVBEOJ-UHFFFAOYSA-N 421.551 4.297 30 40 HIEB COc1ccc(-c2n[nH]c(=S)n2/N=C\c2cc(Br)ccc2OC)cc1 12464379 NXSONVGSGHNKHH-GRSHGNNSSA-N 419.304 4.270 30 40 HIEB COc1ccc(/C(=N/O)[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1 17211326 FBWAFBVOCIGTGV-QIJFPUFLSA-N 403.434 4.369 30 40 HIEB Cn1c([C@H](C#N)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 40089612 ISZDQCXYHIKIJT-IRLDBZIGSA-N 422.488 4.311 30 40 HIEB CCOc1ccc([C@@H]2C3=C(Nc4nc(SC)nc(O)c42)c2ccccc2C3=O)cc1 40382582 QORNNIWXSIOOKR-MRXNPFEDSA-N 417.490 4.468 30 40 HIEB C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 72271991 JBWQXMBKIZBDQY-UHFFFAOYSA-N 407.491 4.081 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)c1 96325042 WKCZQXNJVIOFOY-JOCHJYFZSA-N 415.493 4.169 30 40 HIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 100131280 PPJMPRCOSFEEKX-RGVLZGJSSA-N 424.373 4.265 30 40 HIEB Cc1ccc(/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 104589677 DKGFPDDGLQNENJ-XUKXGFMLSA-N 411.571 4.486 30 40 HIEB CC(C)Cc1nnc(/N=C2/S/C(=C\C3=Cc4ccccc4OC3)C(=O)N2C)s1 256055937 ZVGCQSGLTSIIQB-KBCROIKQSA-N 412.540 4.289 30 40 HIEB CCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1I 408905368 XYIGHXXURPSBKU-RQZCQDPDSA-N 412.183 4.054 30 40 HIEB C[C@H]1CCCCN1c1nc(=Nc2ccccc2F)nc(N/N=C/c2cccc(F)c2)[nH]1 408975444 KJZMOVLCTVKAJY-CAUYNWHBSA-N 423.471 4.140 30 40 HIEB Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c2ccccc2c1O 1306207 NYQBPXRKTGJIGB-SSDVNMTOSA-N 408.255 4.208 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccn3c(c2)c(C#N)c2nc4ccccc4nc23)cc1 2353746 QMDNCVPMUAJITA-UHFFFAOYSA-N 413.462 4.017 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3c(C)cccc3Cl)o2)cnn1C 2798387 OGVRZTXNCQFAGB-BHGWPJFGSA-N 414.893 4.444 30 40 HIEB COc1ccc(/C=N/N2C(=O)/C(=C/c3ccco3)SC2=S)cc1Br 3122753 LWJNIUCERDEUQG-DMJOVAHWSA-N 423.313 4.286 30 40 HIEB CN(C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 3176723 PLYMSZMCQPYYEM-UHFFFAOYSA-N 410.930 4.246 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCCOC(C)C 6668082 MUFFLIPSACVKBA-LJQANCHMSA-N 415.511 4.150 30 40 HIEB C/C(=N\N1C(=N)S[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O)c1ccc(F)cc1 8426790 GNLWYCZSJMKWES-QJAXJLIYSA-N 418.881 4.111 30 40 HIEB COc1cc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1OCCC(C)C 9262318 SKSFWCFEOADYPQ-HRAATJIYSA-N 404.470 4.151 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1 20131827 WDBNPISYVXPLFE-NRFANRHFSA-N 422.481 4.254 30 40 HIEB CCNC(=S)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 33701749 PBZRYYVKZZKIOG-YDZHTSKRSA-N 408.483 4.145 30 40 HIEB COc1ccc([C@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 48342348 CCJCQDZWVOJMQP-GOTSBHOMSA-N 400.434 4.111 30 40 HIEB C=CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(OCC)ccc21 100875020 KHOFQEJJJOPEBG-FCQUAONHSA-N 406.463 4.135 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 102805013 WTLLHFZYLIIGMO-HOGKFDNTSA-N 414.461 4.102 30 40 HIEB CCOC(=O)Oc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OC 107696100 PIMOWQCWSOJJRP-ZLAKOQMZSA-N 404.469 4.105 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(O)c(Cl)c1 408794587 SPJVOBYRPHZXKV-MRXNPFEDSA-N 416.260 4.440 30 40 HIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 2055266 UCXYXVCHFQYJKZ-NRFANRHFSA-N 411.498 4.037 30 40 HIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)c(F)c1 2211839 UGWXZNZKMRRHMW-UHFFFAOYSA-N 402.520 4.295 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccoc1C 6910900 VQUZRGFXONJLIV-IBGZPJMESA-N 408.527 4.318 30 40 HIEB O=C(O)c1ccccc1/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 3283660 NFZYQUOPBWPKQL-ODCIPOBUSA-N 401.797 4.378 30 40 HIEB Cc1cc(/C=C/C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C)n1Cc1ccco1 8777380 PGKNDAAJJRQTOA-JBVUFVISSA-N 423.513 4.034 30 40 HIEB Cc1ccc(/C(=N/C(=S)Nc2ccccc2)NCS(=O)(=O)c2ccccc2)cc1 13303172 CODJWUDUSBKLMS-UHFFFAOYSA-N 423.563 4.160 30 40 HIEB COc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccccc2)c1 44858869 ZZJBMTQPPXRKSW-QFIPXVFZSA-N 414.465 4.166 30 40 HIEB Cc1[nH]c2ccccc2c1/C=N\Nc1nc2nonc2nc1Nc1ccc(F)cc1 106185929 SNVYBKNDAIEFOR-YVNNLAQVSA-N 402.393 4.131 30 40 HIEB C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 797597 JJFXIJZNZCPVOT-UHFFFAOYSA-N 412.536 4.065 30 40 HIEB CCOc1cccc2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 4598230 UMGUXXCIZKJAMN-MDZDMXLPSA-N 410.422 4.114 30 40 HIEB Cn1c([C@@H](C#N)/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 5072489 WLMYIFJNAZFHOH-KYVIQDPYSA-N 414.490 4.059 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(COc4ccccc4)nc3c2[C@H]1c1ccccc1 5345051 HDFZQHSDNCUSAU-NRFANRHFSA-N 412.449 4.091 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@H]1c1ccccc1 5347462 VZBBKTGCCZMOGA-IBGZPJMESA-N 400.413 4.318 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(F)c1 5476045 KARCNMMNTREKFU-UHFFFAOYSA-N 407.239 4.185 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2cc1OC 35311864 VIPBACWAWDPMDS-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 95430498 HJBQYBWIDHAPJZ-LJQANCHMSA-N 411.513 4.237 30 40 HIEB CCCCc1nc(OCC(=O)Nc2ccccc2OC)c(C#N)c2c1COC(C)(C)C2 95475938 IISYYSBSMCDUMH-UHFFFAOYSA-N 423.513 4.173 30 40 HIEB CC(C)(C)C(=O)/C=C(\CSc1nnc(-c2cccs2)n1CC(N)=O)C(C)(C)C 96402633 DPTKDXCWJIKGEA-JLHYYAGUSA-N 420.604 4.172 30 40 HIEB O=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944574 RYQZIXCMWPWVAD-UHFFFAOYSA-N 417.218 4.449 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)cc3Cl)o1)[C@H]1C=C[C@H]2C1 104695398 JXMLMNHIVWVEGK-YNTQPTGDSA-N 401.249 4.394 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 408588804 JSZMLHAMOIEYJL-HYBGDYFVSA-N 407.901 4.279 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1Br 408865919 CPWFFNAPXGJVNI-DHDCSXOGSA-N 407.264 4.488 30 40 HIEB N#Cc1ccccc1COc1ccccc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409082825 UANIAVOJZURBOY-STZFKDTASA-N 401.466 4.363 30 40 HIEB Cc1cccc(N/C(S)=C(/C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)c1C 3340592 VZNFEMIPLSMMPR-UHFFFAOYSA-O 419.526 4.413 30 40 HIEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccccc2)C1=O 4699823 LEMPDBVLUFFGSY-HDKKRFQTSA-N 404.850 4.299 30 40 HIEB COc1ccc(NS(=O)(=O)c2ccc(NN=C3CCCCC3)c([N+](=O)[O-])c2)cc1 4865437 PEZYOGDKZWROQL-UHFFFAOYSA-N 418.475 4.136 30 40 HIEB CCn1c(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O 6039948 XUCODZYQLRRYTI-KGENOOAVSA-N 419.550 4.389 30 40 HIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1cccs1 13801199 GRJKAZRDVDXOJQ-FSJBWODESA-N 416.572 4.220 30 40 HIEB CCCOc1ccc(Br)cc1/C=N/NCc1ccc(OC)c(OC)c1 20196347 DCYCCHUENDOIAM-LPYMAVHISA-N 407.308 4.379 30 40 HIEB N#Cc1ccc(CSCC(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)cc1 40133326 NUDYSQJQAHTGBI-UHFFFAOYSA-N 404.520 4.349 30 40 HIEB N#Cc1cc2c(nc1NC(=O)COc1ccc(Oc3ccccn3)cc1)CCCC2 95986326 ASENLKLHIMIBRQ-UHFFFAOYSA-N 400.438 4.037 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100302798 YBNSKGUKYSIPSP-OLRMZVSNSA-N 400.478 4.014 30 40 HIEB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccccc3C)N=C2C)c(C#N)c1C 101141847 IUZIEBBKZJYJOJ-LFIBNONCSA-N 408.483 4.132 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1[C@H]2c1ccccc1 101147448 AQKUNUCDZWXFPG-IBGZPJMESA-N 401.466 4.171 30 40 HIEB O=C(O)c1cccc(/N=C/c2cc(Br)c(I)o2)c1 408954616 UDGQTLHSJNUANI-GIDUJCDVSA-N 420.000 4.096 30 40 HIEB Cc1cccc(NC(=O)COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)c1 409006785 KZDQNPKIKMXADT-OEAKJJBVSA-N 404.426 4.367 30 40 HIEB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1cccc(C(=O)O)c1 409018090 QVQKQKHJZQCAKC-YDOFSLMMSA-N 419.462 4.115 30 40 HIEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccc(OC)cc3OC)C(=O)N2CC)cc1 409145905 QNGKMOALNVBQDJ-UTTYWZDOSA-N 414.527 4.297 30 40 HIEB CC(=O)NN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C 4109182 UVPROFMQWDAPAP-KAXIZBKFSA-N 410.524 4.020 30 40 HIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC)ccc1Cl 7718453 VGCDLGGRIXPBLZ-UHFFFAOYSA-N 413.326 4.124 30 40 HIEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 12881003 ZVBSOUYZBQSXEW-HXUWFJFHSA-N 424.476 4.111 30 40 HIEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc([N+](=O)[O-])o2)C(=O)C1 100004224 ZTQOCHAOTLVTKI-LJQANCHMSA-N 403.431 4.047 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102803897 XYDZDLMUDOLCBJ-YDJIHCHBSA-N 404.422 4.008 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)o1 409319789 LWNBYKFQKOZOFF-UHFFFAOYSA-N 417.307 4.043 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 409338454 KGTCINKJNJCPET-XDHOZWIPSA-N 424.434 4.079 30 40 HIEB COCc1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)o1 585293567 JCIGMNQDWPWJLI-UHFFFAOYSA-N 403.486 4.211 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 3550800 DWPIRVVBEVXGHN-UONOGXRCSA-N 419.616 4.022 30 40 HIEB CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)ccc1O 4436359 BJORXDNTJYJSGB-SFHVURJKSA-N 414.531 4.153 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 5563578 GSCQXKALHAYPIB-MOBKVPTQSA-N 406.526 4.183 30 40 HIEB COc1cccc(OCc2cc(/C=N/Nc3ccccc3C(=O)O)ccc2OC)c1 5721050 LLIABAHSTMFPLH-ZVHZXABRSA-N 406.438 4.427 30 40 HIEB Cn1c([C@@H](C#N)/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21 12470157 ALZRXBMWITZQOA-XGTYDZQNSA-N 420.519 4.120 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccn1 16755560 GUHANOMNYLEJCJ-UHFFFAOYSA-N 415.316 4.264 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1 20171238 VLZYMLCAJQXZOV-OAQYLSRUSA-N 410.514 4.207 30 40 HIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20739516 LNZLVCZUWAPMAO-JOCHJYFZSA-N 404.857 4.336 30 40 HIEB Cc1[nH]nc([C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1[N+](=O)[O-] 95677052 PFLNFQQYSZYSCT-YFKPBYRVSA-N 411.127 4.118 30 40 HIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)c1 102862864 QYFPSMJSAYCXJE-MRJHHRETSA-N 403.409 4.461 30 40 HIEB Cc1ccc(COc2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)cc2)cc1 112264037 CXJSORNMRRPLDY-FBWWKUGXSA-N 400.478 4.105 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 408808971 GYPHMZHGXTZISP-XNTDXEJSSA-N 417.248 4.225 30 40 HIEB COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OCC(=O)Nc1ccccc1 408913424 UJDPBGOODJURPG-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB C#CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409029723 ARYXKLHCDLRSIJ-FINSYCMTSA-N 406.685 4.075 30 40 HIEB CN(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(O)c1 409303910 ILSBERMXMAKWKS-UHFFFAOYSA-N 424.460 4.464 30 40 HIEB COC(=O)c1ccc(COc2ccc(/C=N/Nc3cccc(C(=O)O)c3)cc2)cc1 4924646 OJTNNIORKFGHBT-ZVHZXABRSA-N 404.422 4.196 30 40 HIEB CCCCCCCCNCc1cc(Br)c(OCC(N)=O)c(OCC)c1 105342687 KUNFXTXWJAAPBV-UHFFFAOYSA-N 415.372 4.162 30 40 HIEB Cc1c(/C(O)=N/c2nc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] 58147631 LEYGRXUNPLBCHC-UHFFFAOYSA-N 402.208 4.087 30 40 HIEB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 12750479 TZYXOXRKPDAJOU-HNNXBMFYSA-N 424.522 4.450 30 40 HIEB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1 12924978 ZVGYRHNNDWVPNZ-UHFFFAOYSA-N 422.481 4.291 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c12 6669587 QQXAVAZWDJUMRJ-UHFFFAOYSA-N 405.494 4.266 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S 4711435 ZJDKQNDWXJSXRV-XSFVSMFZSA-N 421.566 4.204 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCc1cccs1 4917796 BMVVIMJYHBISDH-UHFFFAOYSA-N 408.504 4.244 30 40 HIEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(C(=O)O)cc1 409077147 CQHBWWZYXDOGFB-ODLFYWEKSA-N 407.422 4.017 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2ccc(Cl)cc2)c1 409404284 KHVPTFWRYQTSBK-IDPBPBMLSA-N 406.869 4.060 30 40 HIEB Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc2c(cc1Br)OCO2 24038705 DFJVHUUGTFHLBM-UFWORHAWSA-N 417.288 4.290 30 40 HIEB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)S/C1=N/c1ccc(F)cc1 409236235 FEVWMWDHAMXFRH-IQLOBFSESA-N 417.418 4.072 30 40 HIEB COCc1c(C#N)c(O)nc(/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1[N+](=O)[O-] 33728483 NHFFFJYDCNZFPU-FNORWQNLSA-N 422.353 4.052 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 72391218 VLJGASIJBMTUJP-AREMUKBSSA-N 402.538 4.217 30 40 HIEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768893 SGQMHUAOVDQTAO-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] 16449495 XDSFOTNDMCOTBI-UFFVCSGVSA-N 424.210 4.141 30 40 HIEB COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(Cc3ccc(C#N)cc3)C1)CC2 19498315 GBSYOSPEZDDXHT-PGRDOPGGSA-N 405.542 4.159 30 40 HIEB C=CCOC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1cccc(OC)c1)CN2Cc1ccccc1 1848351917 FBSVEKBLIVRTNV-WXFUMESZSA-N 406.526 4.308 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409801 FQZOYTPPZNPKAY-INIZCTEOSA-N 412.492 4.386 30 40 HIEB COc1ccccc1/N=C(\O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1F 17244389 BVMWXOOEDAFBND-GASCZTMLSA-N 420.506 4.137 30 40 HIEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(C)cc3)c2c1 8023555 BRCNMBXUAAHUJH-QFIPXVFZSA-N 404.466 4.012 30 40 HIEB CCOc1cc(/C=N/Nc2ccc(Cl)cc2)cc(I)c1O 8399704 BLQGBIHTPTVHOZ-GIJQJNRQSA-N 416.646 4.495 30 40 HIEB COc1ccc(N/C(=N/C(=O)Nc2ccc(F)cc2)Nc2nc(C)cc(C)n2)cc1 8974814 PBGNEVIOVQFMII-UHFFFAOYSA-N 408.437 4.353 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2sc(C)c(C)c2c1=O 13137458 JOKKQBLNDBYEKV-UHFFFAOYSA-N 420.947 4.040 30 40 HIEB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)c1 13137490 SISIWJQWPQQURU-AWEZNQCLSA-N 401.561 4.413 30 40 HIEB COc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 16216091 JMXJEKGSYJRAJZ-UHFFFAOYSA-N 422.397 4.385 30 40 HIEB biogenic C=CCOc1c(Cl)cc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC 20196547 YAQSRAODZOPYCD-ZVHZXABRSA-N 404.894 4.444 30 40 HIEB C=CCS[C@@]1(Br)NC(c2ccc(OC)cc2)=C[C@@H](c2ccco2)N1 101320925 PDHUDWLPRZRZEY-WMZOPIPTSA-N 407.333 4.489 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\C[C@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1 195529990 JCIGLNNBGVGJTH-PAZKKKCNSA-N 412.559 4.113 30 40 HIEB COc1ccc(C(=O)O/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1OC 2189982 VMVANPCSWYULOT-QYQHSDTDSA-N 411.417 4.237 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 4102875 PYQWDQPEVCAOFG-GOSISDBHSA-N 422.462 4.392 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 4944144 TXEVVKRLZAVFHZ-MCMMXHMISA-N 405.473 4.382 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 6445138 QSDXAVGBDSDYLS-HXUWFJFHSA-N 420.852 4.219 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCCN(C)C)cc1 6813209 CYXJJJBQXUTNCC-MOBKVPTQSA-N 418.493 4.115 30 40 HIEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Oc3ncn4nc(-c5cccs5)nc4c32)cc1 9041547 WBTHSZDHVRSTNR-GOSISDBHSA-N 418.478 4.249 30 40 HIEB COc1ccc(OC)c([C@H]2CCCN2C/C(O)=N/c2nnc(C3CCC3)s2)c1 19658407 SEWBALIHPDCKQL-MRXNPFEDSA-N 402.520 4.248 30 40 HIEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)cc1 35656345 COLUAWQJLXCQPJ-XGHAMVSDSA-N 406.463 4.021 30 40 HIEB Cc1c(/N=C/c2ccc(C(C)(C)C)cc2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 102457089 WHBRTYXPNICSLA-BUVRLJJBSA-N 409.486 4.424 30 40 HIEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(O)cc1O 103457596 WQPALSYRUOEORL-XATMHOQWSA-N 417.437 4.198 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c1 786972 WMVMFUUYTDKPEO-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc12 2368847 MBENMSCSPAWAKL-CJCQAYSXSA-N 420.904 4.231 30 40 HIEB COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1COc1ccc(C)cc1 2792371 XKUOZIFRPILWJL-LSHDLFTRSA-N 404.442 4.283 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1C#N 4409884 CVSHDOPQPLPBTH-FOKLQQMPSA-N 405.414 4.331 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc(Br)c1OC 8322748 ABFGVGOHIXOLOP-FNORWQNLSA-N 407.260 4.467 30 40 HIEB CCOC(=O)COc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OCC 9311668 STOAARQXBPITSK-SRZZPIQSSA-N 421.837 4.035 30 40 HIEB CCOC(=O)c1sc(/N=C/c2cc(Br)cc(OC)c2O)c(C#N)c1C 9934828 JAACBVZYUGWQHU-DNTJNYDQSA-N 423.288 4.332 30 40 HIEB CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 13423883 GDRMXBDHICLWAY-XAIYEJPOSA-N 418.316 4.039 30 40 HIEB C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC 16681427 GGBGMMWAKBIUCF-UVTDQMKNSA-N 412.305 4.469 30 40 HIEB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)c3ccc4c(c3)NC(=O)CO4)c2Cl)cc1 18917952 NJHUEUNJBIQNPN-CMDGGOBGSA-N 421.884 4.429 30 40 HIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 33717032 XIDQEFYQERJDFK-SRZZPIQSSA-N 406.349 4.154 30 40 HIEB N#Cc1cccnc1N1CCC(CNC(=O)Nc2cccc(C(F)(F)F)c2)CC1 70929547 ZVMHWPIFMKQGNL-UHFFFAOYSA-N 403.408 4.010 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)no1 102804812 OBZCHXSCNGSONE-NHFXJNLRSA-N 418.380 4.495 30 40 HIEB CCOc1ccccc1/C=C1\S/C(=N\c2ccc(OC)cc2)N(CCOC)C1=O 408943024 XULBKXGONBXBJN-BLFRMDKKSA-N 412.511 4.344 30 40 HIEB C#CCOc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409045913 JTSKGJYWGKGGQD-QPJQQBGISA-N 421.110 4.175 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2628242 NQMQDEPRYVNYCW-UHFFFAOYSA-N 409.902 4.401 30 40 HIEB N#CCc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 37200152 FVZKVDRHTNVDGR-JTSKRJEESA-N 410.564 4.263 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 19938572 MSLCLGULPLBSTA-NRFANRHFSA-N 410.489 4.054 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(OC)c1 24672023 RRKOXCRCZRXKNG-JOCHJYFZSA-N 416.562 4.272 30 40 HIEB COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408815482 HUVROMAWBLKHKE-UNOMPAQXSA-N 405.479 4.165 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 72345305 PSCOWWUAUIONJP-GBXCKJPGSA-N 416.565 4.463 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220572846 PLLHWQPEIJHJJB-OAQYLSRUSA-N 416.543 4.052 30 40 HIEB N#Cc1ccc(Nc2nc([C@H]3CCCCN3CCOCc3ccccc3)cs2)cn1 585293687 JVOJMWZNHPQRAS-JOCHJYFZSA-N 419.554 4.897 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(Br)c1)n1ncnc1N2 14608163 CGVJFIJABFOYMI-KPZWWZAWSA-N 411.259 4.049 30 40 HIEB N/C(=N\c1nc(O)cc(CSc2ccccn2)n1)Nc1ccc(Cl)cc1Cl 18189346 GSGNEBITBQSOPX-UHFFFAOYSA-N 421.313 4.235 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)C2CCC2)C1 19015713 HVIMERCEPSADAV-SANMLTNESA-N 417.553 4.002 30 40 HIEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\S/C(=N\C2CCCC2)NC1=O 20987571 GCWAEGANNOJLGC-BOPFTXTBSA-N 400.935 4.396 30 40 HIEB O=C1c2ccc3c4c(ccc(c24)C(=O)N1/N=C/c1cccc(Br)c1)CC3 1444702 GXNCPDGTAYLYKN-FOKLQQMPSA-N 405.251 4.331 30 40 HIEB CCc1ccc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)c(C#N)cc2c1 4848930 XKFDJLXJTJZESE-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB N#Cc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 6052708 GNBQPDAPNIPHJT-UHFFFAOYSA-N 410.430 4.142 30 40 HIEB N#CCCCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 9077087 OBMIBFHUGRQPFL-UHFFFAOYSA-N 400.360 4.414 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 15940614 AXIMWYFDEMIPHO-OALUTQOASA-N 412.555 4.186 30 40 HIEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccc(N)cc1 33960868 SYVCZBIDZYJKIL-LQKURTRISA-N 402.506 4.024 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)[C@H]1C=C[C@H]2C1 408726264 AVXJIVWDAQCWBO-YNTQPTGDSA-N 401.249 4.394 30 40 HIEB N#Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918586 MEMCZHOLCUXRLQ-YCIYHOANSA-N 410.860 4.305 30 40 HIEB Cc1nc(N)c(C#N)c(-c2cc3c(cc2Br)OCO3)c1-c1ccccc1 408981553 VRTHFNUMJOIFNI-UHFFFAOYSA-N 408.255 4.669 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C1=O 409107865 XHHHITYWVTWGIE-CPNJWEJPSA-N 410.495 4.493 30 40 HIEB C=C(C)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3 2240598 JSEKKNTVRYMUFR-UHFFFAOYSA-N 416.930 4.295 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O 3317960 VASHNTMCCQIDCM-SWLSCSKDSA-N 405.589 4.048 30 40 HIEB CC(C)c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4199550 JUONALDFJZGCQV-JJIBRWJFSA-N 407.566 4.422 30 40 HIEB C[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 4898859 YJRGBBKBPXHOLB-BDVIWPHNSA-N 402.317 4.303 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccc1F 5018681 VNAUHXNCOMSCTJ-UHFFFAOYSA-N 412.490 4.400 30 40 HIEB N#Cc1c(/N=C/c2ccc(Sc3ncn[nH]3)c([N+](=O)[O-])c2)sc2c1CCCC2 6083931 VFSUCESBCPGREC-AWQFTUOYSA-N 410.484 4.427 30 40 HIEB C/C(=N/OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)O)c1cccs1 6691706 OWCXDWJGPLJSSE-KQWNVCNZSA-N 408.479 4.420 30 40 HIEB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 6912461 GOWWTQJSIQNYAP-AWEZNQCLSA-N 401.561 4.413 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)c2C#N)C1 9452938 QXNKDYUMNDRWSL-AWEZNQCLSA-N 421.522 4.340 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 35312355 VIWXMYBFYMEPNH-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 40090216 ISLXMFQVKLAGHO-WBVHZDCISA-N 421.335 4.279 30 40 HIEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 102369060 OABYCPRRADKUEJ-MOBKVPTQSA-N 414.461 4.495 30 40 HIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 102799143 HCJFWSSUSURGJI-MRJHHRETSA-N 403.409 4.461 30 40 HIEB O=[N+]([O-])c1ccc(/N=C\c2cc(Br)c(I)o2)cc1 408853101 PRQIDLXIPCJCSI-NSIKDUERSA-N 420.988 4.306 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409144141 OBJDSVBEQZJZMV-CXUHLZMHSA-N 418.266 4.074 30 40 HIEB C#CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC 409232055 MTSYZRDVRNSDFY-NFVLHAOASA-N 410.470 4.470 30 40 HIEB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)cc1Cl 1017251 NQVHPKPOXHFBBN-LTUQMTLXSA-N 405.882 4.378 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc1 2807784 BTYBNJFNRDTFRH-MFKUBSTISA-N 419.506 4.368 30 40 HIEB COc1cc(/C=N/c2ccc(-c3nnc4n3CCCCC4)cc2)cc(OC)c1OC 3525505 VVCBKIDOFFOTET-BUVRLJJBSA-N 406.486 4.448 30 40 HIEB Oc1cccc(-c2cs/c(=N/N=C/c3ccc(O)cc3O)n2-c2ccccc2)c1 5242408 HDZIZGATXXDGDE-BXBPIDJQSA-N 403.463 4.257 30 40 HIEB O=C1/C(=C/c2ccccc2)CN(C(=O)CCN2CCCC2)C/C1=C\c1ccccc1 5722826 MQKOVQRHVUBDFD-GJHDBBOXSA-N 400.522 4.051 30 40 HIEB CCC/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC)c1ccccc1 6112780 DVWVSOQOLABKEQ-DYTRJAOYSA-N 418.519 4.242 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 6607526 NINYIYYGMKCESO-INIZCTEOSA-N 408.504 4.312 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(I)c(C)c1 9971497 AYBDFTZKCJQOPF-YODDIOPGSA-N 417.250 4.341 30 40 HIEB C/C(=N\OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)O)c1cccs1 13306813 OWCXDWJGPLJSSE-XQNSMLJCSA-N 408.479 4.420 30 40 HIEB O/C(COc1ccccc1-c1ccccc1)=N\c1nc(CN2CCOCC2)cs1 14201932 XIPZSEWZBFZUBP-UHFFFAOYSA-N 409.511 4.309 30 40 HIEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 59566483 UBYLKWWKIBTRDJ-MWLMUJSGSA-N 420.494 4.424 30 40 HIEB COc1cccc2cc([C@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc12 97105900 ZTFRILHDUUWEEH-LJQANCHMSA-N 404.857 4.466 30 40 HIEB O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)/C1=C(O)\C=C\c1ccccc1 102882369 HJQRLHHMJKWNHD-GUIXXIHBSA-N 400.409 4.403 30 40 HIEB CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 169936283 SRFMUCCZTUUCBX-JOCHJYFZSA-N 410.539 4.388 30 40 HIEB CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccccc1C#N 408853135 LWHPZQIYRRRYEP-AGSDWXNQSA-N 407.495 4.068 30 40 HIEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 408975476 MCBNSLINJVDELF-CIAFOILYSA-N 408.418 4.122 30 40 HIEB CCc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@@H](c4ccsc4)CC3=O)NC2=O)cc1 1548338242 PDYLGFLEPONLPP-SJORKVTESA-N 408.523 4.176 30 40 HIEB CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1 1333599 DUCPTHPSRONHLJ-HSZRJFAPSA-N 414.557 4.344 30 40 HIEB CCCCCCOc1ccc(OCCOc2cccc(/C=N/NC(N)=S)c2)cc1 4512506 DCENETFGHOTPGV-JJIBRWJFSA-N 415.559 4.271 30 40 HIEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 6618433 VBOROEJQTAMENE-PCLIKHOPSA-N 413.481 4.128 30 40 HIEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 7982819 SHTKYKFEUUUTBY-UHFFFAOYSA-N 410.429 4.150 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022256 MKESSNJHNVPBQI-NRFANRHFSA-N 409.482 4.089 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(C)cc2)cc1OC 18198503 QCLMRHXAOIZXPW-SBUREZEXSA-N 416.481 4.019 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccncc1 19830829 BKMFVQKUGFSMRM-WZONZLPQSA-N 418.493 4.015 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccc1O 1531186238 JQSBFWFOWPNYED-NHDPSOOVSA-N 400.276 4.044 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(OC)c1 2450292 HDEDWKPDBPLGMU-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(Cl)cc3)o2)cnn1C 2798126 NZUVQWFAIZRIMB-FOKLQQMPSA-N 400.866 4.136 30 40 HIEB Cc1ccc2cc(C#N)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc2c1 4849012 KBORMSVFKNTPEX-UHFFFAOYSA-N 400.507 4.347 30 40 HIEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Oc1nc(Cl)ncc1F 15018626 UNHFVKUEMJPJGD-LSFURLLWSA-N 417.784 4.424 30 40 HIEB CCOc1ccc2nc(NCCCNC(=O)c3ccc(F)cc3F)c(C#N)cc2c1 35311787 MINJBTGBBHCCGF-UHFFFAOYSA-N 410.424 4.015 30 40 HIEB C=CCN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C(=O)OCC)cs1 48310128 XWZFZZSUVBKYCX-SOFGYWHQSA-N 421.862 4.114 30 40 HIEB CN(C)/C=N/c1cnc([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)s1 96305391 HNPRIXYVMBGPJH-IDTCLIEOSA-N 405.738 4.206 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 97105061 IMRLHTULDNGDLI-NZQKXSOJSA-N 410.466 4.032 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@]12C#N 102684175 LAPWMKGSGLMNJI-HOJAQTOUSA-N 411.600 4.176 30 40 HIEB aggregator O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)/C1=C(\O)c1ccc(Cl)cc1 102895228 RJJYYDACPDXHLY-WOOAAIBNSA-N 409.825 4.261 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220365440 JIVSPQYIJIIMHX-HNNXBMFYSA-N 422.934 4.006 30 40 HIEB N#Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918587 MEMCZHOLCUXRLQ-ZKKFKWFVSA-N 410.860 4.305 30 40 HIEB O=C(COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 409017973 GUCMIODSAQMBPM-LGUFXXKBSA-N 415.493 4.096 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=Nc1ccc(Cl)cc1 409019184 IJZPJCWASIVDKW-RPAYCJQNSA-N 417.918 4.394 30 40 HIEB CCOc1c(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cccc1OC 409062149 OLHRIMIZQQXSRR-RTPPHFGYSA-N 412.467 4.026 30 40 HIEB COc1cc(N2CCCC2)c(OC)cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 409209361 GGYQUDGVDNOZEG-NNSJDREZSA-N 417.575 4.393 30 40 HIEB O=S(=O)(c1ccc(/N=C/c2ccc(Br)cc2)cc1)N1CCCCC1 672179 BXBFUMHRFZUAPJ-XSFVSMFZSA-N 407.333 4.374 30 40 HIEB O=C1c2ccc3c4c(ccc(c24)C(=O)N1/N=C/c1ccc(Br)cc1)CC3 1424912 JTFPCQCKLWWLHO-FOKLQQMPSA-N 405.251 4.331 30 40 HIEB O=C(C1=C2NC(=O)c3c(sc4c3CCCC4)N2Cc2ccccc21)c1ccncc1 1806950 BZWRZDXRHLJVPA-UHFFFAOYSA-N 413.502 4.337 30 40 HIEB C=CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 2108676 LYYNZZYEUHLQJL-OSVJCPFSSA-N 404.510 4.287 30 40 HIEB biogenic C=CCn1c(SCc2occc2C(=O)OCC)nc2sc(C)c(C)c2c1=O 3305145 IQRAIQUTTTVAJL-UHFFFAOYSA-N 404.513 4.323 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1OC 4919286 FFSVXIKTDLQMPE-UGKGYDQZSA-N 410.466 4.032 30 40 HIEB O=S(=O)(c1ccc(Cl)c(/N=C/c2ccc(OC(F)F)cc2)c1)N1CCCC1 4964234 JELIFQLEPKSMNE-WSDLNYQXSA-N 414.861 4.477 30 40 HIEB COc1cccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1 5008133 UCLIBRWWQBNHSZ-SSDVNMTOSA-N 407.451 4.380 30 40 HIEB N#Cc1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)nc1N 8637006 RZAORIJLEZMMNC-UHFFFAOYSA-N 411.903 4.044 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccc(OC)cc3)cc21 8959545 AAZICTIULHILDV-UHFFFAOYSA-N 408.498 4.204 30 40 HIEB C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cccnc1 10558902 GYESADHDWJXOQI-UHFFFAOYSA-N 403.511 4.476 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1nn(-c2ccccc2)c2c1CCC2 12526624 NNEDWULRSCLWOI-UHFFFAOYSA-N 404.473 4.408 30 40 HIEB Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N 32777462 HJOBMXKPTVOKHL-SNVBAGLBSA-N 403.510 4.297 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 100439809 PEKIGJNGQCCZOM-YDJIHCHBSA-N 400.390 4.221 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 220573060 SBEMJEGWYCLUAI-NRFANRHFSA-N 416.543 4.052 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1 409300107 UVCJPQPJJASOFB-UHFFFAOYSA-N 400.276 4.044 30 40 HIEB N#CCCN(C(=O)CSc1nnc(NCc2ccccc2)s1)c1ccccc1 3296675 RJIROEQNTUCLKZ-UHFFFAOYSA-N 409.540 4.189 30 40 HIEB CC(=O)C1=C(c2ccc(C)c(C)c2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 4518332 BMLJLTOVSQUSKN-UHFFFAOYSA-N 404.495 4.110 30 40 HIEB COc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)c(OC)c1OC 4973893 PDDXDBIOVRONDY-JIPRVBPISA-N 420.509 4.245 30 40 HIEB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2sccc2C#N)cc1 5943976 CLPAAUFGGDITIZ-UHFFFAOYSA-N 412.511 4.497 30 40 HIEB C#CCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 6678986 MCZBGMIWQZOCII-HRAATJIYSA-N 403.507 4.356 30 40 HIEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 14397715 XMXYBFCHRLHDFD-KDFHYHBSSA-N 403.482 4.416 30 40 HIEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1 15859783 OUJRUTLHUPPAQE-UHFFFAOYSA-N 405.502 4.203 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1OC 20633259 XZBMMHQRLOAWEQ-HXUWFJFHSA-N 405.454 4.072 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 33555142 HHHBTZCHLLWGPN-RGVLZGJSSA-N 419.846 4.129 30 40 HIEB Cc1sc2ncnc(NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c2c1C 59333660 MJJDYKWCDKADLC-UHFFFAOYSA-N 421.505 4.132 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 102922752 MAGWHHLITARTQY-SKQREZPOSA-N 414.533 4.314 30 40 HIEB COc1cc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 408752980 KIRDULIGUXKGAO-GUXCAODWSA-N 407.426 4.319 30 40 HIEB N#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409036251 BFACZWSEHQHCGM-HCDFXORVSA-N 422.098 4.065 30 40 HIEB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 648865 OBQVIRKLMQNWQK-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB CCN(CC)C(=S)Sc1nsc(SC(=S)N(CC)CC)c1C#N 1573977 INIMBGNKJIGYPY-UHFFFAOYSA-N 404.677 4.452 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1 6510777 IASUKUOTANNBJE-UHFFFAOYSA-N 411.508 4.222 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 8914993 CEPLLPHVXACQFL-NRFANRHFSA-N 418.424 4.008 30 40 HIEB N#Cc1c(O)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1-c1ccccc1 9042020 GFMOATJWUGHPDN-UHFFFAOYSA-N 414.849 4.244 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccncc4)nc3c1[C@H]2c1ccccc1 9304781 XIBKFZBGAVEEIZ-IBGZPJMESA-N 423.476 4.354 30 40 HIEB Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cccc(OC(F)(F)F)c2n1 72286873 BMTAFMIESPHEHV-UHFFFAOYSA-N 413.403 4.035 30 40 HIEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)S/C1=N/c1ccc(C(=O)O)cc1 408792347 ARLKPEMVBFYQAT-UVOXWLTBSA-N 407.495 4.219 30 40 HIEB COCCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccc(OC)cc1 408944000 ZWQKJMIEIYECEO-PZUCIDFCSA-N 421.522 4.437 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@H]2c1ccc2c(c1)OCO2 5190692 NCXQUDXFPZQCHH-NRFANRHFSA-N 406.438 4.335 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 6576956 HQVCKHDUVHSNFC-HLAWJBBLSA-N 423.611 4.320 30 40 HIEB aggregator C#CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(CC)C2=O)cc1 8654233 BXJJMSWHVLIVPY-ZQRXGZGKSA-N 406.463 4.021 30 40 HIEB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ccc(C#N)c(Cl)c1 12905755 SVFAFJZPAXUNKG-QSYFUGGGSA-N 405.841 4.343 30 40 HIEB CC(C)c1cc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2C)cs1 17082746 NMLAOKYIEBLUTH-UHFFFAOYSA-N 403.558 4.331 30 40 HIEB C[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CCN(c2ccccc2)CC1 101513975 HMVFVFJRYNLXNK-QGZVFWFLSA-N 421.932 4.489 30 40 HIEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102539763 NBMVUNVOHNINAH-YDJIHCHBSA-N 418.380 4.360 30 40 HIEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(Br)cc1 224739117 CJQRUTIEUVSWPL-UHFFFAOYSA-N 424.316 4.007 30 40 HIEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)cc1 225725216 WPVIEVLPISEOMO-IBGZPJMESA-N 404.557 4.093 30 40 HIEB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409209358 GFOMVSXTYNPVHP-GIJQJNRQSA-N 410.451 4.054 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1102729 LSOCVAWBDBXJPM-GOSISDBHSA-N 406.419 4.439 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1Cl 2640986 BGUVGBUEKRBSRY-UHFFFAOYSA-N 409.858 4.474 30 40 HIEB COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)[nH]c2c1 4252319 YABALCOOTDQERD-NSHDSACASA-N 412.540 4.360 30 40 HIEB CNc1nc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc(Nc2ccccc2)n1 5334900 GAMIKGDJGWLLRM-ZVBGSRNCSA-N 404.261 4.115 30 40 HIEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc(OC(F)F)cc1OC(F)F 5866029 PIXBBIBGKNAJBS-AUEPDCJTSA-N 407.433 4.410 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1 6785128 PJUOMGWJMDBCDF-JBCNATCCSA-N 422.481 4.098 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F 20029231 YZWDGIFIAWASDP-OAQYLSRUSA-N 410.489 4.054 30 40 HIEB COc1ccc([C@@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1OC 27991308 WSISFKXSOUPXAV-LJQANCHMSA-N 406.486 4.254 30 40 HIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224799537 ZHXDTRCXZMJSJV-UHFFFAOYSA-N 401.406 4.104 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897134 FERBWURMQGHCGJ-UHFFFAOYSA-N 423.332 4.097 30 40 HIEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408811315 BIDSCZLHHMBJRW-UNOMPAQXSA-N 409.463 4.358 30 40 HIEB C#CCOc1cc(Br)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409010464 FBWYNYMWOSXWKW-UJFYRASASA-N 424.316 4.305 30 40 HIEB N#Cc1cccc(C[C@H]2CC[C@@H](C3CCN(C(=O)OCc4ccccc4)CC3)N2)c1 1537961490 QUYGLPHMGKIUSR-RPWUZVMVSA-N 403.526 4.270 30 40 HIEB Cc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCCC3)s2)c1C 6508154 POLULJNRGALLOZ-UHFFFAOYSA-N 401.561 4.333 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCc3sccc3[C@H]2C)n(Cc2ccco2)c1C 7878909 MOROBFUTIWVRKD-MRXNPFEDSA-N 408.527 4.237 30 40 HIEB C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)nc1C 11915133 OESZSARGWBKHBM-UHFFFAOYSA-N 413.455 4.100 30 40 HIEB CC(C)(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1 104187106 LYFKVDWSUUBYPB-GHNGSUTGSA-N 419.506 4.462 30 40 HIEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCOCC2)c(F)c1 409125028 ISTJDZWAKYUGJT-PDGQHHTCSA-N 417.893 4.207 30 40 HIEB Cc1ccc(Nc2nnc(SCc3nc4ccccc4c(=O)n3CC#N)s2)cc1 3337482 ANIQVBZAQAOIOS-UHFFFAOYSA-N 420.523 4.116 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc2c1CCCCC2 3370129 PDVYKESQFKPUIV-UHFFFAOYSA-N 422.539 4.143 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 4311392 HXLOPFIETIOLAD-NRFANRHFSA-N 403.434 4.375 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)cc1 4386907 RCEJUQQHBOOLRO-IQMFZBJNSA-N 417.509 4.333 30 40 HIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cc(C)ccc2C)c2cc(Br)ccc21 4554839 LGERBSRNIZIWGK-OAQYLSRUSA-N 414.299 4.059 30 40 HIEB C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 6084051 NXEOJVSEBJVAAR-VXGBXAGGSA-N 407.253 4.203 30 40 HIEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12871249 VXEXRMPPXDSODG-GOSISDBHSA-N 404.491 4.232 30 40 HIEB C=CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O 16735195 CYSDCMUJFQAPQU-FRWQMALMSA-N 421.909 4.087 30 40 HIEB CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 18119479 ZECVLFSFNCSXGV-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB COc1cccc(NC(=S)NCCNc2nc3c(C)cc(C)cc3cc2C#N)c1 35312868 DETUBFMRTYNALY-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 40266952 SCPWKMKQYHDSRG-ZUOKHONESA-N 406.417 4.197 30 40 HIEB O=C(/C(=N/Nc1cccc(O)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 100463943 XIHCDHTYYIBWCS-ATJXCDBQSA-N 414.870 4.128 30 40 HIEB CCOC(=O)/C(=N/Nc1ccccc1)C(=O)CSc1ccc(Br)cc1 2066730 SBYWDPWIBSWQOA-HEHNFIMWSA-N 421.316 4.142 30 40 HIEB C=CCNC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 2296024 PNRJOOQSQRCFKX-XLNRJJMWSA-N 409.489 4.405 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C#N)C1 2797726 KLRNUHNBQTXOKB-CYBMUJFWSA-N 410.474 4.369 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1C 4704680 DAZDDTYBSUWSBA-RQZCQDPDSA-N 416.886 4.312 30 40 HIEB C#CCOc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 8112798 JBEKBJATQFLGBI-GOSISDBHSA-N 401.871 4.172 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 13716721 AXOMOQBOXGNCIP-NRFANRHFSA-N 416.543 4.052 30 40 HIEB Cc1ccc(NC(=O)C/C(N)=N/OC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 14074955 OFGCIOCNKSFRJW-UHFFFAOYSA-N 411.845 4.366 30 40 HIEB Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19597299 YYUSEIHFDFJHHH-UHFFFAOYSA-N 405.508 4.175 30 40 HIEB aggregator CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1cccc(C(=O)O)c1 210585460 BFZWYUHJAPBDMV-WBCKRXDOSA-N 412.467 4.026 30 40 HIEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224885748 MJFYIUGWPKJPDT-UHFFFAOYSA-N 418.259 4.117 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 253564421 GMMDJLBPIXQZJQ-VVHSMDIASA-N 406.869 4.060 30 40 HIEB COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 408743699 XIRQKDOTVZXQHH-DHDCSXOGSA-N 417.284 4.127 30 40 HIEB CC[C@H](C)Oc1c(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409073531 ZQSICHDDJDSOMM-KKBVUKDESA-N 423.267 4.384 30 40 HIEB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 409145993 PJXNQJYMROKGLD-SVMNTTRFSA-N 417.468 4.394 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccc(OC)cc1 409290770 UXZTXOQJINTAEF-HCPOURLOSA-N 412.287 4.277 30 40 HIEB N#CCCN(C(=O)CSc1nc2ncc(Cl)cc2[nH]1)c1cccc(Cl)c1 5261913 SELGTVVCLAJPPS-UHFFFAOYSA-N 406.298 4.304 30 40 HIEB CO/N=C1\C[C@@H](C)Cc2c1cc(-c1ccc(Br)cc1)n2CCC(=O)O 5358952 NQZDPOXJFOWULA-HFPIQRBFSA-N 405.292 4.325 30 40 HIEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C 6026494 CAQPQHZPJWYNAA-MFKUBSTISA-N 406.555 4.491 30 40 HIEB CCOc1ccc(/C=C\C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 6078693 KVABLDHEQSMFLE-DFOOEPSASA-N 424.517 4.169 30 40 HIEB biogenic N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 27792976 LJFFDMNFVBPPAZ-FQEVSTJZSA-N 408.889 4.352 30 40 HIEB Cc1ccc(OCc2nc(C#N)c(N3CCN(c4ccccc4F)CC3)o2)c(C)c1 27991344 YEIGOLKBMKCVAD-UHFFFAOYSA-N 406.461 4.208 30 40 HIEB N#C[C@H](C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1 41553039 WPXVZZNLOLMIGW-AWEZNQCLSA-N 407.779 4.371 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(Br)cc1O 59105927 OSCUIXRMBBATLO-VIZOYTHASA-N 423.263 4.194 30 40 HIEB CCOCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1ccccc1 408929920 PRHJPJBVJDHIGI-JHHKTYBCSA-N 412.511 4.344 30 40 HIEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1O 1249739 DQLKWTRVVKIMSQ-VULFUBBASA-N 422.448 4.007 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1OC 2446375 XWDKQYLJUYEVTE-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 6869728 AUPWZNSHDHACTB-ZHZULCJRSA-N 411.527 4.442 30 40 HIEB N#Cc1oc2ccccc2c1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 8429456 YQWUWGUIYYXPNA-UHFFFAOYSA-N 415.478 4.493 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2Cl)cc1 9088375 HPLNFGDLASHBJG-QKKBWIMNSA-N 406.873 4.356 30 40 HIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cc([N+](=O)[O-])ccc1C 12285034 HFWQPOIVAGDDOD-PTGBLXJZSA-N 420.454 4.217 30 40 HIEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 12881009 ZVBSOUYZBQSXEW-FQEVSTJZSA-N 424.476 4.111 30 40 HIEB CCCN1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 13590313 NOZCLEYRJPFYGD-MGYAYREDSA-N 407.426 4.265 30 40 HIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)c1 20762537 CWPLNCPUVAQHQP-WGOQTCKBSA-N 405.498 4.403 30 40 HIEB N#Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(CN3CCOCC3)cc2)c1 24772653 XQZZMKLSZAJEKP-UHFFFAOYSA-N 417.534 4.299 30 40 HIEB C/C(=N\NC(=S)Nc1ccc(C(C)C)cc1)c1c(C)nc(-c2ccco2)[nH]c1=O 25043125 QWMSXUDBQWGXJR-AFUMVMLFSA-N 409.515 4.172 30 40 HIEB COc1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 31842131 IBXKOIFVZYJQKG-JJFYIABZSA-N 407.451 4.380 30 40 HIEB Cc1csc(N(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2)n1 48261880 VCJPWNAFWDTAPW-UHFFFAOYSA-N 403.511 4.300 30 40 HIEB Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)S1 59248521 WAVYTDYDSLVNBM-SXGWCWSVSA-N 402.859 4.003 30 40 HIEB COc1ccccc1C(=O)OCC(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 68592022 KAJWSYHWWIEVQQ-SSZFMOIBSA-N 416.429 4.354 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccc(Cl)cc3)c1)[C@H]1C=C[C@H]2CC1 100237026 WIFCKXHMDYGNCN-OAUYOWIPSA-N 420.896 4.450 30 40 HIEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@]13CCCC[C@H]23 100749534 HCKWLIFVKPDIEV-IIOACPQZSA-N 402.494 4.332 30 40 HIEB biogenic C/N=C1/S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)N1C 408930127 SJIZYXHHYDLJLA-KDUMPSMXSA-N 418.522 4.120 30 40 HIEB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC#N 409210547 LHZKWXQZKUEEOX-HKWRFOASSA-N 408.479 4.267 30 40 HIEB CC(=O)C1=C(c2ccc(C)c(C)c2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 4518337 RICSYAXREAJKHJ-UHFFFAOYSA-N 418.522 4.418 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1cccs1 4576434 ALBHJJOCCAIFDV-GOSISDBHSA-N 406.419 4.439 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 4681354 KADSRHZVUADRQV-MAVBTGMRSA-N 411.527 4.292 30 40 HIEB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S1)C2 6606272 IQUGJIVYYGPFAC-RPAKWDEQSA-N 401.507 4.188 30 40 HIEB O=C1Nc2cc3[nH]c(=O)[nH]c3cc2N/C1=C/C(=O)c1ccc(C2CCCCC2)cc1 13284054 XFGLZLPJLUFOLU-UDWIEESQSA-N 402.454 4.035 30 40 HIEB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)[nH]1 14152394 PGOZGCWNAMHTDZ-UHFFFAOYSA-N 413.890 4.126 30 40 HIEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1csc2c1CCCC2 17091199 PNJCOCXRCVEQMU-UHFFFAOYSA-N 417.585 4.259 30 40 HIEB C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409045096 HQLNLJCXYBRFMT-XNTDXEJSSA-N 417.248 4.225 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2ccccc2F)c(Cl)c1 409345909 LWBKJQFNQHOYTE-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB N#Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4cccc5[nH]ccc45)C3)cs2)cn1 585294770 KACUMXFJECFJEH-QGZVFWFLSA-N 414.538 5.014 30 40 HIEB COc1cc2c(cc1O)CCN(/C=C/C(=O)c1ccc(Br)cc1)[C@@H]2C 2115321 BWSRBKWNZOVOET-AORWBKJGSA-N 402.288 4.479 30 40 HIEB biogenic O=C1CCCC2=C1[C@H](c1cccc(O)c1)n1nc(SCc3ccccc3)nc1N2 4777008 YYHBUJFTJALQQU-FQEVSTJZSA-N 404.495 4.298 30 40 HIEB COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c(OC)c1OC 5042658 GGHJELGXNMGYSY-XNTDXEJSSA-N 404.875 4.257 30 40 HIEB Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccc(Br)cc1)CCC2 6530601 NXWOVSFBVKFYEN-CZIZESTLSA-N 407.333 4.085 30 40 HIEB COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 9419487 XSNVBEAZSHAQIV-MFOYZWKCSA-N 418.243 4.134 30 40 HIEB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] 17089947 UHLPWXGMROIAPN-JTQLQIEISA-N 414.512 4.088 30 40 HIEB Oc1ccc2ccccc2c1/C=N\N1CCN(/N=C/c2c(O)ccc3ccccc23)CC1 17422560 PMCNJQXQVINAAP-HJVIKEODSA-N 424.504 4.390 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)O)cc1 20081132 HFGPCUCMZRNFHX-LJQANCHMSA-N 413.857 4.092 30 40 HIEB Cc1cc(C(=O)COc2ccc(CC#N)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 25053978 IAUFGUKWPSQWGP-OAQYLSRUSA-N 416.477 4.273 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccc(O)c2)sc1C 102929070 NEEXVPYDMJVQJA-UYTDBDHRSA-N 412.492 4.153 30 40 HIEB O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C\c1ccc(Cl)cc1 2322711 FSGVYQJWGQQKOT-WNFQYIGGSA-N 401.651 4.176 30 40 HIEB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 5238242 QCGIUQMCDRVHGP-OAHLLOKOSA-N 404.495 4.045 30 40 HIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2OC)cc1 40268078 ZVBUMAQVNHLFOE-SFHVURJKSA-N 403.438 4.025 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(F)c(F)c1)n1ncc(C(=O)Nc3ccccc3)c1N2 44858940 YOWWVXMCGDWTMH-NRFANRHFSA-N 420.419 4.436 30 40 HIEB CC(C)=CCC[C@]1(C)C=C[C@H](OC(=O)C=C(C)C)[C@](C)(O)C=CC(=O)C(CO)=CC1 263636604 GYXPHGPELZUVGI-ZKMPZPQNSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro COC(=O)C1=C(C)N(c2ccc(Br)cc2)/C(=C/c2ccc(O)cc2)C1=O 408982289 DCLUCUQPWPMDIX-GZTJUZNOSA-N 414.255 4.032 30 40 HIEB Cc1ccc(Cn2cc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)cc1 409219981 SIQPAMPLSRLSBV-BQHREFONSA-N 409.489 4.139 30 40 HIEB CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1 2424720 STKWQYPHHPOZBG-HXUWFJFHSA-N 424.501 4.044 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)cs2)c1 3561948 GSXUUVCVTNXZCR-UHFFFAOYSA-N 413.524 4.085 30 40 HIEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O 5338849 DQJWDHZSTISTCE-UNOMPAQXSA-N 406.390 4.441 30 40 HIEB C=CCn1c(N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)nc2ccccc21 12116503 NFABNHMXVSNWGX-IBGZPJMESA-N 402.542 4.359 30 40 HIEB COc1ccc([C@@H](C#N)NCCCCCCN[C@@H](C#N)c2ccc(OC)cc2)cc1 31870885 NDJLUMWEIGSKMI-PSWAGMNNSA-N 406.530 4.273 30 40 HIEB CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc(Br)c1OC 34702319 SMKZUMRRBGYRSI-NHDPSOOVSA-N 421.291 4.154 30 40 HIEB C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CC(=O)NCCC#N 36735205 ATGKMRKYLNBTIH-MAUKXSAKSA-N 406.917 4.360 30 40 HIEB N#Cc1cccc(OCCN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)c1 71890588 MUKHZVFREFKFGM-OAQYLSRUSA-N 418.472 4.396 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 72391204 GBFITRVPTLDHFU-XMMPIXPASA-N 408.567 4.279 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)o1 100228632 XNMTUWSDEQIYCH-OTRJFIBHSA-N 406.869 4.295 30 40 HIEB C#CCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(F)cc(F)c21 100877785 QLSZFUMCUHGPOW-FXBPSFAMSA-N 407.239 4.118 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1C=C[C@H]2C1 104692794 GMMDJLBPIXQZJQ-PGKJETJZSA-N 406.869 4.060 30 40 HIEB O=C(OCCC(F)(F)C(F)(F)Br)OCC(F)(F)C(F)(F)F 169795814 JBDUMFBYVXRZKB-UHFFFAOYSA-N 401.019 4.350 30 40 HIEB CCOc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408932560 XKLWPLLXBTYRGJ-HYARGMPZSA-N 419.319 4.444 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)cc1 409277156 ABWINGWKAQSOAN-UHFFFAOYSA-N 400.276 4.137 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3C[C@H]12 4084362 ARYDPXCLLLRKHT-CFXNPWLASA-N 423.597 4.370 30 40 HIEB biogenic COc1ccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-] 4474203 QUCCLKJZTWKLNY-KPSZGOFPSA-N 400.609 4.276 30 40 HIEB C=CCNC(=S)N/N=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12 4562328 GJRAVHVHJXFLOR-MFKUBSTISA-N 406.555 4.321 30 40 HIEB COc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)c(OC)c1OC 4598226 UZBGRSPVNMKYLP-QPJJXVBHSA-N 400.814 4.368 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCc2ccccc21 5869400 SQHZLBOWNUOCPD-UHFFFAOYSA-N 420.538 4.033 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1C 9303789 PFXYFMWKZBLNSE-OAHLLOKOSA-N 422.510 4.288 30 40 HIEB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 9305307 JANQEJHUEFSVRZ-RPPGKUMJSA-N 414.444 4.375 30 40 HIEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 9486076 ZYLHUMFTJJBCNE-WSVATBPTSA-N 400.814 4.384 30 40 HIEB C=CCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)/C=C/c2ccco2)c2ccccc21 10157834 YHYFLSQMZPXMCD-AKNQKSQZSA-N 412.445 4.242 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1ccc(F)cc1 32579533 FQDILCZZRRMMQP-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB N#Cc1cccc(OCCN2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)c1 71890589 MUKHZVFREFKFGM-NRFANRHFSA-N 418.472 4.396 30 40 HIEB CCC/C(Nc1ccc(Br)cc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100162978 UKDJPIJTVLYLOU-YHKKIHSWSA-N 422.319 4.273 30 40 HIEB N#Cc1ccc(Nc2nc(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)cs2)cn1 585294737 IQMJBFRMURSPKD-UHFFFAOYSA-N 414.538 5.014 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1OC 1303901 ZKQWXMBSFMAYSH-UHFFFAOYSA-N 405.479 4.368 30 40 HIEB C[C@@H](CCc1ccco1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 4084816 RFDZLHQISAXUIQ-YTRVSVCQSA-N 401.547 4.060 30 40 HIEB Oc1ccccc1CNCC[C@@H](S)CC[C@H](S)CCNCc1ccccc1O 4706512 IGTKLUJOZGTRLI-PMACEKPBSA-N 420.644 4.134 30 40 HIEB Cc1cc(C)nc(/N=C(\N=C(/O)C2CC2)NCCc2c[nH]c3ccc(Cl)cc23)n1 4777088 JIEVWKKRAWBSPE-UHFFFAOYSA-N 410.909 4.414 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](C)CC2=O)N1 4802936 CQJJNDWWVWJGAC-MCMMXHMISA-N 405.473 4.382 30 40 HIEB CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 18140499 SVAISUDVKHCHPA-OAQYLSRUSA-N 409.482 4.334 30 40 HIEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 84093842 RWAAKMMVPGVOQO-FQEVSTJZSA-N 424.501 4.312 30 40 HIEB N#Cc1ccc(SCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1C(F)(F)F 95997468 WGDHIAQDGRYNND-UHFFFAOYSA-N 416.446 4.247 30 40 HIEB C/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1c(C)[nH]c2ccccc12 103459102 IYUKIXUZPARFBZ-NZTLMEIJSA-N 406.511 4.436 30 40 HIEB COc1ccc(OCc2nc(SCc3ccccc3Cl)nc(N)c2C#N)cc1 223694811 CXEAZSDNEZQRPC-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc(OC)c1OCC 248334389 LHNFPUSDUVHYRS-FPOVZHCZSA-N 418.541 4.435 30 40 HIEB CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc(F)cc1 408844141 HCOLBUWZVCGQEU-RSXNERHXSA-N 400.475 4.335 30 40 HIEB Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408851503 KUPDGPPPYWGVLK-CFRMEGHHSA-N 405.454 4.307 30 40 HIEB O=C(O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl 408962845 KCMLDVDOVUYUTQ-REZTVBANSA-N 401.587 4.099 30 40 HIEB O=C1C[C@H](c2ccco2)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1 1547138130 LBCGITJENXLQBG-PZUDMAOCSA-N 416.385 4.108 30 40 HIEB C=CCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(CC)cc1 1443603 AHGYQRTYOREWQF-FQEVSTJZSA-N 407.539 4.074 30 40 HIEB N#CCCN(C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1 4221025 SUDFUCTUABNHEF-UHFFFAOYSA-N 400.434 4.163 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 11859792 ZPSXKGFETCHTHW-HWYZMAPZSA-N 424.906 4.160 30 40 HIEB COc1cccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)c1 12662523 FCAQRWAINHTJEJ-QRVIBDJDSA-N 416.429 4.434 30 40 HIEB biogenic C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc2c(s1)CCCC2 12797857 UNSRHWCZESTXTO-QGZVFWFLSA-N 409.555 4.211 30 40 HIEB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)c1 13137489 SISIWJQWPQQURU-CQSZACIVSA-N 401.561 4.413 30 40 HIEB CN(C)Cc1cc(C(=O)/C=C/c2ccc(Br)cc2)cc(CN(C)C)c1O 16958809 XNYDDMGPBXTGGX-JXMROGBWSA-N 417.347 4.174 30 40 HIEB CC(C)CNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828795 KACYFWAQSXTGEK-GOSISDBHSA-N 414.918 4.390 30 40 HIEB CC(C)(C)c1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1 95469556 NQYCDLBFVZULBL-UHFFFAOYSA-N 401.495 4.218 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)o2)cc1Cl 100302835 VKBXHIYTVCVTQV-QRYBKZESSA-N 406.869 4.295 30 40 HIEB N#Cc1cc(NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c(=O)n2ccccc12 100913442 HAMJIBYYOWBLIX-UHFFFAOYSA-N 419.440 4.233 30 40 HIEB CCOc1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OCC 104103306 WHWWLSXGECRFTG-UCQKPKSFSA-N 401.576 4.251 30 40 HIEB C=CCc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1OC 409197492 GXFXUDASHXMEBF-PDGQHHTCSA-N 414.552 4.388 30 40 HIEB N/C(=N\OC(=O)Nc1ccccc1)c1cccc(Cn2cnc(Cl)c2Cl)c1 4285948 OIJWHPPCTROQBS-UHFFFAOYSA-N 404.257 4.107 30 40 HIEB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)/C=C/c3ccco3)c3ccccc32)c1 4556276 OZZDUYPYFAEULX-ZEWVGQQJSA-N 401.462 4.303 30 40 HIEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccccc1 6356333 DWOQSZQWZWWMFW-UHFFFAOYSA-N 408.527 4.336 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 8856734 LVZQMOPRLDFXGG-FQEVSTJZSA-N 412.917 4.178 30 40 HIEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 9311424 JKEFQHNXIUOGOX-SRZZPIQSSA-N 409.358 4.145 30 40 HIEB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccccc1C#N 12982716 AJCPSIYEXMFMGM-KRWDZBQOSA-N 419.506 4.192 30 40 HIEB CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 18222389 SAGOWZACXWLYDQ-HNNXBMFYSA-N 419.894 4.220 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 20028889 CEKHGIBJWAYNJI-QHCPKHFHSA-N 421.585 4.369 30 40 HIEB C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 24833507 PKAFZDJKLBAGFF-UHFFFAOYSA-N 412.490 4.400 30 40 HIEB Cc1cc(C)c2cc(C#N)c(N3CCCN(C(=O)c4c(F)cccc4F)CC3)nc2c1 35292293 CWFUOBINUPAUFN-UHFFFAOYSA-N 420.463 4.354 30 40 HIEB CC[C@@H](C)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O 104094890 VCQOHNLQNTWXMY-GFCCVEGCSA-N 416.429 4.431 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 408589571 LYSJTUCJVHTHRV-NQODBETPSA-N 419.912 4.135 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 408802717 GMWBVGCHGHAWSG-GZTJUZNOSA-N 410.857 4.188 30 40 HIEB COc1cc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O 1466054 JFFDEQPKASGQDI-HXUWFJFHSA-N 413.514 4.347 30 40 HIEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1 2366164 NPSDXTICHXMVRW-CVKSISIWSA-N 406.449 4.301 30 40 HIEB CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 5860825 XXZFGWUPDCWIGV-OAHLLOKOSA-N 401.919 4.488 30 40 HIEB NC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 12656531 KVKUNMJJVVGQLJ-YUCJCZDXSA-N 408.310 4.001 30 40 HIEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 12893893 LHYIPIMNUSQWMF-JJFYIABZSA-N 416.385 4.259 30 40 HIEB biogenic CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)o1 14152379 NRPXYGDKKRGQDM-UHFFFAOYSA-N 414.874 4.391 30 40 HIEB C=CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2ncnn21 59210801 PFVAETLVSDCJKX-JOCHJYFZSA-N 415.497 4.387 30 40 HIEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 101628641 QNIHYYNAKYDDOU-VXLYETTFSA-N 411.330 4.426 30 40 HIEB C=CCOc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 225773517 ABIGNHZTBZAMBR-UHFFFAOYSA-N 411.571 4.211 30 40 HIEB C#CCOc1cc(N(C)C)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403481 IEANSOAXVQLFGL-UHFFFAOYSA-N 422.488 4.024 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(O)cc1)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 1436905 RJRXBLCTYDBNFS-SFHVURJKSA-N 406.438 4.464 30 40 HIEB CCCCNC(=S)N(C)/N=C/c1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C 3315703 ITGNDGGIUCMAAP-BUVRLJJBSA-N 414.575 4.211 30 40 HIEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)NCc1ccccc1 3321912 LASXLNYFGCCEPK-UHFFFAOYSA-N 422.554 4.014 30 40 HIEB C[N+](C)(CCCCC(C#N)(c1ccccc1)c1ccccc1)CC[N+]1(C)CCOCC1 4217257 GKPFBMQXTRZTOW-UHFFFAOYSA-N 421.629 4.220 30 40 HIEB in-man COc1ccc(/C=C2\N=C(SCC#N)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 4364853 BJJAQJBAXOUXFV-BOPFTXTBSA-N 413.886 4.358 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1OC 4736371 FSSRUQCNXYEDMD-UHFFFAOYSA-N 416.453 4.149 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3N)c2C#N)C1 6022899 MXJJZBROBFDSDO-CYBMUJFWSA-N 411.527 4.148 30 40 HIEB Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(C#N)cc1 9582689 SCOMFIKYRVZQSF-UHFFFAOYSA-N 418.522 4.120 30 40 HIEB CN(C(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1ccccc1 13144325 NBFUTRHFZTUZSC-VULFUBBASA-N 417.309 4.268 30 40 HIEB Cc1ccc(N2C(=O)/C(=N/Nc3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1 16973713 NBUPSSAILPDANX-LKUDQCMESA-N 414.490 4.128 30 40 HIEB Oc1c(/C=N/C[C@H]2CCCO2)c(-c2ccccc2)nn1-c1nc2ccccc2s1 18022571 NJCCJXFZGQSHMD-BRABVMKYSA-N 404.495 4.453 30 40 HIEB CCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 19205467 DMQLEWCIVWTEMD-VHWNHXCPSA-N 401.532 4.478 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102926833 WBTBKRODBZSCHF-MOBKVPTQSA-N 414.461 4.021 30 40 HIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(I)o3)S2)c1 408767440 XRGBHNWPXIPYPK-WQLSENKSSA-N 410.236 4.084 30 40 HIEB N#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409359577 OXZKXDRJMMJTPR-WQRHYEAKSA-N 412.854 4.162 30 40 HIEB C=CCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1C1CCCCC1 3420577 SCCZXPXFBVNQFC-UHFFFAOYSA-N 420.542 4.038 30 40 HIEB CCOc1cc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)ccc1OC(F)F 5321445 VWVAMRPSIPVVKW-VBKFSLOCSA-N 419.424 4.073 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 32908483 CDTCBEQDUAJRMM-NRFANRHFSA-N 415.518 4.176 30 40 HIEB C/C(O)=C1/C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 101152671 NAABOMQSKBTHPE-DDITZMBXSA-N 406.316 4.103 30 40 HIEB CC(C)=CCC[C@]1(C)C=C[C@H](OC(=O)C=C(C)C)[C@@](C)(O)C=CC(=O)C(CO)=CC1 263636602 GYXPHGPELZUVGI-HVCNVCAESA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro CC/N=C1\S/C(=C\c2cc(OC)c(O)c(Cl)c2Br)C(=O)N1CC 408855114 CCNBAAMYYJNQOB-OHPBUGIHSA-N 419.728 4.129 30 40 HIEB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 409240536 UKKTXOOTPBGQNW-DEDYPNTBSA-N 408.479 4.210 30 40 HIEB CCCCN1C(=O)[C@](NC(=O)c2ccccc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2265436 FBCOARIPXMQFSN-NRFANRHFSA-N 422.447 4.003 30 40 HIEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C(=O)O)cc1 2438624 KEYHDCISXSVHEP-UHFFFAOYSA-N 414.413 4.435 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 4062369 KSZICRVBQWJCOO-JOCHJYFZSA-N 413.514 4.405 30 40 HIEB C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5205348 MWDXPQSKADUFNU-NRFANRHFSA-N 414.417 4.404 30 40 HIEB CCOC(=O)COc1ccccc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O 6941038 JSMWBYCEKNGLMV-YVLHZVERSA-N 416.886 4.174 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 8740977 WLGNFZJXEKDATL-LJQANCHMSA-N 424.840 4.428 30 40 HIEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)o2)cc1 17092653 QUALSGZZBWMQIZ-HMAPJEAMSA-N 421.434 4.320 30 40 HIEB CSc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 19830718 MRXOWRISFJEJCW-IIBYNOLFSA-N 413.539 4.099 30 40 HIEB biogenic CCSc1nnc(C)n1/N=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1 36611417 WGZGBNORHFPKNJ-QPJQQBGISA-N 414.384 4.309 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 408704602 QJFVVRPVTZQHJI-UHFFFAOYSA-N 422.506 4.332 30 40 HIEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N1CC 408854392 DTBPDZKSDJXWIB-CUNLUVCHSA-N 411.527 4.193 30 40 HIEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1ccc(C(=O)OC)cc1 408908239 QPTJPADZHWZRLM-AUEHGNIOSA-N 424.478 4.134 30 40 HIEB C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC 409220911 HPJVGEYWPGJLPU-MHWRWJLKSA-N 424.316 4.306 30 40 HIEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4[C@H](C[C@]3(C)O)O[C@H](O)[C@@]43O[C@@H]3C[C@@H]12 1772591278 QYDMROXJZOKPRP-BVVRVVBUSA-N 404.591 4.437 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)c1 3122907 GTAVCIBREOKYQJ-XHQRYOPUSA-N 406.354 4.415 30 40 HIEB COc1ccccc1-c1nc2c3c(ncn2n1)OC(C)=C(C(C)=O)[C@@H]3c1ccccc1 5346247 WOVPTFYJDKPVTL-FQEVSTJZSA-N 412.449 4.187 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc21 5619044 SLPVLNYKBXTEGI-CYBMUJFWSA-N 412.471 4.258 30 40 HIEB COc1cc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)ccc1OC(F)F 6648736 BJUQABSHEMSOHL-UHFFFAOYSA-N 405.364 4.090 30 40 HIEB C=C(Cl)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 6904803 QNOANRDGMADBLE-UHFFFAOYSA-N 410.886 4.339 30 40 HIEB CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CC1 9376905 GCNULZZFRLUPJJ-LBPRGKRZSA-N 415.588 4.497 30 40 HIEB CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nnnn1-c1ccccc1 13648050 ZARGQEQSAVOLGP-HMMYKYKNSA-N 407.286 4.076 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/N=C\c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3O)cc2)c1 16997814 KQNVPCLMARLCKC-ZCJKAFFOSA-N 406.354 4.415 30 40 HIEB N#Cc1cn(CCc2nnc(-c3ccccc3)o2)nc1-c1cccc(Br)c1 71195248 FZMREUWXVPXRGS-UHFFFAOYSA-N 420.270 4.477 30 40 HIEB CCCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 102698588 AORZISBGWMBMDH-NHFXJNLRSA-N 422.437 4.300 30 40 HIEB O=C(COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1 408590196 GSBSZZSKYNHIJJ-OEAKJJBVSA-N 405.410 4.163 30 40 HIEB CC/N=C1/S/C(=C/c2cc(OC)c(OCC)cc2Br)C(=O)N1CC 408930088 RXAYHDHMNUGANB-NGCQHBKASA-N 413.337 4.169 30 40 HIEB CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 1531384165 FKCPFLFNVUBFII-BUVRLJJBSA-N 414.421 4.253 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 986802 SZUHKPSXUYBMID-VFOOBRQFSA-N 405.882 4.378 30 40 HIEB COc1ccc(-n2c(N)c(-c3nc4ccccc4s3)c3nc(C#N)c(C#N)nc32)cc1 1744404 RTNWTFNKAPICKC-UHFFFAOYSA-N 423.461 4.031 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 5799610 PSIPQUUSJXBIPC-QFIPXVFZSA-N 414.461 4.259 30 40 HIEB C=CCn1c(C)cc(C(=O)COC(=O)Cc2sc(N)nc2-c2ccc(C)cc2)c1C 6332296 WFNBFOFUCIOYOI-UHFFFAOYSA-N 423.538 4.274 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)cc1 13653582 YYGORXICUBVULP-RANIVTSPSA-N 407.466 4.027 30 40 HIEB biogenic CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 21965142 BDZWWFILSCEWED-OEAKJJBVSA-N 419.393 4.185 30 40 HIEB Cc1ccc(Nc2nc(CN3CCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 22785861 DVJDLYFJKJYVEF-UHFFFAOYSA-N 403.555 4.385 30 40 HIEB CC(=O)c1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N 31079748 HOKSIKISOCAFDY-UHFFFAOYSA-N 420.490 4.035 30 40 HIEB C=CCn1c(COc2ccccc2C)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 34799717 KZTRLJCHMNNAGF-UHFFFAOYSA-N 424.482 4.235 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1 96325043 WKCZQXNJVIOFOY-QFIPXVFZSA-N 415.493 4.169 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 408587346 FNHULKPDXACODG-KEWMMQSOSA-N 407.901 4.279 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)OC)c(C#N)cc2c1 649531 ZOALBMZTWGSQAD-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc2c1CCC2 663276 VFTVXOHXGHVPKG-UHFFFAOYSA-N 415.540 4.028 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 986804 SZUHKPSXUYBMID-BWORXHKJSA-N 405.882 4.378 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 2055221 CQBFXLHUNCZIFJ-NRFANRHFSA-N 413.514 4.261 30 40 HIEB CCOc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1OC 5268455 BGMPWWUVWJHWQM-HXOBKFHXSA-N 416.481 4.101 30 40 HIEB COc1ccc(N2CCN(c3oc(/C=C/c4ccccc4OC)nc3C#N)CC2)cc1 7275607 LGVLWYWSMNENJP-KPKJPENVSA-N 416.481 4.060 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)/C=C/c2ccc(-c3ccccc3F)o2)n1 7780411 UKQIYSXJINQZDP-DYLHUKMJSA-N 410.426 4.284 30 40 HIEB Cc1ccc2[nH]c3c(=O)n(/N=C/[C@@H](C)Cc4ccc(C(C)(C)C)cc4)c(=O)[nH]c3c2c1 9320129 FMGIUPWCRCVTIE-HEOQCTJZSA-N 416.525 4.490 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccc(OC)cc2)cc1 12407373 XFKLBKDCJYFOQF-YCRPNKLZSA-N 418.453 4.066 30 40 HIEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccccc4Cl)nc3C#N)CC2)cc1 12418313 DLWNYFGNEXYBHA-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB Cc1c(NC(=O)c2ccc(C#N)cc2)cccc1C(=O)N1CCc2sccc2C1 12913166 YIYFBOYYURDMQS-UHFFFAOYSA-N 401.491 4.379 30 40 HIEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 13566929 SITXVICDKLUHIX-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38855721 WFIWBICZJRRGLW-SFHVURJKSA-N 411.933 4.107 30 40 HIEB CCOC(=O)C/C(C)=N/c1ncn(-c2ccc(OC)cc2)c1C(=O)c1ccccc1 100218344 VNPMNJOJSDMZEX-PCLIKHOPSA-N 405.454 4.158 30 40 HIEB CC1=CC(=O)/C(=C2/C[C@H](c3ccc(OC(F)F)cc3)N(c3ccccc3)N2)C(=O)O1 227173320 GGJKWMBIRGUDHJ-GMQRBVGNSA-N 412.392 4.028 30 40 HIEB COCCN1C2=C(C(=O)CCC2)C(c2cn(C)c3ccccc23)C2=C1CCCC2=O 408897768 ODUIISAJOKLAOC-UHFFFAOYSA-N 404.510 4.238 30 40 HIEB COc1cccc(/C=N/c2cccc(C(=O)O)c2)c1OCc1ccc(C(=O)O)cc1 409187192 NESFGOQMGYLSJG-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 4309025 DDDMJVPFNBFLRY-UHFFFAOYSA-N 415.478 4.189 30 40 HIEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OC 4600056 XIWZYGMAGUORDT-FYJGNVAPSA-N 405.292 4.054 30 40 HIEB COc1ccc(/C(=N\OC(=O)c2ccco2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 5526813 YSKMMBKDDLGVEC-BTMXNRKFSA-N 405.406 4.382 30 40 HIEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(O)c(Br)c2)C1=O 12469750 RMHBEAPSVMTRKC-PXNMLYILSA-N 415.268 4.263 30 40 HIEB C[C@H]1S/C(=N/N=C\c2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O 104269234 PFEHTPBUONTSDE-PLNCJUGGSA-N 411.870 4.467 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 226337470 ODXUTLFHQLHHSX-RMKNXTFCSA-N 401.802 4.025 30 40 HIEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S1 409096847 FDRCDQWIDDMWAH-UYRXBGFRSA-N 413.930 4.377 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409304294 KWBARBSZJGKOIN-UHFFFAOYSA-N 421.298 4.394 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C#N)cc2c1 6134248 KJLJLCJGMYDFCE-UHFFFAOYSA-N 422.466 4.453 30 40 HIEB C=CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 9195658 MRNIOJOJCJOLRT-INIZCTEOSA-N 424.526 4.171 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 19138420 GYVXAWVGPYVNJL-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c(Br)c3)S2)cc1 408766417 QHCIJXFFTFMELW-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC#N 408786709 UWUPCACMBGSNKI-RNHBDSLOSA-N 405.523 4.479 30 40 HIEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O)cc3)cc12 409301818 BGKCBNFMWQXFJG-UHFFFAOYSA-N 411.417 4.406 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 409352356 VKRBWJQCHHOMGN-CAOOACKPSA-N 411.870 4.195 30 40 HIEB Cc1cc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C 1531169500 ONPLKZFPKMLHRX-JJFYIABZSA-N 415.335 4.294 30 40 HIEB C=C(C)CSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4 1306553 QUPWQSQVHQJJDI-UHFFFAOYSA-N 424.551 4.260 30 40 HIEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 1378529 IHSYHSYXSLQGSS-GOSISDBHSA-N 418.950 4.010 30 40 HIEB CCCCCCCCNc1cccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 2334583 QSKVWBUQVMSKIY-UHFFFAOYSA-N 400.523 4.195 30 40 HIEB C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 3592509 DRLUYBMHXNXYOD-HUUCEWRRSA-N 404.967 4.381 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)sc2c1CCC2 11347260 LWETVRZRYFMHHQ-UHFFFAOYSA-N 421.507 4.371 30 40 HIEB C#CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 19804587 MWGCXBLVVMLKLY-FQEVSTJZSA-N 419.864 4.093 30 40 HIEB Cc1ccc(/N=C2\C(=O)N(CN3CCN(c4ccccc4)CC3)c3ccccc32)cc1 20357398 LLTLKJKJDWRXLU-RFBIWTDZSA-N 410.521 4.242 30 40 HIEB C=CCOc1c(Br)cc(CN[C@@H](C)[C@H](O)c2ccccc2)cc1OC 22076657 YUXGLRBWMRCTJB-LIRRHRJNSA-N 406.320 4.234 30 40 HIEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 33728556 GWPDNIILWJXAAB-UHFFFAOYSA-N 410.455 4.023 30 40 HIEB CC(C)N(C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 40152832 OTBWTGZITCQDOU-KRWDZBQOSA-N 402.495 4.328 30 40 HIEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713120 MQPJOWOYLZIOAZ-BREAQWACSA-N 407.853 4.340 30 40 HIEB Cc1[nH]nc([C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1[N+](=O)[O-] 95677054 PFLNFQQYSZYSCT-RXMQYKEDSA-N 411.127 4.118 30 40 HIEB C#CCn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cccc(OC)c21 100910213 XMXGWKHBMYVHPM-MRCUWXFGSA-N 423.475 4.209 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 104198490 IUZANUCAQDKMIP-MOBKVPTQSA-N 415.493 4.012 30 40 HIEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C#N)c1 225781553 JULGIGITKQKVNN-QGZVFWFLSA-N 408.498 4.431 30 40 HIEB C=CCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(CC)cc1 1443604 AHGYQRTYOREWQF-HXUWFJFHSA-N 407.539 4.074 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 1506015 FTDSEZIAMKBRFG-LQDNNDEMSA-N 413.860 4.090 30 40 HIEB biogenic CCc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3OC)c(C#N)cc2c1 4848928 XSLGNLQVWQALKF-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1 5237103 GXWFIHRXPGMLFN-YDZHTSKRSA-N 403.935 4.302 30 40 HIEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238313 PMNXMTHOHGARME-HNNXBMFYSA-N 404.495 4.045 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 6080255 DCWIFGZOTZHSQS-OAQYLSRUSA-N 411.417 4.001 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c(OC)c1 6294818 DFRPEMVSVMQLLM-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 6813681 OSJQPTAIBQRBOX-DNVCBOLYSA-N 415.848 4.236 30 40 HIEB CCOc1cc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)ccc1O 17159732 ZWBANUXPQQQLIG-SSDVNMTOSA-N 407.451 4.467 30 40 HIEB C=CCn1c(SCc2cccs2)nnc(Nc2ccc(OCC)cc2)c1=O 28538821 GJFSNPHFSSJMDU-UHFFFAOYSA-N 400.529 4.320 30 40 HIEB CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 57999367 ZECVLFSFNCSXGV-LRWZUSMTSA-N 417.918 4.329 30 40 HIEB Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)c1 59484499 SATGKXVTWNANML-PGAZUGQPSA-N 407.469 4.053 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 102804127 YMNYVQGHIWAMPM-LFVOPCPISA-N 424.840 4.271 30 40 HIEB CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1 408718424 XEDBUWLQCZDMFU-UHFFFAOYSA-N 417.373 4.494 30 40 HIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 408859690 PEJCBJFQJLGALD-SXGWCWSVSA-N 403.847 4.457 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2cc1OC 1355188 UAFSPFMVPMBRMA-UHFFFAOYSA-N 419.506 4.195 30 40 HIEB CCc1sc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1Br 5399957 VJOONURAUUCORG-QGZVFWFLSA-N 410.333 4.214 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccnc2Sc2ccccc2)n1 6606117 YLDKKNFSWIOLFC-MRXNPFEDSA-N 409.492 4.031 30 40 HIEB Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cccc(C#N)c3)c2)c1 8185192 NOMZGQCLYUFTGG-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2ccccc2c1=O 8282386 JQRLUYHMPWFKRF-CVEARBPZSA-N 405.523 4.041 30 40 HIEB COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3Br)NC2=O)c1 16692821 KPOLMFAWXGSHTO-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(C)C 30883370 QWRFZWZHXUJQOH-ZJOUEHCJSA-N 408.502 4.265 30 40 HIEB biogenic,in-vitro O=C(COc1ccc(Br)cc1)Nc1cccc(C#Cc2ccccn2)c1 40049498 XGOSJOSEZHNZDU-UHFFFAOYSA-N 407.267 4.261 30 40 HIEB CC(C)(C)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741029 JJWBVAXNOHSKAS-FZJZADEZSA-N 413.930 4.404 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c2ccccc12 803689 OGSBYTGQRYRNDF-FQEVSTJZSA-N 421.493 4.339 30 40 HIEB CC(C)/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C(C)C 1001548 RHNQCGOVRCCMEW-UXPDKRSESA-N 402.347 4.439 30 40 HIEB Oc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc2cccnc12 1868730 FPWHWNMLOLWGAI-KEBDBYFISA-N 401.289 4.023 30 40 HIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OCC)cc1 2328374 PLQYQDAXBPRXNE-UHFFFAOYSA-N 414.556 4.246 30 40 HIEB CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 4103407 KGISDRAVHYRWIC-QGZVFWFLSA-N 410.451 4.226 30 40 HIEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1OC 7504726 GBXOXAXCRVTAFI-UHFFFAOYSA-N 401.466 4.001 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc(C)cc2)cc1 8559760 VTGKOOHBFNCECY-MBSDFSHPSA-N 400.482 4.319 30 40 HIEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)c(CSc3ncccn3)c2)cc1 9425379 XCQAAVLIVZUGAP-UXBLZVDNSA-N 420.490 4.460 30 40 HIEB C=CCn1c2ccccc2c2nnc(Sc3cc([N+](=O)[O-])c4nsnc4c3)nc21 12363724 CJJHPSMALVVBND-UHFFFAOYSA-N 421.467 4.230 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1F 26532856 PULKZMIRYMFDPS-LJQANCHMSA-N 408.454 4.369 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@@H]1C(=O)/C=C(/C)CC[C@H]1OC(=O)C=C1C 1772591047 CBKCPLQQBQROID-WCWXLPDWSA-N 416.558 4.348 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2sc(C)cc2c1=O 784838 CLNIFGDJNLKQFO-UHFFFAOYSA-N 415.540 4.082 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C#N)c1C 2765929 MHWAMVKLTGEXJQ-UHFFFAOYSA-N 420.878 4.224 30 40 HIEB C=CCn1c(SCCOc2ccc(F)cc2)nnc1[C@@H]1COc2ccccc2O1 8401939 SGTZCFGHXUGEJY-IBGZPJMESA-N 413.474 4.287 30 40 HIEB N#Cc1ccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 9217260 FXRKNQQREFAUIY-UHFFFAOYSA-N 413.502 4.488 30 40 HIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)ccc2c1=O 11716394 MZAUSOSNVZFAGW-UHFFFAOYSA-N 422.510 4.092 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 12322908 MIPUWJARNBMVMA-WYRIXSBYSA-N 424.482 4.128 30 40 HIEB N#Cc1ccc(OCCSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)cc1 12741922 JDZNRSKBALHCRA-UHFFFAOYSA-N 423.885 4.217 30 40 HIEB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccccc1C#N 12785470 IEHAVOLZHIPWDQ-OAHLLOKOSA-N 424.522 4.450 30 40 HIEB COc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nn(CCC#N)c2C)n1 12924868 FLVBKJAEHYHLST-UHFFFAOYSA-N 423.542 4.425 30 40 HIEB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2c(C#N)cnn2C)cc1 12982088 GTSMSUGOBCUCTP-UHFFFAOYSA-N 410.481 4.268 30 40 HIEB C=CCC1=C[C@@](OC)(/C(C)=C/c2cc(OC)c(OC)c(OC)c2)C(OC)=CC1=O 14658194 LNCSXXRCEFAYFK-WIJYMUHASA-N 400.471 4.116 30 40 HIEB biogenic COc1ccc([C@H](C#N)NCCCCCCN[C@@H](C#N)c2ccc(OC)cc2)cc1 31870884 NDJLUMWEIGSKMI-ZEQRLZLVSA-N 406.530 4.273 30 40 HIEB CCCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102530939 MZOXUEMUOCZKCJ-JBCNATCCSA-N 418.449 4.085 30 40 HIEB C#CCOc1c(Br)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409115249 LACCXSRKAYUWSA-WJDWOHSUSA-N 412.283 4.377 30 40 HIEB C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CCC3 3318807 VAEPUJAIKDCURN-ZIAGYGMSSA-N 417.600 4.014 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1 3557855 XDSLOLZETPKHKR-UHFFFAOYSA-N 412.536 4.059 30 40 HIEB O=C(O/N=C1/CCCc2c1sc1nc3n(c(=O)c21)CCCCC3)c1ccccc1 4084316 CXIYBFADLSLZGN-JLPGSUDCSA-N 407.495 4.082 30 40 HIEB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 4993252 NGXAZCGJEIXLNY-HSZRJFAPSA-N 418.493 4.310 30 40 HIEB Cc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)c(C)c1 14202366 BNSKVUFAKOUIEI-UHFFFAOYSA-N 406.555 4.109 30 40 HIEB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1 17081876 AKDXHPBUAGTWOC-UHFFFAOYSA-N 400.463 4.486 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2 18199753 CWDCOANPEPCYPJ-HRAATJIYSA-N 424.460 4.112 30 40 HIEB COc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 19815812 MXJSCHCQFUMPMD-UHFFFAOYSA-N 400.463 4.058 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2c(Cl)cccc21 32105305 VKYWXBCHUVNVII-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB CCN(CCC#N)c1ccc(/C=C2/N=C(c3cc(OC)cc(OC)c3)OC2=O)c(C)c1 96635118 IGGSXSZCCJGDAR-HYARGMPZSA-N 419.481 4.097 30 40 HIEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)/C1=C(\O)c1ccco1 102732796 PQUDGBSFMNKUHN-DPEHCCBOSA-N 416.220 4.003 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1)S(C)(=O)=O 218390631 WMPQOKQINHCPNR-UHFFFAOYSA-N 414.527 4.212 30 40 HIEB COc1ccccc1NC(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C 838414 KQEDWSKTEUBZFK-UHFFFAOYSA-N 411.508 4.432 30 40 HIEB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2cccc3ccccc23)C1=O 3309444 RRFNCNUQCLKOME-WGBQGACBSA-N 409.392 4.242 30 40 HIEB COc1cc(-c2nc3ccccn3c2/N=C/c2cc(OC)c(O)c(OC)c2)ccc1O 5634297 OPUBZXOYEGOEKK-ZMOGYAJESA-N 419.437 4.189 30 40 HIEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3cccc(Cl)c3)nc2C#N)CC1 12418375 BECZPYYTOZAYGA-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(CC#N)cc4)c(=O)c23)s1 14095936 VPCIOUDMAZTVFI-UHFFFAOYSA-N 420.519 4.200 30 40 HIEB O=C(C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)c1ccc(Cl)cc1 16739617 CMTKCRQZRPSHDT-PPAWOMOGSA-N 406.294 4.188 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)O)cc1 19973741 FTVVHJREFBNMEO-UHFFFAOYSA-N 423.509 4.123 30 40 HIEB FC(F)(F)C1(I)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681780 WKHPXJGCMGZHKR-UHFFFAOYSA-N 407.948 4.277 30 40 HIEB in-vitro CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 100924261 XCJGHFFHUXBZBJ-KRWDZBQOSA-N 408.495 4.333 30 40 HIEB O=C(Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21)NCc1ccco1 409137094 WIGUPSVOUFYSOT-UHFFFAOYSA-N 410.429 4.013 30 40 HIEB C=CCNC(=O)/C(=C\c1ccc(-c2cccnc2Cl)o1)NC(=O)c1ccccc1 4983424 ZMLGKJGMDMZHAG-NBVRZTHBSA-N 407.857 4.068 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccc(C)cc4)C3=O)n2)cc1 13942553 CMLIKBYTNLVJKO-CLCOLTQESA-N 405.483 4.318 30 40 HIEB Cc1ccc(NCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCCCC3)cc1 27028894 SEERIBJVOPILJV-UHFFFAOYSA-N 409.941 4.354 30 40 HIEB Cc1nn(-c2ccccc2)c2sc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc12 35448677 KQNBAFBELNIQFA-KRWDZBQOSA-N 416.510 4.203 30 40 HIEB COc1ccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 48342350 CCJCQDZWVOJMQP-DHIUTWEWSA-N 400.434 4.111 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102512816 PROBYIFWEDZMDT-HOGKFDNTSA-N 417.461 4.473 30 40 HIEB C#CCOC(=O)c1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1 216831002 DWFKEASNLQFQKX-UHFFFAOYSA-N 407.235 4.356 30 40 HIEB CC(C)(C)[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccco1 408952567 KRWYFQRXKNFHJK-LBPRGKRZSA-N 404.282 4.049 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 1102376 ITFPBPRJWUZEDK-NRFANRHFSA-N 417.392 4.337 30 40 HIEB CCC[C@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 5030637 FOXYDHCYCFBZHT-ARGSHCIWSA-N 424.570 4.395 30 40 HIEB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)NC1(C#N)CCCCC1 5305111 BMXKWQUREKJVRH-CQSZACIVSA-N 410.495 4.195 30 40 HIEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCC3)cc2)c(C#N)c1C 5373416 BOIFGWVJDHOKMZ-UHFFFAOYSA-N 417.556 4.052 30 40 HIEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)c1 13470814 GVERFIGASQKERG-SFHVURJKSA-N 421.478 4.110 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(COc3ccccc3Cl)o2)cc1 17083053 KNNMNYWXLXCNLW-CIAFOILYSA-N 404.875 4.133 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(NC(C)=O)c3)c2)c1 32905881 ULAONCXTMBILEI-UHFFFAOYSA-N 412.445 4.084 30 40 HIEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223364702 FVCPHXCXQGMJIY-RUZDIDTESA-N 414.505 4.138 30 40 HIEB C=CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1I 408592669 NHPAMSYIJFKVQK-CIAFOILYSA-N 418.234 4.278 30 40 HIEB N#Cc1cccc(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 3324472 GLLRRUNQWYLHTO-IBGZPJMESA-N 407.520 4.211 30 40 HIEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 5337968 ASRAPFPMWQTWTF-WSDLNYQXSA-N 413.397 4.131 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(OCC)c1 6891524 WCCDYHAKKZDWBA-WYMPLXKRSA-N 416.934 4.007 30 40 HIEB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N 12874552 PUKVXHWGQLRSGR-BTYIYWSLSA-N 423.900 4.352 30 40 HIEB COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)c(OC)c1 13690221 VIRLEUFDRJINEH-YVNNLAQVSA-N 416.433 4.072 30 40 HIEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59247828 JCQKNMDEXSKJSK-WYMPLXKRSA-N 420.421 4.028 30 40 HIEB O=C1[C@@H](c2ccccc2)S/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1 100842616 GXJKSVVWQRWBMW-LURZSEBBSA-N 408.504 4.380 30 40 HIEB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)c(C#N)c1C 101114467 IGOTXEVYQJHYML-GZTJUZNOSA-N 422.510 4.440 30 40 HIEB CCCOc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 102726496 BMXAZPNOKNGTHO-JBCNATCCSA-N 418.449 4.398 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718707 FPZUPDWKFLGWOC-AWEZNQCLSA-N 404.388 4.262 30 40 HIEB COc1cc(Br)cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c1O 408809051 HLTIZXIUMXTHKL-UHFFFAOYSA-N 410.271 4.655 30 40 HIEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)O)c1 408849708 YIWXIYZZCGEXHE-YDZHTSKRSA-N 421.409 4.327 30 40 HIEB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)NC1=S 409077630 FRAANGGWVQVISC-UNOMPAQXSA-N 421.522 4.004 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)c(OC)c1 524729311 NOUXRSGXVDVKBF-OBLBUWMUSA-N 418.401 4.354 30 40 HIEB biogenic C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCC(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 4084974 FQUGTMQIPAOEGK-NSWATTKLSA-N 423.597 4.468 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(OC)cc1 5478616 SUQJLPOQLPEDRK-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 6015174 SNUNIUSLSOLNJN-JOCHJYFZSA-N 423.509 4.433 30 40 HIEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CNCCO 6415744 JREAFELZSSHHGP-ZXHYAQOVSA-N 403.563 4.246 30 40 HIEB C=CCn1c(COc2ccccc2C)nnc1SCC(=O)c1ccc(OC)cc1 6861215 WSKSYGDTNRCVAR-UHFFFAOYSA-N 409.511 4.335 30 40 HIEB CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 8209374 AQRPPYGTBPPUKG-UHFFFAOYSA-N 413.543 4.313 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1cccs1 8904907 RACPCKRHTWFKLU-NHFXJNLRSA-N 424.522 4.258 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 9171164 FFJYNRAYHYVSMC-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2scc(C3CC3)c2c1=O 11340488 UHBUCNAKAZWEIB-UHFFFAOYSA-N 422.535 4.050 30 40 HIEB N#Cc1c(N)nc(SCC(=O)Nc2ccc(F)cc2F)c(C#N)c1-c1ccccc1 19852395 JCWFDANEBSWOLV-UHFFFAOYSA-N 421.432 4.083 30 40 HIEB N#Cc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)cc1C(F)(F)F 48514112 WGCCYQRSFOOEPW-UHFFFAOYSA-N 408.401 4.344 30 40 HIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc(OC)c1OC 100753439 COQVSAAWRWLXMX-UYAOXDASSA-N 404.514 4.045 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(OC)c2)cc1 102801404 GVADVLMCLVJTDA-MOBKVPTQSA-N 415.445 4.330 30 40 HIEB C=CCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 224375889 OBBWDESAHBJVPQ-UHFFFAOYSA-N 420.534 4.306 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1cccc(C)c1 409143245 MBZQMRYGDORAJA-OAQYLSRUSA-N 419.477 4.038 30 40 HIEB COC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 814722 ZFVXSSCKAWGUIQ-VIFPVBQESA-N 413.282 4.428 30 40 HIEB N#CCCn1cc(/C=C2\N=C(S)N(c3ccccc3)C2=O)c(-c2ccc(F)cc2)n1 9090535 GOXNNUSIVUHQJV-UYRXBGFRSA-N 417.469 4.276 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)n1ncnc1N2 18200412 PMAHBORQZVEAIB-XIKOKIGWSA-N 400.360 4.306 30 40 HIEB COC(=O)c1c(C)nc2ccn(-c3ccccc3C#N)c(=O)c2c1-c1ccc(F)cc1 19819252 UCNYTVWUNHHUDV-UHFFFAOYSA-N 413.408 4.159 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccncc1 19830827 BKMFVQKUGFSMRM-FDDCHVKYSA-N 418.493 4.015 30 40 HIEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC)cc1 100253459 MVMKYQJCWHMCJW-UMWYYCSLSA-N 413.455 4.323 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1C 102862929 FBAVNIMYEHAUCI-YDJIHCHBSA-N 422.412 4.065 30 40 HIEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 408743623 WJCDPDXEKGRPOK-ZSOIEALJSA-N 404.245 4.249 30 40 HIEB CCOC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1 408753854 OGTJLUNPMHTMKE-UYRXBGFRSA-N 410.495 4.083 30 40 HIEB CCOc1cc(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 409104811 INLSWLMWJMEZHT-QPSGOUHRSA-N 404.186 4.413 30 40 HIEB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OC(C)=O 409160123 SPQCSHSIYXZGEU-RGVLZGJSSA-N 422.462 4.119 30 40 HIEB COc1ccc([S@](=O)(O)=NCCNc2nc3cc(C)c(C)cc3cc2C#N)cc1 409416055 JGAMNFFLJSKGBU-UHFFFAOYSA-N 410.499 4.144 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1cccc(Cl)c1 868517 LZHAFYGVQGABEJ-DVCONVQISA-N 417.918 4.329 30 40 HIEB Cc1ccc(CON/C=N/C(=O)N2OC[C@@H]3COc4ccc5ccccc5c4[C@@H]32)cc1 5217413 DUYKQCWELCTMRL-WMZHIEFXSA-N 417.465 4.315 30 40 HIEB CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 12524534 SKNCCBOFKNIPRM-LYBHJNIJSA-N 421.328 4.104 30 40 HIEB COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/N=C/c2cccc3[nH]ccc23)cc1 31819056 GFCCGGFLTGAGAB-XODNFHPESA-N 414.553 4.320 30 40 HIEB COc1ccc2nc(NCCCNC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 35312337 NSNDUKJEBLVADK-UHFFFAOYSA-N 409.877 4.392 30 40 HIEB COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)cc2c1C 48230711 FDYCVQUTDDUTLX-VMPITWQZSA-N 422.506 4.124 30 40 HIEB C[C@@H](Oc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1)C(=O)O 59302772 RVQPOCHVYTWUGK-FFCYNSPCSA-N 402.859 4.084 30 40 HIEB C#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409043009 YVSQWDBEUIDPNA-HOEBFWFUSA-N 421.110 4.175 30 40 HIEB Cc1cc(/N=C\c2ccc(N3CCOCC3)cc2)ccc1I 409101988 CEUTYCVZNIXIHP-MOSHPQCFSA-N 406.267 4.187 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 1060107 SVIRSPJEQHMQSZ-LQDNNDEMSA-N 413.860 4.090 30 40 HIEB biogenic COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 4159531 HCKGXUZYMIVJGZ-SBUZPKSBSA-N 408.310 4.166 30 40 HIEB O=C(CO/N=C(\c1ccccc1)[C@H](O)c1ccccc1)N1CCCc2ccccc21 6078882 IWRCSKGSAHCSRS-NPJIAGGLSA-N 400.478 4.120 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2C1=O 12816182 XITVWHPLEDWADC-UHFFFAOYSA-N 403.463 4.153 30 40 HIEB Cc1ccc(-c2nc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cs2)cc1 12992287 UEBUCKVNXIZPFV-OAQYLSRUSA-N 420.513 4.280 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(Br)c1)n1ncnc1N2 14608164 CGVJFIJABFOYMI-SGTLLEGYSA-N 411.259 4.049 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19015914 RETBSXFNZGMFGC-AREMUKBSSA-N 420.528 4.356 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1)S(C)(=O)=O 22512575 ZTDLILFDIWZZNJ-OAQYLSRUSA-N 400.544 4.156 30 40 HIEB CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@@](C)(O)/C=C/C(=O)/C(CO)=C\C1 85981480 GYXPHGPELZUVGI-MWHLVWLUSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 102804278 WXIQSQGZKMOHDF-UYTDBDHRSA-N 400.843 4.324 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc(C)c(O)c1)C2 585107414 VDFGFLDYOHETOV-VWLOTQADSA-N 414.509 4.024 30 40 HIEB COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OCCc1ccccc1 948192 XONTVRPZLIDDJQ-FSJBWODESA-N 422.432 4.098 30 40 HIEB CCOC(=O)c1c(CSc2nc(C)ccc2C#N)oc2ccc(OC(C)=O)cc12 1104364 IATPSTRSLOYUBA-UHFFFAOYSA-N 410.451 4.402 30 40 HIEB C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4 2273942 XNUDTFJKIWXNMV-UHFFFAOYSA-N 424.551 4.224 30 40 HIEB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N/Nc2ccccc2)cc1/C=N\Nc1ccccc1 4701214 NOVQSYNGBUBTNR-VOKWCDJLSA-N 404.386 4.395 30 40 HIEB N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 10219069 RIKSOWOWRGEESR-UHFFFAOYSA-N 422.959 4.345 30 40 HIEB C=C(Cl)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 10416281 FQGUMBPKHBOOFF-UHFFFAOYSA-N 402.903 4.307 30 40 HIEB COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1 13727556 XPHXIMRGKKEYTK-LJQANCHMSA-N 424.840 4.115 30 40 HIEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)Nc1ccc(Cl)cc1)OCO3 35310792 ONTJLVAXWMHOQD-UHFFFAOYSA-N 423.860 4.112 30 40 HIEB COc1ccccc1Nc1nc(-n2nc(C)cc2C)c2c(c1C#N)CC(C)(C)OC2 95477729 VIAKLRZLWUPXGH-UHFFFAOYSA-N 403.486 4.359 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)[C@H]1C=C[C@H]2C1 137828343 BWVRVPKSJXZVTD-CXIATSAMSA-N 401.249 4.394 30 40 HIEB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 223937008 GOGMAQISOXWEAD-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 409100419 VWDZEHQOTSVPRG-OMCISZLKSA-N 400.572 4.375 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 1102377 ITFPBPRJWUZEDK-OAQYLSRUSA-N 417.392 4.337 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1895621 GGVBKKUCEDNZDY-WBRURWICSA-N 401.513 4.163 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2cc3ccccc3cc2O)sc2c1CCCC2 3313105 XROCSTDZLUHJSV-UHFFFAOYSA-N 406.463 4.153 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S 9260143 ZIOSTZATYYMAIS-GXDHUFHOSA-N 420.968 4.365 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@@H]3c2ccc(C(C)C)cc2)cc1 9660449 RXMCLRYAOYCCAH-WZONZLPQSA-N 415.497 4.221 30 40 HIEB CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 9712836 TWOCYZNECYIYHD-UHFFFAOYSA-N 424.913 4.455 30 40 HIEB CCCCC(=O)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 15906628 CPDDFDODRAQKNT-DYTRJAOYSA-N 419.266 4.210 30 40 HIEB CCOc1ccc2nc(NCCCNC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1 19519949 BSRNHCKDHTUDJS-UHFFFAOYSA-N 408.889 4.391 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OCC)c1 20633227 UBWIXYWWLZCWBS-NRFANRHFSA-N 405.454 4.159 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5OC)CC4)[C@H]3C[C@@H]12 59408567 XPFOUNMBEZRCMG-KBDYNSQWSA-N 424.585 4.131 30 40 HIEB biogenic C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 72345304 PSCOWWUAUIONJP-HYBUGGRVSA-N 416.565 4.463 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 100974193 YMRPGHAEIFMDGJ-LRXSNBMBSA-N 412.536 4.096 30 40 HIEB N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218234764 VRJNPZILLQFPQT-HZPDHXFCSA-N 421.703 4.076 30 40 HIEB O=C1[C@@H](c2ccccc2)SC(=Nc2ccccc2)N1S(=O)(=O)c1ccccc1 254556534 GXJKSVVWQRWBMW-LJQANCHMSA-N 408.504 4.380 30 40 HIEB aggregator CCOc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)ccc1OCC(N)=O 9544608 YCIKWWAJDUTXTQ-GZIVZEMBSA-N 416.692 4.356 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 9665904 AXKFIOLHCGCKPK-UHFFFAOYSA-N 418.836 4.238 30 40 HIEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(Cl)cc2F)nc1C 12874100 XYYNLHNNJQECDY-UHFFFAOYSA-N 409.899 4.230 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc2c(c1)OCO2 13776763 QKURRBMJRVKKDZ-NKVSQWTQSA-N 404.349 4.390 30 40 HIEB C=CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccco1 23201970 SJYUYMXSSJXTJG-GFCCVEGCSA-N 413.528 4.492 30 40 HIEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2cc(Br)ccc2N1C1CSC1 223761543 MXDHGDUOANOCOV-PGMHBOJBSA-N 422.735 4.381 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)c(C)c1 1433806 LYCGCGJQFRSKOJ-PGAZUGQPSA-N 407.469 4.053 30 40 HIEB biogenic COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(OC)c2)cc1 4498591 DKZHMKMREXNSFR-OJLHXUGZSA-N 417.465 4.400 30 40 HIEB COc1ccccc1N1CCN(/N=C/c2cccc(OCc3ccccc3)c2)CC1 5024534 GYUUIHLDVIQPSI-LGUFXXKBSA-N 401.510 4.430 30 40 HIEB CC(C)c1ccc(-c2nnn(CCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 7919362 UHPHOODGSZSZEA-UHFFFAOYSA-N 420.542 4.304 30 40 HIEB N#Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 15009445 AXTNICJCVJLEOK-UHFFFAOYSA-N 400.715 4.165 30 40 HIEB O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 15134910 ZEIKFOCAJLTVNQ-LOLMUVSESA-N 421.265 4.496 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 19535661 KPDUHHGDYXEYCL-QHCPKHFHSA-N 403.478 4.407 30 40 HIEB C=C(C)Cn1nc(C)c(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c1C 19577988 OJPYKRBAQKJJTK-GOSISDBHSA-N 423.586 4.267 30 40 HIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182641 GXLQEMKQAHTKMV-YVNNLAQVSA-N 421.449 4.228 30 40 HIEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCCCCC)c(OC)c1 28290289 UDBGEFNIGPQMEX-FQEVSTJZSA-N 418.559 4.176 30 40 HIEB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 66091506 MZEXGTCYJKNLPW-FQEVSTJZSA-N 412.486 4.398 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(C(=O)O)cc1 97466986 DSJKTEPZUHUYKQ-PMDYYOJLSA-N 402.859 4.368 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102401941 CWLIPUQOONQPCG-YUAKHZOXSA-N 411.523 4.472 30 40 HIEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl 224939720 SZTNJNWTELYAAC-UHFFFAOYSA-N 414.310 4.470 30 40 HIEB O=C(O)COc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408749092 LFXGWRZXKHKVGU-VIZOYTHASA-N 423.277 4.348 30 40 HIEB Cc1ccc(-n2c(C)c(C)c3c(NC(=O)COc4cccc(C#N)c4)ncnc32)cc1 1538512171 JLWNRQXNOJAMFR-UHFFFAOYSA-N 411.465 4.235 30 40 HIEB CC(C)C1=CC(=NS(=O)(=O)c2ccc(Br)cc2)C=C(C(C)C)C1=O 3078240 GIMZOAVACJUPNI-UHFFFAOYSA-N 410.333 4.326 30 40 HIEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5161815 XLVODEIZSYWTTH-PKSBALPTSA-N 403.228 4.006 30 40 HIEB CCOc1cc(C#N)ccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 7410536 MKOGWDQPQBKFTB-UHFFFAOYSA-N 400.434 4.471 30 40 HIEB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(OC)cc1 8341158 IJKNJPVTKAVRKY-JTHBVZDNSA-N 405.498 4.285 30 40 HIEB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 16172007 ZSSBCOWDGLHYCQ-HXUWFJFHSA-N 420.513 4.280 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccccc3F)CC2)nc1 58061853 CLCPNQUJAJQTGH-UHFFFAOYSA-N 404.445 4.135 30 40 HIEB C[C@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 102771421 ZHYAMNDNASALDO-LVGPCEQESA-N 418.474 4.093 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 102863829 CROJBUGKJPWAQB-MOBKVPTQSA-N 418.493 4.196 30 40 HIEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCN(C)C2 2263088 UNVCFECJFCREGX-AWQFTUOYSA-N 423.332 4.131 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@]12C#N 4328269 LAPWMKGSGLMNJI-RLLQIKCJSA-N 411.600 4.176 30 40 HIEB O=C(CO/N=C(\c1ccccc1)[C@@H](O)c1ccccc1)N1CCCc2ccccc21 6078880 IWRCSKGSAHCSRS-IUKMQXEJSA-N 400.478 4.120 30 40 HIEB CCOc1cc2c(cc1/C=N/n1c(-c3ccccc3)nc3ccccc3c1=O)OCO2 6351125 IUMDBZKWHQUQJM-AFUMVMLFSA-N 413.433 4.073 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 9108560 DOYPQUVEUMDIHR-NRFANRHFSA-N 401.418 4.184 30 40 HIEB Cc1cc(C)cc(NC(=O)NCCCNc2nc3cc4c(cc3cc2C#N)OCO4)c1 35310790 RSPVAVSLXBZDHO-UHFFFAOYSA-N 417.469 4.076 30 40 HIEB C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)ccc1OC 36360346 QYXXLVQMTAUBMM-GOSISDBHSA-N 403.438 4.025 30 40 HIEB N#Cc1ccc(CN2CCC(Nc3ccc(I)cc3)CC2)cc1 96009181 RJFZSDOTKLWUEH-UHFFFAOYSA-N 417.294 4.239 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)ccc1OC 408839937 BNWIPXZCBKPWIS-IBGZPJMESA-N 409.869 4.480 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409125140 CHUDNXGLAYODNH-LDADJPATSA-N 413.271 4.107 30 40 HIEB c1ccc(CC/N=C2/NCCCCCOc3ccccc3Oc3ncccc32)nc1 643572010 YNFRAYNUSCHQJS-UHFFFAOYSA-N 402.498 4.411 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c(C)c1 1433805 LYCGCGJQFRSKOJ-ZCOIRKDISA-N 407.469 4.053 30 40 HIEB biogenic COc1cc2nc3c(C#N)cc4cc5cc(C)cc(C)c5nc4n3c(=O)c2cc1OC 3182723 XEYKIKIUFWVOCH-UHFFFAOYSA-N 410.433 4.055 30 40 HIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc2c(c1)OCCO2 5456929 KOPPFTBJPYVAPG-VULFUBBASA-N 411.465 4.447 30 40 HIEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1sccc1C#N 12975926 WYSIFKIDDHKWAQ-UHFFFAOYSA-N 416.524 4.123 30 40 HIEB C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1[C@@H]1COc2ccccc2O1 12979056 ZGBQEXBAFIRURG-BBRMVZONSA-N 413.503 4.165 30 40 HIEB COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)c1 19536028 VZYFCBBWEMSOEI-QHCPKHFHSA-N 403.478 4.407 30 40 HIEB O=S1(=O)CCOC(/C(O)=N/c2nc3ccc(Cl)cc3s2)=C1c1ccccc1 31806935 JQNOFTIQOGGGHZ-UHFFFAOYSA-N 420.899 4.352 30 40 HIEB C=CCn1c([C@H]2COc3ccccc3O2)nn(CN(C2CCCC2)C2CC2)c1=S 32923193 UUFQCDSVFTVNTQ-HXUWFJFHSA-N 412.559 4.477 30 40 HIEB COc1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1 35673066 QWGLOLNXRQYVMW-NRFANRHFSA-N 403.486 4.256 30 40 HIEB CCOc1ccc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 100164409 LORPYMGUTOXFLD-LPYMAVHISA-N 414.303 4.396 30 40 HIEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC#N 106696149 WACUVIGVPBABJI-UNOMPAQXSA-N 412.442 4.363 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(CC)s2)C1=O 409055191 XCTSTWHPLFCVIE-VBKFSLOCSA-N 413.520 4.172 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409073884 JEQBMQLGMWLQAL-FMCGGJTJSA-N 408.380 4.205 30 40 HIEB N#Cc1c(/C=C\c2ccc(Cl)cc2)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O 409206661 ZOGFIQSJAMHPNQ-KMKOMSMNSA-N 412.232 4.280 30 40 HIEB Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 2794526 KABRRIKBOYCVIK-UHFFFAOYSA-N 421.482 4.212 30 40 HIEB COc1ccc(C(=O)/C=C/c2ccccc2Cl)c(OC(=O)N2CCOCC2)c1 5022843 DYHLQVWHIHHXLW-RMKNXTFCSA-N 401.846 4.076 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 6813680 OSJQPTAIBQRBOX-HNAYVOBHSA-N 415.848 4.236 30 40 HIEB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)cc1 8125751 DHVZFLBVFVGWBE-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB C=CCO[C@@H]1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]12 8297129 PUZKHRHFMCPNLU-MOPGFXCFSA-N 416.399 4.110 30 40 HIEB biogenic,in-vitro N#CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1F 9712538 GZGJNXBFKPQAQF-UHFFFAOYSA-N 421.501 4.323 30 40 HIEB COc1ccc(C(=O)C2=CN(c3ccc(OC)cc3)c3ccccc3S2(=O)=O)cc1 32984190 SBXRQPVGTWLVNB-UHFFFAOYSA-N 421.474 4.354 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 102501829 PSYISPPNXRBXBB-HOGKFDNTSA-N 423.509 4.277 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102880984 QZASJCFAWQUTBM-UDOZCRMJSA-N 411.885 4.249 30 40 HIEB C=CCN(Cc1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224479565 LUGCADPKEAAROC-UHFFFAOYSA-N 414.571 4.148 30 40 HIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 408855821 FRWZWPGWCQYLDO-MFOYZWKCSA-N 404.875 4.257 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O 409074683 UPVVQEQQYIZWBT-UNOMPAQXSA-N 413.930 4.377 30 40 HIEB Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 1009876 BPYADTFERZJERM-FQEVSTJZSA-N 405.523 4.345 30 40 HIEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C 4785407 JOYLDONICZKALT-BFTVFPACSA-N 419.576 4.141 30 40 HIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Br)ccc21 4813955 RTECWRJKUGXFQO-OAQYLSRUSA-N 414.299 4.059 30 40 HIEB N#CCSc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 4890231 DNQSJHIZVSWKRP-UHFFFAOYSA-N 419.506 4.458 30 40 HIEB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 5639022 AFOWQJKWXSDMGY-UYRXBGFRSA-N 402.479 4.243 30 40 HIEB COc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c([N+](=O)[O-])c1 6382050 QRZRSPGOVJXGAV-FOKLQQMPSA-N 401.382 4.041 30 40 HIEB CCNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 7249310 IHJFWIYMLASKQE-JTQLQIEISA-N 407.590 4.291 30 40 HIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 9483837 RPYJDWSRKHXTLZ-NVMNQCDNSA-N 417.255 4.396 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cc(OC)c1O 12345140 XZXGIGKXBWXAJW-WPUZRXDDSA-N 409.526 4.153 30 40 HIEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)NCc1ccccc1 14126903 AMZQENDDBHMKGG-UHFFFAOYSA-N 422.554 4.068 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)Nc3ccc(SC)cc3)c(C#N)cc2c1 19519958 GIFFSXTWMXVCTP-UHFFFAOYSA-N 421.526 4.461 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 20024361 KMMDACVSABYORU-FQEVSTJZSA-N 412.917 4.178 30 40 HIEB C[C@@H]1Nc2ccccc2C(=O)N1c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 44803154 KDLVVVMCEFJMRJ-OAHLLOKOSA-N 403.482 4.359 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)c1 94979095 OZVBBNVODJSDTI-HXUWFJFHSA-N 421.522 4.230 30 40 HIEB O=C1OC[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 196016224 AYBYNOCNPHROFT-REOHCLBHSA-N 406.094 4.261 30 40 HIEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223061807 QQINLNAZOPNHNJ-VWLOTQADSA-N 412.533 4.171 30 40 HIEB C=CCN(Cc1ccc(C(=O)N[C@H](C)CCC)cc1)S(=O)(=O)c1ccc(C)cc1 260566882 YWVCOKNQKLDDHN-LJQANCHMSA-N 414.571 4.290 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)SC1=S 408810459 JWSODGVHFMIMOF-UNOMPAQXSA-N 412.536 4.407 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC 816009 ROLUPHGWBLRRPN-QHCPKHFHSA-N 424.541 4.074 30 40 HIEB C=CCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2284114 HHPPHSIJABXGIZ-UHFFFAOYSA-N 411.465 4.041 30 40 HIEB CCOc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1OCC 5354013 HKAKHZNZLHLIRQ-CYVLTUHYSA-N 409.482 4.015 30 40 HIEB CC(=O)Nc1nc(C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)cs1 12233985 HXXMJXKKPFOSJF-UHFFFAOYSA-N 418.522 4.134 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2cccc(C)c21 32104630 YJEJVHXVKPWQHT-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647773 WWUPKIKRVDAXBU-NTEUORMPSA-N 404.245 4.249 30 40 HIEB CCCCCc1nnc(/N=C(\O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)s1 40140560 XJNUYJVHCYYUAP-UHFFFAOYSA-N 403.483 4.177 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102877605 CDQZVYOQDAXVJR-MRJHHRETSA-N 407.510 4.361 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\S/C(=N\c2cc(C)cc(C)c2)NC1=O 105510683 HBPZWVQHXCJMPE-IZILLXMLSA-N 404.495 4.077 30 40 HIEB COc1ccccc1NC(=O)COc1ccc(/C=N\OCc2ccccc2)cc1OC 409015109 AMQXRZOOKUEQBK-MYYYXRDXSA-N 420.465 4.272 30 40 HIEB C=CCNC(=O)c1c(N)n(-c2ccc(OCCCC)cc2)c2nc3ccccc3nc12 2291749 NTWCOQTXHXRLRN-UHFFFAOYSA-N 415.497 4.251 30 40 HIEB CC(C)COc1cccc(OCC(=O)/N=C2\N=C3C=CC=CN3Cc3ccccc32)c1 3188169 GNJWLARHWYOLGC-RFBIWTDZSA-N 415.493 4.371 30 40 HIEB CC(=O)c1nn(-c2cc(Cl)ccc2Cl)/c(=N/N=C/c2cccc(O)c2)s1 5726505 KNSSGESCHWKBBC-PGJJUSORSA-N 407.282 4.084 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C 6477232 DJFXNSQNMOCFEL-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB COc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc3ccccc32)cc1 7141494 DAXFEODWNMNWLK-QFIPXVFZSA-N 408.527 4.181 30 40 HIEB C=CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1-c1ccoc1C 9513129 PYUQABSSZMNFFO-UHFFFAOYSA-N 409.467 4.440 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 10326918 DRIILPALGGECPK-UHFFFAOYSA-N 417.896 4.489 30 40 HIEB CO[C@]1(/C(C)=N/O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12660442 FRVKEWVTLSYVMG-FJXGPOKGSA-N 419.562 4.087 30 40 HIEB biogenic COc1cccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2cccc(OC)c2)c1 18193920 TWTWULGECOBPLX-IPACTHBOSA-N 415.493 4.081 30 40 HIEB Cc1nnc(SCc2ccccc2)n1/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 59489967 LRKHRCBLKSFOMH-HYARGMPZSA-N 422.514 4.269 30 40 HIEB CC(=O)Nc1ccc(CC(=O)OC2CCC(Nc3ccc(C#N)cc3C)CC2)cc1 95444276 RJAKOAGPAFBWHD-UHFFFAOYSA-N 405.498 4.334 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)no1 102530126 CYPXKHXWWYJNDO-GHNGSUTGSA-N 412.804 4.402 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1ccc(Cl)cc1 409363483 WFIQBOYQVAFEMU-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB CC(C)OC1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 552953168 BWTLHDGYXUDKQS-UHFFFAOYSA-N 403.954 4.234 30 40 HIEB O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nc3ccccc3n1Cc1ccccc1)OCO2 4551797 DGWBLPXBEZYOSM-FSJBWODESA-N 415.409 4.168 30 40 HIEB CCCC/C(=N/N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2)S1)c1ccccc1 4996760 SBOPQPJJHVPDIU-ZZMKYJANSA-N 408.527 4.197 30 40 HIEB S=c1[nH]nc(-c2ccccc2)n1/N=C/c1cccc(I)c1 5528284 MHNCWOZBDMIFCU-LICLKQGHSA-N 406.252 4.094 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)n1ncnc1N2 9450984 AVYGLLBBZFRGMF-FQEVSTJZSA-N 421.388 4.140 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccnc3SC)c2)c1 13005360 YKPWSERNEDSNLE-UHFFFAOYSA-N 402.475 4.242 30 40 HIEB C/C(O)=C1/C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 101152669 NAABOMQSKBTHPE-IZNAZMGOSA-N 406.316 4.103 30 40 HIEB CN(C)c1ccc(/N=C(\C#N)C(=O)c2ccc(-n3nncc3-c3ccccc3)cc2)cc1 107189544 MMLMTSQDFCXIFQ-WEMUOSSPSA-N 420.476 4.479 30 40 HIEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408709740 HCFUBRYOKLGMRI-UHFFFAOYSA-N 423.557 4.340 30 40 HIEB O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1ccccc1 3961755 XGOAMKIHJBMTBL-KEBDBYFISA-N 403.667 4.094 30 40 HIEB COc1cccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N3)c1 4189679 RXBYKPMPKAEVHN-HXUWFJFHSA-N 401.470 4.007 30 40 HIEB COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)s2)c1 4501311 BFGLBGCHLPWMQQ-LBPRGKRZSA-N 411.512 4.281 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1C 4816190 IPKBOVXUOOHOQZ-UHFFFAOYSA-N 421.526 4.129 30 40 HIEB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N 5430304 VKQXAEATTQUAGH-UHFFFAOYSA-N 411.918 4.145 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 5799617 PSIPQUUSJXBIPC-JOCHJYFZSA-N 414.461 4.259 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(N(C)C)cc1 5868784 MDDAMTRHTRHBGS-GOSISDBHSA-N 424.570 4.293 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)S2)c(C)c1 6330780 GEBDRQBSGVVLOE-KGENOOAVSA-N 407.539 4.340 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N 6576944 LAPWMKGSGLMNJI-YZGWKJHDSA-N 411.600 4.176 30 40 HIEB aggregator COc1cc(/C=C/c2nc(C#N)c(N(C)Cc3ccccc3)o2)cc(OC)c1OC 8374916 DDRNHWHUSJOLCU-ZHACJKMWSA-N 405.454 4.379 30 40 HIEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 9243340 XSFLCXHKGRARPM-BFUOFWGJSA-N 418.474 4.249 30 40 HIEB COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 12408550 WYJVGZPFKSOWPD-WYRIXSBYSA-N 424.482 4.128 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)n(-c2ccccc2)c1C 14050118 VKWFNVIWXQWWHC-UHFFFAOYSA-N 412.449 4.243 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(F)c2)c1 17057396 DFFHRVRUDYFYDG-HXUWFJFHSA-N 404.397 4.012 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@@H]2c1ccc(F)cc1 20635526 POJFVARMBPPZOU-GOSISDBHSA-N 421.520 4.389 30 40 HIEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 36628589 PGRBXHAYJWWAHI-IZZDOVSWSA-N 418.884 4.332 30 40 HIEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCC)cc1 66091531 YGZWJRJWARSQSN-NRFANRHFSA-N 409.482 4.090 30 40 HIEB Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCCN21 102410248 WLMYTEBZMUDKGB-RDGATRHJSA-N 408.509 4.434 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 102511925 SIXYKWOKTQTPKK-MOBKVPTQSA-N 406.526 4.102 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 102875207 UGYNOQFPAOTSEE-SELCWUDQSA-N 420.292 4.452 30 40 HIEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226340525 DJHIEHMQOMUHGQ-UHFFFAOYSA-N 424.634 4.380 30 40 HIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1cccc(F)c1 408928658 CZQVAXXOZKDQCD-JUAGQRJUSA-N 400.475 4.335 30 40 HIEB Cc1cc(C)n(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(=O)c1C#N 409412255 CHIGXIIDYGSFRC-OAHLLOKOSA-N 422.554 4.060 30 40 HIEB CCCCNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc12 2247634 BBVGQLNOJMWRNX-LGJNPRDNSA-N 420.904 4.232 30 40 HIEB C=CCn1c(SC[C@H]2COc3ccccc3O2)nc2sc(C)c(C)c2c1=O 3444641 RAUSXDSUQNDTKS-CQSZACIVSA-N 400.525 4.193 30 40 HIEB CCOC(=O)c1ccc(/N=C2\S/C(=C/c3cccc(OC)c3)C(=O)N2CC)cc1 4649339 FDOYIEOWLLFFGR-XGHAMVSDSA-N 410.495 4.496 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C 5499350 XYUIYECQYBJYRP-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1ccc(Br)cc1 6237984 SMWBEMMQNCZCNT-SRZZPIQSSA-N 404.289 4.438 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1O 8686748 JMYORYBWIOHASB-WLRTZDKTSA-N 423.490 4.406 30 40 HIEB aggregator N#Cc1c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc2c1CCCC2 11915984 YPWMLXIZQGMFRY-UHFFFAOYSA-N 407.451 4.177 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 14060179 RSIKWTHTFPXAAE-UHFFFAOYSA-N 419.850 4.017 30 40 HIEB COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)c1 57172627 PZIQNRHHHMULLZ-SSDVNMTOSA-N 414.461 4.367 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)cc1 223760975 NPKQJAXBDQPKRN-FXBPSFAMSA-N 402.317 4.036 30 40 HIEB O=C(O)COc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409086195 GJNBCERSFBYMIZ-RREIPUBJSA-N 408.163 4.317 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccccc1 409131992 KIHSDZTYEHKGBJ-RCCKNPSSSA-N 418.493 4.472 30 40 HIEB COc1cccc(/C=N/c2ccc(C(=O)O)cc2)c1OCc1ccc(C(=O)O)cc1 409187469 QVVVDNNENRDUPG-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB N#Cc1ccc(N2CC[C@@H](Sc3nc4ccc(C(F)(F)F)cc4[nH]3)C2=O)cc1 603937995 FDMYGOQVMGXKLZ-MRXNPFEDSA-N 402.401 4.351 30 40 HIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 9252778 URECJXNMHTYUAH-HXUWFJFHSA-N 424.460 4.331 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)cc1 9482393 MHISWLKXPYXTMH-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB Cc1ccc(N/N=C(/Sc2nnnn2-c2ccccc2)C(=O)c2ccccc2)cc1 13142384 PJDKOAHSAXFFTC-DARPEHSRSA-N 414.494 4.371 30 40 HIEB Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(C(F)(F)F)c3)c3n2CCC3)cc1 13768268 KJMVQOGBMXEBPW-UHFFFAOYSA-O 400.424 4.355 30 40 HIEB N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccc(O)cc1 20814550 AMYZFPXMWYWBQQ-UHFFFAOYSA-N 420.881 4.408 30 40 HIEB C/C(=N\c1ccc(C(=O)O)c(O)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370355 LYYOMRJBFVWKEQ-AFUMVMLFSA-N 414.417 4.241 30 40 HIEB COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1 409159841 ALKLQOLSENFYAX-FQRCYEQOSA-N 410.857 4.140 30 40 HIEB Cc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1I 505135902 LJWCQJULYAWPDX-UHFFFAOYSA-N 420.225 4.281 30 40 HIEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccc(Cl)cc1 4199632 HIJNJUMUJMOUEO-OAQYLSRUSA-N 424.888 4.397 30 40 HIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)O)cc1 4702276 VUWOEYCBCLCOAK-QHCPKHFHSA-N 406.482 4.396 30 40 HIEB C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3OC)NC2=O)cc1OC 6195984 IVGHKAYBKNTQIW-MOSHPQCFSA-N 410.495 4.469 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@H](C)Oc1cccc(C)c1 7780941 VIDMOVUEYNAKRV-KRWDZBQOSA-N 407.470 4.036 30 40 HIEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 10253591 RBELINFRYVDEAV-CYBMUJFWSA-N 402.541 4.179 30 40 HIEB COc1cccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)c1OC 13769419 BRGIBQFJOMOARE-GDNBJRDFSA-N 419.300 4.358 30 40 HIEB Cc1nn(-c2ccccc2)c(O)c1/C(=N/Nc1ccccc1C(=O)O)c1ccccc1 18191903 YOFWUODBCOCRPQ-XTCLZLMSSA-N 412.449 4.449 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1 20171236 VLZYMLCAJQXZOV-NRFANRHFSA-N 410.514 4.207 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(OC)cc1 21991885 BKBMECBVEAEFBS-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCCCCC)c(OC)c1 28290291 UDBGEFNIGPQMEX-HXUWFJFHSA-N 418.559 4.176 30 40 HIEB CCCCN(C)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 32682601 CDWCKMUPQUPQGS-HXUWFJFHSA-N 408.527 4.213 30 40 HIEB O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N\c2ccc(OC(F)(F)F)cc2)S1 100090315 WNDPOWHXYVZJNT-CVIUTVQRSA-N 424.400 4.192 30 40 HIEB CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/Cc1ccc(OC)cc1 100163123 QXUHIYCUWQWESL-OEAKJJBVSA-N 406.511 4.356 30 40 HIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(C)c([N+](=O)[O-])c1 100510715 ORCUAQQCJFNNGJ-PTGBLXJZSA-N 420.454 4.217 30 40 HIEB COc1ccc(/C=N\[C@H](NC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 104126003 NYSMPTJQTBPEOE-TXUMJUCDSA-N 404.466 4.260 30 40 HIEB CCCCCCCCCCCCCCCC(=O)OC1=C(O)C(=O)O[C@H]1[C@H](O)CO 136378182 DLPACQFCRQUOOZ-XLIONFOSSA-N 414.539 4.059 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 226335736 PNCUFCSUSLKWDP-BQYQJAHWSA-N 419.246 4.365 30 40 HIEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1 408587895 AMIXYLAJWHGHLU-SSDVNMTOSA-N 424.369 4.250 30 40 HIEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC(F)(F)F 409040054 XNWBPRGRMPZDDD-ZRJGMHBZSA-N 416.215 4.350 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1 409273950 AOTPZIOBDOHOME-UHFFFAOYSA-N 402.267 4.478 30 40 HIEB CCCCN(CCCC)C1=C(C(=O)c2ccccc2)NS(=O)(=O)c2ccccc21 2066484 BNTBLSLGKNQFQI-UHFFFAOYSA-N 412.555 4.432 30 40 HIEB Cc1cc(C)n(CCC(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)n1 12222997 LYVJOFKSJUBFQM-UHFFFAOYSA-N 400.526 4.309 30 40 HIEB Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 14124460 COBZSVVCIYMMLI-UHFFFAOYSA-N 420.490 4.033 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)n1ncnc1N2 18200415 PMAHBORQZVEAIB-SGTLLEGYSA-N 400.360 4.306 30 40 HIEB C=CCN1CCN(C(=O)C(CC)CC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19500202 FCRHQIPTMHAFFK-XMMPIXPASA-N 419.569 4.200 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1F 19973798 XZUXQUPSJAGULN-HXUWFJFHSA-N 414.477 4.037 30 40 HIEB C=CCN(C(=O)c1nc2nccc(C)n2n1)c1nc(-c2ccc(Cl)cc2)cs1 32994609 GMXAPWWLAKKXSR-UHFFFAOYSA-N 410.890 4.042 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C=O)c3ccccc32)cc1C 408726281 AWPSHCPHPHHWFV-ULIBHWOYSA-N 421.496 4.227 30 40 HIEB CC[C@H](C)Oc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409348021 PUKMKVFRCIFBPT-NSHDSACASA-N 406.269 4.468 30 40 HIEB COc1ccc(CCNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1OC 794749 MATZPXQXDZLBIB-UHFFFAOYSA-N 413.861 4.450 30 40 HIEB CCOC(=O)NC(Nc1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F 2355838 BJXZUFUSQZBOQK-UHFFFAOYSA-N 403.348 4.470 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2sc(C)c(C)c2c1=O 2375204 VEIUHBKHBHZNFT-UHFFFAOYSA-N 421.494 4.270 30 40 HIEB COc1ccc(CCNc2nc(SC)nc(-c3ccccc3)c2C#N)cc1OC 5607382 AHMKWQCBMZFOJP-UHFFFAOYSA-N 406.511 4.409 30 40 HIEB C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccnc1 7781208 QVDHSUKWCDLPLZ-INIZCTEOSA-N 416.506 4.175 30 40 HIEB CCOc1ccc(-c2n[nH]c(=S)n2N/N=C/c2cccc(Br)c2)cc1 9332970 CUSFNOJKMHXJHP-YBFXNURJSA-N 418.320 4.346 30 40 HIEB C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl 9426405 BVDBVAWZZWZEFJ-UHFFFAOYSA-N 424.309 4.420 30 40 HIEB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 9511391 LDILWHFYFJPCJB-KRWDZBQOSA-N 423.476 4.038 30 40 HIEB C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12983375 OROPTHPNCRPOAW-HNNXBMFYSA-N 423.538 4.421 30 40 HIEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 15946101 ZJODQMSKFATHEJ-GTCGAKFVSA-N 421.880 4.383 30 40 HIEB COC(=O)C[C@@H]1S/C(=N/c2ccc(C)cc2)N(CCc2c[nH]c3ccccc23)C1=O 101379665 YJEGOFJIBQUYCI-XUKXGFMLSA-N 421.522 4.214 30 40 HIEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 113480563 ICSBYCVMDYQUSO-OAHLLOKOSA-N 419.293 4.308 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220365617 FZMBLNQMXQTBJK-HNNXBMFYSA-N 422.934 4.006 30 40 HIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224960713 SUBJCIMATHYSAL-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(O)c(Cl)c1 408794574 SPJVOBYRPHZXKV-INIZCTEOSA-N 416.260 4.440 30 40 HIEB S=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)NC1CCCCC1 3183740 UZSBQDMVGSHROA-DCUGWFEXSA-N 424.614 4.233 30 40 HIEB N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 3257793 UWIUYUAEUWQTQA-UHFFFAOYSA-N 405.841 4.481 30 40 HIEB CCOC(=O)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)c(C)c1 4387269 TXTWOVDWTXOAFK-FXBPSFAMSA-N 414.418 4.279 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 4444792 YXMZAKQMUVDZDV-UHFFFAOYSA-N 417.465 4.371 30 40 HIEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OCC(=O)O)cc3)o2)cc1 12689182 PRTZUMRLYDQPEQ-ACCUITESSA-N 420.417 4.483 30 40 HIEB CCCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CCCC)cc1 16740976 LWSCKVFGPLDOBU-YTCPRFGJSA-N 422.616 4.211 30 40 HIEB C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 36493785 HCKWLIFVKPDIEV-TVPUMLRDSA-N 402.494 4.332 30 40 HIEB biogenic CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 1301522 HQVCKHDUVHSNFC-GIVPXCGWSA-N 423.611 4.320 30 40 HIEB aggregator O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 4556233 AXWSLGASPULHCK-AKNQKSQZSA-N 401.437 4.233 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4)nc3c2[C@H]1c1ccco1 5350430 BUDLDPLRBDYGCH-KRWDZBQOSA-N 406.829 4.425 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9272099 MIHOZRQIFJGDMO-HXUWFJFHSA-N 418.405 4.275 30 40 HIEB C[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 9272241 MVEYBBWMMSBPHV-TXFGNXOESA-N 420.307 4.442 30 40 HIEB O=C(/C(=N\Nc1ccccc1)Sc1nnnn1-c1ccccc1)c1ccccc1 13142407 SVJGPVYWSQHLHX-BSYVCWPDSA-N 400.467 4.063 30 40 HIEB COc1ccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C2CC2)cc1 96400509 SURRFOVRNHQOHS-FYTMPNSFSA-N 423.538 4.435 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(O)cc2)sc1C 102882641 JKLBLRYMZKAIPK-UYTDBDHRSA-N 412.492 4.153 30 40 HIEB COc1ccc(CN2C(=N)[C@@H](C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 104494715 UETHKOOPLSSYMI-CJFMBICVSA-N 412.493 4.346 30 40 HIEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCCC1 408560736 OGNKGYVLGSWBPI-UHFFFAOYSA-N 406.555 4.313 30 40 HIEB C/C(=N\Nc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)c1ccc(F)cc1 408727541 QIJVBUXTHAXLMD-LQKURTRISA-N 405.481 4.003 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 2055473 CTTMBVVVLCHXRD-QFIPXVFZSA-N 413.514 4.492 30 40 HIEB C=CCSc1nnc2n(CC=C)c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 2245497 BIKWFICKNPGCMV-UHFFFAOYSA-N 404.539 4.390 30 40 HIEB CC(=O)c1ccc(NC(=O)/C=C/c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 2628669 DUENPYUFCDOXMZ-KPKJPENVSA-N 402.429 4.457 30 40 HIEB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O 3672431 IWIZUAXKWJLWAN-ZDUSSCGKSA-N 413.930 4.452 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)C1(c2ccccc2F)CCCC1 7562560 AHEOSYDUVPHSDP-UHFFFAOYSA-N 416.474 4.073 30 40 HIEB O=C1/C(=N\Nc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 8398130 HMOVOCXFZZOEAN-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB N#Cc1ccccc1COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 13145324 WHLNDVOFBIBRBT-UHFFFAOYSA-N 416.820 4.369 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1 16427889 QMXBGGXVGBNEPK-FRKPEAEDSA-N 415.041 4.271 30 40 HIEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(OC)cc1 16737273 ZXSJOCQIPBHMPK-NRFANRHFSA-N 407.466 4.248 30 40 HIEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1 95430497 HJBQYBWIDHAPJZ-IBGZPJMESA-N 411.513 4.237 30 40 HIEB C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccco1 100874371 VPSUPNVJUMMGOX-ZEOVRSRCSA-N 418.316 4.105 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@@H]2c2ccccc2)cc1 102857613 RMXMBBMZVGGVEK-JBCNATCCSA-N 413.429 4.320 30 40 HIEB C=CCOc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 408619864 OAVZKYKRSFLBLH-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB COc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408721655 WMEOXQBBZUDADU-DHDCSXOGSA-N 405.273 4.055 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc2c(cc1Cl)OCO2 408845381 WHMBKQWABRZNSF-LJQANCHMSA-N 423.852 4.200 30 40 HIEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCC(=O)O 409210068 KSDMRCJKTFWTCU-KEBDBYFISA-N 408.248 4.070 30 40 HIEB CCOc1cc2c(cc1C=Nn1c(C3CCCCC3)nc3ccccc3c1=O)OCO2 409282482 OTYGFXGQHDILCE-UHFFFAOYSA-N 419.481 4.454 30 40 HIEB CC1(C)CC(=O)c2cc(C#N)c(SCC(=O)c3cc4ccccc4oc3=O)nc2C1 873852 YXVLAYUUYLQARP-UHFFFAOYSA-N 418.474 4.190 30 40 HIEB CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1O 4189446 CFFSWIJKYJMZAO-ZTHZXAOBSA-N 422.481 4.022 30 40 HIEB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1cccc(C#N)c1 4495002 VMSHQLPSVBRKEQ-CYBMUJFWSA-N 404.447 4.363 30 40 HIEB C=CCN(C(=O)CSc1nnc(C2CC2)n1C)c1nc(-c2ccccc2)cs1 4946892 WKSPDIGWWZPSDG-UHFFFAOYSA-N 411.556 4.127 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c(C#N)cc2c1 4994008 DYFOKTHVEXUFCV-UHFFFAOYSA-N 408.439 4.144 30 40 HIEB C=CCn1c2ccccc2c2nnc(SCC(=O)N3CCCc4ccccc43)nc21 6295894 NTBBGTOOBAZXLI-UHFFFAOYSA-N 415.522 4.237 30 40 HIEB COc1ccc(-c2cnc(N3N=C(C)/C(=N/Nc4ccc(C)cc4)C3=O)s2)cc1 6501834 SMLVXNAAPBBZJW-CLCOLTQESA-N 405.483 4.318 30 40 HIEB COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(OC)c2OC)ccc1O 6621702 BKPIDRBGBSZOGA-ZVHZXABRSA-N 403.438 4.483 30 40 HIEB CCN(CC)c1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 6869641 IYVHTUDBJFKLDO-NMSSZPRHSA-N 409.511 4.465 30 40 HIEB CCCn1c(SCC(=O)N(CCC#N)CCC#N)nc2ccc(C(F)(F)F)cc21 12519912 DWQPPSBZLCGAMB-UHFFFAOYSA-N 423.464 4.213 30 40 HIEB COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC 13733817 JCLHQOPRZACEJD-JJFYIABZSA-N 419.433 4.265 30 40 HIEB COCC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(F)cc1 16035657 NRYUZLFMUWQZDJ-DKECESECSA-N 421.444 4.386 30 40 HIEB COc1ccc(N/N=C2/C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 18193935 PZVXIXCLPCAJMR-WNAAXNPUSA-N 414.465 4.231 30 40 HIEB CCOc1ccc(N/C(S)=N/[C@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 22928348 DOMCOOGTMDHXLE-GCJKJVERSA-N 412.603 4.160 30 40 HIEB COc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 32984202 FXGVQRYTYCMCFY-UHFFFAOYSA-N 409.438 4.484 30 40 HIEB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 66091507 MZEXGTCYJKNLPW-HXUWFJFHSA-N 412.486 4.398 30 40 HIEB N#Cc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)c(C(F)(F)F)c1 95399222 CMRZQXLLUXXWND-UHFFFAOYSA-N 407.823 4.122 30 40 HIEB C[C@H](CCc1ccco1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 105380134 RFDZLHQISAXUIQ-OLRDJSGMSA-N 401.547 4.060 30 40 HIEB biogenic C=CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224717345 SIBJRNQFYWXXOT-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408572458 RFJGVXBENIJTNR-HXUWFJFHSA-N 408.483 4.006 30 40 HIEB CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(CC)cc1 408710165 QTBJNQFLTBRIGQ-UHFFFAOYSA-N 423.557 4.204 30 40 HIEB O=C(O)COc1ccc(/C=N\c2cccc(I)c2)cc1Cl 408812134 CCXTUUHXEXHJMP-LSCVHKIXSA-N 415.614 4.159 30 40 HIEB COc1cc(/C=N/c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C(=O)O)cc1 408965597 JDIOMLSFNCROBM-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O 409129693 WAGOAIXVZMOFNC-SFQUDFHCSA-N 413.271 4.107 30 40 HIEB COC(=O)CSc1nc(-c2ccc(Br)cc2)c2c(c1C#N)CCC2 1384132 SUDIJOOJLWSRAU-UHFFFAOYSA-N 403.301 4.137 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCc3c(F)cccc3Cl)nnc12 3294814 PWBUWWASWPEWFU-UHFFFAOYSA-N 400.866 4.315 30 40 HIEB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1=C(CC(C)(C)CC1=O)N2 4436371 NBGJIPGSABEXGL-QGZVFWFLSA-N 414.531 4.065 30 40 HIEB C=CCNC(=S)N/N=C/c1cc(Br)ccc1OCc1ccccc1 4512177 VWEAQDVZQIVJCT-CIAFOILYSA-N 404.333 4.012 30 40 HIEB COc1ccc(C(=O)O/N=C/c2ccc([S@](=O)c3ccc(Cl)cc3)nc2)cc1 5359425 QXXPQPYSXABNSV-RJIVUXNUSA-N 414.870 4.101 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O 5373779 XZNSRDWLIRRZIW-YVLHZVERSA-N 413.476 4.061 30 40 HIEB C=CCc1ccccc1OCCOc1ccc(/C=C2/SC(=N)NC2=O)cc1OC 6624743 IIMFTSYYXUJJAL-XSFVSMFZSA-N 410.495 4.020 30 40 HIEB N#Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(F)c1 17089866 KRKUAVVNTWSRIB-UHFFFAOYSA-N 414.484 4.272 30 40 HIEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 20737867 QSHLEVDBZLCPOY-DEOSSOPVSA-N 419.525 4.066 30 40 HIEB COc1cc(OC)cc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984111 UZOWSCDSGWRAIY-UHFFFAOYSA-N 421.474 4.354 30 40 HIEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1Cc1cccc2ccccc12 225872247 DNXYATHHNTXKNO-UHFFFAOYSA-N 421.548 4.466 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(C)c2)cc1 409123421 GFMQHUBKJBNDRF-OAQYLSRUSA-N 419.477 4.038 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O 409389490 BKPBYQHVKQHZTQ-UCQKPKSFSA-N 410.498 4.239 30 40 HIEB O=C(CC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 627281321 UMULEPFXAFOUAS-BYPYZUCNSA-N 424.084 4.112 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 4182743 RKXPVICVAJINNA-SDHOMARFSA-N 407.510 4.402 30 40 HIEB CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 4955104 CEJYWJSEJHZTLS-SOXUWCDVSA-N 411.527 4.256 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c(OC)c1 6294819 DFRPEMVSVMQLLM-NRFANRHFSA-N 419.433 4.075 30 40 HIEB C=CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 7037479 KNLFUKYBFLAMBU-UHFFFAOYSA-N 416.499 4.186 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)c2ccc3ccccc3c2)n(C[C@@H]2CCCO2)c1C 8533291 ZWTRMCKZQBMYHR-QFIPXVFZSA-N 416.525 4.384 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(F)c2F)cc1 12321592 WYTHGOMKZLPFOR-FKIZINRSSA-N 424.407 4.336 30 40 HIEB CCOC(=O)c1c(C#N)c(SCc2ccc(Cl)cc2)nc2c1CN(CC)CC2 20813725 POGPRMCMUBHLMU-UHFFFAOYSA-N 415.946 4.454 30 40 HIEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 30181750 CNUFPHZYRNBVLD-UHFFFAOYSA-N 405.498 4.384 30 40 HIEB O[C@H]1OCCC[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 68568590 YEMOXYUOUXISBX-UHNVWZDZSA-N 420.165 4.470 30 40 HIEB biogenic COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC1CCCC1 101567293 DFRBBQXYXNIOAR-GOSISDBHSA-N 418.445 4.380 30 40 HIEB Cc1ccc(N2C(=O)/C(=N\Nc3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1 104136179 NBUPSSAILPDANX-QQTULTPQSA-N 414.490 4.128 30 40 HIEB C=CCN(Cc1ccc(C(=O)NCCCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224482259 NTLZJSJWFUBPDG-UHFFFAOYSA-N 420.962 4.247 30 40 HIEB C=CCN(c1ccc(C(=O)NCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 224509029 BEYVMZJGWWHIPS-UHFFFAOYSA-N 424.497 4.137 30 40 HIEB N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(OCc4ccccc4)nc3)C2)c(F)c1 1516719406 RVKSKNZNMGAGMQ-IBGZPJMESA-N 416.456 4.136 30 40 HIEB C#C[C@H](NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1584733083 KLGIENZUBUMYPQ-LEWJYISDSA-N 412.892 4.340 30 40 HIEB COc1cc(/C=C/C(=O)c2cccc(-n3c(C)nc4ccccc4c3=O)c2)ccc1O 1857632447 NKGFWGHWBOTYNX-ZRDIBKRKSA-N 412.445 4.304 30 40 HIEB O=C1/C(=C/c2cccc(Br)c2)Oc2c1ccc(O)c2CN1CCCC1 2330234 MTJLYWYCXDFMIH-WQRHYEAKSA-N 400.272 4.367 30 40 HIEB COc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3SCC#N)c(C)c2c1 4319183 YEGIQKAQJLQEPE-UHFFFAOYSA-N 410.451 4.161 30 40 HIEB O=C(/C=C/c1ccc(Br)cc1)c1cc(Br)ccc(=O)c1O 4667472 QFPKXPFHEOFKSV-XVNBXDOJSA-N 410.061 4.174 30 40 HIEB O=C(NO)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 11615754 YZESUMPDCLUHPW-UHFFFAOYSA-N 408.435 4.020 30 40 HIEB COc1ccc2c(c1)c(C(=O)O[C@H](C)C(=O)Nc1sccc1C#N)c(C)n2C1CC1 25634845 WKHYCIBXLPKAHE-CYBMUJFWSA-N 423.494 4.410 30 40 HIEB CCN/C(=N\c1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 96471169 JSGSBCOYRBKSDG-KRWDZBQOSA-N 401.919 4.311 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)no1 102698599 SURBEXHTPUBRBY-GHNGSUTGSA-N 412.804 4.402 30 40 HIEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc(OCC)cc1 224607019 NKCGHZIESBZOIW-UHFFFAOYSA-N 423.918 4.297 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(OC)c(OCC)cc2Br)SC1=S 409338309 HOITYAAEJKDSPS-RIYZIHGNSA-N 414.346 4.244 30 40 HIEB COc1cc(Cl)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1O 409406794 YYHYVJJZXWCLEQ-UHFFFAOYSA-N 405.841 4.313 30 40 HIEB CCc1ccc(NC(=O)C[C@H]2CC3=C(C[C@@H](c4ccsc4)CC3=O)NC2=O)cc1 1548338240 PDYLGFLEPONLPP-IAGOWNOFSA-N 408.523 4.176 30 40 HIEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1ccc(OC(F)(F)F)cc1 5428990 GPSZLSHQKPPQCB-ATVHPVEESA-N 405.372 4.116 30 40 HIEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2cccc(C(=O)O)c2)cc1 5781518 CQRUSXVIVMXCTG-ZVHZXABRSA-N 404.422 4.196 30 40 HIEB Cc1ccc(Sc2ccc(/C=N/N3C(=O)CSC3=S)cc2[N+](=O)[O-])cc1 6233979 IWEUSQQFHOAGAO-GIJQJNRQSA-N 403.510 4.249 30 40 HIEB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 6912468 GOWWTQJSIQNYAP-CQSZACIVSA-N 401.561 4.413 30 40 HIEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc([N+](=O)[O-])cc1 9283862 NPHDQMRKDJXJEY-UHFFFAOYSA-N 419.466 4.496 30 40 HIEB C/C(=N\OCC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1ccc2c(c1)OCO2 12814527 PUCJQTHRVHGKHW-OVVQPSECSA-N 412.445 4.194 30 40 HIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc2c(cc1Br)OCO2 15016119 XUUWMKJWTIEAMB-UUASQNMZSA-N 421.247 4.209 30 40 HIEB C=CCc1ccc(OCCCn2c(CN3CCOCC3)nc3ccccc32)c(OC)c1 21785152 UYYDHMNCMNNNPW-UHFFFAOYSA-N 421.541 4.075 30 40 HIEB COc1ccc(NC(=O)c2ccc(CO/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 23080209 WLVGADFJXYFKOU-OEAKJJBVSA-N 405.410 4.406 30 40 HIEB C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 102771420 ZHYAMNDNASALDO-SDNDWZSWSA-N 418.474 4.093 30 40 HIEB C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 102771423 ZHYAMNDNASALDO-LBHAWFSUSA-N 418.474 4.093 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 102927875 MXALZZOWKTUPDV-NHFXJNLRSA-N 407.397 4.049 30 40 HIEB CN(C)c1ccc(/N=C\c2cc(Br)c(I)o2)cc1 408951678 JPFWICCHDAQKBQ-PXNMLYILSA-N 419.060 4.463 30 40 HIEB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C#N)c3)c2)cc1 2657635 RXTQASKWEJXAAB-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)O)cc1 4702277 VUWOEYCBCLCOAK-HSZRJFAPSA-N 406.482 4.396 30 40 HIEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccc(CC)cc1 4717948 QBGJAWNDGWEBRB-PNLZDCPESA-N 423.534 4.104 30 40 HIEB Cc1ccc2[nH]c(SCC(=O)Nc3c(C#N)c(C)c(C)n3C[C@@H]3CCCO3)nc2c1 8185475 SOHIDDSKQXVCQG-INIZCTEOSA-N 423.542 4.071 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917246 QGRITAWZXTZONB-OAQYLSRUSA-N 405.450 4.322 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 10218925 CETDESCQBBPOIU-CYBMUJFWSA-N 420.531 4.076 30 40 HIEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(C#N)cc1 12925665 PBPYRKZUVDFNKH-UHFFFAOYSA-N 410.495 4.061 30 40 HIEB CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CSC(C)(C)C2 13757300 BFKOJWWDHRFKEM-UHFFFAOYSA-N 420.582 4.046 30 40 HIEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccccc3Cl)c2c1 15920403 KXIASTKSLLFDNO-NRFANRHFSA-N 424.884 4.357 30 40 HIEB CC/N=C1/S/C(=C/c2cc(OCC)c(OC)cc2Br)C(=O)N1CC 408932418 WXCHXCCZKAVQEQ-NGCQHBKASA-N 413.337 4.169 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Br 409238604 FBDCEOWOXHSATM-RVDMUPIBSA-N 412.305 4.087 30 40 HIEB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2C1=O 3392808 CQEOTRXUGRPLIB-UHFFFAOYSA-N 421.522 4.393 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 5612331 SVAFRVTYBHUWQC-UFFVCSGVSA-N 409.298 4.004 30 40 HIEB CCc1cc(N2CCC(C(=O)N3CCCCC3)CC2)n2c(nc3ccccc32)c1C#N 15114886 HGLPQHYOLWNFIP-UHFFFAOYSA-N 415.541 4.150 30 40 HIEB C=CCn1c(SCC[S@@](=O)c2ccccc2)nc2ccc(Cl)cc2c1=O 32934984 AELURVRWKRFIER-SANMLTNESA-N 404.944 4.136 30 40 HIEB CCC/C(Nc1ccc(Br)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100162980 UKDJPIJTVLYLOU-ZQHZRZASSA-N 422.319 4.273 30 40 HIEB C=CCOc1c(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cccc1OC 408526695 BUKJYBJXIKTJIV-UYRXBGFRSA-N 409.463 4.179 30 40 HIEB CCCCCCCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 408538098 JAGBKORGQUJHMY-UHFFFAOYSA-N 422.909 4.227 30 40 HIEB CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C#N)cc2c1 1354901 AXZHXJBYQOMWQF-UHFFFAOYSA-N 406.463 4.251 30 40 HIEB CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccs1 2627599 ZHKKFMNZWYWECT-UHFFFAOYSA-N 411.556 4.374 30 40 HIEB N#Cc1ccsc1NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 3451402 NMJIMOQHGJVGPV-UHFFFAOYSA-N 415.323 4.342 30 40 HIEB CCc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C#N)cc2c1 4848933 DFDCWZRVIZRUEE-UHFFFAOYSA-N 405.479 4.171 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(OC)c1 6005289 JZWNWHVZDIOGEO-YVEFUNNKSA-N 411.527 4.234 30 40 HIEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 9243342 XSFLCXHKGRARPM-YJYMSZOUSA-N 418.474 4.249 30 40 HIEB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC1(C#N)CCCCC1 11398570 QBDRSKQQGWFPGF-INIZCTEOSA-N 417.465 4.383 30 40 HIEB COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccncc2)C4=O)cc1 20649708 PVELTSOWQULEMV-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB Cc1ccc(-c2cc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c3ccccc3n2)o1 32905256 YPXPABRRGVZHJW-UHFFFAOYSA-N 423.476 4.032 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(C(=O)c2cccs2)CC1 46538573 LOLLZBLUCRYIJK-UHFFFAOYSA-N 415.518 4.034 30 40 HIEB O=C(n1nc(C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)F)C(F)(F)F 95671188 RMTSDGXFBFZJGY-UHFFFAOYSA-N 400.094 4.394 30 40 HIEB N#Cc1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)sc2c(O)cc(=O)[nH]c12 100484268 WIQFOOBKSLFIPC-UHFFFAOYSA-N 400.525 4.044 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)c(C)c1 408845505 HKHQXBXPGMKGLP-MFOYZWKCSA-N 416.886 4.312 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)/C=C(\C)CC[C@H]1C=C(C)C(=O)O1 1772591066 DLNKPVUPXOYXQF-UEPAFDSTSA-N 416.558 4.348 30 40 HIEB CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1C#N 1446344 QSIASWUQUQOIQE-GOSISDBHSA-N 416.510 4.380 30 40 HIEB Cc1ccc(/N=C2/S/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)N2C)cc1 4678871 XUTIZOBKQKCHQG-LVVZJAEZSA-N 416.886 4.346 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1OC 4736520 QQLUPXZCHKEIGR-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348824 VRBMEMDSGWATPL-HXUWFJFHSA-N 415.493 4.375 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)nc1 25282731 PCDAXFVWIFBFAX-DEOSSOPVSA-N 410.521 4.270 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(c2nc3ccccc3o2)CC1 32905236 NYMYBWZXCORYIT-UHFFFAOYSA-N 422.488 4.478 30 40 HIEB CCn1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C#N)c3c(C)noc3n2)n1 36618025 FKBXGQGAAVFUAH-UHFFFAOYSA-N 406.833 4.192 30 40 HIEB Cc1ccc(-c2cnc(CC/C(O)=N/S(=O)(=O)c3ccc(F)cc3)o2)cc1C 40129694 ISYAPANWCSBUQE-UHFFFAOYSA-N 402.447 4.376 30 40 HIEB CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccccc1OC 96837276 YHKOJOJDJRRQNH-QAYQYMSWSA-N 415.490 4.205 30 40 HIEB N#Cc1ccccc1COc1c(Cl)cc(C(=S)N2CCOCC2)cc1Cl 107583191 XSVBRGJJSNKTLX-UHFFFAOYSA-N 407.322 4.452 30 40 HIEB CO[C@@]1(/C(C)=N/O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918648 FRVKEWVTLSYVMG-YHLAFWPCSA-N 419.562 4.087 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218385684 LTEYZBROVCCMIC-AOIWGVFYSA-N 424.305 4.006 30 40 HIEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccc(N2CCOCC2)c(F)c1 409134640 SPMRXWKVGQJPSS-KSEXSDGBSA-N 412.343 4.035 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409136509 WZDPHMDFXMJQDB-AWNIVKPZSA-N 408.197 4.240 30 40 HIEB CC[C@@H](C)Oc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409348019 PUKMKVFRCIFBPT-LLVKDONJSA-N 406.269 4.468 30 40 HIEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1O[C@@H](C)CC 409355825 LRXOMJXRUNAFDB-ZDUSSCGKSA-N 415.877 4.214 30 40 HIEB CCC(Nc1ccc(I)cc1)=C1C(=O)c2ccccc2C1=O 2562060 DWDYGSJMGMYGMP-UHFFFAOYSA-N 403.219 4.446 30 40 HIEB N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)cc1Cl 3405901 BFIJYJKFPPVXIL-UHFFFAOYSA-N 418.884 4.192 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC 4119621 YOVHEWKELBMXQL-NZQKXSOJSA-N 410.466 4.032 30 40 HIEB COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C 4681113 UREUWHZXGYJBAP-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1C#N 5128087 DYCDREVWJAOUKT-FOKLQQMPSA-N 405.414 4.331 30 40 HIEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2c(F)cccc2F)cc1OC 7734669 LLOVPXZYTBTTLW-QGZVFWFLSA-N 417.452 4.360 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nc2cc(Cl)ccc2c1=O 8719238 KQPPYCKSTASVFR-LBPRGKRZSA-N 417.893 4.494 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(OCC)cc3)ccc21 8958752 AUIAVFRPCQJCIG-UHFFFAOYSA-N 408.498 4.204 30 40 HIEB C=CCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 12379081 QFDHDAJACPDBHG-XLNRJJMWSA-N 419.550 4.040 30 40 HIEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccco2)s1 13692225 WRTQIDNBTWSNDQ-ZDUSSCGKSA-N 401.469 4.099 30 40 HIEB Cc1ccc2nc(COc3ccccc3C(=O)[C@H](C#N)c3nc(C)cs3)cn2c1 48787883 MZJXKADOBASEDK-SFHVURJKSA-N 402.479 4.477 30 40 HIEB CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 108733759 NYUQGJYYADXPKQ-QRVIBDJDSA-N 408.439 4.463 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Br)s1 408796793 PXDLLNSZFBDEQU-OAHLLOKOSA-N 416.296 4.252 30 40 HIEB CCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1OC 409213215 STRZWRYGHJLQAP-YBFXNURJSA-N 411.239 4.458 30 40 HIEB O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1CCCCC1 672186 ZOQWQEXFRVBSMB-DEDYPNTBSA-N 423.332 4.080 30 40 HIEB C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 2296432 ATPKTFARTZRQAD-ZDUSSCGKSA-N 408.552 4.498 30 40 HIEB N#Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 6079122 IPPDWPIZWTXQSS-UHFFFAOYSA-N 417.918 4.029 30 40 HIEB C[C@@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 8990565 XVAFXYFJCVMTQN-RZXISHGBSA-N 420.490 4.226 30 40 HIEB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 69846873 LDYBGOZVVBOSIN-QFIPXVFZSA-N 400.542 4.272 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)o1 100228631 XNMTUWSDEQIYCH-CIMRCSKZSA-N 406.869 4.295 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102534710 UQLLZIZUNJSCIN-VCJOYTQFSA-N 415.848 4.080 30 40 HIEB CCN(CC)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 408850879 FHKHAEZKVJQUAV-KGENOOAVSA-N 406.324 4.476 30 40 HIEB COc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)ccc1OCc1cccc(C(=O)O)c1 408860287 ZXCUYWGNIWJQTR-FSJBWODESA-N 422.393 4.337 30 40 HIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)C1=O 408919400 XKWTVFFYCBZUCD-FYJGNVAPSA-N 418.474 4.205 30 40 HIEB C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 409043673 SYNGNZSYVPSTBU-NTEUORMPSA-N 417.248 4.225 30 40 HIEB C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4)c1cccs1 1296363 JSEDLXQFTAUFTR-KSEXSDGBSA-N 413.528 4.193 30 40 HIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1 9585749 MRLGMDUBWKXYEC-UHFFFAOYSA-N 406.935 4.250 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 12322906 MIPUWJARNBMVMA-WLRWDXFRSA-N 424.482 4.128 30 40 HIEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cccc(C#N)c1 16227222 HRJUFFQVCNPOLO-UHFFFAOYSA-N 412.371 4.201 30 40 HIEB CCOc1ccc2nc(N3CCN(C(=O)Nc4ccccc4C)CC3)c(C#N)cc2c1 20142994 NLHXIGPXPXZTAA-UHFFFAOYSA-N 415.497 4.168 30 40 HIEB COc1ccccc1NC(=S)NCCNc1nc2cc(C)c(C)cc2cc1C#N 35312941 DFPAUKGDJJSSRZ-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1C1CC1 40025725 UWKNTKPXDXPZIM-UHFFFAOYSA-N 418.371 4.214 30 40 HIEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 97466742 COTHVSZBIFBMQP-OEEVFVCYSA-N 410.495 4.496 30 40 HIEB Cc1ccccc1C(=O)NCCC(=O)N1CCS/C1=N\c1cccc(Cl)c1C 102886207 FPAFSOMPTNSTBX-FLFQWRMESA-N 415.946 4.340 30 40 HIEB C=CCOc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 225818842 MFNCVMHTKWLTPY-UHFFFAOYSA-N 420.556 4.369 30 40 HIEB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F 408953101 LNVGDEHCUGYEMP-CQSZACIVSA-N 424.272 4.051 30 40 HIEB Cc1ccc(C)c(N/C(S)=C(\C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)c1 3365242 GAMJXBVZDSIUCM-UHFFFAOYSA-O 419.526 4.413 30 40 HIEB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2cccc3ccccc23)C1=O 6588157 RRFNCNUQCLKOME-WUKOTQDVSA-N 409.392 4.242 30 40 HIEB COc1ccc(/C=N/Nc2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)cc1 8295787 WNHHLSDBLWIIBS-FSJBWODESA-N 404.495 4.100 30 40 HIEB Cc1nn(-c2ccccc2)c2sc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc12 35448673 KQNBAFBELNIQFA-QGZVFWFLSA-N 416.510 4.203 30 40 HIEB S=C(N/C(=N\c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 36293398 LDVLFSBLHPGMEP-UHFFFAOYSA-N 414.578 4.457 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)N1CC 59104186 JOMZWKOXHJXPHL-OFPPLWLTSA-N 409.511 4.016 30 40 HIEB CO[C@@]1(/C(C)=N/O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918646 FRVKEWVTLSYVMG-IICNOCNRSA-N 419.562 4.087 30 40 HIEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCC(=O)Nc1ccccc1 408594630 IVRIRCKNEORQJU-CVKSISIWSA-N 415.449 4.135 30 40 HIEB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C#N)cc4)c3C)C2=O)cc1 686783 NAZHUQHMUFQPSE-YDZHTSKRSA-N 410.477 4.367 30 40 HIEB O=C1N/C(=N/N=C/c2ccc3c(c2)OCO3)S/C1=C\c1ccc(Cl)cc1Cl 3099029 JNLRWBKBSKUWHH-RIKSFRAOSA-N 420.277 4.316 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1OC 4945090 KPMIMPIPSWSKEH-UZUQRXQVSA-N 416.481 4.019 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]12 5186456 GSRCISJQAVNUPA-XWYWGPMTSA-N 404.469 4.303 30 40 HIEB COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N 5675519 CDXMNCUSFKOGNV-YVLHZVERSA-N 400.843 4.492 30 40 HIEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCc1ccco1 10343854 IYSIEWGBXVODNQ-LJQANCHMSA-N 407.514 4.250 30 40 HIEB CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2cc(OC)ccc21 28182605 DWZGICNXPVFJOS-FBHDLOMBSA-N 421.449 4.146 30 40 HIEB C=CCc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCC 32109668 HVNCVQKTADGNEL-QFEZKATASA-N 408.502 4.380 30 40 HIEB C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 72281279 CEWDGVSFKOMNCD-QRWLVFNGSA-N 415.896 4.044 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1Cl 102501125 OYTYVXKMVZWOHR-NHFXJNLRSA-N 420.852 4.370 30 40 HIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccccc1I 408549838 AAMATUVOXRXGRM-ZROIWOOFSA-N 424.238 4.322 30 40 HIEB COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C)C3)cc1CN1CCOCC1 2739708 OBYPOFIQWLVKGF-MMDHUZEPSA-N 409.555 4.336 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCc3ccc(C#N)cc3)cc2)cc1 10149042 FDWIETJEUXMVCL-UHFFFAOYSA-N 420.490 4.049 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 10231057 NORQWVITWKYOFW-UHFFFAOYSA-N 419.432 4.276 30 40 HIEB COc1ccccc1NC(=S)NCCNc1nc2cc(C)cc(C)c2cc1C#N 35292316 SZAWXIDKPRKNJO-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])c1cnc(Nc2ccccc2)s1 57472762 KWLNQMBYLLOZAO-QJOMJCCJSA-N 411.443 4.174 30 40 HIEB CCCCn1c(N)c2c(=O)n(CCCC)c(-c3ccc(C)cc3)cc2c(C#N)c1=O 68754925 YPGRFLYJDBZKCI-UHFFFAOYSA-N 404.514 4.193 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(C)c2ccccc12 1531283284 UAAPOZWXFFTXQR-FSJBWODESA-N 423.314 4.485 30 40 HIEB Cc1cc2nnc(SCC(=O)N(CCC#N)c3ccccc3F)n2c2ccccc12 9640026 MSFJKLVDDIDVQE-UHFFFAOYSA-N 419.485 4.369 30 40 HIEB C=CCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)/C=C/c2ccco2)c2ccccc21 10157835 YHYFLSQMZPXMCD-AAJFVQQISA-N 412.445 4.242 30 40 HIEB C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354344 QBGPPUGRACVTSF-KRWDZBQOSA-N 421.284 4.455 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)Nc1ccccc1 12320977 NRUCIBZFPFTGGX-BGARDKSCSA-N 406.558 4.444 30 40 HIEB C(=N/Nc1nc2ccccc2s1)\c1ccc(Sc2nnnn2-c2ccccc2)o1 12377122 LQQLSSSJLBJOHC-UDWIEESQSA-N 419.495 4.462 30 40 HIEB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 18169720 UJRUAKRIYLZNPE-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB COc1ccccc1N1CCN(C[C@@H](S)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 57600756 RLRPQSHQFUGEOP-HSALFYBXSA-N 406.636 4.347 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102401943 CWLIPUQOONQPCG-CDDRTKSISA-N 411.523 4.472 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1 408896681 HHZUHQBIOLPHDU-PGMHBOJBSA-N 420.465 4.097 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=N\c1cccc(I)c1 409069530 LGKFKAQSCUZKJC-MOSHPQCFSA-N 406.267 4.187 30 40 HIEB COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O 2103509 VZVMSKSPEHMDHJ-NDENLUEZSA-N 406.390 4.441 30 40 HIEB biogenic CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5488653 RKPKBCTUDRHDQW-NHFXJNLRSA-N 412.917 4.104 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C(C(=O)OC(C)C)=C(C)N2 7990940 MCJUGCKKDRJNBX-KRWDZBQOSA-N 411.527 4.139 30 40 HIEB Cc1ccc2cc(C#N)c(NCCNC(=O)C34CC5CC(CC(C5)C3)C4)nc2c1C 20151472 RILUIMZSKHBERS-UHFFFAOYSA-N 402.542 4.468 30 40 HIEB COc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 100587651 YNROXWIHWIAEMG-FQEVSTJZSA-N 421.522 4.045 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)(C)C)cc1 102717353 NHTBIRQEMLCNDI-NHFXJNLRSA-N 411.498 4.344 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220545165 QVEBHWFCXRPOQB-HXUWFJFHSA-N 416.543 4.052 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1nccs1 225247637 JWJAQQYZSMGDPV-NRFANRHFSA-N 420.494 4.355 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)O)S2)cc1 408532804 PCSCNVIEGPEJAV-SXGWCWSVSA-N 402.859 4.003 30 40 HIEB Cc1ccc(C(=O)N2N=C(C(F)(F)C(F)(F)C(F)(F)F)C[C@@]2(O)C(C)(C)C)o1 409001058 GHFUQZPDOUALKV-CYBMUJFWSA-N 418.309 4.358 30 40 HIEB CC[C@H](C)Oc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409405217 NMOXDYPQDGIIBI-KMNSEVKQSA-N 407.297 4.312 30 40 HIEB CCc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)cc1 1354922 ZROLAHGVWSWYOA-UHFFFAOYSA-N 405.479 4.171 30 40 HIEB N#CC1(C#N)[C@@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 4797283 FWYZPEJXKRUYAS-SGNDLWITSA-N 402.457 4.366 30 40 HIEB COc1cccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)c1 4831851 PLSTVYFMDHSYJD-PSLXWICFSA-N 417.509 4.251 30 40 HIEB COCCn1c(SCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O 9141140 QHAGWTRDPKJOJD-UHFFFAOYSA-N 405.932 4.431 30 40 HIEB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 10253594 RBELINFRYVDEAV-ZDUSSCGKSA-N 402.541 4.179 30 40 HIEB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC1(C#N)CCCCC1 11398574 QBDRSKQQGWFPGF-MRXNPFEDSA-N 417.465 4.383 30 40 HIEB CC1(C)Cc2ccccc2C(/C(=N/O)C(=O)Nc2ccc(Br)cc2)=N1 13777768 PGWBFYOEFXENIZ-QJOMJCCJSA-N 400.276 4.042 30 40 HIEB O=C(NC(NCCc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1 19939233 HKEDWRQZSJSSIY-UHFFFAOYSA-N 408.317 4.209 30 40 HIEB COc1cc(/C=N/c2ccc(C(=O)O)cc2)ccc1OCc1cccc(C(=O)O)c1 59250271 PGVFSRIYZUVKSP-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)c1 102579047 FVUALOSPKKEIAI-ZHHPLPSFSA-N 413.473 4.360 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 102876787 LPPAWBSGQKRXBI-NHFXJNLRSA-N 407.397 4.049 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 3190557 KSCZUVNEYGVYBC-LQDNNDEMSA-N 413.860 4.090 30 40 HIEB biogenic CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5787849 LJQHGEDNPQKBDF-INIZCTEOSA-N 406.225 4.412 30 40 HIEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 9846340 KXEFEMMWMJDIHH-XAIYEJPOSA-N 418.316 4.039 30 40 HIEB Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)c1 12062010 LRHMPSQMHKOTHB-DYESRHJHSA-N 420.538 4.213 30 40 HIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O[C@H](C)C(=O)O)cc1 13361777 YJKNVGADFDILFT-BIPYJSMBSA-N 405.244 4.206 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 19314963 XSHYUDFDGFSOLX-GOSISDBHSA-N 419.905 4.221 30 40 HIEB COc1cc2c(cc1OC)CN(C/C(O)=N/c1nnc(C3CCCCC3)s1)CC2 19716668 CRQHETCSLKAVBJ-UHFFFAOYSA-N 416.547 4.249 30 40 HIEB CCCN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 19805322 BYMKRWHYWQDRHG-OMYAATJGSA-N 407.426 4.265 30 40 HIEB aggregator C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 33810311 BYBQUGDXZDENFY-KRWDZBQOSA-N 423.538 4.257 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 100331845 OVYZTXLUOHRVAB-HOGKFDNTSA-N 415.445 4.330 30 40 HIEB CCOc1cc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O 102500445 AMHFDDXUDLNIEZ-MRJHHRETSA-N 419.433 4.006 30 40 HIEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccs2)s1 102740465 AXTPTFBQJLNBII-REQDGWNSSA-N 417.537 4.411 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220545388 PCPNGBPWMGITHO-FQEVSTJZSA-N 416.543 4.052 30 40 HIEB COc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1OC 1473658 XKSPHWBJOVYQFM-UKWGHVSLSA-N 409.298 4.440 30 40 HIEB COc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 6839236 DETHCJRLCIQBRL-FMIVXFBMSA-N 410.495 4.092 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7129897 OAXWGDNYDNGVFC-CWTRNNRKSA-N 404.561 4.069 30 40 HIEB COC(=O)c1ccc(CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1 9970830 QXQUQXFNURJICJ-UHFFFAOYSA-N 404.447 4.428 30 40 HIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C)[nH]3)c2C#N)C1 11659299 WJMGKONWAUXZDL-LBPRGKRZSA-N 403.577 4.318 30 40 HIEB O=C(O)c1ccccc1N/N=C/c1cc(Br)c(O)c(Br)c1 11903693 MAOFFAFMRHUKOP-REZTVBANSA-N 414.053 4.061 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@@H](C)c4ccccc4)CC3=O)n2)cc1OC 13571537 NLROULHTRQKJCN-AWEZNQCLSA-N 421.522 4.101 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F 19973797 XZUXQUPSJAGULN-FQEVSTJZSA-N 414.477 4.037 30 40 HIEB N#CCN(C(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 23869940 HYTRQHSDNMDKMW-UHFFFAOYSA-N 423.321 4.327 30 40 HIEB CCn1c(=O)c2ccccc2n2c(COc3ccc(-c4ccc(C#N)cc4)cc3)nnc12 29272599 DANLDVLUVZQMCO-UHFFFAOYSA-N 421.460 4.182 30 40 HIEB O=C(O)COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1Cl 59678522 USOSODFXDQHITL-CHHVJCJISA-N 423.277 4.348 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 104196561 XRFSUHSKVOYZOG-UYTDBDHRSA-N 411.870 4.126 30 40 HIEB Cc1c(CN2CCC[C@@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)[nH]c2ccccc12 585294138 OQULBIWLWITNGC-HSZRJFAPSA-N 409.497 4.614 30 40 HIEB CCc1nc(SCC(=O)NCc2ccc(OC)cc2)c(C#N)c(C(F)(F)F)c1C 663928 RETOJOGQOKJEGG-UHFFFAOYSA-N 423.460 4.260 30 40 HIEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 937266 GKKBPCHACKETSW-SJCJKPOMSA-N 406.511 4.097 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)c(OC)c1 2700583 BDOURXBNFKORRV-UHFFFAOYSA-N 413.474 4.262 30 40 HIEB CCn1c(C)cs/c1=N/N=C/c1cc(Br)c(O)c(Br)c1 2887843 OXXWZMCCOROWRU-DLQNABGMSA-N 419.142 4.043 30 40 HIEB COc1ccc(C(=O)Oc2ccc(/C=N/c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 3088963 OTFVAVIXKIHJIE-LPYMAVHISA-N 421.365 4.481 30 40 HIEB O=C(C[C@@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 4537258 STNWWFDJELGPNZ-NRFANRHFSA-N 411.486 4.280 30 40 HIEB CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C\c2ccc(C)cc2)C1=O 4547917 BNFYZGKZDFTAQM-ATVHPVEESA-N 410.451 4.447 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063412 YCXQLVHHERYFIU-UHFFFAOYSA-N 411.933 4.107 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccn2C)n(Cc2ccccc2)c1C 9549163 RQFQGKXLZFYSGI-QHCPKHFHSA-N 415.541 4.139 30 40 HIEB Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1ccc(Br)cc1 13598752 CBXQEZKOEJKEHH-MQIUFUGCSA-N 402.317 4.223 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C#N)C1 14426038 ZNYQVCUIGCGDEC-ZDUSSCGKSA-N 421.522 4.005 30 40 HIEB CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2c(Cc3ccccc3)nnc2S1 15881884 CUBHLGGVYZAETI-UHFFFAOYSA-N 424.913 4.070 30 40 HIEB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC#N 35982300 LBQXZQBBDPGDNC-UHFFFAOYSA-N 407.417 4.032 30 40 HIEB CC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 89292168 OVNFLRNMCHIYGD-JSGCOSHPSA-N 413.829 4.270 30 40 HIEB C=CCOc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 408617217 IUJDFYFYSDVXNO-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NC[C@H]1CCCO1 408802244 YQCDEOBOINNROB-VPCUTTBHSA-N 406.404 4.130 30 40 HIEB CCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408907076 LOHIKVYWNQRBJO-MSYUKONTSA-N 413.455 4.323 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccc(Cl)cc1 409146931 VQEAQCHTVJOICY-CVWKSKFMSA-N 420.896 4.450 30 40 HIEB Cc1ccc(OCc2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 646647 AWFFBWZJRWPMMJ-UHFFFAOYSA-N 408.889 4.414 30 40 HIEB CCOC(C(=O)OCC(=O)Nc1ccccc1C#N)(c1ccccc1)c1ccccc1 3355176 BYSJIYAOYRRJRZ-UHFFFAOYSA-N 414.461 4.020 30 40 HIEB COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)c1 4802927 POAUWOIOHHPANO-NPMXOYFQSA-N 417.509 4.251 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]12 17082856 GSRCISJQAVNUPA-DDBVPJQNSA-N 404.469 4.303 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1nc2ccccc2s1 100628284 KYBBPQWHFATUKH-LWYOUWALSA-N 422.535 4.443 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(F)cc1 102649391 SIPMKSJJVYXRTR-YDJIHCHBSA-N 422.843 4.496 30 40 HIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958266 SGXBMUOCGXTHEL-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 225961176 LWEBJKPOGUYFDJ-JOCHJYFZSA-N 411.889 4.005 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c([N+](=O)[O-])cc1OC 408908354 ROXFAQWIUZJINT-POEAGTOVSA-N 413.455 4.154 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)cc1 409311904 CQPSDLXDXYTATB-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB CCCCNC(=S)N(C)/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3311396 KREJACMWWFXZIH-PCLIKHOPSA-N 421.570 4.488 30 40 HIEB CN(C)c1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 4119077 SUFZITRWKFWWEX-JJIBRWJFSA-N 416.533 4.118 30 40 HIEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 5094149 OVHBEHWVZLGXJN-IEBWSBKVSA-N 400.482 4.217 30 40 HIEB CSC(=N/N=C(/C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)SC 5831045 XKGWMOQBYMNPBB-RGEXLXHISA-N 407.586 4.318 30 40 HIEB COC(=O)c1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1 5905006 RQRDNJPELKOCKQ-JSDDMWTDSA-N 402.859 4.066 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccc(C)cc4)CC3)o2)cc1 12418571 VPOJOOWQZGICRG-FMIVXFBMSA-N 412.493 4.296 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)CC)C1 19498607 GAGZRDCSYWENFG-VWLOTQADSA-N 408.517 4.356 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)c1 24926447 USNTWWJQBMZJJK-UHFFFAOYSA-N 406.419 4.095 30 40 HIEB N#Cc1ccc(CN2CCC[C@@H](c3ccn(Cc4ccc(C#N)cc4F)n3)C2)c(F)c1 58004630 XCTOFBXZUPMCBG-OAQYLSRUSA-N 417.463 4.333 30 40 HIEB COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2cc(F)ccc2F)cs1 95455156 CMEGGMGYPCHBPU-CQSZACIVSA-N 413.405 4.121 30 40 HIEB Cc1nnc(S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)O)o1 408632028 CCSFXOOSAYDSJZ-JMIUGGIZSA-N 416.462 4.471 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)S2)cc1 408951711 JUBYTKRNNGBKMF-YBFXNURJSA-N 421.478 4.016 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@H]2c1ccccc1 2410019 OPLVWUGWFWNJCY-IBGZPJMESA-N 423.476 4.354 30 40 HIEB N#Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 8332913 BURIAJBEJHTDBB-UHFFFAOYSA-N 406.463 4.003 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)CCC3)n(C[C@H]2CCCO2)c1C 14202187 JVDNHZCIVGPWLO-LJQANCHMSA-N 409.555 4.375 30 40 HIEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC 19972692 OEYCKJDKOVPRMW-UHFFFAOYSA-N 401.890 4.448 30 40 HIEB Cc1cc(C)c2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)cc4F)CC3)nc2c1 35291533 KNVMTQJRSZWMMB-UHFFFAOYSA-N 420.463 4.354 30 40 HIEB C/C(=N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)c1ccc(Cl)cc1 59475403 CEOIJKDKRQHHJD-JHCHLJSSSA-N 415.902 4.352 30 40 HIEB CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1OC(C)C 96193635 FCEHBLDHWFPWDC-WZUFQYTHSA-N 403.070 4.315 30 40 HIEB CCCC/N=C1/S[C@@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CCCC 101526290 KGCIQXGQIVZNBC-KHOFPDMRSA-N 405.564 4.314 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S 222141209 ZFIWBENAQJKTKA-UKTHLTGXSA-N 407.278 4.066 30 40 HIEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1CC 408560988 SYGGCTDVMCMGQI-UHFFFAOYSA-N 418.563 4.328 30 40 HIEB CON=C(C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1 575444781 ONCZDRURRATYFI-ZBZKSVKSSA-N 408.376 4.170 30 40 HIEB CCCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1 4824237 FXDWETJDIBIKMZ-AFUMVMLFSA-N 404.470 4.338 30 40 HIEB C=CCN(CC=C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C 4835094 JJNVBKAQWKRKNY-UHFFFAOYSA-N 419.554 4.239 30 40 HIEB O=C(COc1ccccc1)/N=C1/N=C/C(=N\Nc2cccc(C(F)(F)F)c2)S1 6453603 MZOODTGFLDVGNI-FSNZJZMUSA-N 406.389 4.210 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 8467977 LLHFLLSTSHSUBP-FQEVSTJZSA-N 412.917 4.097 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c2C#N)C1 16047954 WOCQXZUMZKKUTJ-LBPRGKRZSA-N 422.959 4.200 30 40 HIEB CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 32253918 NPOLHVPNACLHLI-UHFFFAOYSA-N 419.868 4.403 30 40 HIEB C=CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)c1ccc(F)cc1 32579368 DUAMTAFHIGQNAM-UHFFFAOYSA-N 424.501 4.068 30 40 HIEB CCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828861 IINQLKYOTPZVJP-QGZVFWFLSA-N 400.891 4.144 30 40 HIEB Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(O)cc2)sc1C 102882257 OBXQCCZEOBFNBV-SELCWUDQSA-N 406.463 4.092 30 40 HIEB CCOc1cc(/C=N/O)cc(I)c1OCc1ccccc1F 253570669 NXUNRJQKIYNJPL-DJKKODMXSA-N 415.202 4.216 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409130075 IFMSUWFWIVHSOH-WOJGMQOQSA-N 414.303 4.244 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C#N)cc2c1 1354851 DATYIZIPBDUCII-UHFFFAOYSA-N 421.478 4.007 30 40 HIEB Cc1ccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc(C)cs3)s2)cc1 7183034 LEIUPDGUSBGWJU-ZDUSSCGKSA-N 401.542 4.324 30 40 HIEB COc1cc(OC)c([C@@H]2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OC 8467317 COJPWEFFRMUVFR-OAQYLSRUSA-N 417.461 4.014 30 40 HIEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1 8821132 GGDQWIBYBJYWOC-GDNBJRDFSA-N 417.284 4.127 30 40 HIEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)ccc1OCc1ccccc1 12347078 GKNZVXCORQLCSD-HXUWFJFHSA-N 417.465 4.267 30 40 HIEB N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 12922184 BPPSKDHQKGGUCC-UHFFFAOYSA-N 423.516 4.137 30 40 HIEB N#Cc1c(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn2ccccc12 14728692 AVPMRRCCLPMNOB-UHFFFAOYSA-N 421.884 4.060 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 17082855 NINLALHNOVUKLL-DDBVPJQNSA-N 404.469 4.303 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 27531889 XXIKEJMNZYEHHP-AQTBWJFISA-N 411.479 4.247 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OC)c1OCC 59135573 KNLUHTSMIUDNHM-LDADJPATSA-N 424.428 4.468 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@H]12 82051523 QFCBTOZSDBUXDI-CFXNPWLASA-N 424.585 4.131 30 40 HIEB Cc1ccc(COc2nn(Cc3ccc(Br)cc3)c(N)c2C#N)cc1C 225843769 WXCXQKYJVKRZDY-UHFFFAOYSA-N 411.303 4.344 30 40 HIEB Cc1ccc(CS/C(N)=N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2074576 GUFPRTQDBKNZQH-XTCLZLMSSA-N 414.534 4.494 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 4905441 AKSWROUCWIGWAG-GOSISDBHSA-N 403.475 4.281 30 40 HIEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8435872 KUFKYDZGTNIKOK-WOJGMQOQSA-N 407.407 4.452 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl)c1cccs1 8838268 JYCWIIPBAILXSI-PXAZEXFGSA-N 403.887 4.159 30 40 HIEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)cc1 32501355 KYBAUDRRIABFEK-YVNNLAQVSA-N 414.461 4.367 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1 38182137 PSJVHMXNWVHAGN-OMCISZLKSA-N 416.025 4.282 30 40 HIEB O=S(=O)(/C=C/c1ccccc1)/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2 40129896 CPDUQLYZCYUVDF-HRCSPUOPSA-N 405.859 4.082 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)n1ncc(C(=O)Nc3ccccc3)c1N2 44859089 DRQAYNYIQDSWOD-NRFANRHFSA-N 402.429 4.297 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(I)c(C)c1 100149982 AYBDFTZKCJQOPF-MBTVCVBTSA-N 417.250 4.341 30 40 HIEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cccc1OC 100765930 UFKMNUOMKJMQEI-PMACEKPBSA-N 409.526 4.283 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)o1 222318812 XNMTUWSDEQIYCH-ZXRRGKLTSA-N 406.869 4.295 30 40 HIEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224659333 KIKCCVDKBBYFJR-UHFFFAOYSA-N 423.918 4.215 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2)[C@H]1N(O)C(=O)NC1CCCCC1 1055016 QEPCQLXERPXDQQ-UOEVCUDDSA-N 406.577 4.192 30 40 HIEB C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 1801465 FNWGVZWIROZCMH-HEHNFIMWSA-N 405.523 4.044 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 6813572 TVJUWSBWUAFMJB-PKOBYXMFSA-N 415.848 4.236 30 40 HIEB C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 8990566 XVAFXYFJCVMTQN-NTFKBBGSSA-N 420.490 4.226 30 40 HIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c1 9264891 MHKYIKZDOVZNES-YDZHTSKRSA-N 407.430 4.020 30 40 HIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1C#N 13144935 QQCAVQJSVOHHOY-VROXFSQNSA-N 424.844 4.466 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 13809945 ASAOGVYYVSTGTP-ZIFCJYIRSA-N 405.546 4.168 30 40 HIEB CC(C)[C@@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987006 XTOUXSDZTCJFAG-XMMPIXPASA-N 403.482 4.188 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804399 DGCUMNFNVJEZKO-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)SC1=S 408572765 ICGMAZINOQPENS-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB CCOc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1OC 408752476 IPKSDTWWSGAPKQ-WOJGMQOQSA-N 413.455 4.202 30 40 HIEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 408916864 HNGRMPOEVBDISE-DEDYPNTBSA-N 411.454 4.473 30 40 HIEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 408938671 RALYQHFYVIPILJ-GDNBJRDFSA-N 417.248 4.225 30 40 HIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 2055265 UCXYXVCHFQYJKZ-OAQYLSRUSA-N 411.498 4.037 30 40 HIEB N#Cc1ccc(OC[C@H](O)CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6949609 GVEICCSPGYMWGR-QPPBQGQZSA-N 411.505 4.201 30 40 HIEB C=CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1nc(-c2ccccc2)cs1 7781283 MKVLEMHYCZLWIT-UHFFFAOYSA-N 412.536 4.188 30 40 HIEB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(C#N)cc1 7990815 BQOHQGFPWCLHPH-UHFFFAOYSA-N 413.543 4.132 30 40 HIEB O=[N+]([O-])c1cccc(N/N=C/c2cc(Br)c(O)c(Br)c2)c1 9097129 SIIKFSXHFAJTAB-FRKPEAEDSA-N 415.041 4.271 30 40 HIEB Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2c(C)nc3ccccc32)/C(=N/O)CCC1 17836273 JGLNEYZMCHAXFN-IXPCLDGGSA-N 402.498 4.184 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1nnc(/N=C(\O)c2ccccc2Cl)s1 20486626 GRCXSYIEJLLTPR-UHFFFAOYSA-N 422.919 4.043 30 40 HIEB COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O 20518494 VMEGJLKDMWBOIM-UHFFFAOYSA-N 405.845 4.217 30 40 HIEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2c(C)nn3c(C(F)(F)F)ccnc23)c1C 25043896 JJYRKMHLCYAHRJ-VOTSOKGWSA-N 420.391 4.074 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 26456763 AHRYQIZAEZKQLU-JLCFBVMHSA-N 405.473 4.382 30 40 HIEB O=C(COc1ccc(Cl)cc1)Nc1nc(C2=Cc3ccccc3CC2=O)cs1 32636377 XQNNARPMYDSAQD-UHFFFAOYSA-N 410.882 4.480 30 40 HIEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CCOCC4)o3)cccc2c1=O 36364902 ZWJVUSQUFMFBQD-UHFFFAOYSA-N 413.433 4.132 30 40 HIEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@@H]1c1cccnc1 96372345 TZOBFGSXBGYAFI-ARNLJNQMSA-N 402.457 4.491 30 40 HIEB O=C(N1CCCCCC1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 104809695 WLURDAWPUYVGLO-QMMMGPOBSA-N 411.211 4.424 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 408528729 HABUVPBQWOSSCZ-UYRXBGFRSA-N 408.479 4.235 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 409233096 KCQHCQNFAHBIGH-XDHOZWIPSA-N 424.884 4.152 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 5014279 RPXLYXKELRGIKK-QUCCMNQESA-N 411.885 4.406 30 40 HIEB COc1ccc(C(=O)/C(=C(\S)Nc2cccc(C)c2)[n+]2ccc(N(C)C)cc2)cc1 6401345 YDWJWSNRYGWUDG-UHFFFAOYSA-O 420.558 4.408 30 40 HIEB N#Cc1c(COC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cn2ccccc12 10425039 NLTJPRLCKPLDLR-SFHVURJKSA-N 411.870 4.011 30 40 HIEB COC(=O)c1cccc(COC(=O)c2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)c1 16194264 VMBOHJFNPFVBLO-UHFFFAOYSA-N 412.401 4.366 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c1OC 20611222 JSRUEBJBIBOHNI-MNAFEPAFSA-N 409.482 4.400 30 40 HIEB biogenic COC(=O)C[C@H]1S/C(=N/c2ccc(C)cc2)N(CCc2c[nH]c3ccccc23)C1=O 101379671 YJEGOFJIBQUYCI-XMVGPFMNSA-N 421.522 4.214 30 40 HIEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)OC 408813914 FCKQMFQSGXISQK-UYRXBGFRSA-N 409.463 4.208 30 40 HIEB CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl 409293687 JEAAJIWFOOQPPY-UHFFFAOYSA-N 420.694 4.402 30 40 HIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/NC1=C(C)[C@@H](C)[C@H](c2ccccc2)C1=O 1554503340 FENKODFONSFNEI-LNQNNGKXSA-N 420.900 4.285 30 40 HIEB CC(C)(C)c1ccc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)cc1 3292400 ANQCAOYIFDREEG-UHFFFAOYSA-N 409.463 4.054 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 5691045 BRPYMQXBKFKNIF-QUCCMNQESA-N 411.885 4.406 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 6455704 HVWNIMIKOQIVKV-QGZVFWFLSA-N 422.554 4.033 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 6813181 GZPRBWDBISTOCD-OAQYLSRUSA-N 400.434 4.182 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1Cl 9507372 VNKPZRWRPLZAHM-UHFFFAOYSA-N 412.689 4.292 30 40 HIEB N#CCCn1cc(/C=C/C(=O)NCCSCc2ccccc2C#N)c2ccccc21 12517372 SCCRIXLHFPUVTO-ZHACJKMWSA-N 414.534 4.489 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(N(C)C)cc2)cc1 16742035 FRJOQWYPEVGOHE-JOCHJYFZSA-N 418.493 4.082 30 40 HIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1 17092105 HQXGEXGKRRXLEM-KEBDBYFISA-N 420.332 4.437 30 40 HIEB C=CCc1cc(C(=O)N(C)Cc2ccccc2Br)cc(OC)c1OC 23572897 KPFCEPAOHGCATO-UHFFFAOYSA-N 404.304 4.467 30 40 HIEB COc1ccc(-c2nc(SCCCOc3ccc(C)c(C)c3)[nH]c(=O)c2C#N)cc1 25593301 AWQYXQCPPXAQCV-UHFFFAOYSA-N 421.522 4.495 30 40 HIEB COc1ccc(-c2nc(NCc3ccccc3OC(F)(F)F)nc(O)c2C#N)cc1 40130027 CWHYAVALQVHTJJ-UHFFFAOYSA-N 416.359 4.240 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12 61992807 DYNOLVYTIQFOGO-LEKAPFLCSA-N 412.549 4.262 30 40 HIEB biogenic O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 103167370 AYXHHTXSFZZGFF-UWVGGRQHSA-N 422.247 4.120 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341704 PZVVFPKRFKXTGO-AATRIKPKSA-N 406.663 4.266 30 40 HIEB C#CCOc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1OC 409291302 AQRNXKUEUDYABL-UHFFFAOYSA-N 415.493 4.347 30 40 HIEB COC(=O)c1ccc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn23)cc1 675953 FNWFESUDVJRUTP-ZVHZXABRSA-N 401.422 4.253 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1cccc(C(C)=O)c1 4576624 KQIILKGENGBZTL-LRVSTDGRSA-N 423.538 4.486 30 40 HIEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8418538 WXASMOFORDXXMZ-WOJGMQOQSA-N 407.407 4.452 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O[C@@H](C)C(=O)N(C)C 13041959 ZDVSRIBBJMFVQF-MFMIUCCHSA-N 401.890 4.490 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C 17146166 NVERUWAYXLGFEX-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1ccc(I)cc1 18191527 UBKJJJIOMZPIIE-UHFFFAOYSA-N 414.266 4.052 30 40 HIEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 20650785 FFUZXLHTCLDZRQ-OCKHKDLRSA-N 415.873 4.370 30 40 HIEB CC(C)CCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828723 FSPVPPAHNCLINX-LJQANCHMSA-N 412.490 4.265 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)oc2c1 70666670 KUEGNVFMYXBAPX-QGZVFWFLSA-N 413.514 4.063 30 40 HIEB biogenic O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1Cl 408535761 ORGFSJJYFQWUBT-GFCCVEGCSA-N 410.644 4.248 30 40 HIEB C=CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br 408744275 ZHDXHMACCAJTKU-VCHYOVAHSA-N 421.207 4.276 30 40 HIEB COc1cc(/C=N/n2cnnc2S)cc(Cl)c1OCc1ccc(Cl)cc1 408821662 JXPKDDSQOHFTGW-ODCIPOBUSA-N 409.298 4.343 30 40 HIEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 409217915 FTAIWHXOOXCNNP-FRKPEAEDSA-N 415.833 4.026 30 40 HIEB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 1408943 GOFJBOUUEAIDFE-UHFFFAOYSA-N 401.401 4.001 30 40 HIEB CCOC(=O)c1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)sc2c1CCCC2 4807568 QSCYFLHXSRLBNC-KEBDBYFISA-N 404.444 4.177 30 40 HIEB COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc(OC)c1 4876136 NJHAWYOPGKCHQP-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB COCc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)c(=O)c1C#N 8391686 FFZGJEMGWHAAQX-UHFFFAOYSA-N 417.490 4.004 30 40 HIEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 13010793 JIUUKLWTMKGRHT-HNNXBMFYSA-N 412.946 4.430 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 19314698 AUSYSTQKLQJNMU-HSZRJFAPSA-N 403.478 4.407 30 40 HIEB COc1ccc(OC)c([C@@H]2CCCN2C/C(O)=N/c2nnc(C3CCC3)s2)c1 19658405 SEWBALIHPDCKQL-INIZCTEOSA-N 402.520 4.248 30 40 HIEB COc1ccccc1-c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1 22775845 YZLZVRCXHFUHAJ-UHFFFAOYSA-N 404.539 4.008 30 40 HIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3cc(OC)c(OC)cc3Cl)C2=O)s1 33869141 KMLBMEDTHOKBTI-HNLZMFCHSA-N 409.920 4.189 30 40 HIEB CC(=O)n1nc([C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1C 95708083 MGPBQLGSEDKWCX-SSDOTTSWSA-N 408.167 4.343 30 40 HIEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710051 NAKDMNYJZDQARJ-UHFFFAOYSA-N 423.557 4.074 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C 871471 ZLQZVKIEVNXQOE-UHFFFAOYSA-N 405.907 4.081 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1 1895619 GGVBKKUCEDNZDY-OJSPLJLUSA-N 401.513 4.163 30 40 HIEB CCn1c(/C=C/c2ccc(C#N)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 5071075 PBOCCBBIUBMIIO-JXMROGBWSA-N 405.401 4.392 30 40 HIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](c3ccc(F)cc3)CC1=O)N2 5390581 WQKLYXWMBMBGKK-ZSEKCTLFSA-N 410.399 4.420 30 40 HIEB N/C(=N\OC(=O)Nc1ccc(CSc2ccc(Cl)cc2)o1)c1ccccn1 6591112 AVOHLEOMELJOTQ-UHFFFAOYSA-N 402.863 4.489 30 40 HIEB C=CCn1c(SC[C@H]2COc3ccccc3O2)nc2scc(C3CC3)c2c1=O 6602808 ZOLHCXQDEKGIRL-CQSZACIVSA-N 412.536 4.454 30 40 HIEB C=CCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nnc1C1CCCCC1 6940593 GGXLRRVIWGSMCL-UHFFFAOYSA-N 420.604 4.054 30 40 HIEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCC#N)n2C2CCCC2)cc1 8929405 UGCYJMQLTONTHV-UHFFFAOYSA-N 411.575 4.480 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N(O)C(=O)NC1CCCCC1 13756842 NDORJQUIRKBZGJ-GKXUUXLPSA-N 424.567 4.332 30 40 HIEB CCC/C(Nc1ccc(Br)cc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100162981 UKDJPIJTVLYLOU-WAIALKQBSA-N 422.319 4.273 30 40 HIEB C/C(Nc1ccccc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(O)c1 100252136 BANKBFZWKKKCEL-VAZXNAHHSA-N 400.434 4.141 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/C23C4c5ccccc5[C@H]2[C@@H]3c2ccccc24)cc1 105026609 COUAMXYFPQBXNB-IJFWSDKYSA-N 400.503 4.286 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(I)o3)S2)cc1C 408753073 LGMAUERIOQFFMA-JYRVWZFOSA-N 424.263 4.393 30 40 HIEB O=C(OCC#CCSc1nnc(-c2ccc(Br)cc2)o1)c1ccco1 2479150 AEHRWLMVAGTIDL-UHFFFAOYSA-N 419.256 4.045 30 40 HIEB CCCCCCCCNC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N 3286036 DZZMNFPSWSSIJP-UHFFFAOYSA-N 404.894 4.439 30 40 HIEB C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3Cl)nnc12 3542515 CCJIJOZJKSIHHO-UHFFFAOYSA-N 412.902 4.055 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OC)c1 6564497 RJZBPGYCHGBPCB-IBGZPJMESA-N 415.873 4.433 30 40 HIEB N#Cc1c(N)nc2sc(C(=O)OCc3ccccc3)c(N)c2c1-c1cccs1 19805298 IFLOITXXEVOXFI-UHFFFAOYSA-N 406.492 4.418 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)cc(OC)c1OC 36739967 COQVSAAWRWLXMX-QUCCMNQESA-N 404.514 4.045 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 40286809 TZBITADCRBXVEH-VLIAUNLRSA-N 406.417 4.197 30 40 HIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 40288060 SXFPEJWRKIBECI-VLIAUNLRSA-N 406.417 4.197 30 40 HIEB C#CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 72268250 CWJODDXRVLRTDT-QHCPKHFHSA-N 404.510 4.002 30 40 HIEB C=CCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 225631526 FDUPKHMVIFAJHX-UHFFFAOYSA-N 420.556 4.369 30 40 HIEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1cccc2ccccc12 225870570 WYGPUOBYQZXICB-UHFFFAOYSA-N 407.521 4.470 30 40 HIEB CCCOc1ccc(/C=C2\SC(=Nc3ccc(OC)c([N+](=O)[O-])c3)NC2=O)cc1 408988361 HSRDTZHXAWRGIU-WQRHYEAKSA-N 413.455 4.284 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc21 12659613 ACEGAIMFIGLHTG-UNOMPAQXSA-N 414.299 4.487 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(CCO)cc3)c(C)c12 12894444 XEMVAKKGRZYGLS-UHFFFAOYSA-N 421.493 4.081 30 40 HIEB biogenic COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccc(C)cc4O)C3=O)n2)cc1 13895386 LFIQHHLLKLZGJA-CLCOLTQESA-N 421.482 4.023 30 40 HIEB CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 18067414 SVAISUDVKHCHPA-NRFANRHFSA-N 409.482 4.334 30 40 HIEB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c(C#N)c1C 20072948 AACSVICFGSAENX-WOJGMQOQSA-N 422.510 4.440 30 40 HIEB Cn1c(-c2ccco2)nn(CN(Cc2ccc(C#N)cc2)CC(F)(F)F)c1=S 32935374 JEEOMDJXSMGOQJ-UHFFFAOYSA-N 407.421 4.105 30 40 HIEB COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccccc1Br 36392006 OMIBZMUWEQLRSC-UHFFFAOYSA-N 417.303 4.147 30 40 HIEB C=CCN(C(=O)c1nc(N2CCCCC2)ncc1Cl)c1nc2c(s1)CCCC2 40140819 PCCVGQRGLNMLQO-UHFFFAOYSA-N 417.966 4.288 30 40 HIEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 48250430 DZIJQIWDDXJDTI-UHFFFAOYSA-N 419.312 4.012 30 40 HIEB Cc1cccc(C)c1/N=C1\SCCCN1C(=O)c1cccc(N2C(=O)CCC2=O)c1 97601700 WYIBPKSBKBRZTP-VHXPQNKSSA-N 421.522 4.224 30 40 HIEB N#Cc1c(Cc2ccccc2Cl)nn(Cc2ccc(Br)cc2)c1N 225843360 HCYRFJICEGUTKE-UHFFFAOYSA-N 401.695 4.392 30 40 HIEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(I)o2)S1 408752759 JYQAONVBEFPQKB-WQLSENKSSA-N 410.236 4.084 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\C=C\c2ccccc2)C1=O 409051596 FDNHVYABZPUPEL-FTHJSYOYSA-N 419.502 4.413 30 40 HIEB CCOc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409253725 VBDYLOYSGLSNSF-FBHDLOMBSA-N 421.291 4.290 30 40 HIEB C=CCOc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1 409304251 QORVYDBUFNCGGM-UHFFFAOYSA-N 412.287 4.168 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)[nH]c1C 409333822 JRHZGLJQTVWISS-NSHDSACASA-N 401.308 4.500 30 40 HIEB CCc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@@H](c4ccccc4C)CC3=O)NC2=O)cc1 1548338382 WNYBPGMGQKZYQK-MOPGFXCFSA-N 416.521 4.423 30 40 HIEB Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] 845138 WAODQXBPWOLQDT-ZDUSSCGKSA-N 415.519 4.131 30 40 HIEB CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O 4150647 GAYJSFYTBGKJJI-ZVBGSRNCSA-N 420.332 4.225 30 40 HIEB C[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(C#N)cc1 4246723 ZEQLHRQOSRQLJZ-KRWDZBQOSA-N 415.449 4.251 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)n1ncnc1N2 18200414 PMAHBORQZVEAIB-KPZWWZAWSA-N 400.360 4.306 30 40 HIEB N#Cc1c(SCC(=O)Nc2nccs2)nc(N2CCCCC2)c2c1CCCC2 20573258 DVRCAWRDNGGOLM-UHFFFAOYSA-N 413.572 4.010 30 40 HIEB Cc1nn(-c2ccc(C(=O)Nc3sccc3C#N)cc2)c(C)c1Br 31876685 TZPXLCYUASYWPX-UHFFFAOYSA-N 401.289 4.437 30 40 HIEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 58884125 UDJRHQHLDXPMLT-XSICDPOBSA-N 414.465 4.362 30 40 HIEB COc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 408850407 NDIKWCIVLFIEMC-MSXFZWOLSA-N 421.405 4.127 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O 409067133 BPNLWNWZYNYCHM-GXDHUFHOSA-N 412.305 4.469 30 40 HIEB N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 553335213 UASXKGSTNUQTGM-DEOSSOPVSA-N 404.464 4.487 30 40 HIEB N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)s1 585294368 QGTZDEURNXOYJJ-HXUWFJFHSA-N 400.511 4.972 30 40 HIEB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)c1 5433016 POAUWOIOHHPANO-WNSKOXEYSA-N 417.509 4.251 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)cc1 6691046 IMORDLUXULSIAZ-NRFANRHFSA-N 419.433 4.075 30 40 HIEB Cc1cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc(C)c1OC(F)F 7712987 HKVIBQFTFNDWGJ-BJMVGYQFSA-N 403.425 4.268 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 8335695 HQHPVQYQDZHLKI-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 13801826 PUUJKIWKEQOHGJ-CEXWTWQISA-N 407.562 4.416 30 40 HIEB COC(=O)Nc1sc(N/N=C\c2cccc([N+](=O)[O-])c2)nc1-c1cccs1 31829204 DUOZRJPROSTKTO-MFOYZWKCSA-N 403.445 4.404 30 40 HIEB C=CCc1ccc(OCC(=O)N(CC(F)(F)F)c2nc(C)cs2)c(OC)c1 40157894 AJGAHYRKTKCEKQ-UHFFFAOYSA-N 400.422 4.163 30 40 HIEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224931474 JHBRBBUZJLGGQR-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1F 513252886 PXDPFUIWDRJNDU-UHFFFAOYSA-N 402.454 4.143 30 40 HIEB C#CCOc1ccc(-c2nnc(Nc3ccc(C(=O)NC)cc3)c3ccccc23)cc1 2368606 ZWNCFGGIQHBLSX-UHFFFAOYSA-N 408.461 4.412 30 40 HIEB CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S1 3430775 YUHHHNBMJXGESQ-QGZVFWFLSA-N 424.551 4.208 30 40 HIEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)S2)cc1 4544516 YXJVPAHCLBBFFA-CAOOACKPSA-N 402.859 4.359 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845951 UPWPBQWIUBXPNY-HSZRJFAPSA-N 424.456 4.498 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 9046451 IBNZBLINXRXMLA-NRFANRHFSA-N 418.424 4.008 30 40 HIEB COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 12408548 WYJVGZPFKSOWPD-WLRWDXFRSA-N 424.482 4.128 30 40 HIEB CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 22608730 DXTHQXRFWZGLBM-GAJHUEQPSA-N 417.513 4.441 30 40 HIEB CCOc1ccccc1/N=C1\SC[C@H](C)N1C(=O)c1cc2ccccc2oc1=O 103025269 PZPGYXISBHSNST-CTAWMCJQSA-N 408.479 4.457 30 40 HIEB COc1cc(/C=N/Nc2ccccn2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408739469 WPAKYKOSMSDRAK-CIAFOILYSA-N 409.358 4.145 30 40 HIEB N#Cc1c(/C=C\c2ccccc2Cl)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O 409204484 HYLHBJSPSBRKMI-YHYXMXQVSA-N 412.232 4.280 30 40 HIEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccccc2)c(Br)c1 409341957 AUKMHCOEEJBGKK-OCKHKDLRSA-N 421.341 4.222 30 40 HIEB CCC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(=O)CC)n2c(C)nnc2S1 4518226 AIAXQFAVVLHVLR-UHFFFAOYSA-N 411.314 4.222 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(C)c(C)c1 4682469 LDQLEPPUXQNBJO-KHUIZHDGSA-N 409.555 4.004 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(OC)cc1 4814777 XDQYVTSKXSBXEI-CYBMUJFWSA-N 415.544 4.024 30 40 HIEB N#CCCN(C(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 6551102 VDFKTYYSFMZYJO-CSKARUKUSA-N 403.265 4.497 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 6880176 ZAIFJFFBRUIDGX-GOSISDBHSA-N 423.538 4.045 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)no1 8556476 ZZCRSWXTUFEWER-MRXNPFEDSA-N 400.843 4.481 30 40 HIEB COc1cc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc(OC)c1OC 12860666 UNQSZRBOAMSLPE-MFOYZWKCSA-N 412.438 4.280 30 40 HIEB biogenic CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 13989679 DKXLVAZWPPUNHH-ZDUSSCGKSA-N 417.604 4.421 30 40 HIEB Cc1ccc(/N=C2\SCCCN2C(=O)[C@@H]2COc3ccccc3O2)cc1Cl 14359224 HUIACRKRWLGKDP-BKBKCADHSA-N 402.903 4.441 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(Cl)c2)cc1 18219425 SGRHVPCUQMXMHC-QVKFZJNVSA-N 406.873 4.356 30 40 HIEB COc1ccccc1NC(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N 20151182 VVASTVAWPMRKES-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB C=CCn1c(SCCC23CC4CC(CC(C4)C2)C3)nnc1[C@H]1CCS(=O)(=O)C1 21999587 IYZIYUYMZRVXML-QQABJKMWSA-N 421.632 4.065 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2csc(-c3ccccn3)n2)C1=O 40139812 OHAQYNRXRHDHQO-ATVHPVEESA-N 419.462 4.032 30 40 HIEB C[C@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1ccccc1-c1ccccc1 62581617 VESNAUBNXXQRDN-INIZCTEOSA-N 406.463 4.338 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccccc3Cl)o2)cnn1C 101603444 QFIYJXSCRSABCS-FOKLQQMPSA-N 400.866 4.136 30 40 HIEB COc1cccc(/C=N/c2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1O 102909244 LHIWTPSIRAVAEV-YDZHTSKRSA-N 414.458 4.400 30 40 HIEB Cn1c(N/N=C/c2cc(Br)c(O)c(Br)c2)nc2ccccc21 408656381 MAHVUYBBAHXTDK-QGMBQPNBSA-N 424.096 4.250 30 40 HIEB COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OCc1ccc(C(=O)O)cc1 408967439 RKYGFLJSBCOQTC-MSXFZWOLSA-N 405.406 4.452 30 40 HIEB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O 409240008 PFFBJUQMNDGPQI-RQZCQDPDSA-N 416.264 4.357 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 4993256 RASNDGGBVHMQRS-QFIPXVFZSA-N 406.457 4.441 30 40 HIEB N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 7737873 SZWNJYSAKUYXIY-UHFFFAOYSA-N 414.505 4.323 30 40 HIEB C#CCOc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 8112831 JBEKBJATQFLGBI-SFHVURJKSA-N 401.871 4.172 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)n1 14608418 UWRYWJDODAZDHG-UHFFFAOYSA-N 408.465 4.379 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 38536808 NXKNGTACFIPGSH-HNNXBMFYSA-N 419.510 4.133 30 40 HIEB COc1cc(NC(=O)[C@@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cc(OC)c1OC 49546492 JIQOOALUTZLIJZ-GFCCVEGCSA-N 413.861 4.168 30 40 HIEB O=C(CC/C(O)=N/S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(F)cc1F 58042152 KTPLNAZANANUKN-UHFFFAOYSA-N 405.422 4.201 30 40 HIEB C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 72281280 CEWDGVSFKOMNCD-YWZLYKJASA-N 415.896 4.044 30 40 HIEB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1 72289413 LNBAKXVNRWBQSE-QFIPXVFZSA-N 406.530 4.183 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CC2)C1 72391217 VLJGASIJBMTUJP-SANMLTNESA-N 402.538 4.217 30 40 HIEB COc1ccc2[nH]cc(C(=O)/C=C3/SC(=S)N(c4ccc(C#N)cc4)C3=O)c2c1 77024413 XPZXPCRHPKKDPF-DJKKODMXSA-N 419.487 4.180 30 40 HIEB N#Cc1ccccc1CN1CCC(c2nnc3ccc(-c4cccs4)nn23)CC1 306143206 XWDYUONHBBITED-UHFFFAOYSA-N 400.511 4.104 30 40 HIEB C[C@@H](Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1)C(=O)O 409302722 FIHMHKIHNRGXQL-MRXNPFEDSA-N 419.481 4.178 30 40 HIEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c(Cl)nc2ccccn12 951617 DRLMLGIUXQVARF-AUEPDCJTSA-N 405.870 4.308 30 40 HIEB C#CC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC1CCCC1)c1ccco1 1376625 RWXNXYPNXVENNY-IBGZPJMESA-N 405.281 4.353 30 40 HIEB O=C(C(=CNc1cc2c(oc1=O)CCCC2=O)C(=O)c1ccccc1)c1ccccc1 4092028 QDWHNFAXRLMYDC-UHFFFAOYSA-N 413.429 4.220 30 40 HIEB CCOC(=O)c1c(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)sc(C)c1C 5261893 YBDWDRXHWHCSJW-UHFFFAOYSA-O 409.531 4.059 30 40 HIEB COc1ccc(Br)cc1/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 5869630 HGEWXZRYCBYHQA-FNORWQNLSA-N 407.260 4.380 30 40 HIEB C=CCn1c2ccccc2c2nnc(SCC(=O)c3ccc(NC(C)=O)cc3)nc21 9264042 MJWYACSPIJPWOJ-UHFFFAOYSA-N 417.494 4.099 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(O)c1 18197248 CUNNRERFKDZVJT-LJQANCHMSA-N 401.466 4.072 30 40 HIEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19798085 SMKJLPJLEKBJEK-NRFANRHFSA-N 410.470 4.439 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)n1ncc(C(=O)Nc3ccc(F)cc3)c1N2 44859004 MMQWYNWQXTXBGQ-OAQYLSRUSA-N 402.429 4.297 30 40 HIEB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(F)c(C(F)(F)F)c1 84350474 LYKJLRHCAFSPQI-UHFFFAOYSA-N 416.680 4.317 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 100815837 PBJXQBWHPFNLPH-FYJGNVAPSA-N 411.439 4.160 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc([N+](=O)[O-])c1O 408856352 GDQKVNKZSCBKIK-NVNXTCNLSA-N 419.846 4.162 30 40 HIEB N#Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c2)cc1 609989943 AAKMLEHBYHHYTN-FQEVSTJZSA-N 422.492 4.364 30 40 HIEB C=CCSc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CCCC3=O)s1 2493531 RUVDYSGLUFRAPQ-GFCCVEGCSA-N 403.554 4.405 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1 5446324 KKMOFVGAPJPDSA-QFIPXVFZSA-N 414.461 4.177 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(OC)c1 5501390 XWESVRXHCVMDJI-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)S2)cc1 9262897 FQAIEDXSEVPUTC-CPNJWEJPSA-N 419.462 4.076 30 40 HIEB CCOc1cc(C#N)ccc1OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 12795240 HNRJUMFITPASBE-UHFFFAOYSA-N 421.522 4.352 30 40 HIEB O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)C3CC3)[C@H]2c2ccc3ccccc3c2)c1 13275987 VRVCILYMDDKZBE-OAQYLSRUSA-N 413.429 4.417 30 40 HIEB COc1cc(Br)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1O 15016123 QHBUGRIRUXCHFM-AUWJEWJLSA-N 423.263 4.194 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1C#N 16267799 IUEPTURERJZYEF-YSURURNPSA-N 424.844 4.466 30 40 HIEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 24635136 WVORYDIJSJUXSF-CQSZACIVSA-N 402.420 4.066 30 40 HIEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCC(CCN2CCCCC2)CC1 27987576 MTELCYCNOUJWSG-UHFFFAOYSA-N 409.490 4.214 30 40 HIEB N#Cc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)cc1 78564782 PGEYFHXCHILILR-AWEZNQCLSA-N 414.391 4.031 30 40 HIEB CCCCCCCCCn1c(N/N=C(\C)CCCC)nc2c1c(=O)[nH]c(=O)n2C 100671273 LDDFPIKNRBANAA-LFVJCYFKSA-N 404.559 4.152 30 40 HIEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O[C@H](C)CC 409404041 JVRVGLSLCNVZEI-ZBERQUOHSA-N 416.905 4.057 30 40 HIEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1OC 2236591 JYEKZAHDGZALEZ-ZQRXGZGKSA-N 424.478 4.192 30 40 HIEB C=CCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc2c1=O 3301746 ILORRZWLHNEWFC-UHFFFAOYSA-N 421.309 4.015 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccccc1 3338359 LNBUQODPCRUJCM-UHFFFAOYSA-N 416.453 4.463 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccccc1 3485199 JCEIJEDAVDXOQP-FQEVSTJZSA-N 404.539 4.417 30 40 HIEB COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 6035786 AVBFBDXGLGFBDR-LBPRGKRZSA-N 411.512 4.281 30 40 HIEB N#CCCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 9644147 AWPWHVKPIHQBFY-UHFFFAOYSA-N 412.660 4.145 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1F 13719671 JZASITOVKGAPJB-LJQANCHMSA-N 424.453 4.069 30 40 HIEB CN(C)[C@H](CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 102708333 LDSKNQUMBCLNKY-UKTJGKINSA-N 422.506 4.066 30 40 HIEB FC(F)(F)Cn1ccc(/C=N/Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1 252495767 OZLRWEAMBCANFA-PGGKNCGUSA-N 414.313 4.367 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccccc3Cl)cc1)[C@H]1C=C[C@H]2CC1 408723339 RMZUOEWEKVSWAP-WXAOVAFWSA-N 420.896 4.450 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1c(C)cccc1C 408914383 WNOQFLVRXXIKEE-PUGVQKEDSA-N 410.495 4.391 30 40 HIEB COc1c(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409308866 YWEBJAHQKZNZAJ-UHFFFAOYSA-N 406.442 4.243 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 1354416 VNCPHBHYACMCOP-UHFFFAOYSA-N 405.479 4.241 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc(CC)cc2c1=O 3268768 YYQKICMPUJQGFO-UHFFFAOYSA-N 400.525 4.190 30 40 HIEB Cc1c(N/C(=C/C(=O)c2cccs2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 4598719 QIJVWFKASZGRIM-LFIBNONCSA-N 407.417 4.287 30 40 HIEB C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 8188019 MYEHRKDMTXQUTG-UHFFFAOYSA-N 422.554 4.460 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1C#N 15228768 HDEOQMNVTWYBOP-FOKLQQMPSA-N 421.413 4.031 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 16753537 BGDNHELGNRIEEC-HSZRJFAPSA-N 424.456 4.498 30 40 HIEB CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 19972687 LCQZYQVSEIUVGC-UHFFFAOYSA-N 401.890 4.448 30 40 HIEB CCc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c2c1 44167373 CWQLKXROGCPLHI-UHFFFAOYSA-N 416.500 4.341 30 40 HIEB C/C(=N\OCc1nc2c3c(C)c(C)n(-c4cccnc4)c3ncn2n1)c1ccccc1 95101260 PKZDJYYTTVAMLV-LQKURTRISA-N 411.469 4.021 30 40 HIEB C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O 408900812 VHWQNKPGSLDJAY-SILNSSARSA-N 420.465 4.097 30 40 HIEB CCOc1ccccc1C=Nn1c(CC)nc2ccc(Br)cc2c1=O 409283105 QZLYXEHVDYOMJT-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 409405166 MUAAEYLWGKOWBG-SNHGZMDHSA-N 424.859 4.199 30 40 HIEB COc1ccc([C@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 1736989 LHHIEQABTRNXFN-IEBWSBKVSA-N 420.527 4.453 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 2623761 NGUOYCVHLCCEBS-UHFFFAOYSA-N 409.902 4.387 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 4699852 XHHPEUJDTBAJFR-LTUQMTLXSA-N 405.882 4.459 30 40 HIEB Cc1ccc([S@@](=O)ONc2cccc(NO[S@](=O)c3ccc(C)cc3)c2)cc1 4964168 MTPOWXWBQQEOKL-VSGBNLITSA-N 416.524 4.436 30 40 HIEB Cc1ccc2[nH]cc(CCN3C(=O)/C(=C\C(=O)O)S/C3=N/C3CCCCC3)c2c1 5274649 ZIHOZTAYEPPKQB-DBPHPPTCSA-N 411.527 4.251 30 40 HIEB C[C@H]1S/C(=N\N=C/c2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O 5760819 PFEHTPBUONTSDE-GMVQIQQSSA-N 411.870 4.467 30 40 HIEB C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC 16702580 HDVDFZOMLWVHOJ-GFCCVEGCSA-N 407.825 4.237 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)o1 19973786 WRASDVUSARJZQA-OAQYLSRUSA-N 410.514 4.207 30 40 HIEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 27750040 XUCMVFGFYGEUSD-JOCHJYFZSA-N 418.497 4.016 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218382875 GDWCWRWHYGOYFG-JENIJYKNSA-N 424.305 4.006 30 40 HIEB CN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccc(N2CCOCC2)cc1 408929278 ULQQQPSGZLLQJY-QUUARBKMSA-N 413.930 4.410 30 40 HIEB Cc1ccc(S(=O)(=O)N2CC[C](C(C#N)(c3ccccc3)c3ccccc3)C2)cc1 1560407639 XLRSSZUOROXOQU-UHFFFAOYSA-N 415.538 4.474 30 40 HIEB Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)c1 2424362 HEARFAFSSLIGJE-OAQYLSRUSA-N 420.538 4.213 30 40 HIEB N#CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 3558739 QXQNWOOSZYVHQE-UHFFFAOYSA-N 407.253 4.090 30 40 HIEB O=C1C[C@@H](/C(O)=N/c2nnc(COc3ccc(Cl)cc3)s2)CN1C1CCCC1 4975916 BWQGTTRTIQSVAH-GFCCVEGCSA-N 420.922 4.150 30 40 HIEB C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1C 8764855 OVAZEVYAEDCTKP-UHFFFAOYSA-N 421.493 4.081 30 40 HIEB biogenic O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)NCc1ccccc1 13787295 CUNFUQJIZWHVGF-UHFFFAOYSA-O 401.317 4.012 30 40 HIEB O=C(/C=N\Nc1ccccc1)c1ccc(C(=O)/C=N/Nc2ccccc2)c([N+](=O)[O-])c1 18028586 ONPCEZRHCSYLMB-PMICNGQHSA-N 415.409 4.156 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1F 35164388 SFSLXRJEYATSSW-NRFANRHFSA-N 404.526 4.402 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@H]12 61992801 WLRDUFWIFGLONX-CFXNPWLASA-N 424.585 4.131 30 40 HIEB biogenic CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 96019750 TXYNSBYDWYQLKW-UHFFFAOYSA-N 423.561 4.026 30 40 HIEB O=C1C(Nc2cccc(Cl)c2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 100899686 GLCMUQSYLPWCII-UHFFFAOYSA-N 400.825 4.445 30 40 HIEB CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(C#N)c1C 101141557 KKNYYGUAZDFHGI-BOPFTXTBSA-N 408.483 4.132 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408728516 NUVHVCNNUXCQEU-NLNNRUDXSA-N 414.383 4.497 30 40 HIEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OC(C)C 408909374 GUISPEBVEALCPN-UKWGHVSLSA-N 423.267 4.384 30 40 HIEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CC 408929688 MPBYQQLHVHKZEP-HNPUNDFXSA-N 411.483 4.486 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 682054 BENCBYBVQRHWEO-XSFVSMFZSA-N 406.482 4.305 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)s1 1464674 RGSQAEJUZDMOSN-CQSZACIVSA-N 417.899 4.344 30 40 HIEB Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1C 5546254 IYLBJUCKKPNJMH-DAMKXSJNSA-N 418.522 4.368 30 40 HIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(Br)c1 5660656 IQGYSHORFGJAEQ-UHFFFAOYSA-N 412.312 4.289 30 40 HIEB COc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc(OC)c1OC 8821182 YNZGSWUBDPQABV-PXNMLYILSA-N 422.865 4.397 30 40 HIEB C=CCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)NC2CCCCC2)c2ccccc21 10157836 AFMOWXMDPHRFNX-RUZDIDTESA-N 417.509 4.451 30 40 HIEB Cc1cccc(NC(=O)/C(=N\Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 17201391 DDTAVQMIIPRWJN-QLYXXIJNSA-N 401.422 4.013 30 40 HIEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 20729492 CDFMHSFNYMVJAG-XMMPIXPASA-N 419.525 4.066 30 40 HIEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 101284740 NFRRPFPXYRLTRX-IBGZPJMESA-N 413.478 4.379 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1 102649875 CQIAXOFIJQJBDT-NHFXJNLRSA-N 422.843 4.496 30 40 HIEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C#N 225781346 VFQRFIPEOCMVMY-UHFFFAOYSA-N 408.498 4.433 30 40 HIEB COc1ccc2c(c1)OCc1sc(/N=C/c3cc(OC)c(OC)c(OC)c3)nc1-2 408722286 GKDQXBIJSGAJQP-LSHDLFTRSA-N 412.467 4.488 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OCC 409060735 XHLNWGHECDDSAS-ZHZULCJRSA-N 409.463 4.347 30 40 HIEB CN1C(=O)/C(=N\c2sc3c(c2C#N)CCCC3)c2cc(Br)ccc21 409109676 JEIDCRUKKFEMAP-PGMHBOJBSA-N 400.301 4.358 30 40 HIEB Cc1cccc(Cn2cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)c1 409407169 LLYWTVNKTHRJJN-CVKIWWORSA-N 409.489 4.139 30 40 HIEB O=C(O/N=C1\CCCc2c1sc1nc3n(c(=O)c21)CCCCC3)c1ccccc1 846132 CXIYBFADLSLZGN-LFVJCYFKSA-N 407.495 4.082 30 40 HIEB NC(=S)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 1098388 UUNXWCRYGHQCSY-SSDVNMTOSA-N 414.328 4.348 30 40 HIEB CCCCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 2247330 RWLFLOZDIWDAMC-AFUMVMLFSA-N 420.542 4.421 30 40 HIEB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2n1CCC#N 5267433 FJTZGIWRESBPEA-UHFFFAOYSA-N 416.909 4.493 30 40 HIEB Cc1nn(CCC#N)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 6566494 SDRYKGDZLBCAPO-HXUWFJFHSA-N 404.470 4.035 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 18037244 DRYURCTXCGSRSC-HXUWFJFHSA-N 406.388 4.138 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(C)cc2)cc1OC 18198501 QCLMRHXAOIZXPW-UZUQRXQVSA-N 416.481 4.019 30 40 HIEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cs1 24794274 SALJGICHUKKZJT-OAHLLOKOSA-N 413.499 4.229 30 40 HIEB N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)cc1 28690949 FMGBSDFKXYBAJD-UHFFFAOYSA-N 420.516 4.445 30 40 HIEB C/C(=N\OCC(=O)Nc1cccc(F)c1)c1cccc(NC(=O)c2ccccc2)c1 40119635 NSMZNIINJFYKSS-JVWAILMASA-N 405.429 4.457 30 40 HIEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Br)c(O)cc3O)S2)c1 59459431 WOKDKOHHNYTXQN-APSNUPSMSA-N 419.300 4.369 30 40 HIEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OCC 100765333 HNZMKGODLJMWRK-WOJBJXKFSA-N 409.501 4.251 30 40 HIEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 102437950 CDTKGGWEIDKPCL-SELCWUDQSA-N 417.446 4.219 30 40 HIEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(I)c1 226332387 UKLIOSYAWPMOSS-PKNBQFBNSA-N 418.230 4.060 30 40 HIEB CCOc1ccc(C(=O)O)cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 409216207 GFINQSMUVOHKBA-UHFFFAOYSA-N 409.482 4.217 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1 409324948 WUXCJFBXPKAGAN-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB C[C@@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cc(F)cc(F)c1 9011955 GOWUHNYZJLEMQE-YBTHPKLGSA-N 408.408 4.472 30 40 HIEB CSc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 19830715 MRXOWRISFJEJCW-HRAATJIYSA-N 413.539 4.099 30 40 HIEB biogenic COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)ccc1O 19851188 GUGXAIGSBZNJAW-JOCHJYFZSA-N 422.456 4.147 30 40 HIEB C=C(C)CNC(=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22373509 SYQWEDIXRONZMD-UHFFFAOYSA-N 401.526 4.122 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cccc(C)c21 32103285 MAOYIVCQNIDFTL-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB CN(CCCNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)Cc1ccccc1 40043406 JZRSNILRSLDCQA-BUHFOSPRSA-N 400.526 4.206 30 40 HIEB CNc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2Cl)cc1[N+](=O)[O-] 89395972 NVJDURRZQIDXPM-XVNBXDOJSA-N 401.850 4.023 30 40 HIEB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C#N)c(C#N)nc12 100198449 NUGUWRRJZDEYDF-RBZFPXEDSA-N 411.387 4.032 30 40 HIEB COc1ccc2cc(C#N)c(SCC(=O)Nc3sc(C)c(C)c3C#N)nc2c1 4125506 GYJXAWLEVCQKNV-UHFFFAOYSA-N 408.508 4.396 30 40 HIEB COc1ccc(N/N=C(\C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 4293485 POQDCCJBNQCXOL-ZNTNEXAZSA-N 408.479 4.086 30 40 HIEB CCSc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C1=C(CC(C)(C)CC1=O)N2 4436381 RXSFCVHHBAPICT-GOSISDBHSA-N 414.531 4.065 30 40 HIEB CCCOc1ccc(/C(C)=N\N=C2\SCC(=O)N2Cc2ccc(OC)cc2)cc1 4812320 CSSFJDGUMPDOHB-BETBSNSTSA-N 411.527 4.340 30 40 HIEB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccccc1C#N 12982714 AJCPSIYEXMFMGM-QGZVFWFLSA-N 419.506 4.192 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)n(C2CCCC2)c1C 14776695 WDTARIXTONYDRH-QGZVFWFLSA-N 409.486 4.041 30 40 HIEB COc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 19808342 ZXSQYSLSXKOQFO-IMRQLAEWSA-N 413.521 4.425 30 40 HIEB CCOC(=O)COc1c(/C=N\c2ccc(OC)cc2)cc(Br)cc1OC 100916522 AQHPGJJNJBGNOU-NHDPSOOVSA-N 422.275 4.159 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c(Br)c3)S2)cc1 408765153 KKDCXCSNSMQCDR-DHDCSXOGSA-N 405.273 4.055 30 40 HIEB COCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O 409032939 KJVLKWZHWJIGCR-UHFFFAOYSA-N 401.890 4.105 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C1=O 409140182 FSXUFTMTTOVUNA-XBUHWIKASA-N 423.307 4.104 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 409296180 SJZCKMCVORFDDD-UHFFFAOYSA-N 407.271 4.140 30 40 HIEB CCCCC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 4051731 FQCAKIAIXNXTLP-QOCHGBHMSA-N 415.833 4.233 30 40 HIEB Oc1c(Br)cc(Cl)cc1/C=N/Nc1nncc(-c2ccccc2)n1 4476788 SLSPEQOXHGNEME-UFWORHAWSA-N 404.655 4.106 30 40 HIEB CCOc1ccc(Oc2c(/C=N/n3c(C)nnc3C)c(C)nn2-c2ccccc2)cc1 6942977 FBKVQGDZGPUEOT-BUVRLJJBSA-N 416.485 4.462 30 40 HIEB C=CCN(C(=O)CCc1c(C)nc2ncnn2c1C)c1nc(-c2ccccc2)cs1 12756952 GGVDNIANKIDXPH-UHFFFAOYSA-N 418.526 4.016 30 40 HIEB O=C(NCC#Cc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 14198572 OBBLNAYUPZHFCI-UHFFFAOYSA-N 402.519 4.033 30 40 HIEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1 24749441 XQTDXVHCWQNQIX-UHFFFAOYSA-N 403.511 4.364 30 40 HIEB N#Cc1nc(-c2cccc3ccccc23)oc1NC[C@@H](c1ccco1)N1CCOCC1 27795058 NBBUNBFPLLPMFU-NRFANRHFSA-N 414.465 4.445 30 40 HIEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2cc(C)ccc21 32103214 OLYQMLNBYKLZDH-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)C(=O)N1C 57481224 HZNRQHRJHZWKNP-KYAFNBKBSA-N 411.527 4.211 30 40 HIEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 65590317 ZNHGKZAQYFUGPE-JOCHJYFZSA-N 413.502 4.379 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102401876 QTIJXPOVLWVMBK-XZIUATRESA-N 405.494 4.411 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648490 QXRXZTQJLOQSGM-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2c2ncnc3ccsc23)CC1 585100031 CSBSOZDGQTXIAJ-QHCPKHFHSA-N 417.538 4.228 30 40 HIEB N#Cc1ccc(Nc2nc([C@@H]3CCCCN3CCOCc3ccccc3)cs2)cn1 585293688 JVOJMWZNHPQRAS-QFIPXVFZSA-N 419.554 4.897 30 40 HIEB O=S(=O)(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 2796127 JEGBPEIXZBJWFY-XDHOZWIPSA-N 405.273 4.022 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1OC 4849124 KRBJKLQECYNILR-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 5477928 TVIOWEPXLOCFHM-AQTBWJFISA-N 410.520 4.106 30 40 HIEB COc1cc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1OC(F)F 6053593 DSWPLWSNBZBOAH-NISMRDLLSA-N 404.413 4.013 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 6620754 ICWMCMNEKIVHTL-NRFANRHFSA-N 409.482 4.391 30 40 HIEB CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 8996435 PLNKQLTVXBUFIA-IBGZPJMESA-N 408.410 4.148 30 40 HIEB COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)cc1 9060999 LZNXXHLNEHIVON-UHFFFAOYSA-N 405.454 4.001 30 40 HIEB COc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O 9420219 IJZRVKOQGJHHNV-XKZIYDEJSA-N 422.458 4.388 30 40 HIEB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=N/Nc2ccccc2)cc1/C=N/Nc1ccccc1 13403352 NOVQSYNGBUBTNR-JFMUQQRKSA-N 404.386 4.395 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 17161520 UBJLSMBQHXGAQQ-KRWDZBQOSA-N 410.451 4.144 30 40 HIEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccnc3)sc2c1 27987626 PVUPTRRRALAORK-GOSISDBHSA-N 417.446 4.376 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2cccc(C)c21 32102553 QWJBLBLJOFHPTD-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB C=CCNC(=S)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 35374554 SBXSBIKECSKCTN-QRVIBDJDSA-N 403.935 4.302 30 40 HIEB Cc1ccc(O)c(/N=C/c2cc(Br)c(O)c(Br)c2O)c1 101539414 WEBQEWFPRUSVHW-UBKPWBPPSA-N 401.054 4.387 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 102495215 BVDMCHIWPPTVAG-GHNGSUTGSA-N 424.478 4.378 30 40 HIEB C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(NC(=O)CCC(=O)O)cc1 103449544 PVCWXPUUSDFVKP-ZNTNEXAZSA-N 407.495 4.438 30 40 HIEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1C 408932252 VDZODCRCXLLNFJ-YZSQISJMSA-N 417.509 4.468 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC 409324964 VQNSEPIQADXSTQ-CYBMUJFWSA-N 401.308 4.376 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c(Cl)c1 409327561 VCPFVOARYLBMCP-UHFFFAOYSA-N 420.694 4.353 30 40 HIEB CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 672343 SONMJESTCBEUTI-FYJGNVAPSA-N 421.906 4.419 30 40 HIEB COC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 814720 ZFVXSSCKAWGUIQ-SECBINFHSA-N 413.282 4.428 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 2321657 VCHFDMLVDMNIGJ-RCRZSSQQSA-N 414.462 4.368 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692914 IHGMMMFUBGLSIT-UHFFFAOYSA-N 411.508 4.087 30 40 HIEB O=C1NC(c2ccccc2)=C(C(=O)C(F)(F)F)[C@@H](c2ccc(OC(F)F)cc2)N1 3190692 JRCWDBYCRVMDGX-OAHLLOKOSA-N 412.314 4.185 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 3640211 LDGXOBJNOFGEBQ-MRXNPFEDSA-N 411.310 4.373 30 40 HIEB COc1ccc(C(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4085554 CMBGPKUWBUDMMJ-AXNLMSORSA-N 413.386 4.382 30 40 HIEB Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccccn3)c3nc4ccccc4nc23)c1 8871183 GLXABDOKKHIVHN-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 9498757 BZTXGTURPHIUPO-RUZDIDTESA-N 413.477 4.176 30 40 HIEB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NC1(C#N)CCCCC1 13017710 LQJFDVPFFAYMKK-GFCCVEGCSA-N 405.524 4.244 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccs1 19848959 DYYRAFZHYKLLMU-QRQCRPRQSA-N 409.507 4.291 30 40 HIEB N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@H](C(N)=O)[C@H]1c1ccc(Cl)cc1Cl 20394661 KKLOEHIWPXZXEA-QYZOEREBSA-N 409.276 4.006 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@H]12 72324084 OZEZSCLKRONVDV-DHWOPMESSA-N 408.586 4.118 30 40 HIEB biogenic C=CCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 224509099 DRQOYLDXPQEDND-UHFFFAOYSA-N 424.497 4.137 30 40 HIEB COC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCCC2 2737717 RYOIQLXGSXRZOG-UHFFFAOYSA-N 407.307 4.185 30 40 HIEB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc1CSc1ncccn1 7006953 WYRARKGPXJUABK-WEVVVXLNSA-N 406.463 4.372 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@H]3c2ccc(C)cc2)cc1 8559766 VTGKOOHBFNCECY-JPYJTQIMSA-N 400.482 4.319 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc2cc(C)c3ccccc3n12 9730985 DHFGNHOWCJOGNI-UHFFFAOYSA-N 423.523 4.175 30 40 HIEB O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2 12391689 ABXOXHZYVKDATD-ORAYPTAESA-N 408.845 4.408 30 40 HIEB CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccsc3)c2C1 12950057 XYEVHDHICJNEPS-UHFFFAOYSA-N 420.563 4.400 30 40 HIEB COc1ccc(-c2nnc(S/C(=N/Nc3ccc(Cl)cc3)C(C)=O)n2C)cc1 13810110 VPMMPXRWLYMWBA-PTGBLXJZSA-N 415.906 4.251 30 40 HIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224811955 JUZQZNMXRQAYQD-UHFFFAOYSA-N 401.406 4.104 30 40 HIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1OC 408931056 GPBFTZHSGRTHMF-HYARGMPZSA-N 419.319 4.444 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)O)c3)NC2=O)ccc1C 408992460 SUCNGSRQBSQPQC-PXNMLYILSA-N 402.859 4.247 30 40 HIEB C=CCN(C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)c1ccccc1 409148154 YGWLPZRMIJUUBF-UHFFFAOYSA-N 406.467 4.174 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCCCC)C2=O)cc1OCC 409212729 QAOOEOMBSWRJKY-QGOAFFKASA-N 419.499 4.030 30 40 HIEB COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)c1O 1531383152 YMAJSVSZCBFTOF-ZMOGYAJESA-N 405.841 4.313 30 40 HIEB N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 3414226 IFCJBKFIVGFJLE-UHFFFAOYSA-N 405.195 4.140 30 40 HIEB CN(C)C(=S)Sc1nc(Cl)c(C#N)c(SC(=S)N(C)C)c1Cl 3770987 JXDUSQODLLAHBX-UHFFFAOYSA-N 411.430 4.137 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c(OC)c1 9126516 ZMSDBPZFJSNWIG-UHFFFAOYSA-N 408.498 4.067 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1 28629520 AXWOCZBERRGNBA-FQEVSTJZSA-N 400.434 4.182 30 40 HIEB Cn1nc(C(F)(F)F)cc1C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 97944409 KBDXVPFBLUMBEQ-UHFFFAOYSA-N 409.183 4.266 30 40 HIEB CCOC(=O)c1csc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1C#N 101141491 XMMSYZDCFRQHMN-LICLKQGHSA-N 408.483 4.132 30 40 HIEB Fc1ccc(/C=N\N=C(N/N=C\c2ccc(F)cc2)N/N=C/c2ccc(F)cc2)cc1 104392267 ZHSVKJZFTZGSQU-VFDNOFHPSA-N 422.414 4.041 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1 107687883 VNUAVLNLGDAJNP-FSJBWODESA-N 405.951 4.444 30 40 HIEB CCOc1cc2c(cc1/C=C1/SC(=Nc3cccc(Cl)c3)NC1=O)OCO2 409105424 JGCSAOLSVNVUMS-REZTVBANSA-N 402.859 4.359 30 40 HIEB COc1cc(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)c1OCC(C)(C)C 409353617 OIWHADTYXKMILJ-UHFFFAOYSA-N 415.877 4.071 30 40 HIEB CCOc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 915055 KKEPHVDNURIWJD-QFIPXVFZSA-N 404.470 4.134 30 40 HIEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1c(F)cccc1Cl 12874234 IWTGJNQZJWLESJ-MRXNPFEDSA-N 424.929 4.005 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)C2CC2)C1 19015671 UHCVGDONXZSCEC-AREMUKBSSA-N 402.538 4.217 30 40 HIEB C=CCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1 23117486 HXNXVWFOWMDJMZ-UHFFFAOYSA-N 400.533 4.272 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 409213953 UQIIVJSWLMPFKD-SLHJDRLVSA-N 406.935 4.450 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccccc1 409222015 AYQQYBHJJXHZHS-XSFVSMFZSA-N 406.482 4.305 30 40 HIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc(O)cc2)CC(=O)O3)C1=O 1081801673 JGLIHGSIUBTIAW-AGKWGAAGSA-N 414.413 4.458 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 2623209 JYOJOKPSHOEMLP-UHFFFAOYSA-N 415.478 4.189 30 40 HIEB Cc1nc(SCc2ccc(C#N)cc2)c(C#N)c(-c2ccco2)c1C(=O)N(C)C 3416943 ZETXIIMTBYHDCZ-UHFFFAOYSA-N 402.479 4.387 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c(OC)c1 4849091 ULIADOGCJLIHJJ-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CSc1nc(NCCOC(=O)c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 5607440 YRHJNCRLHJFAHQ-UHFFFAOYSA-N 404.495 4.315 30 40 HIEB N#C[C@H](c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl 6662729 ZNAMNHGEHUMSTG-AWEZNQCLSA-N 410.861 4.349 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(CC)cc1 8086184 BRRFLVCVSCJFTH-UHFFFAOYSA-N 422.554 4.357 30 40 HIEB CC(=O)/C(=C\NC(=S)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C 17222752 FIZXZIYYINTYGS-LFIBNONCSA-N 421.444 4.412 30 40 HIEB COc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1 30713787 HKCXBBVMGLCVKI-DIBXZPPDSA-N 415.537 4.426 30 40 HIEB COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccc(Cl)cc1 33711482 CMUIEXKKCCLQKZ-UKWGHVSLSA-N 406.916 4.122 30 40 HIEB O=C(O)C(=O)/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 96930278 QYZSLBJOLYHOIK-WQRHYEAKSA-N 417.852 4.327 30 40 HIEB COc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)N(C)C1=O 97406801 NSPPTAWOGWRBCU-PMDYYOJLSA-N 402.859 4.281 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102649398 UQLLZIZUNJSCIN-BCHZJAEDSA-N 415.848 4.080 30 40 HIEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 113833638 OIPMJTBTMYCEKE-QNGOZBTKSA-N 412.445 4.067 30 40 HIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OC(C)C 408928923 GBPCMATZHXTBEK-DJGRXSLVSA-N 413.337 4.167 30 40 HIEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OCc1ccccc1 409075524 RIPDZYIBDKBXQQ-UHFFFAOYSA-N 410.466 4.122 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c([N+](=O)[O-])c1 409212403 LXDSXMUPAJQVKW-SOFYXZRVSA-N 400.134 4.164 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c(OC)c1 524729310 NOUXRSGXVDVKBF-HSGPEQJXSA-N 418.401 4.354 30 40 HIEB biogenic COc1ccc(OC)c(N/C(=N/C(=O)c2cccc(C)c2)Nc2nc(C)cc(C)n2)c1 2225495 AJLYPGNBYIZLTJ-UHFFFAOYSA-N 419.485 4.139 30 40 HIEB CCCCCCOc1ccc(OCCOc2ccccc2/C=N/NC(N)=S)cc1 4512511 OQQRPXYALZSWSH-JJIBRWJFSA-N 415.559 4.271 30 40 HIEB CCOC(=O)Cc1csc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1 4892942 HXJRZXVBCQGUIO-WOJGMQOQSA-N 416.568 4.221 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=O)c3ccccc32)cc1C 5546968 QUZVKUWESFWAQD-PGAZUGQPSA-N 407.469 4.053 30 40 HIEB N#CCN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 6588995 FWOZLQRZPAIBKF-UHFFFAOYSA-N 402.401 4.297 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 6780858 BXPCYVVXQSMASF-OAQYLSRUSA-N 416.433 4.018 30 40 HIEB Cc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 8193886 ZUDXMHBGYMUJLZ-LJQANCHMSA-N 423.538 4.106 30 40 HIEB COc1cccc(NC(=S)NCCNc2nc3c(C)c(C)ccc3cc2C#N)c1 35291962 VHEQNPIOYUAXCJ-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1ccccc1N1CCN(C[C@@H](S)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 57600762 RLRPQSHQFUGEOP-VAMGGRTRSA-N 406.636 4.347 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102401944 CWLIPUQOONQPCG-VJGQLIPXSA-N 411.523 4.472 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102510496 DQOGWNUYDDCLBS-JBCNATCCSA-N 402.450 4.480 30 40 HIEB Cn1cnnc1Sc1ccc(/C=N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-] 103390022 WFEFMNULPMXFAM-QHONHCCBSA-N 412.519 4.496 30 40 HIEB O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 104130935 ICIZWYZDRGSFRJ-MOBKVPTQSA-N 401.437 4.490 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 137828218 BWVRVPKSJXZVTD-PUWNLGMVSA-N 401.249 4.394 30 40 HIEB C=CCOc1ccc(Br)cc1/C=C(\Sc1n[nH]c(CCC)n1)C(=O)O 408632213 OTVORCZPHHWIMV-UVTDQMKNSA-N 424.320 4.302 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 409144359 JOYNJTXHOBUJAS-HYBGDYFVSA-N 406.869 4.060 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 4905474 MJVABTYRTIKWSA-GOSISDBHSA-N 403.475 4.281 30 40 HIEB COc1ccc(-c2nc3c4c(ncn3n2)OC(C)=C(C(C)=O)[C@@H]4c2ccccc2)cc1 5350594 YLSPLKWMPHORTD-FQEVSTJZSA-N 412.449 4.187 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 6209311 SFDXHHMVXDNOPN-LCYFTJDESA-N 414.346 4.244 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 8914585 LEIBYBVTXKLSPS-OAQYLSRUSA-N 416.433 4.331 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)c(OC)c1 13127047 MBXMRLIGVHEUNK-WNSKOXEYSA-N 416.481 4.019 30 40 HIEB N#Cc1ccccc1Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 16488425 JRIDRPVKVMICBQ-UCQKPKSFSA-N 418.456 4.023 30 40 HIEB C=C1C[C@]23CC[C@H]4[C@](C)(COC(=O)CCC(=O)O)[C@@H](O)CC[C@]4(C)[C@H]2CC[C@H]1C3 17005169 QRCWTENDAKYOOH-UODVBWDXSA-N 404.547 4.334 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)n[nH]c1=S 24839171 WNGRAEIYBUAWKS-UHFFFAOYSA-N 409.899 4.219 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)c1ccccc1F 68738173 OIISTEYDDMCLDM-UFFVCSGVSA-N 404.349 4.390 30 40 HIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(I)c1 96564216 QJLBDKQRTVEZHT-GXDHUFHOSA-N 406.248 4.183 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 102927877 MXALZZOWKTUPDV-YDJIHCHBSA-N 407.397 4.049 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 408586051 BBMMSFZRPWMERB-HYBGDYFVSA-N 407.901 4.279 30 40 HIEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)o2)c1 798062 DFKADHVAYPVMJK-NRFANRHFSA-N 419.481 4.070 30 40 HIEB CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 801590 QCOKIUCGLKMJNG-HXUWFJFHSA-N 420.490 4.320 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2617651 SLEXJLXPZOXZKZ-QFIPXVFZSA-N 405.527 4.081 30 40 HIEB C/C(=N/OCc1nc2c3c(C)c(C)n(-c4ccccn4)c3ncn2n1)c1ccccc1 6719172 DCLMBBPBNVULQL-NTFVMDSBSA-N 411.469 4.021 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)COc4ccccc43)c2C#N)C1 8390923 POXFXFZIOAHXMN-CQSZACIVSA-N 423.538 4.135 30 40 HIEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2nncc2C(C)(C)C)cc1 8691240 QIRQRJHDLZZAPU-LPYMAVHISA-N 423.433 4.217 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2Cl)cc1 9088377 HPLNFGDLASHBJG-LHSJRXKWSA-N 406.873 4.356 30 40 HIEB CCOc1ccc2c(c1)s/c(=N\N=C\c1cc(Br)ccc1O)n2C 9519994 UYVPVWBTDAJZLX-HCDAPJTOSA-N 406.305 4.041 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C(=O)O)cc1 16929195 CNBDPUICYFJNEU-UVOXWLTBSA-N 407.495 4.241 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc(OCC)c1O 19531816 UKHDKNYGRKQJHB-AZUAARDMSA-N 404.514 4.132 30 40 HIEB C/C(=N\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 98053678 OKOKHCHLCNISMZ-RCCKNPSSSA-N 410.455 4.232 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102646789 WDALIJQOXKFOQV-NHFXJNLRSA-N 422.843 4.496 30 40 HIEB C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 102735405 MRLZDWLIWGYDFI-IUOUCKIRSA-N 415.445 4.225 30 40 HIEB CCOc1cc(N(C)C)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385595 YSPHYVGVQGVCIH-YZSQISJMSA-N 412.493 4.410 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 784819 SNJZNUDCWDYPLN-UHFFFAOYSA-N 403.504 4.131 30 40 HIEB N#CCCn1cc(/C=C/C(=O)OCC(=O)c2ccccc2)c(-c2ccc(F)cc2)n1 2628667 MZLKXSJKNUJUBT-FMIVXFBMSA-N 403.413 4.042 30 40 HIEB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C#N)cc1 3659329 UWGRYFHYUHCTGQ-WSDLNYQXSA-N 414.440 4.198 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 7792336 ARLXXABVIOBBKH-QFIPXVFZSA-N 414.889 4.130 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 9506715 VUJNHVBPDGILGB-UHFFFAOYSA-N 418.503 4.254 30 40 HIEB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2c(C#N)cnn2C)cc1 14227504 FESIDQFXOZYPMH-UHFFFAOYSA-N 417.444 4.159 30 40 HIEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Br)c1OCC 20761599 MGOXPBHONGWPGD-CIAFOILYSA-N 407.308 4.379 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 40098921 VKTFDJZADGXCRP-UHFFFAOYSA-N 410.521 4.499 30 40 HIEB C=CCn1c(Cc2ccccc2CC)nnc1SCC(=O)Nc1ccc(OC)cc1 41124436 ZAOUMTHRDVATSN-UHFFFAOYSA-N 422.554 4.357 30 40 HIEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 103834799 HZIPTYPBZWWTOD-DVCONVQISA-N 417.918 4.247 30 40 HIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2cccc(O)c2)CC(=O)O3)C1=O 1081801523 JKWDWVGZUYPALT-IUOVYFEOSA-N 414.413 4.458 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F 1438558 IMICYJXCLONDQP-IQMFZBJNSA-N 421.468 4.369 30 40 HIEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O 2062633 ZZLAGWORHMFDPQ-KOEQRZSOSA-N 417.465 4.478 30 40 HIEB C=CCNC(=S)NN=Cc1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 4893598 BKPXPVFEMJGJDV-UHFFFAOYSA-N 417.962 4.399 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2C(=O)NCC(C)C)nc2ccccc21 5619125 QIJGJWOKNHEZKC-UHFFFAOYSA-N 422.554 4.339 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 6454931 HVWNIMIKOQIVKV-KRWDZBQOSA-N 422.554 4.033 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 6595122 SSDYLJJSSOACJC-BJMVGYQFSA-N 416.817 4.008 30 40 HIEB CCOc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7462590 OQLMZYABPRUYME-QGZVFWFLSA-N 421.522 4.352 30 40 HIEB C=CCN(C(=O)CCNC(=O)c1ccccc1Cl)c1nc2c(s1)CCCC2 15969085 HVNQMUCJEQFMJH-UHFFFAOYSA-N 403.935 4.014 30 40 HIEB N#Cc1ccc(NC(=O)Nc2cccn(Cc3ccccc3Br)c2=O)cc1 1354153 MILSVTRSUWTAFU-UHFFFAOYSA-N 423.270 4.175 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC)c(OC)c1 4943526 LYEPVANKASQMGA-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 4944150 AHRYQIZAEZKQLU-RCDICMHDSA-N 405.473 4.382 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 5445716 DYCJAJLLXVAAST-KRWDZBQOSA-N 410.426 4.074 30 40 HIEB N#Cc1ccc(OC[C@@H](O)CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6949597 GVEICCSPGYMWGR-XUZZJYLKSA-N 411.505 4.201 30 40 HIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 9210643 MDQNTWSPJZSOSR-MGPUTAFESA-N 424.501 4.044 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Cl)ccc2N)n(C2CCCC2)c1C 11673104 MFIXFMGOGRCKKC-UHFFFAOYSA-N 414.893 4.123 30 40 HIEB C=CCn1c(N2CCC(C(=O)Nc3nnc(C(C)C)s3)CC2)nc2ccccc21 12116495 QNVAVBOBVSBHSU-UHFFFAOYSA-N 410.547 4.052 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(N(C)C)cc2)cc1 16742034 FRJOQWYPEVGOHE-QFIPXVFZSA-N 418.493 4.082 30 40 HIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)C(C)C)cc1)=C2 62001632 XODSXOFDYASMLW-UHFFFAOYSA-N 408.498 4.010 30 40 HIEB biogenic C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)n2)n[nH]c1=S 69928872 BTJCKODXXYNEDZ-UONOGXRCSA-N 415.519 4.055 30 40 HIEB O=[N+]([O-])c1ccc2c(c1)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-2 104210059 UAGMGELNJQFCNC-XUTLUUPISA-N 405.326 4.256 30 40 HIEB CCCCCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc12 2256550 GIOXEZHISCCLLP-JFLMPSFJSA-N 414.513 4.277 30 40 HIEB COc1ccc(-c2nnc(S)n2/N=C\c2cc(Br)ccc2F)cc1 4754984 NOOZGIZPGADGKB-OCKHKDLRSA-N 407.268 4.026 30 40 HIEB COc1ccc2nc(SCC(=O)Nc3sc(C)c(C)c3C#N)c(C#N)cc2c1 4857477 VWSSXGYFAZTVKW-UHFFFAOYSA-N 408.508 4.396 30 40 HIEB O=S(=O)(N/C(=N/c1ccccc1OC(F)F)c1ccccc1)c1ccccc1 4884937 ZMNUUUILOMQVGT-UHFFFAOYSA-N 402.422 4.345 30 40 HIEB COc1cc(/C=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC#N 8112900 JEVNFOYIGXCNKH-SRZZPIQSSA-N 409.427 4.075 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1O 9615061 UFCMASOQKFNXOJ-UHFFFAOYSA-N 414.918 4.145 30 40 HIEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cn(C)nc1-c1ccc2c(c1)OCCCO2 9683034 PVDVKUJPDKAVSV-QHCPKHFHSA-N 416.481 4.001 30 40 HIEB N#CC1(NC(=O)COC(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CCCCCC1 24769787 SBEQIDHDBMMWLB-SDNWHVSQSA-N 423.557 4.356 30 40 HIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)c1 59248323 YAPDFXLSXPRQCU-MFOYZWKCSA-N 416.886 4.312 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N\Nc4ccc(C)cc4)C3=O)n2)cc1 100507574 CMLIKBYTNLVJKO-LYBHJNIJSA-N 405.483 4.318 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102861947 LMXMEZMBNVWMQZ-SQUHQTGPSA-N 403.887 4.002 30 40 HIEB C=CCc1cc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc(OC)c1O 139485727 YTWMVKAQIIWRMP-YVLHZVERSA-N 414.914 4.041 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218385891 LTEYZBROVCCMIC-JENIJYKNSA-N 424.305 4.006 30 40 HIEB CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=Nc1ccc(Cl)cc1 409010868 FURBGLJZRSURFB-QHOMEFQRSA-N 403.891 4.003 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\C=C\c2ccccc2)C1=O 409054344 VBBKWBORFWVAHL-PQGFFOKXSA-N 405.475 4.104 30 40 HIEB CCN1C(=O)/C(=C\c2ccccc2OCC(=O)OC)S/C1=N/c1ccc(F)cc1 409241391 XCUZVSVUVDMUIV-WNEPPRNQSA-N 414.458 4.001 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 2449414 JRYBMZFYQKBXTE-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 4869531 JPMPSKNWFQRPPE-OQKWZONESA-N 419.550 4.352 30 40 HIEB Cc1ccc(C(=O)c2c(NC(=O)C[n+]3ccccc3)sc3c2CCCCC3)cc1 4889471 ZVCUTWZSIOAXJT-UHFFFAOYSA-O 405.543 4.483 30 40 HIEB COc1ccccc1NC(=O)c1ccc(NC(=O)CO/N=C/c2ccccc2C)cc1 5406487 AWBWMXXSCYNPRS-MFKUBSTISA-N 417.465 4.245 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@@H]3c2ccc(C(C)C)cc2)cc1 9660447 RXMCLRYAOYCCAH-FDDCHVKYSA-N 415.497 4.221 30 40 HIEB Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 10992627 QOSCUQMYZRBOIM-MRXNPFEDSA-N 424.460 4.390 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)N(C)C 16404806 LLVBNTSCNKDLIA-UKTHLTGXSA-N 407.510 4.327 30 40 HIEB CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc(OCc2ccccc2)cc1 27525720 FSGIJFXUWAMXQH-OEAKJJBVSA-N 408.527 4.119 30 40 HIEB COc1ccc([C@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 48342352 CCJCQDZWVOJMQP-XZOQPEGZSA-N 400.434 4.111 30 40 HIEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N 59433732 XMSAYDCLDDKNOV-WYMPLXKRSA-N 418.457 4.170 30 40 HIEB C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C#Cc1ccccc1)c1ccccc1 95951569 BOFHBYNHTDUFGB-ROSOWXQZSA-N 420.553 4.129 30 40 HIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cccc(OC)c3)C(=O)N2CC)cc1 101514522 FDOYIEOWLLFFGR-UVOXWLTBSA-N 410.495 4.496 30 40 HIEB CC1=CC(=O)/C(=C2/C[C@@H](c3ccc(OC(F)F)cc3)N(c3ccccc3)N2)C(=O)O1 227173315 GGJKWMBIRGUDHJ-ONZPZFSWSA-N 412.392 4.028 30 40 HIEB C#CCOc1ccc(C[C@@H]2S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1 409147565 XJCNBHRVZSRVQK-ZGBROZEESA-N 408.523 4.291 30 40 HIEB CCCc1ccc(CN2CCCC[C@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)o1 585294967 WOOFJXHJGKSMQJ-QFIPXVFZSA-N 402.502 4.760 30 40 HIEB N#CC1(C#N)[C@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 1106678 FWYZPEJXKRUYAS-VXNXHJTFSA-N 402.457 4.366 30 40 HIEB C=CCSc1nnc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)s1 9169612 WXYCMZRYUWMPRU-AWEZNQCLSA-N 424.979 4.253 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccc(F)cc2)cc1 12391088 IALFTBQCBIGBPX-VLIAUNLRSA-N 406.417 4.197 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1Cl 12881864 ASZCQFHYMDTWEA-UHFFFAOYSA-N 400.837 4.344 30 40 HIEB COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccccc2)cc1 13575169 FOLOLNAGSIZBFH-FQEVSTJZSA-N 424.460 4.331 30 40 HIEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(N(CC)CC)cc1 26770625 UMHUMGMCOPQTBX-UHFFFAOYSA-N 424.541 4.226 30 40 HIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 46668048 CXHBUPFGBAXNEE-BTYIYWSLSA-N 401.422 4.221 30 40 HIEB CC(C)=NNc1nc2c(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)ccc2s1 72230162 LSHGKUKDUIUVNJ-UHFFFAOYSA-N 407.971 4.452 30 40 HIEB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)c1 224134230 KRWOJDPOBBXMTQ-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB Cc1nnc(S)n1/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408870832 WYYGPPWHFPLVFV-WSDLNYQXSA-N 419.466 4.398 30 40 HIEB C[C@@H]1CCCCN1c1nc(=Nc2ccccc2F)nc(N/N=C/c2cccc(F)c2)[nH]1 408975445 KJZMOVLCTVKAJY-PVLQNKMRSA-N 423.471 4.140 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 2055314 VYVJVUQEKKDZNN-HXUWFJFHSA-N 411.498 4.030 30 40 HIEB Cc1ccc(C)c(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 2441039 XTAZAYUJTFQPEA-OAQYLSRUSA-N 420.538 4.276 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N3)cc1 4279867 GUGOUPIUCXFRNT-NRFANRHFSA-N 416.481 4.317 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1)c1cc2ccccc2o1 6080247 KCQYNABLZLRVTR-OAQYLSRUSA-N 411.417 4.001 30 40 HIEB CC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc(C)nc1-c1ccccc1 8442374 LTYFSCVKDAMLII-UHFFFAOYSA-N 423.288 4.426 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C(C)(C)C 13689406 QPWRWNMHMDXVBC-UHFFFAOYSA-N 404.532 4.117 30 40 HIEB C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1 14117796 IKZQOWZTMBPUCD-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 16946444 LBCWZIMQKJWBFB-OAQYLSRUSA-N 403.434 4.375 30 40 HIEB COc1ccc(CCN(C)CCC[C@H](C#N)c2ccc(OC)c(OC)c2)cc1OC 22057896 FODDOFHUTVJMSE-HXUWFJFHSA-N 412.530 4.283 30 40 HIEB in-vitro O=C1C(Cl)=C(Nc2ccc(N3CCOCC3)c(Cl)c2)C(=O)c2ccccc21 40545273 YQSBBLJOCHSTFO-UHFFFAOYSA-N 403.265 4.118 30 40 HIEB C[C@@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1ccccc1-c1ccccc1 62581619 VESNAUBNXXQRDN-MRXNPFEDSA-N 406.463 4.338 30 40 HIEB Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3cccc4c3OCCCO4)c2)cc1 84160452 SUNQISGIRPLCBC-DHZHZOJOSA-N 423.490 4.091 30 40 HIEB CCCCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O 97954405 MJGOFFPWBLZOHS-UHFFFAOYSA-N 423.561 4.107 30 40 HIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 225821275 YCNSNQVFTZJTIG-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1O 409237127 JFWJXCMNVVOATI-VIZOYTHASA-N 419.846 4.162 30 40 HIEB C[C@H]1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2N1C(=O)c1c(F)cccc1F 1385978 INXUEIYPACZFLN-HNNXBMFYSA-N 417.415 4.419 30 40 HIEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1 3303690 QFODNKFPCXTCDB-OGBFJMLUSA-N 413.905 4.092 30 40 HIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 4331388 KWNYIZSMXZYAJE-INIZCTEOSA-N 409.559 4.047 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2F)cc1 12389374 JSILQWHOQBESMV-RNODOKPDSA-N 406.417 4.197 30 40 HIEB Cc1cc(N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)nc2ccc(Cl)cc12 23224101 RLDYVZIXPXDWTA-HAVVHWLPSA-N 403.866 4.329 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1C 33617814 AFICYTGXFJDHTE-KRWDZBQOSA-N 420.538 4.239 30 40 HIEB C[C@@H](Oc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)O 33746723 XPXQYTMSYFEEPC-WIWNTQSISA-N 402.859 4.084 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 104121689 SJHZGIUEGFKNET-NHFXJNLRSA-N 418.380 4.360 30 40 HIEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OC 408932054 SNFBGCQTEJBUJF-HYARGMPZSA-N 419.319 4.444 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)SC1=Nc1ccccc1 409237542 VEQCJDYMHKULPM-IRZHRRCCSA-N 423.538 4.156 30 40 HIEB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585294947 WGRFLGDQWJQKNL-QFIPXVFZSA-N 416.533 4.218 30 40 HIEB CC(=O)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083808018 UVASKGWIRPKPDS-UHFFFAOYSA-N 402.175 4.424 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 1060103 SVIRSPJEQHMQSZ-YCIYHOANSA-N 413.860 4.090 30 40 HIEB biogenic COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1cccc(Br)c1 2790130 FMJZHGPDNNHPCS-AWQFTUOYSA-N 419.304 4.173 30 40 HIEB Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 3263216 MRYOLKGZLXFXRW-UHFFFAOYSA-N 424.453 4.164 30 40 HIEB CC(C)(C)c1ccc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 3396636 MAGQUSVVONSLMT-WUKOTQDVSA-N 415.440 4.387 30 40 HIEB O=C(O)c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1 4135983 UPXIZEXESVPPEC-REZTVBANSA-N 414.053 4.061 30 40 HIEB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 4339875 ORFHGVNAFPIXFR-UHFFFAOYSA-N 412.530 4.268 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3C)CC2)=NC1=O 5784728 QREKHRUICBPWOQ-OQKWZONESA-N 419.550 4.352 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 5886842 CCXKVLRPKUXCMA-UHFFFAOYSA-N 407.480 4.191 30 40 HIEB Cc1nnc(Sc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[N+](=O)[O-])s1 6223808 PPURCYQDNCMSEO-UHFFFAOYSA-N 409.448 4.369 30 40 HIEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2sc(CC)cc2c1=O 6619293 VDZSRVOMVGOPIV-UHFFFAOYSA-N 400.525 4.285 30 40 HIEB C=CCNc1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cs1 7990059 QFGUVGVUGMLACC-UHFFFAOYSA-N 415.540 4.309 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc21 9171205 ZZIBJUVWYRXAOW-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1ccc(C)cc1 9569623 TYKPQBTZOBAFOS-QGZVFWFLSA-N 411.527 4.141 30 40 HIEB O=C1/C(=C/c2cccc(F)c2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21 13656548 FPOTYJKMKKFGHY-JAIQZWGSSA-N 414.385 4.349 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC)cc2)cc1 16741465 ZSACHGBRWFHONO-NRFANRHFSA-N 407.466 4.248 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1 20663818 ACCVNZQZECEMDO-LJQANCHMSA-N 410.495 4.024 30 40 HIEB O=C(O)c1cc(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl 35188786 ZOTIDUJKIOHJCQ-AWQFTUOYSA-N 401.762 4.358 30 40 HIEB COc1ccc2nc(NCCNC(=S)Nc3cccc(Cl)c3)c(C#N)cc2c1 35312350 VQSPPHBVOCXNMT-UHFFFAOYSA-N 411.918 4.167 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@@H]12 59415311 XQXNTSRSLXYYTI-IUSCBXDMSA-N 408.586 4.431 30 40 HIEB biogenic COc1cccc(Nc2nc(-n3nc(C)cc3C)c3c(c2C#N)CC(C)(C)OC3)c1 95475010 RKOJEMLGWJFJGS-UHFFFAOYSA-N 403.486 4.359 30 40 HIEB CCCCN[C@H](c1ccc(/C=N\C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 104076960 PSSZBBCGAQGXBY-XYIDMMFISA-N 409.785 4.040 30 40 HIEB CC(C)c1c(C#N)c(N)nc2sc(C(=O)Nc3cccc4ncccc34)c(N)c12 215673681 AWBHJPXXKKYWHA-UHFFFAOYSA-N 402.483 4.256 30 40 HIEB C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2cccc(C#N)c2)cc1 611821250 ZPAMVJZVHCZGMJ-INIZCTEOSA-N 410.477 4.394 30 40 HIEB C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 2661791 AVHWEYRMBWZDNQ-UHFFFAOYSA-N 412.481 4.199 30 40 HIEB C=CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 3425967 PHRWIEXXAKEJOC-UHFFFAOYSA-N 422.506 4.294 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 6263270 FTKMHSZGGQWSMI-OAQYLSRUSA-N 409.482 4.043 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OC)cc1 6732463 DKQGYYFKYVRXMI-NRFANRHFSA-N 421.449 4.056 30 40 HIEB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O 9110728 PFPANEZRZRTWNI-NRFANRHFSA-N 401.418 4.184 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc21 9171199 VTOXBGCUVYEMGA-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB N#CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(F)cc1 9953735 IRQVUAMEEYLLIP-UHFFFAOYSA-N 421.501 4.323 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1nc(C(F)(F)F)nc1N2 19960048 BCORQVMMTVMBEE-GTNSWQLSSA-N 418.350 4.445 30 40 HIEB CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccc(N2CCOCC2)cc1 101500796 DACZKJYEFVVKQZ-SXZIKPQKSA-N 418.522 4.238 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 102799064 VNVHSDQGIMZGKY-IDTYTIONSA-N 412.294 4.123 30 40 HIEB N#CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408749323 FSHFPLKLUMEZGB-UHFFFAOYSA-N 422.535 4.400 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408779624 ZNKPZGNSRNCKOS-LPYMAVHISA-N 401.919 4.368 30 40 HIEB Cc1cccc(COc2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2Cl)c1 409403680 IXYJIUJXJNWZAO-YHDSQAASSA-N 420.896 4.368 30 40 HIEB N#Cc1c(NC(=O)c2ccc(I)cc2)sc2c1CCCC2 1013809 STDGXSZYCSXQFE-UHFFFAOYSA-N 408.264 4.355 30 40 HIEB CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(I)cc1 2286936 LTVKWOBGXOEHDB-YBEGLDIGSA-N 421.259 4.474 30 40 HIEB CN(C(=O)C(F)(F)F)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 3192116 XWTLDYJOXOKVAQ-LBPRGKRZSA-N 403.385 4.311 30 40 HIEB CC(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 5799207 REDNTXZNCKOWJM-KRWDZBQOSA-N 400.272 4.438 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OCC 6554192 SQJCWADKFLONDP-XDHOZWIPSA-N 406.438 4.154 30 40 HIEB C=CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccc(Cl)cc1 7834291 AQLVBUYXXHDIMM-UHFFFAOYSA-N 418.975 4.297 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9271444 VWIPZACKCZIOQI-HXUWFJFHSA-N 416.389 4.083 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)cc1 17245918 CGAQMPSMRPVFTK-BKUYFWCQSA-N 407.466 4.027 30 40 HIEB biogenic C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(Cl)c21 32092264 APJPSBHROBKIAX-QHCPKHFHSA-N 416.868 4.092 30 40 HIEB C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 102724740 OVHBEHWVZLGXJN-HKUYNNGSSA-N 400.482 4.217 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 226335077 AKYUSADFGHNVKO-MDZDMXLPSA-N 401.256 4.226 30 40 HIEB COc1cc(Br)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1O 408807558 DGTCXBUNNRKUGY-NVNXTCNLSA-N 419.300 4.363 30 40 HIEB COc1cc(/C=N/n2cnnc2)ccc1OCCSc1cccc2ccccc12 4508484 RRGSUKAIDFCLEL-AFUMVMLFSA-N 404.495 4.493 30 40 HIEB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313218 GHGLYXAVQIMBGP-ZDUSSCGKSA-N 415.588 4.326 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)c1 9423625 UUPBAYSVSDRKIV-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCC[C@H](C(=O)O)C2)n1 12016259 AIZDSTOIEKNCAK-HNNXBMFYSA-N 410.543 4.336 30 40 HIEB CCOc1ccc(OCCN(c2ccccc2)S(=O)(=O)c2cccc(C#N)c2)cc1 12753811 QTUXTICWOPRRAR-UHFFFAOYSA-N 422.506 4.231 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 31206294 NCLMXDQZVBDJRT-UHFFFAOYSA-N 403.276 4.354 30 40 HIEB C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 52411132 UABDZMFEFYGJLN-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CCOc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCCCO4)cc1 101371217 DOFZPKZRVVDDJC-UHFFFAOYSA-N 413.477 4.289 30 40 HIEB COc1ccccc1[C@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCc1ccccc1 103933895 TWISTNAYROQKOD-FEYWKWKCSA-N 413.473 4.360 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)n1-c1cccc(Cl)c1 408589576 LYSJTUCJVHTHRV-ZCMLJCOHSA-N 419.912 4.135 30 40 HIEB Cc1ccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1[N+](=O)[O-] 408812396 OPYILNCRRVDCBL-KSEXSDGBSA-N 421.409 4.458 30 40 HIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1NC(=O)c1ccccc1 409201338 LPMLULJARXSPHT-KOEQRZSOSA-N 402.498 4.076 30 40 HIEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCOCC2)cc1 409273910 AAEUQMRBEUILAQ-UHFFFAOYSA-N 416.525 4.163 30 40 HIEB C[C@H](Oc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1)C(=O)O 409302721 FIHMHKIHNRGXQL-INIZCTEOSA-N 419.481 4.178 30 40 HIEB C=CCc1cc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc(OC)c1OC 541114977 HRQALQOAQCTCQB-MRXNPFEDSA-N 423.435 4.125 30 40 HIEB CCCCn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)c(C)n1 585294584 SDTUNDQYPAEWQH-HXUWFJFHSA-N 421.574 4.796 30 40 HIEB N#Cc1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2 708298 ZVEZXTRNKOTBCA-UHFFFAOYSA-N 408.504 4.194 30 40 HIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(Cl)c1 2429144 LVXYAIQLHSQSBJ-BRJLIKDPSA-N 414.856 4.016 30 40 HIEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)n1-c1ccc(F)cc1 3248359 CBGMCSIYJURIRQ-UHFFFAOYSA-N 419.456 4.337 30 40 HIEB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 4330553 SXVWFWWMFAEIRI-UHFFFAOYSA-N 419.572 4.175 30 40 HIEB COc1ccc(/C=N/Nc2nnc3c4cccnc4c4ccccc4c3n2)cc1OC 17108256 KZLGCNRXVVXSOD-DHRITJCHSA-N 410.437 4.189 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)c3cccs3)CC2)nc1 24149354 PQHLONYDQJOOIF-JOCHJYFZSA-N 402.523 4.137 30 40 HIEB COc1cc(/C=N/N(C)C)ccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 26919834 FXWIPAZPKDDMFW-CRXVIZHGSA-N 417.509 4.139 30 40 HIEB COc1ccc(CCNC2=C(C(=O)Cc3ccccc3)C(=O)CC(C)(C)C2)cc1OC 100125999 UZAAYBKYEAGWBT-UHFFFAOYSA-N 421.537 4.291 30 40 HIEB CCOc1ccc(CC(=O)C2=C(NC)C[C@@H](c3ccccc3)CC2=O)cc1OCC 100155615 PDSVKGBGSLZTIM-LJQANCHMSA-N 407.510 4.216 30 40 HIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 100930498 UEFUBRXXQCFROU-ZVHZXABRSA-N 405.889 4.383 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 102492991 HMPAXDPLTSFSIX-GROYHEBESA-N 406.265 4.062 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 102875211 UGYNOQFPAOTSEE-GHNGSUTGSA-N 420.292 4.452 30 40 HIEB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cccc(Nc2ncc(C#N)s2)n1 585293318 FBHNGIAOWZWEAI-HXUWFJFHSA-N 421.574 4.885 30 40 HIEB O=S(=O)(NN=C1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 695689 FZUKROBYVPDFGE-UHFFFAOYSA-N 407.333 4.441 30 40 HIEB Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1Cc1ccccc1 5312427 DDCYPNZDNWRFQI-UHFFFAOYSA-N 408.552 4.462 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4O)nc13)O2 5347411 AFOZXNDYVYLZIQ-IBGZPJMESA-N 410.433 4.028 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1)c1cc2ccccc2o1 6080253 QVVBJAUZQRFVHO-OAQYLSRUSA-N 411.417 4.001 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1OC 6786783 YKDIIOPGLDFYDA-NRFANRHFSA-N 419.433 4.075 30 40 HIEB COC(=O)c1ccc(COc2ccccc2/C=N/Nc2ccc(C(=O)O)cc2)cc1 7780096 KFSCCIUNOGAANS-ZVHZXABRSA-N 404.422 4.196 30 40 HIEB COc1cc(/C=C/C(=O)OCC(=O)c2cccc3ccccc23)ccc1OCC#N 7787367 IDJVXIDURSUPNL-ZRDIBKRKSA-N 401.418 4.190 30 40 HIEB O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1OC(F)F)n1ncnc1N2 9487551 BRAIBTVNYINTEW-ODXCJYRJSA-N 424.407 4.001 30 40 HIEB Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9575749 YUAYSALAXRQXPW-SZNDQCEHSA-N 404.422 4.058 30 40 HIEB C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354337 MQLGFKFGEUQHGY-QGZVFWFLSA-N 421.284 4.455 30 40 HIEB C=CCNc1nnc(SCc2nc(N)c3c4c(sc3n2)CCCCC4)s1 12474093 QUQZIYYGFPCIKI-UHFFFAOYSA-N 404.590 4.284 30 40 HIEB Cc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](C)CC1=O)N2 14608140 YNDWEJAJKNZPCF-CMJOXMDJSA-N 400.482 4.434 30 40 HIEB COc1ccc(-c2nc3ccccn3c2/N=C/c2ccc(OC)c(OC)c2)cc1O 15986763 AYUKIKAPRBKJSM-ZVHZXABRSA-N 403.438 4.483 30 40 HIEB Cc1nc2ccccn2c1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1 21475659 NZWGFGCMXGFNEM-NHFJDJAPSA-N 409.537 4.384 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccco2)c1 32739456 IIYXYILXWJNAHP-KRWDZBQOSA-N 410.495 4.152 30 40 HIEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)S1 59247822 SQFQQDBFWKKVHV-CHROMADKSA-N 416.886 4.392 30 40 HIEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 83327073 RXECUGKXIUIXKB-QPEQYQDCSA-N 410.238 4.499 30 40 HIEB C/C(Nc1ccccc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(O)c1 100252137 BANKBFZWKKKCEL-ONQWYEKWSA-N 400.434 4.141 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c2ccccc21 408771730 BTJUBKMBOWFEPO-JAIQZWGSSA-N 419.506 4.323 30 40 HIEB N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(c2ncnc4ccsc24)CC3)cc1 585100852 ZAUPEKFQKJDLIH-HSZRJFAPSA-N 417.538 4.228 30 40 HIEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@H](C)COC 4889419 GWABGCGQESQLSW-QZTJIDSGSA-N 412.534 4.222 30 40 HIEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1 5520014 PIYWXXJYWPNFAP-WJDWOHSUSA-N 402.317 4.407 30 40 HIEB Cc1ccc(-c2csc3ncn(CC(=O)Nc4sccc4C#N)c(=O)c23)cc1 7987879 OGTUJNGLAJYOCA-UHFFFAOYSA-N 406.492 4.005 30 40 HIEB CCOc1ccc(N(CCC#N)C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 10730286 HHDPOQXHDYZWQS-UHFFFAOYSA-N 424.541 4.482 30 40 HIEB COc1ccc(C)cc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N 35288602 SPRKJUHUIKOBNO-UHFFFAOYSA-N 423.494 4.172 30 40 HIEB Cc1ccc(C)c(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1 59484497 SATGKXVTWNANML-ZOVQAKDCSA-N 407.469 4.053 30 40 HIEB C/C(Nc1ccc(C)cc1)=C1\C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(O)c1 100249814 NFZWXLVNIZVLPV-GTRUEHEQSA-N 414.461 4.449 30 40 HIEB COc1cccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 102804081 SVUHAWIMHZKKPA-LFVOPCPISA-N 424.840 4.271 30 40 HIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C 408595268 WDFPTCSVBPNHPR-ZMOGYAJESA-N 404.426 4.433 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3OC)S2)cc1 408762178 DDTNNSZQRDIHTO-YBEGLDIGSA-N 419.300 4.358 30 40 HIEB Cc1cc(/N=C\c2ccc(N3CCOCC3)cc2C)ccc1I 409104779 FKTFOHDETRDTOL-BKUYFWCQSA-N 420.294 4.495 30 40 HIEB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4[C@H](C[C@]3(C)O)O[C@H](O)[C@@]43O[C@H]3C[C@H]12 1772591279 QYDMROXJZOKPRP-GHJQUOEGSA-N 404.591 4.437 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 16732440 QFOYKUIBJIQMIW-RBBKRZOGSA-N 419.477 4.009 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2ccc(Br)cc2)C(C)(C)c2ccccc21 18165907 IOYWOYCDENIJTP-UNOMPAQXSA-N 414.299 4.487 30 40 HIEB COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3cccc(C#N)c3)C2)cc1 20503166 MLZUPIUTHRVNEU-RBBKRZOGSA-N 411.505 4.015 30 40 HIEB biogenic,in-vitro Cc1c(-c2cc(C(F)(F)F)nc(Nc3sc4c(c3C#N)CCC4)n2)cnn1C 36613995 OYLGNRJCEFSSKH-UHFFFAOYSA-N 404.421 4.370 30 40 HIEB CCOC(=O)Oc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C)C2=O)cc1OC 4679590 GMLJZYFTNNXILS-YISMEOAQSA-N 412.467 4.464 30 40 HIEB C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C2CCCCC2)cc1 4863683 DIVVFRAORMINRT-RCCKNPSSSA-N 401.488 4.345 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@H]3C[C@H]12 12881166 ARYDPXCLLLRKHT-DHWOPMESSA-N 423.597 4.370 30 40 HIEB biogenic CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409765 UXBBMBRRHGIXEW-MRXNPFEDSA-N 411.508 4.054 30 40 HIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCCC1)C2 253589949 OKHUBORQPKQZOU-WZOHSFFVSA-N 412.574 4.339 30 40 HIEB O=C(O)COc1cccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)c1 408749093 LGROZWYBKHTSRE-VIZOYTHASA-N 423.277 4.348 30 40 HIEB C=CCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)O)C2=C1C(=O)CCC2 409072027 AGCBLKPKLDJJRF-UHFFFAOYSA-N 421.493 4.140 30 40 HIEB Cc1ccc(COc2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2Cl)cc1 409404465 LOKQJSVGCDFWIO-YHDSQAASSA-N 420.896 4.368 30 40 HIEB CCCCN1C(=O)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 2265437 FBCOARIPXMQFSN-OAQYLSRUSA-N 422.447 4.003 30 40 HIEB C=CCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 4074114 OMCAHGFOGWXCSS-OSPHWJPCSA-N 419.912 4.039 30 40 HIEB biogenic COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)cc1OC 4435902 AEBJVLGJEBEUDA-QMHKHESXSA-N 416.481 4.019 30 40 HIEB CCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc12 5065896 MUILIKJMLSALEZ-JFLMPSFJSA-N 414.513 4.277 30 40 HIEB COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3ccncc3)nn21 6508436 NVWFSPMZDITINI-HXUWFJFHSA-N 401.470 4.007 30 40 HIEB COc1ccc2c(c1)/C(=N\OC(=O)c1ccccc1I)CCC2 8427019 XRIBEEZBYIQSRI-JZJYNLBNSA-N 421.234 4.197 30 40 HIEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCc2ccc(C)cc2)cc1OC 12857549 DNIKPXZSHVKMSY-QFIPXVFZSA-N 424.541 4.459 30 40 HIEB CCc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 12998299 PKFKSHVTXWJZKA-UHFFFAOYSA-N 416.550 4.202 30 40 HIEB N#Cc1ccc(CN2C[C@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)[C@H](F)C2)cc1 96112247 XNLBGWAPSBXQAA-APWZRJJASA-N 418.394 4.192 30 40 HIEB biogenic,in-vitro CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408907865 PPAMHTIZABQHMS-OUYOUGTCSA-N 413.455 4.241 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)S2)cc1 408967829 XNHFHMVUFWUNMC-CPNJWEJPSA-N 420.450 4.286 30 40 HIEB CCc1ccc(NC(=O)C[C@H]2CC3=C(C[C@@H](c4ccccc4C)CC3=O)NC2=O)cc1 1548338385 WNYBPGMGQKZYQK-RTBURBONSA-N 416.521 4.423 30 40 HIEB COc1ccc(/N=C/c2ccc(OC(F)F)cc2)c(S(=O)(=O)N2CCCCC2)c1 3233602 QZOXIJLWWYGBIK-OEAKJJBVSA-N 424.469 4.222 30 40 HIEB C=CCNC(=S)N/N=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 4616201 ILQKNUBQJLJFQT-KOEQRZSOSA-N 411.571 4.426 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 4699851 XHHPEUJDTBAJFR-JJXNMMKVSA-N 405.882 4.459 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C 5869390 DINONWQRERLSTK-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB Cc1nn(C)c(C)c1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 9545204 MMKUHUBOZGBXGH-HXUWFJFHSA-N 421.884 4.473 30 40 HIEB Cc1cc(NC(=O)[C@H](C)SC/C(O)=N/c2ccccc2N2CCCCC2)no1 12527273 RWRWTTSPRLABMC-HNNXBMFYSA-N 402.520 4.322 30 40 HIEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N1C 13286045 PJGWMCHEQLDCML-NIQTYAIASA-N 404.333 4.389 30 40 HIEB COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccn2)CO3)C1=O 13723959 GEZACIURJQLMHW-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1Cl)N(C)CC3)OCO2 20411247 MCOIXNDOBXKQAW-MRXNPFEDSA-N 420.292 4.342 30 40 HIEB biogenic CCOC(=O)COc1ccccc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O 408761531 GLJDCMHBUSTJLA-UYRXBGFRSA-N 410.495 4.083 30 40 HIEB C=CCOc1ccc(Br)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409091103 PEZVNDFLFSDQSF-VBKFSLOCSA-N 405.292 4.239 30 40 HIEB C=CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 409196446 VPNRIKPSOSLMMR-LDADJPATSA-N 412.873 4.396 30 40 HIEB CCOC(=O)c1c(NC(=S)N/N=C/c2ccc(F)cc2)sc2c1CCCC2 3251499 LBCZZBTUCRHXJG-SRZZPIQSSA-N 405.520 4.263 30 40 HIEB C=CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2C)nnc1-c1ccccc1 7833182 CQXYKDGUERQTFY-UHFFFAOYSA-N 406.555 4.499 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1cccnc1 8472245 YOVMUAYIBBRRBJ-INIZCTEOSA-N 407.543 4.058 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 12322909 MIPUWJARNBMVMA-NSPYISDASA-N 424.482 4.128 30 40 HIEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 14197909 JJCBKXYYEITYBZ-UHFFFAOYSA-N 417.893 4.223 30 40 HIEB Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 252489223 JLHXRBFIZZXXGB-LIMNOBDPSA-N 412.778 4.443 30 40 HIEB O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 408729969 LZZXYYHFYNGTBM-HZHRSRAPSA-N 421.478 4.092 30 40 HIEB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC#N 408820874 AAHCDCGASHYCKJ-WJDWOHSUSA-N 400.843 4.492 30 40 HIEB N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)Nc1cccc(F)c1 662206 UFBIRLAYXABPPH-UHFFFAOYSA-N 407.426 4.219 30 40 HIEB COc1cc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC 3166112 KHNAWZMNPUBGHI-WYMPLXKRSA-N 407.392 4.374 30 40 HIEB N#Cc1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCCC2 3290435 OIKZNNOCSPVOHW-UHFFFAOYSA-N 419.300 4.057 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 4699887 FOMBLQNDBPKQBP-VLZBMTSBSA-N 411.527 4.292 30 40 HIEB COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)cc1 4712941 DMRLKRJDAJNMDH-IQZBWDKASA-N 405.479 4.369 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 4993255 FBTLTDQTERBAEW-HSZRJFAPSA-N 418.493 4.310 30 40 HIEB Cn1nc(-c2ccccc2)c(C(=O)/C=C\c2ccc(F)cc2)c(N2CCCC2)c1=O 5892311 LYWHTOFQZYMZNT-KAMYIIQDSA-N 403.457 4.083 30 40 HIEB C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 9210642 MDQNTWSPJZSOSR-FOIQADDNSA-N 424.501 4.044 30 40 HIEB CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c(OC)c1 18254796 OSLDRFZLCBXKSQ-DEDYPNTBSA-N 411.527 4.442 30 40 HIEB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(Cc1ccc(C#CC(C)(C)O)cc1)C2 19080865 XTSYPLRYYGDBCB-AREMUKBSSA-N 419.565 4.171 30 40 HIEB O=[N+]([O-])c1ccc(/C=N\Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 31829089 BRXOQAUJWFLEKZ-OYKKKHCWSA-N 423.436 4.382 30 40 HIEB C=CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)C1CCCC1 40156860 VELDRZMQGGCLGK-UHFFFAOYSA-N 405.420 4.131 30 40 HIEB O[C@@H]1OCCC[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 68568585 YEMOXYUOUXISBX-CRCLSJGQSA-N 420.165 4.470 30 40 HIEB biogenic CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc([N+](=O)[O-])c1C 100538365 OTVWQQPUHZGRHF-PTGBLXJZSA-N 420.454 4.217 30 40 HIEB C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O 104269244 PFEHTPBUONTSDE-GAUIZKDXSA-N 411.870 4.467 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 409019132 YELKIMUOVKZNFU-DEDYPNTBSA-N 415.518 4.275 30 40 HIEB N#C[C@@H](C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1ccc2ccccc2n1 675906640 AZISEWJXYXGZMY-CQSZACIVSA-N 410.355 4.342 30 40 HIEB CCC(CC)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 5408256 BTYYYLDIYUJWFO-ZDUSSCGKSA-N 401.319 4.086 30 40 HIEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 5546256 ZLNXZZAIMTUSPS-NXBZYNMESA-N 418.522 4.314 30 40 HIEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1c[nH]nc1-c1ccccc1 8683402 FASRNFHGLLMUIA-JVWAILMASA-N 421.460 4.248 30 40 HIEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)s1 13728249 AUVFKFPQLRDARQ-SFHVURJKSA-N 423.469 4.073 30 40 HIEB N#CCC[C@@H](C#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 24989896 WKGLZZNDOILURN-AWEZNQCLSA-N 407.271 4.270 30 40 HIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4c(F)cccc4F)CC3)nc2c1 35314811 PJFYLWMHXVUCMD-UHFFFAOYSA-N 406.436 4.046 30 40 HIEB C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 44085761 MEPPLYBDYPJKFT-UHFFFAOYSA-N 406.349 4.213 30 40 HIEB COc1ccc(N2CCN(c3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1 96346444 CMHGXSCJMDQPOY-RTWAWAEBSA-N 400.482 4.153 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c(C)c1 102864119 YYUABTHVPQGBMS-MOBKVPTQSA-N 414.461 4.021 30 40 HIEB O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102881351 XSXUBWFVAGHDNT-JBCNATCCSA-N 414.417 4.217 30 40 HIEB C#CCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OC 409215428 YOXGTOIMVHTFOK-UDWIEESQSA-N 405.235 4.371 30 40 HIEB N#Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 2617114 WDPNMHOGEMGNIC-UHFFFAOYSA-N 418.836 4.238 30 40 HIEB CCOC(=O)c1c(NC(=O)CO/N=C(/C)c2cccs2)sc2c1CCCC2 4155023 DWTYWWILISEYGW-MTJSOVHGSA-N 406.529 4.244 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccccc1 12408271 ZYQLDTOFMDGKSQ-UHFFFAOYSA-N 408.523 4.305 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 20130036 FEBAMHYCYQYWMD-QFIPXVFZSA-N 406.526 4.224 30 40 HIEB C=CCn1c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 26118303 WSCVFRVMKOKWAN-OAHLLOKOSA-N 422.539 4.422 30 40 HIEB O=[N+]([O-])c1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1Sc1ncccn1 33661977 YIGWCGWXSMLKRU-OPVMPGTRSA-N 420.376 4.396 30 40 HIEB Oc1ccc(Br)cc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 51340000 DQGQUFXUPBRPLW-LSCVHKIXSA-N 409.696 4.238 30 40 HIEB CC(C)[C@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987005 XTOUXSDZTCJFAG-DEOSSOPVSA-N 403.482 4.188 30 40 HIEB C=CCn1cc(CN2CCc3c(O)nc(N4CCC[C@H](C)C4)nc3C2)c2ccccc21 72335620 FVZAMHAMGYKXNE-SFHVURJKSA-N 417.557 4.118 30 40 HIEB CC/N=C1\S/C(=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(=O)N1CC 105884023 NGBMILJJFSQGGQ-ALUZUPNRSA-N 423.494 4.293 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1Cl 408737990 HINFXMZTYMPTKJ-BNCCVWRVSA-N 417.830 4.177 30 40 HIEB CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)ccc1OC 408797765 TWMPAYLGQUFBKY-NOQVSKCTSA-N 412.467 4.026 30 40 HIEB Cc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1 2634048 BLOKGUSJRMGKBP-HSZRJFAPSA-N 419.554 4.389 30 40 HIEB Cc1cc2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2c2ccccc12 2636017 GXQMIPLDYMBNAC-UHFFFAOYSA-N 401.495 4.230 30 40 HIEB C=CCn1c(SCCOc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 3326983 HDFGIWIINAEEQB-UHFFFAOYSA-N 414.552 4.312 30 40 HIEB CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 4024680 BHGMIXCYXMPJDA-QFIPXVFZSA-N 406.438 4.162 30 40 HIEB N#CC1(C#N)[C@H](c2ccoc2)[C@@H](C(=O)Oc2ccccc2)N2c3ccccc3C=C[C@@H]21 4619160 FWYQTWKAYMEBJL-ZLNRFVROSA-N 407.429 4.287 30 40 HIEB CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc12 5100887 SVTUXIJCKSMVCC-CJCQAYSXSA-N 420.904 4.231 30 40 HIEB CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 5408558 FLKDWKARQVUUIS-SFHVURJKSA-N 416.547 4.102 30 40 HIEB COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1N1CCCCC1 6994197 ZVTZUBVMYDAKCN-UHFFFAOYSA-N 405.527 4.430 30 40 HIEB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)c1 8125801 ZNHXWSDWCAZMMF-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 8160897 UAOMDLDQXBHHGV-INIZCTEOSA-N 408.552 4.485 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9272100 MIHOZRQIFJGDMO-FQEVSTJZSA-N 418.405 4.275 30 40 HIEB C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccncc1 10007711 CQZJMKXLBLMSBR-UHFFFAOYSA-N 403.511 4.476 30 40 HIEB CCOc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(Cl)c1OC 11334762 OHNOKPGXNRUUIU-BQYQJAHWSA-N 401.890 4.480 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(OCC)cc1 14086489 WNRXTTKNCWNCAA-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB C#CCOc1ccccc1CN1Cc2cc(C)ccc2OC2(CCN(CC)CC2)C1 19527063 ZDOHYTBWNQLWKV-UHFFFAOYSA-N 404.554 4.256 30 40 HIEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 22111012 DUHDMQSOXFMWQG-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCn1c(=O)oc2ccccc21 103876307 HASOCPBKJYORDS-QOCHGBHMSA-N 415.902 4.210 30 40 HIEB Oc1c(/C=N/Cc2ccncc2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 104296176 SVJAZSYQTKXLEZ-AUEPDCJTSA-N 403.389 4.221 30 40 HIEB C=CCN(c1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1)S(C)(=O)=O 218394575 AAVJEUWTHSDBLB-UHFFFAOYSA-N 414.571 4.125 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)S2)cc1 408961779 DYUFHMOUVHMUJC-CPNJWEJPSA-N 420.450 4.286 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2scc(-c3ccco3)c2c1=O 3416828 UOBYMAFESCUMBQ-ZDUSSCGKSA-N 417.556 4.157 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 6005283 SEXPIJVLDMLQSS-YVEFUNNKSA-N 411.527 4.234 30 40 HIEB Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCCN21 6589980 WLMYTEBZMUDKGB-RCZVLFRGSA-N 408.509 4.434 30 40 HIEB CC1CCC(C#N)(N(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 8039550 WXTLOENCNGWFKC-UHFFFAOYSA-N 415.588 4.364 30 40 HIEB C=CCNc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cs1 10133089 FOKFQOKPMNTXHQ-GOSISDBHSA-N 411.458 4.417 30 40 HIEB C=C(C)Cn1c(=O)n2nc(Cc3ccccc3)nc2c2c3c(sc21)COC(C)(C)C3 13733609 SAGYPRVNGLPUDY-UHFFFAOYSA-N 420.538 4.124 30 40 HIEB O=Cc1cccc(/C=N\Nc2nnc(N/N=C\c3cccc(C=O)c3)c3ccccc23)c1 31670019 IKVKQOJSTSLISE-WFBNZKAHSA-N 422.448 4.147 30 40 HIEB Cc1noc(-c2ccc(C(=O)OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)n1 96794562 AJSJGSURHXQRIL-BKUYFWCQSA-N 417.465 4.082 30 40 HIEB Cc1ccc(Cn2cc(C=Nn3c(O)nc4ccccc4c3=O)c3ccccc32)cc1 409342682 HCFOHRKCMVCYBJ-UHFFFAOYSA-N 408.461 4.296 30 40 HIEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 1889261 RDWHPRCVYOCLKH-HNENSFHCSA-N 424.884 4.172 30 40 HIEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 2658340 PMFVDNUZSVSSRZ-PDERCVKFSA-N 415.921 4.035 30 40 HIEB N#Cc1nc(-c2ccc(Cl)cc2Cl)oc1N1CCN(C(=O)c2ccco2)CC1 8844475 XMHQTBQRCNEJML-UHFFFAOYSA-N 417.252 4.075 30 40 HIEB COc1ccc([C@H]2C(C(C)=O)=C(C)Oc3ncn4nc(-c5cccs5)nc4c32)cc1 9041544 WBTHSZDHVRSTNR-SFHVURJKSA-N 418.478 4.249 30 40 HIEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc2[nH]c(=O)[nH]c2c1 12993873 JFWKJVORGWNNQU-VQHVLOKHSA-N 407.433 4.000 30 40 HIEB CC(C)CC(=O)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 15906453 HPTFWFYPRQGNGX-DYTRJAOYSA-N 419.266 4.066 30 40 HIEB C=CCn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1-c1ccccc1OC 16050251 PBWPZQNOBUWCEB-UHFFFAOYSA-N 421.478 4.244 30 40 HIEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cncc(Br)c1 28605133 ROWOJLMSGUMJDN-FXBPSFAMSA-N 404.333 4.368 30 40 HIEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59302168 DQGVZEBRLCRJMU-WYMPLXKRSA-N 419.437 4.200 30 40 HIEB Cc1ccc(NC(=O)[C@H](C)O/N=C(/N)c2ccc(OCc3ccccc3)cc2)c(F)c1 97571214 VZGZLYRJTIKABB-KRWDZBQOSA-N 421.472 4.377 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br 408533252 XTJHEJNOIQVNIH-ATVHPVEESA-N 413.296 4.353 30 40 HIEB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC#N)cc2)S1 408813460 UIWBMJOKDBJGAQ-UHFFFAOYSA-N 400.867 4.014 30 40 HIEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccccn1 409325750 AOMCWXFNVAFWAK-UHFFFAOYSA-N 411.303 4.484 30 40 HIEB Cc1cc(C)n(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(=O)c1C#N 3448287 KUUTZGZPUUVUMB-UHFFFAOYSA-N 412.424 4.075 30 40 HIEB C=CCc1cccc2cc(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)c(=O)oc12 4580103 FNMIJXUNYOHLEJ-UHFFFAOYSA-N 407.510 4.237 30 40 HIEB COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)ccc1O 4993248 YVIDQRKTNRZNPG-HSZRJFAPSA-N 418.493 4.316 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)cc1 5100278 METFVEQLPDBOOE-UWJYYQICSA-N 420.538 4.213 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 5988093 NHVZBCFWCROFPM-KRWDZBQOSA-N 406.265 4.218 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)c1 8740650 UIGLMZGRBMUYBF-HXUWFJFHSA-N 404.397 4.012 30 40 HIEB COc1ccc2oc(=O)c(-c3csc(N/N=C/c4ccc(N(C)C)cc4)n3)cc2c1 9331215 GYLIMEZDMWLRPK-FSJBWODESA-N 420.494 4.437 30 40 HIEB COc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 19942228 CWGOLSFKPZXCKR-UHFFFAOYSA-N 403.507 4.439 30 40 HIEB CC(C)c1nnc(S[C@@H](C)C(=O)Nc2sccc2C#N)n1Cc1ccco1 22133460 UYKILXGGSHYLCC-LBPRGKRZSA-N 401.517 4.095 30 40 HIEB CC(=O)c1ccc(OCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)cc1 32818848 AHHSPJFIVLVNOJ-UHFFFAOYSA-N 413.477 4.448 30 40 HIEB N#Cc1c(N)nc2c(c1-c1cc(Br)c(O)c(Br)c1)CCCC2 106107414 IPIBTMAFIHVXSK-UHFFFAOYSA-N 423.108 4.312 30 40 HIEB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1 409351238 ZVQGBQAKHDNQHB-YBFXNURJSA-N 405.479 4.357 30 40 HIEB CCOC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N 663809 JCKKUKMMDIAXPR-UHFFFAOYSA-N 424.400 4.413 30 40 HIEB aggregator C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C[C@H]12 4086226 LWCXKNMSQYVAHH-BBPVLXATSA-N 400.607 4.251 30 40 HIEB biogenic C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)C1(C#N)CCCCC1 7362112 YDLMSLJXSOLSIG-QGZVFWFLSA-N 423.586 4.369 30 40 HIEB Cc1c(Cl)cccc1NC(=S)N/N=C/C=C/c1cn(Cc2ccccc2)nn1 8083242 DBCFVVWDOLOCJL-OGMQXUJQSA-N 410.934 4.274 30 40 HIEB O=C1C2=C(Nc3ccccc3S(=O)(=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 9553937 LJYYHZMACCBZER-QFIPXVFZSA-N 418.430 4.143 30 40 HIEB COc1cc(C#N)ccc1OC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40129776 SLHRFSMZKJSFKS-UHFFFAOYSA-N 404.470 4.472 30 40 HIEB COc1ccccc1NC1=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc2C1=O 100822446 MGPPTKVZQFSETJ-QJOMJCCJSA-N 424.503 4.127 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1CC=C 408786903 XFJXPPFPLNLRTC-RCCKNPSSSA-N 416.477 4.263 30 40 HIEB CCN1CCC[C@H]1CNC(=O)c1ccc(Oc2cncc(C#N)c2)c2ccccc12 685937802 SHULZDNFVZJWEU-SFHVURJKSA-N 400.482 4.113 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccco1 795040 AJHCXYJZHMTSGC-PXAZEXFGSA-N 422.264 4.344 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(N(C)C)cc1 5931434 CSQCQABMFKLXLP-UGSOOPFHSA-N 424.570 4.291 30 40 HIEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/NC(=S)Nc1cccnc1 6328740 LOAKNYYXBZEQBH-UFFVCSGVSA-N 405.314 4.203 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2nc(-c3ccccc3)nnc2O)cc1 17119701 YKGNBZKPVOGATI-PLRJNAJWSA-N 412.409 4.017 30 40 HIEB CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nc1C 29897925 VTTWSVJBFRGBIZ-MRXNPFEDSA-N 407.539 4.384 30 40 HIEB CC(C)N(C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1)C(=O)OC(C)(C)C 40152830 DMOKNJGDXMOQEK-INIZCTEOSA-N 402.495 4.328 30 40 HIEB CN(C)S(=O)(=O)c1cc(/N=C/c2ccc(Cl)cc2)ccc1N1CCCCC1 100257779 IDXFYPODBZUJDH-PXLXIMEGSA-N 405.951 4.331 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 102514311 RBOABXIOAVVRMY-HOGKFDNTSA-N 416.477 4.276 30 40 HIEB CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 169936280 SRFMUCCZTUUCBX-QFIPXVFZSA-N 410.539 4.388 30 40 HIEB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCC#N 409033983 GEVCBOPSVSCHRM-DHZHZOJOSA-N 407.298 4.091 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1cccc(C)c1 409143244 MBZQMRYGDORAJA-NRFANRHFSA-N 419.477 4.038 30 40 HIEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 937263 GKKBPCHACKETSW-SJKOYZFVSA-N 406.511 4.097 30 40 HIEB COc1ccc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1Br 1097701 HZTQOMHGYOWTSW-SXGWCWSVSA-N 413.223 4.489 30 40 HIEB biogenic CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N 1310362 LAPWMKGSGLMNJI-DFQSSKMNSA-N 411.600 4.176 30 40 HIEB CCC(=O)C1=C(c2ccc3c(c2)CCCC3)N(C(=O)CC)n2c(CC)nnc2S1 4518304 CXRHPGWNPNHMSB-UHFFFAOYSA-N 410.543 4.048 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C)c1 14091827 ILWVATCGVGLICG-UHFFFAOYSA-N 408.527 4.103 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 26456757 AHRYQIZAEZKQLU-PEBXRYMYSA-N 405.473 4.382 30 40 HIEB N#Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 40067661 KXNZQJWQHCVQFF-UHFFFAOYSA-N 402.420 4.317 30 40 HIEB COc1ccc(/N=C2/N=C(O)S/C2=C\c2cc3ccc(OC)cc3n(C)c2=O)cc1 72401486 MVURYBRCOIBWBP-ODLFYWEKSA-N 421.478 4.288 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccn2)cc1 104140789 RPXIIBIBFKRSMH-MRJHHRETSA-N 400.434 4.025 30 40 HIEB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccnc(Nc2ccc(C#N)nc2)n1 585294945 WGRFLGDQWJQKNL-JOCHJYFZSA-N 416.533 4.218 30 40 HIEB Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C 5238241 JXAKWVJAIKVLEF-HNNXBMFYSA-N 404.495 4.045 30 40 HIEB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N(C)C1(C#N)CCCCC1 7538025 HXVQBNZFAALFCA-INIZCTEOSA-N 409.559 4.310 30 40 HIEB COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 13682472 XHIVTOGNOCFBAD-QRQCRPRQSA-N 418.449 4.361 30 40 HIEB COc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 32984323 BHDSIZLWHQWEEA-UHFFFAOYSA-N 409.438 4.484 30 40 HIEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408600784 GDUKWPMBKNNFSS-UHFFFAOYSA-N 409.667 4.309 30 40 HIEB COc1cc(/C=N/c2ccc(C)c(I)c2)ccc1OC(C)=O 1060792 MIFPCLNHUVCMEY-VXLYETTFSA-N 409.223 4.284 30 40 HIEB CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 2247037 VZIPFWPWCJZMTN-MZJWZYIUSA-N 418.476 4.108 30 40 HIEB COCCn1c(C)cc(/C=N/n2c(S)nnc2Cc2cccc3ccccc23)c1C 2657596 RAYZZVZIGNCIIG-BUVRLJJBSA-N 419.554 4.258 30 40 HIEB COc1cccc(/C=N/Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)c1 4980101 RHTPWVQZCWKQIA-SSDVNMTOSA-N 407.451 4.380 30 40 HIEB COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(O)c3CN3CCCCC3)C1=O)cn2C 28182444 LFPBFMIGOXINTN-FMCGGJTJSA-N 418.493 4.495 30 40 HIEB CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 98045171 ACRLYYFCDPRVMT-LJQANCHMSA-N 406.885 4.151 30 40 HIEB CCCCCCCn1c(=O)c2c(nc3oc(-c4ccc(Cl)cc4)cn32)n(C)c1=O 101463668 RARNTBCBWGIEPY-UHFFFAOYSA-N 414.893 4.232 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102861945 LMXMEZMBNVWMQZ-ILCKISKLSA-N 403.887 4.002 30 40 HIEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 102927806 YDGNUHQXDZVIGP-HOGKFDNTSA-N 421.493 4.018 30 40 HIEB Cc1cc(I)cc(/C=N/Nc2nc3ccccc3s2)c1O 408975477 KYFJMRGVXABCLL-CAOOACKPSA-N 409.252 4.361 30 40 HIEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c(C)c1 408998890 QSRZPEGZQDVAKS-NHDPSOOVSA-N 408.418 4.368 30 40 HIEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1O 815906 CFFSWIJKYJMZAO-JYYJXNPCSA-N 422.481 4.022 30 40 HIEB O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 853312 VEJGGVUCASXAFC-HYARGMPZSA-N 420.450 4.135 30 40 HIEB Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 876261 TVIKWGHRIANCCL-UHFFFAOYSA-N 423.567 4.333 30 40 HIEB CCOc1ccc(-n2c(C)cc(/C=N/N3C(=O)NC4(CCCCC4)C3=O)c2C)cc1 2643909 ZBUGTAFZQAZAHK-BUVRLJJBSA-N 408.502 4.081 30 40 HIEB O=c1c(/C=N/Cc2cccnc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 2802049 HVEPBSCOLISKIA-MFKUBSTISA-N 411.490 4.456 30 40 HIEB C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O 4910417 YSPDCKCOBOJXJC-SFHVURJKSA-N 405.498 4.016 30 40 HIEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 5108762 WLTBTBJIKUBUGQ-HXUWFJFHSA-N 402.450 4.078 30 40 HIEB COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2C)cc1 5675094 GQHBNJBNOAUPNQ-PMDYYOJLSA-N 404.875 4.297 30 40 HIEB Cc1cc2nnc(SCC(=O)N(C)C3(C#N)CCC(C)CC3)n2c2ccccc12 8346136 HLUAOIAKHMMIGR-UHFFFAOYSA-N 407.543 4.214 30 40 HIEB C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccccc1 13097132 NOOGKEDDFAJQAU-QGZVFWFLSA-N 413.543 4.070 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 13098954 PDMIJZOHWISSTB-UHFFFAOYSA-N 420.557 4.046 30 40 HIEB Cc1c(/C=N/Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)n2c(nc3ccccc32)c1C#N 16249459 YYGCALZTVUAZRX-AUEPDCJTSA-N 420.816 4.381 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccn1 16755554 XUZYYHQRTQPBBQ-UHFFFAOYSA-N 403.870 4.049 30 40 HIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20739513 LNZLVCZUWAPMAO-QFIPXVFZSA-N 404.857 4.336 30 40 HIEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccccc2CC)c1=O 28538010 SQWPBXVMXCJMMV-UHFFFAOYSA-N 408.527 4.431 30 40 HIEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1Cl 78549515 BFEPHCLHNZKPJP-INIZCTEOSA-N 408.889 4.398 30 40 HIEB C#CCOc1cc(Br)c(/C=N/OCc2ccccc2C#N)cc1OCC 408595765 NUDGKZSMAPICAV-YDZHTSKRSA-N 413.271 4.282 30 40 HIEB O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 408964825 SOZYKRLCJYUHLI-NSIKDUERSA-N 410.238 4.499 30 40 HIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2336917 MFHOKRHGLOZPRP-UHFFFAOYSA-N 401.857 4.182 30 40 HIEB Cn1cc(Br)c(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)n1 2739584 JYOXEPKXIXNNDS-UHFFFAOYSA-N 420.082 4.010 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC 4119622 YOVHEWKELBMXQL-REWPJTCUSA-N 410.466 4.032 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)cc1OC 4435914 AEBJVLGJEBEUDA-MWTRTKDXSA-N 416.481 4.019 30 40 HIEB Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3C)[nH]c(=O)c2C#N)cc1 5238315 QTEQYNWTMRFJIP-HNNXBMFYSA-N 404.495 4.045 30 40 HIEB N#Cc1c(SCC(=O)NCc2ccccc2)nc2c(c1C(F)(F)F)CCCC2 9423306 OBABBTMQPVNYOM-UHFFFAOYSA-N 405.445 4.259 30 40 HIEB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2/C(O)=N/c2ccccc2)cc1 13078977 BJHZYQDAMKNXOT-UHFFFAOYSA-N 424.478 4.141 30 40 HIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cc(C)ccc21 32106621 XOWXSPNCPMECQE-HSZRJFAPSA-N 402.429 4.130 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(=O)c4ccccc4o3)c2)c1 40051084 JHUSDEWUCXSYBS-UHFFFAOYSA-N 423.424 4.232 30 40 HIEB CC(C)N(C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C 40152831 OTBWTGZITCQDOU-QGZVFWFLSA-N 402.495 4.328 30 40 HIEB CCOC(=O)C1=C(C)N=C(SCc2ccccc2C#N)N[C@@H]1c1ccccc1OC 98086307 RWWWOVJNVDEFSY-OAQYLSRUSA-N 421.522 4.338 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc2ccccc12 102531642 YMMNIHIMBNQSDA-HOGKFDNTSA-N 401.462 4.298 30 40 HIEB O=C1/C(=N\Nc2ccc(Br)cc2)c2cc(Cl)ccc2N1C1CSC1 223737715 OOYTTZUUGUJDBZ-PGMHBOJBSA-N 422.735 4.381 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=O)c4ccccc4C3(C)c3ccccc32)cc1C 408726278 AWPSHCPHPHHWFV-QULSYZCUSA-N 421.496 4.227 30 40 HIEB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC#N 408787962 BMNSWNQWHDTFCJ-PZHBDVNGSA-N 409.511 4.150 30 40 HIEB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCC#N)c1 409050474 WFNZCESREHOVDI-WQLSENKSSA-N 407.298 4.091 30 40 HIEB COc1cc2c(cc1C=Nn1c(C3CCCCC3)nc3ccccc3c1=O)OCO2 409295666 RFZZDXLNNBLHCK-UHFFFAOYSA-N 405.454 4.064 30 40 HIEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(C#N)c1C 4570308 PUBWQFTWWWVIMW-CYBMUJFWSA-N 417.556 4.052 30 40 HIEB Cc1cc(C)c(S(=O)(=O)NCCCNc2nc3c(C)cccc3cc2C#N)c(C)c1 4964388 DQRZEAQUUYEIOB-UHFFFAOYSA-N 422.554 4.121 30 40 HIEB O=[N+]([O-])c1ccccc1N/N=C/c1cc(Br)c(O)c(Br)c1 9097106 BICLEZKWWXYRBZ-FRKPEAEDSA-N 415.041 4.271 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)cc1 9423372 MMPBPQQPSIKNKW-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 27991469 KDAZERRNOJBMBA-OAQYLSRUSA-N 405.502 4.003 30 40 HIEB CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 54151501 ZENFIEYEVOUZGW-JLHYYAGUSA-N 414.509 4.438 30 40 HIEB COc1cccc(/C=C/C(O)=N/S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC 95350660 JMCHQBGWIITGRE-RMKNXTFCSA-N 416.282 4.369 30 40 HIEB CCCCCCCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc12 97952945 ACROZDUMOYOBBE-MRXNPFEDSA-N 410.518 4.473 30 40 HIEB C[C@H](NC(=O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 100556840 NZDSYEQKTLSCHK-OIBJUYFYSA-N 400.216 4.434 30 40 HIEB CN(C)c1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1Br 137680886 IOFRGOKKKSHRSN-GKXUXJLGSA-N 408.346 4.389 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 239235866 WWRXLKKVHLBDIO-JKNIEJROSA-N 421.500 4.077 30 40 HIEB N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409024841 XROOIWVNBMUHDL-WOJGMQOQSA-N 417.808 4.138 30 40 HIEB C#C[C@](C)(CC)NC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 1423259 ALDNCVPBXCMQOF-HXUWFJFHSA-N 400.404 4.255 30 40 HIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 4331416 MNVYKJWUJQZGTA-KRWDZBQOSA-N 423.586 4.437 30 40 HIEB COC1=C(CCCCCCCCCCOS(C)(=O)=O)C(=O)c2ccccc2C1=O 4758302 VCUAPFMEDNBJNP-UHFFFAOYSA-N 422.543 4.453 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F 4814794 KTHPPLBMRYCWNF-LBPRGKRZSA-N 403.508 4.154 30 40 HIEB C[C@@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1)C(=O)O 5881209 RVQPOCHVYTWUGK-HPUUJOOBSA-N 402.859 4.084 30 40 HIEB COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1CN1CCCC1 7586720 HXYWZDGJGHSOSV-UXBLZVDNSA-N 406.526 4.024 30 40 HIEB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(C#N)c1)CC2 8271337 RWXPDBLZTCYJKQ-JOCHJYFZSA-N 404.491 4.425 30 40 HIEB CS(=O)(=O)Nc1cc(/N=C(\O)c2ccccc2SC[C@@H]2CCCO2)ccc1F 25670324 NUURSNOCGUUBPT-AWEZNQCLSA-N 424.519 4.105 30 40 HIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 28286899 ZFSSMYXBDJULIA-JTQLQIEISA-N 400.485 4.047 30 40 HIEB C=CCc1ccccc1OCCOc1ccc(/C=C2/SC(=N)NC2=O)cc1OCC 33419876 CFPOWOVAQTVUJP-RCCKNPSSSA-N 424.522 4.410 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1F 35164386 SFSLXRJEYATSSW-OAQYLSRUSA-N 404.526 4.402 30 40 HIEB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12 35805432 XCMTYIUCAISGEA-ZMFRSBBQSA-N 410.481 4.295 30 40 HIEB Sc1nncn1/N=C/c1ccc(COc2ccc(Br)cc2Cl)o1 36611073 WCVWTANMDRPJIH-NGYBGAFCSA-N 413.684 4.037 30 40 HIEB COc1cc(/C=N\Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccc(Cl)cc1 95663271 AZIUNUSGBNABMJ-AFPJDJCSSA-N 419.268 4.110 30 40 HIEB Fc1cc(/C=N\c2ccc(I)cc2)ccc1N1CCOCC1 409131191 KCXWCFCNGLJXPS-NDENLUEZSA-N 410.230 4.018 30 40 HIEB CCN1CCC[C@H]1C/N=C1/NCCCCCOc2ccccc2Oc2ncccc21 643571380 JOCXOXKGHOWWLM-IBGZPJMESA-N 408.546 4.257 30 40 HIEB CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc(C)c1C 2889019 PUGKNKUDNONTIO-UHFFFAOYSA-N 403.529 4.156 30 40 HIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 4904662 LLAKWYGOLUQRPF-GIUUDRRCSA-N 411.527 4.256 30 40 HIEB Cc1cc(C)n(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)n1 5587603 BMKUNSGUBNAKJY-UHFFFAOYSA-N 421.570 4.097 30 40 HIEB Cc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)ccc1[N+](=O)[O-] 5864014 VNKQIFVZDLRSMZ-UHFFFAOYSA-N 414.512 4.232 30 40 HIEB CC1CCC(C#N)(N(C)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 8071324 BOYKZMAEJRMDIW-UHFFFAOYSA-N 409.559 4.168 30 40 HIEB C=CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 13371497 BKPXPVFEMJGJDV-ZVHZXABRSA-N 417.962 4.399 30 40 HIEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)s1 13693029 WRUGRQFLRVZWOI-GOSISDBHSA-N 423.469 4.073 30 40 HIEB CCOC(=O)C(=O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1 16682099 BCPXEVLRTQYQLU-JXAWBTAJSA-N 419.389 4.253 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 19973787 OFHMBBSPCGOUKT-IBGZPJMESA-N 416.518 4.197 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](C)CC2=O)N1 20059174 OZCOCGDLJJYMQA-PEBXRYMYSA-N 405.473 4.382 30 40 HIEB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 28961568 CMWJODRNRBOHGA-FQEVSTJZSA-N 412.537 4.246 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409797 FQZOYTPPZNPKAY-MRXNPFEDSA-N 412.492 4.386 30 40 HIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S1 408882571 RCYPRHNZBDZTEI-SXGWCWSVSA-N 402.859 4.003 30 40 HIEB COc1ccc(C/N=C\c2cc(Br)c(I)o2)cc1 408953472 PUVXUJQDOFDLCN-PXNMLYILSA-N 420.044 4.274 30 40 HIEB COCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 409135786 RAXRYYDWCBBKPJ-CIAFOILYSA-N 417.490 4.244 30 40 HIEB O=C(NC(=O)c1ccccc1F)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 1580162 VSFIAMJSQYKZLT-UHFFFAOYSA-N 424.272 4.100 30 40 HIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](C)CC2=O)N1 4386942 PCROMNAQUTYGCC-CMJOXMDJSA-N 416.525 4.000 30 40 HIEB Cc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 4679196 DELPAEGPHPTYTD-YYDJUVGSSA-N 413.437 4.431 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(OC)c1 6003486 JZWNWHVZDIOGEO-PXAZEXFGSA-N 411.527 4.234 30 40 HIEB COc1ccc(/C=C/C(=O)C(C(=O)NC2CCCCC2)=C2SCCS2)cc1 6934084 JFYKXHTXYBYBTD-FMIVXFBMSA-N 403.569 4.418 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1cccs1 7991015 ILLXCCMSWXWLFJ-OAHLLOKOSA-N 417.556 4.140 30 40 HIEB Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl 13686261 XEZWVLOSARPKIF-BWORXHKJSA-N 405.882 4.378 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14091855 YAWMEVOLLYHCFO-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)cc1 19820006 QORZKVWFPXIVRD-HXUWFJFHSA-N 418.541 4.448 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC 21975603 ALRLCSNGZXYZGZ-CMQXMCPJSA-N 420.509 4.151 30 40 HIEB CC[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C 25756904 FSJUEVABZCOMDI-HXUWFJFHSA-N 407.543 4.453 30 40 HIEB CCOc1cc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)ccc1O 31842157 ZWBANUXPQQQLIG-JJFYIABZSA-N 407.451 4.467 30 40 HIEB N#Cc1cccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 32850677 FFLPZKJKQJQABQ-UHFFFAOYSA-N 403.887 4.042 30 40 HIEB CCN1CCN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)CC1 33324485 JSSRWIBCNFWJLD-UHFFFAOYSA-N 412.877 4.181 30 40 HIEB Cc1cc(C)c2cc(C#N)c(N3CCCN(C(=O)c4ccc(F)c(F)c4)CC3)nc2c1 35291534 VWKLEUWKPBMEMS-UHFFFAOYSA-N 420.463 4.354 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100302792 YBNSKGUKYSIPSP-URUPSHLQSA-N 400.478 4.014 30 40 HIEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-c3cccc(Br)c3)s2)C(=O)O1 102500422 DIVNLISLGNQJOO-FZMUQLTDSA-N 417.280 4.406 30 40 HIEB CN1C(=O)/C(=N\c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)c2ccccc21 409122569 ZSDKYKDUENRXHO-QOMWVZHYSA-N 416.506 4.371 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1O 409320584 CAHBNSFMUWYPBD-UHFFFAOYSA-N 420.694 4.353 30 40 HIEB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccc(CC#N)cc2)cc1 5354030 WXWGKGFHPDKFNC-UHFFFAOYSA-N 417.421 4.354 30 40 HIEB CC(C)C(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 5841299 WUFSLYNATGSQHQ-DJKKODMXSA-N 406.236 4.408 30 40 HIEB CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1 13685997 WYABFTGTROFIIB-ZREAOVPFSA-N 405.564 4.314 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 15940608 AXIMWYFDEMIPHO-RTBURBONSA-N 412.555 4.186 30 40 HIEB CC(C)N(CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1)C(C)C 22145545 PGUBYPLPKNYBQH-FQEVSTJZSA-N 412.555 4.445 30 40 HIEB COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1cccc(Br)c1 32930977 XPPAFEWISYQKNY-AWEZNQCLSA-N 417.303 4.366 30 40 HIEB CCCCCCCCCn1c(N/N=C(/C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 97969000 GWTVBMSVVMESFX-ONUIUJJFSA-N 424.549 4.010 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 3195190 HWPPNPCIKNEPFK-CJLVFECKSA-N 412.555 4.211 30 40 HIEB CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238320 FUDRUXZGRQCMQT-HNNXBMFYSA-N 418.522 4.299 30 40 HIEB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3(C#N)CCCC3)n2n1 8131015 XOLNAYNHDSHFRW-UHFFFAOYSA-N 405.527 4.058 30 40 HIEB C=CCSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 8397000 YFYMBFMMDZBBQK-HXUWFJFHSA-N 423.885 4.080 30 40 HIEB C=CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 10510990 JQLZQZUTFPOXKT-UHFFFAOYSA-N 400.887 4.483 30 40 HIEB CCOc1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1Br 13892870 PUUUXOJIPSIUFS-UHFFFAOYSA-N 423.288 4.128 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 19138425 GYVXAWVGPYVNJL-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB C#CCOc1c(Cl)cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl 107926451 FWNUJRSEKQFPBA-UHFFFAOYSA-N 419.377 4.499 30 40 HIEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1ccc(C(=O)O)cc1 409060032 UVIDAAKFUVCVDO-KNRZEBMXSA-N 410.451 4.046 30 40 HIEB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409215492 ZVLOOHYFJLITCK-GYOQDEGTSA-N 424.570 4.282 30 40 HIEB C[C@@](O)(Cn1ccc2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1772572754 CFSAYQVTXBMPRF-LJQANCHMSA-N 405.351 4.061 30 40 HIEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1252168 PKNXQUSZSQQXOY-RGPPVUSESA-N 407.853 4.340 30 40 HIEB CN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)C1(C#N)CCCCC1 4871104 MHWVAMAQTXEFCH-UHFFFAOYSA-N 417.465 4.336 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 6869792 MOQCCMOUFACAJG-MOSHPQCFSA-N 411.527 4.442 30 40 HIEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(CCc2ccccc2)C1=O 9846287 ADGWMGWPPURAAF-FWBDJVAPSA-N 418.877 4.342 30 40 HIEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2OC)C3)cccc1OC 12345915 UFKMNUOMKJMQEI-WPUZRXDDSA-N 409.526 4.283 30 40 HIEB C=CCOc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1OC 96635069 NZBFCHFINHWREM-MHWRWJLKSA-N 414.255 4.367 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 100986976 JCIGLNNBGVGJTH-PEDGUWOXSA-N 412.559 4.113 30 40 HIEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Br)cc1 224730337 UYOSSKYBQZVAEH-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408821207 DRDHVCOEVXQZOQ-MYKKPKGFSA-N 420.421 4.248 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409125278 CVAAQBITYPYQJM-LDADJPATSA-N 412.873 4.396 30 40 HIEB Cc1cccc(/C=N/n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 2370478 FBMYSHMKAUWEIX-MZJWZYIUSA-N 414.513 4.133 30 40 HIEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nnc1-c1cccc(C)c1 3386311 FZZWPAYCLGXJIA-UHFFFAOYSA-N 403.511 4.048 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OCC)cc1 4119645 XVWGRZDCGXHLBR-RDPSFJRHSA-N 424.493 4.422 30 40 HIEB Cc1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(C#N)c1C 4270364 MPMQSDFJDFSQOH-UHFFFAOYSA-N 411.508 4.290 30 40 HIEB O=C(O)CCCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 4576429 VFKAPXIWWUWBPC-GOSISDBHSA-N 417.458 4.111 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1OC 4945088 KPMIMPIPSWSKEH-GAJHUEQPSA-N 416.481 4.019 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 5499396 NYPVQBACVWLKHX-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB CSc1nc(NCCOC(=O)c2cccc(C)c2)c(C#N)c(-c2ccccc2)n1 8844204 YSQUJZKWKAJKME-UHFFFAOYSA-N 404.495 4.315 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 13688764 CCMSKUBWMCVXMS-JJXNMMKVSA-N 405.882 4.459 30 40 HIEB C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 32909354 ZADQOECCNSYSBD-HXUWFJFHSA-N 405.542 4.409 30 40 HIEB Cc1cccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n1 33354045 KAFZKFHFSJJRBH-QMMMGPOBSA-N 420.178 4.364 30 40 HIEB biogenic Cc1cc(N2CCOCC2)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 33771200 ZNFXIICQDZMVDX-OVVQPSECSA-N 424.504 4.091 30 40 HIEB COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)c1 62001285 OKLPLJIKGMEQAL-LSHDLFTRSA-N 414.461 4.367 30 40 HIEB biogenic N#Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 96111777 UGGNMQBPCPWDST-UPVQGACJSA-N 409.489 4.127 30 40 HIEB biogenic,in-vitro C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(Cl)ccc21 100875216 YFDFDCNNTRTXEZ-JZJYNLBNSA-N 405.704 4.493 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224752382 ITLQXTIHRCSSSQ-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 409407878 VTLAOJIIYTXXAP-LATRNWQMSA-N 424.859 4.199 30 40 HIEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1S(=O)(=O)Nc1ccccc1 409411792 LIGGCULMUJEGFT-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 4168140 FVYQFIAJFNDURQ-QFIPXVFZSA-N 406.457 4.441 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790781 RUCKBIJKEPQJLE-PEBXRYMYSA-N 422.558 4.296 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n1 7830474 NNEAJEHSCANEMB-AWEZNQCLSA-N 413.503 4.153 30 40 HIEB O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)c1cccc([N+](=O)[O-])c1 15953202 GNFCGUMXDVVUEB-UHFFFAOYSA-N 418.395 4.465 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)n1nc(SCc3ccccn3)nc1N2 18198886 GLFSDQRWHDLNBC-IBGZPJMESA-N 407.474 4.127 30 40 HIEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 20673754 OAJFACBWXCECHH-KRWDZBQOSA-N 409.921 4.267 30 40 HIEB N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 23394544 MECZDHMQEDKBGP-UHFFFAOYSA-N 410.429 4.236 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2nc3ccccc3[nH]2)cc1 59417086 PWRBVDDWAFHWPF-HYARGMPZSA-N 406.467 4.085 30 40 HIEB C=CCc1ccccc1OCCOc1c(Cl)cc(/C=N/c2nnc[nH]2)cc1OC 100325186 SCNXFLFVMLBKLE-YDZHTSKRSA-N 412.877 4.404 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102531235 DBXWDZBVCBCMOW-FPUHYBSFSA-N 415.848 4.080 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 2640919 LQUCZXVEIOODCD-FQEVSTJZSA-N 411.556 4.142 30 40 HIEB N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)cc1 3341138 JVBOITXZYHCELO-UHFFFAOYSA-N 405.508 4.365 30 40 HIEB CCCCOc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1 4859835 YYPIXZMSBXDHKL-VNHKHXMHSA-N 404.470 4.374 30 40 HIEB N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7217766 OQKIOFBBSDKDBH-LJQANCHMSA-N 407.520 4.211 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)CCC(C)C)nnc1-c1ccc(OC)cc1 8505206 UOUHQXKMVMGVOD-MRXNPFEDSA-N 402.564 4.173 30 40 HIEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccccc1Cl)c1cccs1 9763858 NSVIYOLSCQEYNS-ZDUSSCGKSA-N 403.872 4.036 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)cc1 13653580 YYGORXICUBVULP-OFNOZLENSA-N 407.466 4.027 30 40 HIEB biogenic C=CCSc1ccccc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 20036688 TWYJDJYUBGCVKL-UHFFFAOYSA-N 419.432 4.276 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1F 33766875 VGPIWBDYAUWPMZ-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC#Cc1ccc(C(F)(F)F)cc1 72312607 FRVAGITZGUDNFH-KRWDZBQOSA-N 405.397 4.103 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/O)(c5ccccc54)[C@@H]3C2=O)c(C)c1 408729801 DEGSORCMBXZBAL-UALCZKQPSA-N 422.484 4.314 30 40 HIEB CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 408729868 DSOPDYYWPZEMJB-QHCPKHFHSA-N 414.461 4.439 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408800055 JXDSMHUFUVGBGD-SFQUDFHCSA-N 410.857 4.188 30 40 HIEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc2ncccc2c1 408963355 NKURUACUPFBIND-CMVSNXJPSA-N 406.423 4.082 30 40 HIEB CCOC(=O)Cn1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 408966830 QTRMPIWTIMCNSF-UDWIEESQSA-N 419.506 4.404 30 40 HIEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2cc(C)n(C)c2C)C1=O 409125624 DIYOEQCXMZCNMD-PDGQHHTCSA-N 412.511 4.194 30 40 HIEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 6158529 GMGRHRGHFPNCEB-UHFFFAOYSA-N 414.918 4.427 30 40 HIEB Cc1nc(N/N=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)c2c3c(sc2n1)CCCC3 6234697 MUPAPYAAZAOPMW-UHFFFAOYSA-N 408.443 4.205 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 8363731 OKZRVTFDWSDFIQ-NMSSZPRHSA-N 410.495 4.414 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 8846061 RTECBJSFCFKHLU-HSZRJFAPSA-N 424.456 4.498 30 40 HIEB CCOC(=O)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 9423534 GXLQEMKQAHTKMV-LSHDLFTRSA-N 421.449 4.228 30 40 HIEB C=CCn1cnn(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1=S 22504012 YZJDOWVPPQDPOA-QFIPXVFZSA-N 422.554 4.222 30 40 HIEB N#Cc1ccc(CN2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)cc1 22785749 JWWBBDJZNODYQR-UHFFFAOYSA-N 422.529 4.051 30 40 HIEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 101574175 VLTZBCSODGHKBY-VQTJNVASSA-N 421.298 4.231 30 40 HIEB Brc1cc(/C=N\c2ccc3c(c2)OCO3)oc1I 408846705 ROZCABVYRDVNIR-WCSRMQSCSA-N 420.000 4.126 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 6134380 SYZPAHNAZRRPKG-HXUWFJFHSA-N 420.490 4.320 30 40 HIEB C=CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 6180882 BLAXVMKMACXWSP-FOKLQQMPSA-N 407.898 4.051 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 6445930 CHTPQLQHJNWQJS-QHCPKHFHSA-N 423.472 4.384 30 40 HIEB C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2ccc(Cl)cc2c1=O 7470988 ATNMNKOFKQWZCY-UHFFFAOYSA-N 419.978 4.365 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(SC)cc2)cc1 9012805 NYFYBTMDVDUYMS-OPAMFIHVSA-N 418.522 4.424 30 40 HIEB N#CCCN(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 12516489 BPBVIMJKLCVICK-UHFFFAOYSA-N 406.490 4.296 30 40 HIEB COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C#N)cc3)nccn2n1 16842074 COQOYESZOIQRHN-UHFFFAOYSA-N 415.478 4.007 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(F)c2)c1 17057397 DFFHRVRUDYFYDG-FQEVSTJZSA-N 404.397 4.012 30 40 HIEB CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 18045459 ZECVLFSFNCSXGV-DVCONVQISA-N 417.918 4.329 30 40 HIEB CC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 59248426 FQHZUOJGJWINDO-WYMPLXKRSA-N 404.422 4.444 30 40 HIEB C=CCN(C(=S)Nc1cc(C)ccc1C)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 101211452 URPCLAQHASTGLL-OAQYLSRUSA-N 421.566 4.383 30 40 HIEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 101284738 NFRRPFPXYRLTRX-LJQANCHMSA-N 413.478 4.379 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102804921 LNZSTZFHEXYMOV-YDJIHCHBSA-N 422.412 4.147 30 40 HIEB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(C#N)c3)cc2)cc1 222875079 KRLUQHAJWYHRBC-UHFFFAOYSA-N 419.506 4.239 30 40 HIEB CCN1C2=CC(=NC(C)=O)C=CC2=S=C1/C=C1\C=Cc2cc(OC)ccc2N1CC 334157192 UWXGHUIJYSXLNP-UBBVWALYSA-N 419.550 4.244 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 409358130 KKRMWCNAIYISMX-UHFFFAOYSA-N 412.424 4.126 30 40 HIEB CCc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C(/C)C3CCCCC3)NC2=O)cc1 6995664 FSQXXBMEMRKDKW-MAKCPWPFSA-N 400.548 4.121 30 40 HIEB CO/N=C/NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 8781952 MNFZQTLWCPOZBN-HNNXBMFYSA-N 422.794 4.140 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1 20131831 WDBNPISYVXPLFE-OAQYLSRUSA-N 422.481 4.254 30 40 HIEB Cc1cccc(C)c1NC(=O)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311295 SBYTZMBPRQQABW-UHFFFAOYSA-N 417.469 4.076 30 40 HIEB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC#N)c(OC)c3)SC2=S)cc1 43079767 SLYCDAYFQLHVEM-LDADJPATSA-N 412.492 4.012 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 102927377 BZWCUGBDUQVCDZ-GHNGSUTGSA-N 420.292 4.452 30 40 HIEB CCOC(=O)c1c(C)oc2c1/C(=C\Nc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1-2 103470022 QJBMSGZADXGWPX-LFIBNONCSA-N 419.393 4.384 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3I)S2)cc1 108240743 UCBAYUHGFJKYGG-GDNBJRDFSA-N 420.275 4.491 30 40 HIEB C=CCOc1cc(Br)c(/C=N/OCc2ccccc2C#N)cc1OC 408588479 BPYCZMOXOSNKNB-WSDLNYQXSA-N 401.260 4.445 30 40 HIEB Cc1ccc(Cn2c(C)c(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)cc1 409404122 CFCDRPRDBPHVER-OTLGMJNYSA-N 423.516 4.447 30 40 HIEB C=CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)N(C(C)=O)c1ccccc1-2 2113671 OJJZMNYOXIBYAW-NRFANRHFSA-N 420.494 4.269 30 40 HIEB CC/N=c1\scc(-c2ccc(Cl)cc2)n1/N=C/c1cc(OC)c(O)c(OC)c1 6378036 RGRXQSOAYVCHFU-KXYWVBGFSA-N 417.918 4.396 30 40 HIEB CN1C(=O)[C@H](Cc2ccc3c(c2)OCO3)S/C1=N/c1cccc(C(F)(F)F)c1 8091958 GMJZEWGOAAPUSV-FVOSJULTSA-N 408.401 4.238 30 40 HIEB Cc1cccnc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 8427361 NJHASJBBFUGFRU-UHFFFAOYSA-N 416.190 4.227 30 40 HIEB O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 8518190 SGASSKBYUDJMCD-IBGZPJMESA-N 409.511 4.338 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 9498789 WNFSMFUVVJXXAY-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 33810312 BYBQUGDXZDENFY-QGZVFWFLSA-N 423.538 4.257 30 40 HIEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1Cc1ccco1 95953387 MRMKPJPJPJBBSS-CQSZACIVSA-N 413.528 4.044 30 40 HIEB COc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 826391 VFFYRUCMLUHBAI-HZHRSRAPSA-N 407.426 4.451 30 40 HIEB O=C(C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2)c1ccc(Br)cc1 1788726 ZREYBLRGFZCFAB-XKZIZAOGSA-N 419.364 4.433 30 40 HIEB biogenic CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC 2055369 CIKOJUMGHPVOHB-FQEVSTJZSA-N 413.514 4.261 30 40 HIEB Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)[nH]c(=O)c2C#N)cc1 5238321 DZCNYOAPXZNYJN-INIZCTEOSA-N 418.522 4.353 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)c1 5884152 MAAGFYBKIVHAHJ-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB Cc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 6072837 FLBUPYPYIZOAKU-OUKQBFOZSA-N 422.510 4.011 30 40 HIEB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)o1 6886297 RIRJQHSNRPUOCK-UHFFFAOYSA-N 411.417 4.470 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)c(C)s1 8365496 QICKMAOZUGSFIB-OAHLLOKOSA-N 413.572 4.248 30 40 HIEB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(C#N)cn1C 12739106 XSOZHABOYWUURW-UHFFFAOYSA-N 411.502 4.169 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3[nH]nc(C)c32)cc1O 18198333 IOPGHBKHZCAHAI-XCLFUZPHSA-N 407.495 4.452 30 40 HIEB C[C@H]1OP(=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@@H]1C 25559886 NUIIPODSFKKMFW-KKZNHRDASA-N 423.638 4.105 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 102493002 HMPAXDPLTSFSIX-HVESIFNPSA-N 406.265 4.062 30 40 HIEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772617 FSOAOEVJZSNECK-UHFFFAOYSA-N 400.378 4.303 30 40 HIEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 2339792 USMMKERTLZQACL-UHFFFAOYSA-N 406.483 4.125 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)c1 4538216 BJNXTCZNNSJWBT-NRFANRHFSA-N 418.449 4.160 30 40 HIEB Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3C)[nH]c(=O)c2C#N)cc1 5238316 QTEQYNWTMRFJIP-OAHLLOKOSA-N 404.495 4.045 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 6899462 MMURDXBMNQFPOY-CPUCHLNUSA-N 419.978 4.269 30 40 HIEB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2C#N)o1 7605505 HBSJWFILVGXELZ-UHFFFAOYSA-N 400.847 4.001 30 40 HIEB COc1ccccc1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 7981844 OOXZIECKGRPFCD-UHFFFAOYSA-N 412.511 4.012 30 40 HIEB CCCCCCOc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OC 12198989 BUMBPZXAUSHHMQ-SRZZPIQSSA-N 402.442 4.436 30 40 HIEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)ccc1O 13482322 CFFSWIJKYJMZAO-NJDIQBRYSA-N 422.481 4.022 30 40 HIEB C=CCNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584107 ZAGPMVJLOTXMNR-UHFFFAOYSA-N 414.552 4.092 30 40 HIEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCCn4ccnc4)o3)o2)c1 20891061 LOKKBVMLPRCORV-UHFFFAOYSA-N 403.442 4.392 30 40 HIEB CCCc1ccc([C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)cc1 24527779 BNUYKXTZYVZDNX-QFIPXVFZSA-N 405.546 4.135 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 100127266 KZGHZWPXMAUULO-VFNWGFHPSA-N 409.507 4.378 30 40 HIEB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nc2ccccc2s1 100628263 AXJLISADDRPJIU-AZCDHQAESA-N 414.487 4.026 30 40 HIEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1sc3c(c1C(=O)OCC)CCN(C)C3)C2 100924952 DDVWPCKMKKTHLW-RCDICMHDSA-N 402.560 4.234 30 40 HIEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)s2)N(C2CCCCC2)C1=O 100973360 CMZQQFODVUONMX-NRYCMEERSA-N 406.982 4.133 30 40 HIEB C[C@@H]1C(=O)[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)(C)OCCO)[C@@]12C 118935155 XGGZBVJMRNOSLF-DYSIJNNASA-N 402.575 4.347 30 40 HIEB Cc1ccc(N[P@@]2(=O)c3c(C)nn(CCC#N)c3N=C(c3ccccc3)N2C)cc1 3199095 XVVNYWKTYHCZTN-PMERELPUSA-N 418.441 4.368 30 40 HIEB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc12 4273233 AESSZWPTYLBJCS-UHFFFAOYSA-N 400.463 4.419 30 40 HIEB COc1ccc(N/N=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 5022316 WMZYBEJSGSZYGH-KOEQRZSOSA-N 402.435 4.265 30 40 HIEB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 5238248 CTLZVHMWXYZHMT-MRXNPFEDSA-N 418.522 4.353 30 40 HIEB COc1cc(C(=O)/C=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC 6320039 NGNQLQXYTQBFFG-VQHVLOKHSA-N 412.442 4.117 30 40 HIEB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C#N)s1 7735729 YHEUSJYTUNHXNW-UHFFFAOYSA-N 411.512 4.283 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 9428658 WVZFZYHDTSDKSY-IBGZPJMESA-N 422.368 4.105 30 40 HIEB N#Cc1c(COC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cn2ccccc12 14854169 VMAKGRVDFAVDSC-AATRIKPKSA-N 408.841 4.382 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 17092481 BGFMZHZMLGPJJN-ATBYFLRFSA-N 420.896 4.450 30 40 HIEB O=Cc1cccc(/C=N/Nc2nnc(N/N=C/c3cccc(C=O)c3)c3ccccc23)c1 17418676 IKVKQOJSTSLISE-BKHCZYBLSA-N 422.448 4.147 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 17843396 HPBPIVRQUPKQFX-UHFFFAOYSA-N 409.533 4.425 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccncc1 19999119 OFWWCFZVAKLZEU-JOCHJYFZSA-N 421.541 4.009 30 40 HIEB CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 40090217 ISLXMFQVKLAGHO-RDJZCZTQSA-N 421.335 4.279 30 40 HIEB Cc1ccccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(Br)cc21 223761464 CGMNBJYLMTZIBQ-FXBPSFAMSA-N 402.317 4.036 30 40 HIEB C=CCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)c2ccccc21 720205 ICNRHSXEHSIYCI-VWLOTQADSA-N 411.461 4.153 30 40 HIEB O=[N+]([O-])c1cccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1O 903837 KMDVSDLMXRRNEW-KOEQRZSOSA-N 416.481 4.373 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 9988347 UZIBYXGCWMMSSK-UHFFFAOYSA-N 415.931 4.406 30 40 HIEB CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 16741459 WHUIRCFYBODYAC-IBGZPJMESA-N 408.410 4.148 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 40286806 TZBITADCRBXVEH-VBKZILBWSA-N 406.417 4.197 30 40 HIEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1Cl 100318601 RTVUDSGDJDROQO-VIYXUHAESA-N 402.859 4.281 30 40 HIEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1cccc2ccccc12 408739776 AIRSXUZZRSJXMR-FZJZADEZSA-N 407.882 4.260 30 40 HIEB COc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)cc1 409206168 MQHVJBWUXRWHJW-MLPAPPSSSA-N 415.449 4.105 30 40 HIEB CCn1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 409299415 QDRVRLTWRXFFPM-UHFFFAOYSA-N 409.287 4.324 30 40 HIEB O=C(COc1ccccc1F)OC/C(O)=N/c1ncc(C(F)(F)F)cc1Cl 3270074 CUZPEFCGFYHZLX-UHFFFAOYSA-N 406.719 4.103 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 4629639 OARHAIDSCYYZGB-SFHVURJKSA-N 403.862 4.326 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 5212678 QUSRVYAKTFVPAZ-HEHGZKQESA-N 419.616 4.294 30 40 HIEB CCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 5408556 FLKDWKARQVUUIS-GOSISDBHSA-N 416.547 4.102 30 40 HIEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)S2)cc1 6319165 FAVLVUUQDSFSTO-RCCKNPSSSA-N 423.538 4.122 30 40 HIEB C[C@@H](NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)OCCO2 8075360 SDTLYBJPFDBQQG-QGZVFWFLSA-N 414.461 4.253 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2O)[C@@H]1N(O)C(=O)Nc1ccccc1 13638817 KFLUGPSBBUTIJA-DDLUMYACSA-N 416.528 4.088 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)c(OC)c1 18196517 KBYRMWBAAZOGDG-VOJFVSQTSA-N 423.494 4.152 30 40 HIEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(OCC)cc2)c1=O 28536902 SGORPGJDRCCPSH-UHFFFAOYSA-N 412.490 4.398 30 40 HIEB CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(C(=O)c2ccsc2)CC1 32772379 SMUYEDJCCUYSRM-UHFFFAOYSA-N 418.902 4.130 30 40 HIEB CCCCn1nc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O 32800871 XCNHUVIPJMCXMK-QGZVFWFLSA-N 402.498 4.292 30 40 HIEB C/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C(=O)N1C 408929178 ICCWEQPGMKRIAC-QTVFPPQESA-N 400.507 4.402 30 40 HIEB COc1ccc(Cn2nc(C)c(/C=C3\C[C@H](C(=O)O)c4ccccc4C3=O)c2C)cc1 585082985 ISEKNJGFXRDUCB-SJQUQUAPSA-N 416.477 4.395 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 876765 URFPQLDDAQNDQK-JOCHJYFZSA-N 404.466 4.007 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 1274566 RCVLGGAMDXEKII-UHFFFAOYSA-N 401.875 4.171 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)sc1C 4312249 KZYIBXVQDRBFRB-INIZCTEOSA-N 412.492 4.310 30 40 HIEB CCCCc1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 13023208 ZIVPIWGSTANJTB-UHFFFAOYSA-N 401.514 4.031 30 40 HIEB CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2/C(S)=N/C)cc1 13524383 RIKRPBVIRUJBCW-LJQANCHMSA-N 400.544 4.160 30 40 HIEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c(OC)c1OC 18196820 WFMUXIGREVPQJT-FQEVSTJZSA-N 409.438 4.006 30 40 HIEB Cc1ccc([C@H](CNc2oc(-c3ccccc3F)nc2C#N)N2CCOCC2)cc1 27793541 VIWSCIVFTARIBD-NRFANRHFSA-N 406.461 4.146 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 38536809 NXKNGTACFIPGSH-OAHLLOKOSA-N 419.510 4.133 30 40 HIEB CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1 44167570 JRDQRAFLZSPTRQ-UHFFFAOYSA-N 414.509 4.038 30 40 HIEB C=C(OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)NCc1ccccc1 59383623 HBJIFPPYVCEQLF-HSZRJFAPSA-N 401.462 4.373 30 40 HIEB COc1ccc(N2CCN(c3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1 96346443 CMHGXSCJMDQPOY-NHCUHLMSSA-N 400.482 4.153 30 40 HIEB O=C(O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N\c2ccc(OC(F)(F)F)cc2)S1 100090311 WNDPOWHXYVZJNT-SAZKUCFMSA-N 424.400 4.192 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)no1 102805553 XJVTXRHRGVHJEU-GHNGSUTGSA-N 412.804 4.402 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 102858645 WZQBOHJVNXODBF-GHNGSUTGSA-N 420.292 4.452 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1cccs1 102879502 SVVYSENEWXKLCE-VCWDPOAFSA-N 403.887 4.002 30 40 HIEB O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408737114 JWRIUAKYMQGCMQ-XSFVSMFZSA-N 414.373 4.159 30 40 HIEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)S1 408868077 NLWBILOSIMVINU-BOPFTXTBSA-N 416.886 4.394 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S 408903776 YWDPXWZTINIVSM-LCYFTJDESA-N 407.278 4.066 30 40 HIEB O=C1NC(=Nc2cccc(C(=O)O)c2)S/C1=C\c1ccc(Sc2ccccn2)o1 408987764 BYDBNOSSOUCVPW-PTNGSMBKSA-N 423.475 4.416 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1 409312072 JTGJUPWCDWWMCV-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)SC1=S 409345283 KVIKEVMAWVQXPV-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2cccc(F)c2F)cc1 12321594 WYTHGOMKZLPFOR-YUNKPMOVSA-N 424.407 4.336 30 40 HIEB COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccn2)C3)C1=O 54333093 HJYDQAYFCSJRDB-UUYOSTAYSA-N 414.461 4.367 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@@H]12 61992802 WLRDUFWIFGLONX-IUSCBXDMSA-N 424.585 4.131 30 40 HIEB biogenic CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 78549945 ITWKNVAPHNIHTJ-JOCHJYFZSA-N 423.509 4.479 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)o1 100228626 XNMTUWSDEQIYCH-IFQMBNSMSA-N 406.869 4.295 30 40 HIEB O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 104190786 INEAPZUXKHWWCX-MRPLLJTBSA-N 402.884 4.484 30 40 HIEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408811706 OENBCPHFFXNSRM-RCCKNPSSSA-N 424.456 4.135 30 40 HIEB Cc1c(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c2ccccc2n1C 409072815 SPXIISAMIROIBO-FFXWWKDOSA-N 405.479 4.419 30 40 HIEB CCc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1cccc(C)c1 409148897 UCPAWJHCHILQOF-UHFFFAOYSA-N 411.461 4.369 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1 409300910 YTGBZKRKCZPRDJ-UHFFFAOYSA-N 402.267 4.478 30 40 HIEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)cc(C)c1O 1270283 UNFGGKWLDURNNG-SRZZPIQSSA-N 400.276 4.008 30 40 HIEB COc1ccccc1-c1nc2c3c(ncn2n1)OC(C)=C(C(C)=O)[C@H]3c1ccccc1 5346248 WOVPTFYJDKPVTL-HXUWFJFHSA-N 412.449 4.187 30 40 HIEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)O[C@@H](C)C4)o3)o2)cc1 12418940 AAZLLCBBLFGUQG-GJZGRUSLSA-N 409.442 4.007 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)c1 15772486 FTLPSJSHMJUADI-ZCJKAFFOSA-N 406.354 4.415 30 40 HIEB N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 16047955 PCLMXWAGYSKCCJ-UHFFFAOYSA-N 422.959 4.345 30 40 HIEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)cc1 19820022 FGLOVEKUEXLUKN-SFHVURJKSA-N 422.554 4.047 30 40 HIEB CCOc1ccc(N(CCC#N)C(=O)CSc2nc(NC)c3ccccc3n2)cc1 24599024 DCRVUFNVBUTAPU-UHFFFAOYSA-N 421.526 4.109 30 40 HIEB COc1ccc2c(c1)c(C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N)c(C)n2C1CC1 25634840 WKHYCIBXLPKAHE-ZDUSSCGKSA-N 423.494 4.410 30 40 HIEB Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccnc3)sc2c1 27987621 PVUPTRRRALAORK-SFHVURJKSA-N 417.446 4.376 30 40 HIEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OCC)cc1 66088890 QCFOFAQJHBVBCX-LJQANCHMSA-N 415.511 4.152 30 40 HIEB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@H]23)C1 100744286 NBZXMBPRBWXSSQ-JSEHXZPMSA-N 401.591 4.414 30 40 HIEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100975225 RKPSGRFRQFFAKL-UHHPSXQGSA-N 400.953 4.071 30 40 HIEB Cc1sc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 101028204 HVCSFLDSJWXOSE-QGZVKYPTSA-N 406.507 4.385 30 40 HIEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C)C1=O 101650439 DBCYTZCTMDJRDG-UFIXSJTLSA-N 405.882 4.378 30 40 HIEB COc1ccc(CN2C(=N)[C@H](C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 108420832 UETHKOOPLSSYMI-CPJSRVTESA-N 412.493 4.346 30 40 HIEB COC(=O)c1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 408860945 JCTSTINQJFUNAE-SXGWCWSVSA-N 402.859 4.027 30 40 HIEB N#C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 505959928 KRRAJIJBHNMRPY-MRXNPFEDSA-N 401.253 4.357 30 40 HIEB COC(=O)c1ccccc1/N=C(/CCN1CCN(c2ccccc2)CC1)NC(C)(C)C 5390517 TUQDGEBKIMTVNI-UHFFFAOYSA-N 422.573 4.104 30 40 HIEB CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 5952610 YMWWZXYWBFLOBS-LSHDLFTRSA-N 412.342 4.399 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 6813579 TVJUWSBWUAFMJB-HKUYNNGSSA-N 415.848 4.236 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 7129905 OAXWGDNYDNGVFC-HXPMCKFVSA-N 404.561 4.069 30 40 HIEB O=C1C[C@@H]2c3ccccc3CCN2C(=O)[C@H]1/C=N/OCc1ccc(Cl)cc1Cl 12961069 MOVLVBZQGVQSQG-FWZKLHSDSA-N 417.292 4.211 30 40 HIEB COc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 13776506 GAWWHJCHOXQXAW-UHFFFAOYSA-O 417.316 4.343 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 14137185 JGXMIXMTPZPFPA-UHFFFAOYSA-N 404.282 4.381 30 40 HIEB CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3cccs3)c2C1 19889289 IGMROJGPFGCZMB-UHFFFAOYSA-N 420.563 4.400 30 40 HIEB C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 24641323 ZLVSGTWLOOGQKR-QPJJXVBHSA-N 405.903 4.409 30 40 HIEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 32823459 MNCJSBIFPCOREK-HXUWFJFHSA-N 407.420 4.247 30 40 HIEB O=C(NCc1ccccc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68573703 MBYGYAYBAZPQOT-VIFPVBQESA-N 419.190 4.338 30 40 HIEB biogenic N#C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(OCc2ccccc2)cc1 69744303 USUKLMIYFVLPPF-QFIPXVFZSA-N 410.433 4.310 30 40 HIEB CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 96318697 XVKHRMMXLDJBJQ-HXUWFJFHSA-N 414.465 4.101 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 102864574 VNVFMOPVUUZEED-SELCWUDQSA-N 414.845 4.470 30 40 HIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1c[nH]c2ccccc12 170179037 CAUUQZTYVYBEPO-UHFFFAOYSA-N 400.507 4.046 30 40 HIEB biogenic C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)CC1 257265062 LXEBLYACGYKMNT-UHFFFAOYSA-N 419.569 4.248 30 40 HIEB CN(C)c1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 408740884 IWTNVANTPBBQRY-YBEGLDIGSA-N 402.317 4.407 30 40 HIEB COc1ccc(/N=C2/S[C@@H](Cc3cc(OC)c(OC)cc3Cl)C(=O)N2C)cc1 409143195 VUGGNIWVUIXALW-LQTLECTNSA-N 420.918 4.170 30 40 HIEB COc1cc(/C=N/c2ccc(C(=O)O)cc2C)ccc1OCc1ccc(C(=O)O)o1 409384447 CBKVXVRNWIBJIZ-FOKLQQMPSA-N 409.394 4.323 30 40 HIEB N#Cc1c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)sc2c1CCC2 1895602 MZEMSLUJFXATDN-UHFFFAOYSA-N 412.565 4.333 30 40 HIEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 12408573 RKHJBAJUNGIJNO-SPLOXXLWSA-N 418.453 4.066 30 40 HIEB Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1 12418643 GGFRJLWGWHOWTO-DHZHZOJOSA-N 416.456 4.127 30 40 HIEB Cc1cc(C)n2nc(CCCNC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)c2n1 32937723 ZBZXGDZLPNFXJJ-UHFFFAOYSA-N 417.300 4.279 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1cn(Cc2ccccc2)c2ccccc12 100237567 WWRXLKKVHLBDIO-CHDVFZAXSA-N 421.500 4.077 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102517514 QKINOYXVMQXBHZ-HOGKFDNTSA-N 414.461 4.102 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)o1 102797569 NFVPJDRSKUCWOY-WOOAAIBNSA-N 408.841 4.258 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224905869 VTDNHFDHZCSQKL-UHFFFAOYSA-N 414.527 4.348 30 40 HIEB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC#N 408800185 NNHRKDGZRYSTCU-UHFFFAOYSA-N 414.894 4.322 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 408811050 JYPBIMBPBIUVTP-OQLLNIDSSA-N 417.248 4.225 30 40 HIEB O=C(O)COc1c(Br)cc(/C=N/c2ccccc2)cc1Br 409200295 HWFMIYSTRPMKQT-QGMBQPNBSA-N 413.065 4.426 30 40 HIEB C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OCC)c1OCC 409221967 AGHFMNAWRFOADB-NBVRZTHBSA-N 405.516 4.285 30 40 HIEB CCn1cccc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531180511 BBZFOASVBXFBDI-MTJSOVHGSA-N 401.308 4.160 30 40 HIEB CN1CCc2c(sc(/N=C/c3cc(Cl)cc(Br)c3O)c2C#N)C1 830478 YYNLEIVSPBFVCA-IFRROFPPSA-N 410.724 4.480 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OCC)cc1 4119644 XVWGRZDCGXHLBR-HYBUGGRVSA-N 424.493 4.422 30 40 HIEB CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 4395132 PNURAVZITKDXID-IBGZPJMESA-N 408.479 4.186 30 40 HIEB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccc(C#N)cc3)c2)c1 6681250 YVAKFIDPAYPSTM-UHFFFAOYSA-N 411.508 4.006 30 40 HIEB COc1ccc(OC)c(NC(=O)CCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 8655361 AUMSWFMYNMBYEC-OAHLLOKOSA-N 423.494 4.299 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C)cc1 9303750 BLTJJBVKYTYIOT-HNNXBMFYSA-N 422.510 4.288 30 40 HIEB N#Cc1cc(Br)c(OC(=O)COc2ccccc2)c(Br)c1 9446118 QUJSYURQPMZTNK-UHFFFAOYSA-N 411.049 4.068 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 16310604 PBJXQBWHPFNLPH-BKUYFWCQSA-N 411.439 4.160 30 40 HIEB N#Cc1c(CCCNC(=O)c2cc3c(s2)CCCCC3)nn(-c2ccccc2)c1N 31566353 QTQVKQCLNZQLQM-UHFFFAOYSA-N 419.554 4.019 30 40 HIEB Cc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c2c1 64473851 XAKQBTHDYPUNAR-UHFFFAOYSA-N 402.473 4.087 30 40 HIEB CCOc1ccccc1N/N=C1\C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 100510737 KOCVKGYKBLJEPK-CLCOLTQESA-N 405.483 4.399 30 40 HIEB in-vitro C=CCN(c1ccccc1Br)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077435 RTQIBOAHZMWVAO-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB CC1=NOC(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 409092294 VGMHIPXVACJKAM-ZSOIEALJSA-N 412.250 4.077 30 40 HIEB COc1cc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc(Br)c1O 3264637 KWYSDLWZCOGALW-DJKKODMXSA-N 408.321 4.101 30 40 HIEB C/C(=N\O)C(=O)c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 6317232 DAPVDQLKGCZLLJ-BUVRLJJBSA-N 403.390 4.158 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022238 MKESSNJHNVPBQI-OAQYLSRUSA-N 409.482 4.089 30 40 HIEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O 8467374 YKLZCDAKAMRSBP-HXUWFJFHSA-N 401.462 4.338 30 40 HIEB COc1ccccc1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 8992015 IRAASZWFKPSSFW-UHFFFAOYSA-N 411.914 4.184 30 40 HIEB N=C(NOC(=O)c1ccccc1)[C@H](/C(O)=N/OC(=O)c1ccccc1)C1CCCCC1 17316194 GVWUKOPRGKMIMS-LJQANCHMSA-N 423.469 4.250 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cc(Cl)ccc1O)c1c(O)n[nH]c1N2 18196317 MTTDNTDKQWWVOC-XXFAHNHDSA-N 413.886 4.494 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 19818132 QOTIIPXSRFIXCT-QHCPKHFHSA-N 417.461 4.127 30 40 HIEB COc1cc(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1O 33293491 QHBUGRIRUXCHFM-VGOFMYFVSA-N 423.263 4.194 30 40 HIEB C=CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1Br 58865596 JYNXWYCBOSRKRN-UHFFFAOYSA-N 407.260 4.158 30 40 HIEB Cc1cccn2c(=O)c(/C=N/c3cccc(C(F)(F)F)c3)c(N3CCCC3)nc12 102944772 SKJUVMKMBFFDQD-DHRITJCHSA-N 400.404 4.373 30 40 HIEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 169700624 BGFMZHZMLGPJJN-HCZBOMDCSA-N 420.896 4.450 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 222571648 CCFYKZDPSIAICZ-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB COc1cc(/C=N/c2cccc(C(=O)O)c2C)ccc1OCc1ccc(C(=O)O)o1 409384877 GRCBGZRUWDGOJY-FOKLQQMPSA-N 409.394 4.323 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9272343 CWAZOYCPMKGXHG-HXUWFJFHSA-N 418.405 4.275 30 40 HIEB N#CCn1c(CSc2ncnc3sc4c(c23)CCCC4)nc2ccccc2c1=O 9284427 ZQJQHOASTLTJIM-UHFFFAOYSA-N 419.535 4.096 30 40 HIEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 11400012 UEVSRYZEWUUIPW-JTQLQIEISA-N 424.092 4.489 30 40 HIEB O=C(O)c1ccccc1N/N=C/c1cc(Br)cc(Br)c1O 11903714 QYJZVCMXNOJUAE-REZTVBANSA-N 414.053 4.061 30 40 HIEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 12348831 VRBMEMDSGWATPL-FQEVSTJZSA-N 415.493 4.375 30 40 HIEB C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)CCc3ccco3)c(=O)oc2c1 13625667 JQKSUBBJJSJRSR-INIZCTEOSA-N 409.482 4.329 30 40 HIEB CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 20573511 OLZJHYLHYYAMEX-JXFKEZNVSA-N 422.506 4.222 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)cc1 33011212 GUVICTGFFCURIJ-UHFFFAOYSA-N 403.507 4.080 30 40 HIEB biogenic COc1ccc(C2CC(=O)C(=CNCCc3c(C)[nH]c4ccccc34)C(=O)C2)cc1 100149829 VUDXZRYGMFQTOS-UHFFFAOYSA-N 402.494 4.217 30 40 HIEB CN/C(=N\c1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 102845474 SKHJJRMPSLMBBR-OAHLLOKOSA-N 408.310 4.266 30 40 HIEB CC(=O)c1cn(COCC[Si](C)(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 169747720 WDNQUOQXDLGGNK-UHFFFAOYSA-N 415.415 4.455 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c2ccccc21 408767476 KWDOPKWEYZXYLV-JAIQZWGSSA-N 419.506 4.323 30 40 HIEB Cc1cc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c(C)[nH]1 1531169450 MRYQZXBEXCCYBO-FBHDLOMBSA-N 401.308 4.284 30 40 HIEB C=CCn1c(C)cc(C(=O)COc2ncnc3sc(C(=O)OCC)c(C)c23)c1C 2634026 VAKIVQONJIQFHS-UHFFFAOYSA-N 413.499 4.042 30 40 HIEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)NC1CCCCC1 6479249 RHXQZWOBGYOXPA-UHFFFAOYSA-N 414.575 4.201 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)n1 6648646 CGNPWGWRRQZSSL-LBPRGKRZSA-N 405.505 4.154 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCOC)cc1 6732797 ZYVGWYXDVVCLQX-JOCHJYFZSA-N 419.477 4.166 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc21 9171337 NBHIPNMSEQXERM-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC)c1 11915314 KBHLPGMJIRENJW-JOCHJYFZSA-N 419.477 4.248 30 40 HIEB COc1cc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(Cl)c1OC 14359795 KUYYZSGVSYJICD-JETPPRPQSA-N 402.878 4.074 30 40 HIEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 15012941 ACYHHRVYILKMKZ-MKVLZVNKSA-N 424.316 4.305 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19855079 HSAXTSHTYHIOGA-JOCHJYFZSA-N 418.449 4.306 30 40 HIEB C=CCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224468781 YYQAJYWHZQSTOK-UHFFFAOYSA-N 406.507 4.316 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409068624 SDGJXIHSUWEDCV-XDHOZWIPSA-N 410.495 4.411 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1Cl 409141947 OXFRJYUJQNRDTG-HBBIMHHKSA-N 420.896 4.450 30 40 HIEB COc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c(OC)c1 1354395 XBLOVNIUPOBDKI-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 4899109 BICVTMMKLQUWNP-ZVHZXABRSA-N 414.421 4.074 30 40 HIEB C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCO 6417146 JREAFELZSSHHGP-IVGWJTKZSA-N 403.563 4.246 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 6786154 GLHVAOAWINDMLT-QGZVFWFLSA-N 406.265 4.218 30 40 HIEB Oc1ccc2ccccc2c1/C=N\N1CCN(/N=C\c2c(O)ccc3ccccc23)CC1 8649256 PMCNJQXQVINAAP-HJTNQMAYSA-N 424.504 4.390 30 40 HIEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9283583 OBILCWKGODTXEF-LLVKDONJSA-N 413.405 4.144 30 40 HIEB C=CCSc1nnc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)s1 13009352 WKEWSMLPOKPUCL-UHFFFAOYSA-N 411.434 4.273 30 40 HIEB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ncn[nH]2)c1 13286084 RNBOVLZHNVTDRS-HBUGJHHGSA-N 420.523 4.292 30 40 HIEB C=CCNC(=S)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32124831 HDGRNSYEWHJWRS-JAIQZWGSSA-N 406.920 4.383 30 40 HIEB Cc1ccc(-n2ncc([C@H](C)NC(=O)CCc3c(C)nn(CCC#N)c3C)c2C)cc1 32827392 NHQMATHFVZANCX-KRWDZBQOSA-N 418.545 4.026 30 40 HIEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408708665 KHBKVZIYAWXDAS-UHFFFAOYSA-N 423.557 4.340 30 40 HIEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S1 408867511 LHJRSTUUSUJFRW-SXGWCWSVSA-N 404.875 4.263 30 40 HIEB O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCO4)C3=O)O1 1081802682 NFEJAYXVQDEZMF-FRSZACSASA-N 402.358 4.066 30 40 HIEB C/N=C1\S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1C 2296277 PBOOAKJUAFXNJF-MBCVIIHWSA-N 410.568 4.438 30 40 HIEB CS/C(=N\S(=O)(=O)c1ccc(C)cc1)NCc1ccc(Cl)cc1Cl 6590178 CNXZOORTYAMHHS-UHFFFAOYSA-N 403.356 4.499 30 40 HIEB CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1 6787156 HULXTBQLPSEMKE-IBGZPJMESA-N 401.561 4.306 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 8687177 WMVWANYBUHFNCK-MJHJUBQXSA-N 411.527 4.338 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 8743607 NWTIDBJLCIGLBN-IBGZPJMESA-N 424.840 4.428 30 40 HIEB CCn1cnc2c(Nc3cccc(C#N)c3)nc(N3CC[C@H]4CCCC[C@@H]4C3)nc21 28629353 KFKCBRWHDIUARN-QZTJIDSGSA-N 401.518 4.478 30 40 HIEB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N 33011085 QPGGGRJHCIBXQA-UHFFFAOYSA-N 417.490 4.446 30 40 HIEB N#Cc1c(F)cccc1N1CCC([C@@H]2CCCCCN2C(=O)C2CCOCC2)CC1 71890491 RMBMKNVRWOHTID-QFIPXVFZSA-N 413.537 4.112 30 40 HIEB CCN(CC)S(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1N1CCCCC1 100191393 OCAKITRCBUWRTF-HAVVHWLPSA-N 415.559 4.164 30 40 HIEB CCOC(=O)[C@@](C)(F)OC(F)(F)[C@@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F 100523288 QCMMOZMMCFWTBJ-BQBZGAKWSA-N 416.183 4.337 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 102860954 YLDXOJFCVXMTFH-NHFXJNLRSA-N 407.397 4.049 30 40 HIEB O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 104130932 ICIZWYZDRGSFRJ-HOGKFDNTSA-N 401.437 4.490 30 40 HIEB COC(=O)c1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)cc1 408961348 RUMOYUYECJWXQZ-UBWZAKNHSA-N 421.522 4.307 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)n1ncnc1N2 18200411 PMAHBORQZVEAIB-KZULUSFZSA-N 400.360 4.306 30 40 HIEB O=[N+]([O-])c1ccc(S(=O)(=O)N(/C=N/Cc2ccccc2)Cc2ccccc2)cc1 19419531 WSBOHPJEXDSPQD-OQKWZONESA-N 409.467 4.014 30 40 HIEB C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1OC 24613794 RQLCCWOEVBLWOK-UHFFFAOYSA-N 422.506 4.477 30 40 HIEB C=CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(C(C)C)ccc21 101042185 WHRITZSTMNWSQO-DQRAZIAOSA-N 414.552 4.157 30 40 HIEB C=CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1nccs1 408560357 GXSNZLAEEDXOJP-UHFFFAOYSA-N 421.551 4.395 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OCC 409081409 PYTWLRHFABWXAP-BRYHAGSVSA-N 405.541 4.030 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OCC 409081411 PYTWLRHFABWXAP-PWDRBQJJSA-N 405.541 4.030 30 40 HIEB N#Cc1ncc(C(F)(F)F)cc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1 8857394 NFYVUCHZGJCIMQ-UHFFFAOYSA-N 419.366 4.451 30 40 HIEB C=CCn1cc(C(=O)Nc2ccc(C)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1 17121147 YGWVQVDOAKSONI-UHFFFAOYSA-N 402.429 4.025 30 40 HIEB C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224875214 RANSMMHGZVKFGV-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc2c(c1Br)OCO2 408722244 SAHCNMDBNXPBSV-MDWZMJQESA-N 403.257 4.069 30 40 HIEB O=[N+]([O-])c1cc(/N=C/c2cc(Br)c(N3CCOCC3)o2)ccc1Cl 408849348 ZOUABMCTBBNKEN-GIJQJNRQSA-N 414.643 4.191 30 40 HIEB COc1cc(Br)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1O 408960191 DGTCXBUNNRKUGY-OVCLIPMQSA-N 419.300 4.363 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 1299652 YTXOXWIHNZWOQD-SFLQSAQKSA-N 417.512 4.421 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 2700596 XFSANHVXIRLBRL-FDWYHIAWSA-N 411.504 4.279 30 40 HIEB COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)ccc1O 4993250 YVIDQRKTNRZNPG-QHCPKHFHSA-N 418.493 4.316 30 40 HIEB COc1cc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1OCCC(C)C 9262322 SKSFWCFEOADYPQ-KKSFZXQISA-N 404.470 4.151 30 40 HIEB C=CCn1c(N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)nc2ccccc21 12116504 NFABNHMXVSNWGX-LJQANCHMSA-N 402.542 4.359 30 40 HIEB O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1Cc1cccc2ccccc12 13563643 TUXUKMFRAIEAAC-FNUFSRGGSA-N 404.451 4.214 30 40 HIEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(Br)cc3)c3n2CCC3)cc1 27753730 YPSUFCUDURVSRW-UHFFFAOYSA-O 411.323 4.098 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OC 59136098 LKJQSOSTULSQPI-SDNWHVSQSA-N 412.442 4.071 30 40 HIEB C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 102734272 HLIJUTRTSWJLDG-BJLQDIEVSA-N 414.509 4.463 30 40 HIEB COCC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1F 103372072 AWTIECJXVTYBJI-CXEWRVRCSA-N 421.444 4.386 30 40 HIEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)O 408759511 GIKYWOOZXYQBTN-MOSHPQCFSA-N 422.506 4.333 30 40 HIEB COc1ccc2c(c1)c1c(c3ccccc3n1OS(=O)(=O)c1ccc(C)cc1)n2C 2269763 CYYSKDUXCHHDGL-UHFFFAOYSA-N 420.490 4.421 30 40 HIEB CCOC(=O)c1ccc(/N=C2\S/C(=C/c3ccccc3OC)C(=O)N2CC)cc1 4649338 SOMPOGAGBTWHLV-XGHAMVSDSA-N 410.495 4.496 30 40 HIEB CC(=O)c1ccc(/N=C2\SCCCN2C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 5549320 SWGKIZLDOOOEAW-ZMQDTPDDSA-N 409.467 4.464 30 40 HIEB CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1(C#N)CCCCC1 7763760 BUJQHHFCZQYUEC-UHFFFAOYSA-N 401.561 4.118 30 40 HIEB COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccco1 9195593 AMDYKVAEYNBWND-WOLJRWFJSA-N 424.456 4.213 30 40 HIEB COc1ccc(-c2csc3ncnc(NCCNc4ccc(C#N)cn4)c23)cc1 31577054 FMEYFSFBHHLLOS-UHFFFAOYSA-N 402.483 4.158 30 40 HIEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)COc1c(Cl)cccc1Cl 32765459 AMDCSRXZKNTJIP-UHFFFAOYSA-N 410.301 4.337 30 40 HIEB N#CCCN(CCC#N)c1ccc(/C=C2/SC(=S)N=C2O)cc1Br 33493231 HTMBEOWUVUPUSS-GXDHUFHOSA-N 421.345 4.412 30 40 HIEB C#CCOc1ccc(Br)cc1CNC1CCN(Cc2ccccc2)CC1 58166885 FOOXHOVXLNPCQR-UHFFFAOYSA-N 413.359 4.215 30 40 HIEB Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1 96024145 JGLNEYZMCHAXFN-OEJOWEAXSA-N 402.498 4.184 30 40 HIEB CCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N\c2ccccc2)S1 100129567 VXRJIQGVQNVKHR-QAYQYMSWSA-N 415.946 4.040 30 40 HIEB CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O 2266092 LLAKWYGOLUQRPF-WTLZDUFCSA-N 411.527 4.256 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 4333608 LNWZRXBEWIKHQJ-NRFANRHFSA-N 418.424 4.008 30 40 HIEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)OCc3ccccc3)ccc2C1=O 9048475 DPLNDZDKRXNZLQ-QRVIBDJDSA-N 416.429 4.434 30 40 HIEB COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC 12323402 CPKRKWKPOREKEX-VOJFVSQTSA-N 424.482 4.128 30 40 HIEB Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 12599164 SHZZUEIXTJFUOW-GYHWCHFESA-N 420.538 4.206 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1nc(C(F)(F)F)nc1N2 19960041 BCORQVMMTVMBEE-DIFFPNOSSA-N 418.350 4.445 30 40 HIEB O=[N+]([O-])c1ccc2c(c1)[C@@H](C#Cc1ccccc1)[C@H]1CCCC[C@@]1(N1CCOCC1)O2 33322306 SKBBHBNUUXAXJS-GZGNHOFSSA-N 418.493 4.341 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 102581791 NUZQLUPBSUQMIH-GHNGSUTGSA-N 414.845 4.470 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224846788 WCTIUEMHJUDCDP-UHFFFAOYSA-N 415.511 4.161 30 40 HIEB O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(I)o2)c1 408859827 ZQHRKFSUOGZTPQ-NSIKDUERSA-N 420.988 4.306 30 40 HIEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1OCC(C)(C)C 409343090 HNNWDCZYRSVATM-UHFFFAOYSA-N 421.497 4.146 30 40 HIEB CO/N=C/NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 5209455 LIQFDYXDGORKSA-OAQYLSRUSA-N 406.869 4.409 30 40 HIEB CC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 6763844 JAPNLOKHOPLFKB-QGZVFWFLSA-N 405.863 4.232 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21 9166945 HBRXBPPEPJPEET-UHFFFAOYSA-N 414.527 4.042 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(Cl)cc2)cc1 9331614 XVXKRKVTOPHLQJ-VFNWGFHPSA-N 406.873 4.356 30 40 HIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2 12391691 ABXOXHZYVKDATD-BFUOFWGJSA-N 408.845 4.408 30 40 HIEB C=C(C)CN(CC)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C 14196481 JKXGOOMPHXTHPJ-UHFFFAOYSA-N 419.597 4.240 30 40 HIEB CC(=O)c1cccc(NC(=O)NCCNc2nc3cc(C)c(C)cc3cc2C#N)c1 35312855 QFJQYPYNKQWSGD-UHFFFAOYSA-N 401.470 4.160 30 40 HIEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 102577452 JBCZOOCWUOIERW-FQEVSTJZSA-N 401.466 4.129 30 40 HIEB CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1C#N 107866488 CSYCQJNIQCTUAT-UHFFFAOYSA-N 416.930 4.197 30 40 HIEB COc1ccccc1N1CCN(C[C@H](S)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 247882432 RLRPQSHQFUGEOP-UFYCRDLUSA-N 406.636 4.347 30 40 HIEB CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408709131 OWOVMECHCAMGOD-UHFFFAOYSA-N 423.557 4.340 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)ccc1OC 408839941 BNWIPXZCBKPWIS-LJQANCHMSA-N 409.869 4.480 30 40 HIEB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F 408953097 LNVGDEHCUGYEMP-AWEZNQCLSA-N 424.272 4.051 30 40 HIEB CCOc1ccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 409050178 ZXRHXCIGICGPCV-BEGRVCHPSA-N 422.484 4.311 30 40 HIEB CCOc1ccc(Br)cc1/C=N/n1c(S)nnc1-c1ccccc1 409061626 YQARYSTXRJZKQX-YBFXNURJSA-N 403.305 4.277 30 40 HIEB COC1=C(Nc2cccc(C)c2C)C(=O)C(OC)=C(Nc2cccc(C)c2C)C1=O 1680329 KUEKKYFASWTLSJ-UHFFFAOYSA-N 406.482 4.312 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(F)c1 4632289 DYJCGMVNITUZFN-GOSISDBHSA-N 403.475 4.281 30 40 HIEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)n2)CC1 4889189 QXYCLHDTKLARHL-UHFFFAOYSA-N 410.525 4.260 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O 6582993 KUIYVZDFNNSHHE-ZDUSSCGKSA-N 400.525 4.273 30 40 HIEB COc1ccc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2ccncc2)C3=O)cc1OC 6661494 NEQJCXGWASBFPZ-NHDPSOOVSA-N 417.417 4.243 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2)cc1 6784010 MHGUBNIZXBMTRT-GOSISDBHSA-N 406.463 4.325 30 40 HIEB Cc1ccc2c(C)nc(N/C(=N/C(=O)c3ccccc3)NC(=O)c3ccccc3)nc2c1 9479937 VKUCBRZKXSPKAR-UHFFFAOYSA-N 423.476 4.285 30 40 HIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(OC(F)(F)F)cc1 13552682 STSYHGIVJKIXGY-UHFFFAOYSA-N 417.412 4.425 30 40 HIEB C=CCn1c(SCCC23CC4CC(CC(C4)C2)C3)nnc1[C@@H]1CCS(=O)(=O)C1 21999582 IYZIYUYMZRVXML-IGDKPHCXSA-N 421.632 4.065 30 40 HIEB N#Cc1c(-c2ccccc2)nc(SCc2cc(Cl)c3c(c2)OCCO3)[nH]c1=O 24747159 SEJCVUUBCODACD-UHFFFAOYSA-N 411.870 4.025 30 40 HIEB C=CCOc1cccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)c1 59435679 SPNUIUNPEXBHMO-XLNRJJMWSA-N 403.478 4.167 30 40 HIEB N#C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(OCc2ccccc2)cc1 69744301 USUKLMIYFVLPPF-JOCHJYFZSA-N 410.433 4.310 30 40 HIEB O=C1CN2C(=C1c1nc(-c3ccc(F)cc3)cs1)NC(=O)c1ccc(Cl)cc12 102164408 FCWFXVRGENUCEA-UHFFFAOYSA-N 411.845 4.104 30 40 HIEB Cc1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)c(Br)c1 409366913 XHAXPFUJRRBWES-UHFFFAOYSA-N 424.254 4.315 30 40 HIEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)ccc1OCc1ccc(C)cc1 955865 BRUGPHIQNSYXMD-QHCPKHFHSA-N 416.481 4.196 30 40 HIEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)c1 1266129 AVADDCRMIZBMJY-MHWRWJLKSA-N 419.300 4.358 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1 2383334 SGJFZACUEXWCAW-UHFFFAOYSA-N 415.316 4.264 30 40 HIEB C/C(=N/OCc1nc2c3c(C)c(C)n(-c4cccnc4)c3ncn2n1)c1ccccc1 6671656 PKZDJYYTTVAMLV-NTFVMDSBSA-N 411.469 4.021 30 40 HIEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1O 7350155 BFRFNIRNPUWVDP-BQYQJAHWSA-N 416.271 4.186 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccc1OC 9204982 WSTYOYPSIFKZCT-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 9664299 WJQZSOAUVDCVOY-UHFFFAOYSA-N 419.868 4.434 30 40 HIEB C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC)c3ccc(Cl)cc3)ccc2c1=O 10918970 FDRZWKLRDZYZPZ-KRWDZBQOSA-N 413.930 4.406 30 40 HIEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1c(C)cc(C)cc1C 12654759 FUILCMGMVAMXAX-UHFFFAOYSA-N 411.527 4.347 30 40 HIEB COc1cccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)c1 20558864 KRZUWSKIKRGRNF-PXLXIMEGSA-N 420.490 4.181 30 40 HIEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C(C)C)cc2)C3=O)CC1 22575557 FAMGBHBYCZSLIS-HAHDFKILSA-N 406.526 4.269 30 40 HIEB N#Cc1c(NC(=O)COc2ccc(F)cc2)sc2c1CCN(Cc1ccccc1)C2 23153882 VYUZQACVJQIDOX-UHFFFAOYSA-N 421.497 4.335 30 40 HIEB CCN(CC)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32682599 DAGVDJLGFSRTQO-SFHVURJKSA-N 414.918 4.168 30 40 HIEB CC(=O)Nc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984124 RTJDDJGAQIRHRJ-UHFFFAOYSA-N 418.474 4.295 30 40 HIEB N#Cc1ccc(CNC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 56992611 VHOLDKGLCOJXPT-UHFFFAOYSA-N 416.447 4.041 30 40 HIEB CCCCCCCCCn1c(N/N=C(/C)CCCC)nc2c1c(=O)[nH]c(=O)n2C 97968813 LDDFPIKNRBANAA-JLPGSUDCSA-N 404.559 4.152 30 40 HIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218499328 ZCYJWCYGXRGRLL-FHWLQOOXSA-N 410.322 4.480 30 40 HIEB C=CCOc1cc(Br)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409098060 PGQLGBVQTWEMSK-RGVLZGJSSA-N 421.251 4.162 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C1=O 409132305 NUHNNUHIPQNNTO-ZHZULCJRSA-N 423.538 4.266 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O 409134305 OAYJJRNFCFNKLP-SMEDBKPVSA-N 423.538 4.265 30 40 HIEB CCCCn1cc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)c(C)n1 585295018 YENJMWSQVPJORT-QFIPXVFZSA-N 416.533 4.129 30 40 HIEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(C(C)C)cc1 2434864 CJVMMRHJBDAIEE-MZJWZYIUSA-N 422.492 4.486 30 40 HIEB C=CCn1c(SCC(=O)N(CC)C2CCCCC2)nc2sc(CC)cc2c1=O 3396182 MNJPLQARNFHMIT-UHFFFAOYSA-N 419.616 4.480 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2scc(-c3ccco3)c2c1=O 3416827 UOBYMAFESCUMBQ-CYBMUJFWSA-N 417.556 4.157 30 40 HIEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@@H]2c3ccccc3O[C@]13CCCC[C@H]23 4041865 HCKWLIFVKPDIEV-DYZUWXGSSA-N 402.494 4.332 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 4541128 SYIFRDFPEPSQCR-FQEVSTJZSA-N 405.406 4.216 30 40 HIEB CN1CCc2c(sc(/N=C/c3cc(Br)cc(Cl)c3O)c2C#N)C1 4739508 PMSAQXOWNGJUNL-IFRROFPPSA-N 410.724 4.480 30 40 HIEB CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1 9466216 OKMMNNRKPSPKNQ-CQSZACIVSA-N 417.947 4.352 30 40 HIEB C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 9883732 RFCROXZUAILQAD-GOSISDBHSA-N 424.482 4.436 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1OC 12345708 KVLXBFSMPVASJF-KMXBQNHCSA-N 423.553 4.456 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(Cl)c2)cc1 18219426 SGRHVPCUQMXMHC-BTYIYWSLSA-N 406.873 4.356 30 40 HIEB N#Cc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 23893825 DADBNWJPIQQQQP-UHFFFAOYSA-N 404.397 4.072 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S 59192205 QGNUNQASQQGSTH-AQTBWJFISA-N 411.504 4.302 30 40 HIEB N#Cc1cc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1Cl 95992986 FABKQDLMETVMTH-UHFFFAOYSA-N 411.870 4.265 30 40 HIEB CCC/C(Nc1ccc(Br)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100162975 UKDJPIJTVLYLOU-FYPAKXHLSA-N 422.319 4.273 30 40 HIEB COCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccc(OC)cc1 408932998 GLNFAHGVSZKWBF-BLFRMDKKSA-N 411.527 4.012 30 40 HIEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(C(C)C)cc2)cc1OC 902884 GCOCNAIABHBUQO-HSZRJFAPSA-N 423.509 4.354 30 40 HIEB O=C(C[n+]1c2n(c3c(F)c(F)ccc31)CCCCC2)c1ccc(OC(F)F)cc1 3207995 NZJYRWRXACSPSI-UHFFFAOYSA-N 407.387 4.418 30 40 HIEB N#CCCN(C(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1 4779029 KEJYDVAVZKHZTJ-FMIVXFBMSA-N 402.372 4.209 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)cc1 13751672 METFVEQLPDBOOE-DYESRHJHSA-N 420.538 4.213 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Nc2nncc3ccccc23)cc1 30955042 JQAXDCPWCMYSSO-BUVRLJJBSA-N 417.494 4.185 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1ccncc1)CO2 54333117 USTOQMTXDYFQLN-NHDPSOOVSA-N 402.425 4.497 30 40 HIEB C#CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 216830668 KRDWGVXXYODEGF-UHFFFAOYSA-N 407.235 4.356 30 40 HIEB Cc1ccc(-c2ccc3nnc(C4CCN(Cc5ccccc5C#N)CC4)n3n2)cc1 306141750 WFIAXMXINJTQER-UHFFFAOYSA-N 408.509 4.351 30 40 HIEB COc1ccccc1N(CCC#N)C(=O)CSc1ncnc2sc3c(c12)CCC3 2639878 DSWPFSQARYJZIO-UHFFFAOYSA-N 424.551 4.228 30 40 HIEB C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccccc2)C1 4837326 KZKWECNOANXDFR-CMKODMSKSA-N 413.525 4.036 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccccc1OC 6076844 HXENPOBQESGYAJ-INIZCTEOSA-N 420.538 4.210 30 40 HIEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([C@H](C)CC)cc1 6541011 PXXZBXYXOKLRCJ-MRXNPFEDSA-N 407.539 4.294 30 40 HIEB O=C1Nc2ccccc2/C1=N/N=C1/NC(=N/c2ccccc2)/C(=N/c2ccccc2)S1 8399248 FLGOOTRMXLCLNG-LVWGJNHUSA-N 424.489 4.496 30 40 HIEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)no1 8996651 ZKNXEMNJMYWAMQ-GOSISDBHSA-N 410.813 4.125 30 40 HIEB CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1 13423913 ZXNUUBZDMKXHKN-ZABCRHKISA-N 411.527 4.292 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 40139164 ATZPJICSWXGOMJ-GOSISDBHSA-N 404.495 4.337 30 40 HIEB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cn(CCC#N)nc1-c1ccccc1 49581327 RKGGBTHVFCMTMR-MDZDMXLPSA-N 417.425 4.114 30 40 HIEB Cc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3C)N(C)C2=O)cc1[N+](=O)[O-] 408931593 NQKUJBNIGGRUSC-VGGFPCPZSA-N 411.439 4.144 30 40 HIEB C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 3227287 BJMYLHMGWIASHB-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB COc1cccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)c1 4802901 PLSTVYFMDHSYJD-LFVRLGFBSA-N 417.509 4.251 30 40 HIEB CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1nnc(C)s1 6078574 XVWIDTXYFKWWQT-WRKNTWFWSA-N 423.976 4.494 30 40 HIEB C#CCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811880 GYAWSTAQCKLYLB-SRZZPIQSSA-N 407.695 4.247 30 40 HIEB COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1 14094364 DXDLPPFQPNAQIX-MRXNPFEDSA-N 414.465 4.258 30 40 HIEB Cc1sc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 17087404 HVCSFLDSJWXOSE-KJWXAFIESA-N 406.507 4.385 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 19926883 XHQIUWIFGGRLJP-KRWDZBQOSA-N 423.296 4.116 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 408591469 UDWIBTVBBQYOEG-LNWNWJNUSA-N 419.912 4.135 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 801589 QCOKIUCGLKMJNG-FQEVSTJZSA-N 420.490 4.320 30 40 HIEB O=C(NCc1ccco1)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 2288721 RSXJMQHDMINYSZ-UHFFFAOYSA-N 400.250 4.118 30 40 HIEB N#CC1(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)CCCCC1 4292664 MTWVNTIZFGZJHL-UHFFFAOYSA-N 415.522 4.470 30 40 HIEB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 4386943 PCROMNAQUTYGCC-WNSKOXEYSA-N 416.525 4.000 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OC)cc1 4919745 UDDBGFGIXKNNJO-XXBNENTESA-N 410.466 4.032 30 40 HIEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H]1CCOC1=O 6079129 RQODTOQPYWCBNJ-LJQANCHMSA-N 407.495 4.118 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(CC)s3)ccc21 9167002 ZOAJHXUQLPEKIY-UHFFFAOYSA-N 420.556 4.049 30 40 HIEB N#Cc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 10738264 ZHQKOJXHUVLOKI-UHFFFAOYSA-N 403.887 4.042 30 40 HIEB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)c1 57999360 HSKCYUWMNBVJQN-DRGFOCDESA-N 411.527 4.292 30 40 HIEB C#Cc1cccc(N(CC(=O)NC)C(=O)CSc2cccc3cccc(Cl)c23)c1 58265033 FRXXZWCZYGHLAG-UHFFFAOYSA-N 422.937 4.346 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc1 100191444 ZYWRCULWWOOINP-KEBDBYFISA-N 424.329 4.045 30 40 HIEB CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/C1CC(C)(C)NC(C)(C)C1 102514557 PCYFGQCVSWGZFI-OEAKJJBVSA-N 413.522 4.167 30 40 HIEB N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2cccc3ccccc23)[nH]c1=O 5095379 FLJPLYHXEYXFTH-UHFFFAOYSA-N 412.474 4.193 30 40 HIEB O=c1oc2ccccc2c(O)c1[C@H](C/C(CCN1CCCC1)=N/O)c1ccccc1 18204012 WGWBUASVGLDXKO-VXCWRXKNSA-N 406.482 4.337 30 40 HIEB CCCc1ccc([C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)cc1 24527782 BNUYKXTZYVZDNX-JOCHJYFZSA-N 405.546 4.135 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 102873866 AJSDTIPUPLRZCF-JBCNATCCSA-N 409.482 4.234 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)NC1=S 223517512 SHIAOEDTSJUXBE-UNOMPAQXSA-N 423.582 4.218 30 40 HIEB CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n[nH]1 408527102 KUYLXWCUBDIFLB-LLVKDONJSA-N 403.577 4.182 30 40 HIEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 408722198 FDULVRJEGBQRHY-XDOYNYLZSA-N 405.366 4.307 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c2ccccc21 408770902 CFHWMNJBQOQASN-ODLFYWEKSA-N 405.479 4.014 30 40 HIEB C=CCc1cc(/C=C\C(N)=O)cc(OC)c1OCc1ccc(Br)cc1 409416188 WXRZMZQWGXYJSO-YFHOEESVSA-N 402.288 4.264 30 40 HIEB COC(=O)c1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1 1081801533 KUNIPLHOIJFHHR-YDDPGSGASA-N 416.385 4.123 30 40 HIEB Cc1[nH]c2ccccc2c1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 4199556 JQQLCKJYGSZBKT-LFVJCYFKSA-N 418.549 4.088 30 40 HIEB CC1=C/C(=N\C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C(C(C)C)=CC1=O 4746891 AUWOHNJOUSEWOW-LNKNBHAJSA-N 406.507 4.375 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1OC 5477797 BUBOSIAIOKWCDQ-UHFFFAOYSA-N 416.453 4.149 30 40 HIEB COc1cc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC(F)F 6053595 DSWPLWSNBZBOAH-QYMMWASNSA-N 404.413 4.013 30 40 HIEB C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 8846062 RTECBJSFCFKHLU-QHCPKHFHSA-N 424.456 4.498 30 40 HIEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 9665409 NHAMJGWDUUWLCD-UHFFFAOYSA-N 418.836 4.238 30 40 HIEB C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1OCc1ccccc1Cl 13897948 DQZDYRJIJVFJEB-WQRHYEAKSA-N 412.873 4.227 30 40 HIEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 20130042 MMECPSKSAARMQF-QGZVFWFLSA-N 420.248 4.046 30 40 HIEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C(=O)O)cc1 35656932 PRNMRGLWPWAGQY-JSDDMWTDSA-N 402.859 4.368 30 40 HIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cn(-c3ccccc3C)nc2-c2ccccc2)C(=O)O1 102500545 CXWYBTCPRCXKBD-MDRMPYQZSA-N 412.445 4.076 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1cccc(Cl)c1 409144408 LCIUULJHLGSEQM-JNVMQLBYSA-N 420.896 4.450 30 40 HIEB CCc1ccc(NC(=O)C[C@H]2CC3=C(C[C@H](c4ccsc4)CC3=O)NC2=O)cc1 1548338239 PDYLGFLEPONLPP-DLBZAZTESA-N 408.523 4.176 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 3516206 XPWIMULDDMVFMA-CYBMUJFWSA-N 417.600 4.062 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 3596370 DBUYZDZALSPNPN-UHFFFAOYSA-N 415.478 4.189 30 40 HIEB Cc1ccc(C)c2nc3c(cc12)CN(CCN1CCOCC1)/C(=N\CC(C)C)S3 4969518 XHRXRIPLEYHNLG-WCWDXBQESA-N 412.603 4.104 30 40 HIEB N#Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 6760752 BCMKDWHKBXMDHP-GDBMZVCRSA-N 401.348 4.260 30 40 HIEB N#Cc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 7752124 PMDUGWNGBRESDE-UHFFFAOYSA-N 403.388 4.497 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1 28629522 AXWOCZBERRGNBA-HXUWFJFHSA-N 400.434 4.182 30 40 HIEB CCOc1ccc(NC(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 35311134 XUXYOWHJULVTJX-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB COc1ccccc1-c1n[nH]c(/N=C(\O)C[C@H]2c3ccccc3C=CN2C(C)=O)n1 48333347 YUUCOVIMDFRMRM-SFHVURJKSA-N 403.442 4.033 30 40 HIEB O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=N/n2cnnc2SCc2ccccc2)c1 59489950 YYOBRHWAHMXFRE-OEAKJJBVSA-N 422.514 4.351 30 40 HIEB C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(OCC)ccc21 100875912 APEXWNAZBUPJOY-VZCXRCSSSA-N 415.312 4.238 30 40 HIEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C(=O)O)cc1 409190980 XOMNVPZVDYWOSW-YDZHTSKRSA-N 421.409 4.327 30 40 HIEB COc1ccccc1/N=C(\O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F 3024575 BVMWXOOEDAFBND-HUUCEWRRSA-N 420.506 4.137 30 40 HIEB COc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)c1 5014497 OULIQQKPNPYBDP-QHCPKHFHSA-N 418.493 4.310 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 5408621 JQZYNMAWONNQIA-JOCHJYFZSA-N 414.461 4.259 30 40 HIEB O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 6829277 MUMORWSGJQAVHM-FMIVXFBMSA-N 409.429 4.386 30 40 HIEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl 12569198 ZBCBQJTWAFTWLR-GFCCVEGCSA-N 407.779 4.222 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cccs4)sc3C)cc21 19820249 QDRAOKHMDKESKN-UHFFFAOYSA-N 411.508 4.344 30 40 HIEB COc1cc(OC)c(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c(OC)c1 19882221 LTQOQUMAKDNOGK-YZSQISJMSA-N 419.525 4.017 30 40 HIEB COc1ccc(/C=C2/S/C(=N/c3ccc(Br)cc3)NC2=O)cc1OC 35644678 AEWVTJVTHIHIPO-MHWRWJLKSA-N 419.300 4.358 30 40 HIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 46668056 CXHBUPFGBAXNEE-QVKFZJNVSA-N 401.422 4.221 30 40 HIEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1Cc1ccco1 95953386 MRMKPJPJPJBBSS-AWEZNQCLSA-N 413.528 4.044 30 40 HIEB C=CCN(c1ccc(C(=O)N(C)Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224368817 ZOPZXAWTPKPQPV-UHFFFAOYSA-N 420.534 4.340 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 1451103 JXJBWCVCIFYUKS-SFHVURJKSA-N 410.451 4.226 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O 2310239 DMPZHJYYMQYHKJ-HEHNFIMWSA-N 405.523 4.044 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 5444581 RLFXEELXLYYRCX-IFMALSPDSA-N 421.493 4.151 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 6111587 QGMGCYADBPDYSM-ZDUSSCGKSA-N 417.600 4.062 30 40 HIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 6463480 XXSMWGUQUYCKFA-MFOYZWKCSA-N 403.228 4.007 30 40 HIEB COc1cc(/C=N/Nc2ccc(Cl)cc2)cc(I)c1O 6490535 UQHOELBVBVYGQV-CAOOACKPSA-N 402.619 4.105 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 9271443 VWIPZACKCZIOQI-FQEVSTJZSA-N 416.389 4.083 30 40 HIEB CCN1C/C(=C/c2cccc(OC)c2OC)C(=O)/C(=C/c2cccc(OC)c2OC)C1 12648656 RFNXRLVGGAQWGE-LRVMPXQBSA-N 423.509 4.093 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)CCC3)n(C[C@@H]2CCCO2)c1C 14202186 JVDNHZCIVGPWLO-IBGZPJMESA-N 409.555 4.375 30 40 HIEB O=C(/C=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 33714935 PVFIAQAYMRGDHZ-LFYBBSHMSA-N 420.328 4.130 30 40 HIEB CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCc1ccco1)C2 49171717 NBCGGQWNHLRMCW-VXKWHMMOSA-N 403.526 4.176 30 40 HIEB biogenic,in-vitro COc1cccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)c1 100369474 DIHRNRVTJYJMFG-DVCONVQISA-N 417.918 4.247 30 40 HIEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-c3cccc(Br)c3)s2)C(=O)O1 102500428 DIVNLISLGNQJOO-SUQGKYDKSA-N 417.280 4.406 30 40 HIEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccccc1Cl 225870960 PUNRQKPTMOSCCN-UHFFFAOYSA-N 409.896 4.109 30 40 HIEB CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 408729867 DSOPDYYWPZEMJB-HSZRJFAPSA-N 414.461 4.439 30 40 HIEB Cn1cc(/C=C2\SC(=Nc3ccc(Cl)c(C(=O)O)c3)NC2=O)c2ccccc21 408814075 REWSETFNEXISSC-IUXPMGMMSA-N 411.870 4.422 30 40 HIEB CC/N=C1\S/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(=O)N1CC 408853096 LLAWAQKPQKCOQH-YKQZMZHDSA-N 423.538 4.325 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OCC#N)cc2)C1=O 408996540 IPJPRRYXBHEHLL-JXAWBTAJSA-N 406.463 4.133 30 40 HIEB Cc1ccc(-n2nc(C)c(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1C 409000929 ZBKHBCOAGBVPHH-NHDPSOOVSA-N 408.418 4.368 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1OC 4919287 FFSVXIKTDLQMPE-DENIHFKCSA-N 410.466 4.032 30 40 HIEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 8654658 OMZNYQYYUHKPGL-OAHLLOKOSA-N 404.495 4.045 30 40 HIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 9233613 RMHBEAPSVMTRKC-LZYBPNLTSA-N 415.268 4.263 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(OC)cc1 13805428 KGWKWZUEHMYQJI-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 17092483 WIFCKXHMDYGNCN-QPKDIWSISA-N 420.896 4.450 30 40 HIEB CC(C)CCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32828726 FSPVPPAHNCLINX-IBGZPJMESA-N 412.490 4.265 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1C 33737274 RQZDTVTYYBLGHH-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(C(F)(F)F)Nc3ncnn32)c1 36612264 NJLYHJVMFAJLRY-MRXNPFEDSA-N 418.350 4.140 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 104076943 SBEFTTPXCQKISB-NHFXJNLRSA-N 418.380 4.360 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c(OC)c1 408859098 WJCJFDABWSWJJA-IUXPMGMMSA-N 404.875 4.257 30 40 HIEB CCN(CC)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 1624178 XFNBSBJDRCRHLM-QFFDILLMSA-N 402.538 4.297 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC)cc1OC 4943510 JTDBYVWXMOEUMM-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB Cc1nc2c3ccccc3nc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2n1 10889982 XEVRFNFWOHXJTF-UHFFFAOYSA-N 411.494 4.244 30 40 HIEB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 12998301 LLWTWEATNJHZGZ-UHFFFAOYSA-N 420.513 4.087 30 40 HIEB Cc1cc(C)cc(NC(=S)/N=C(/NCc2cccnc2)Nc2nc(C)cc(C)n2)c1 14157654 DWZRHWNKHDTUMM-UHFFFAOYSA-N 419.558 4.060 30 40 HIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 19770490 ZODWQFAIAWXTOV-MHECFPHRSA-N 402.494 4.395 30 40 HIEB C=C1C[C@]23CC[C@@H]4[C@@](C)(CC[C@@H](O)[C@@]4(C)COC(=O)CCC(=O)O)[C@H]2CC[C@H]1C3 85957663 QRCWTENDAKYOOH-QARKWDFESA-N 404.547 4.334 30 40 HIEB CC(C)c1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(F)cc3)c(=O)c2C#N)cc1 409205307 HANMGDQRTOFBCU-XGICHPGQSA-N 403.413 4.235 30 40 HIEB O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Br)cc1 5569376 WAHDXJLQTFJSPD-MNDPQUGUSA-N 409.692 4.379 30 40 HIEB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 7007823 BZXIFVXFYJHNMH-JOCHJYFZSA-N 400.434 4.412 30 40 HIEB COc1ccc(-c2nc(C)c(C(=O)OCCOc3ccc(C#N)cc3)s2)cc1OC 10694705 YZYLZZQFQLJFKS-UHFFFAOYSA-N 424.478 4.243 30 40 HIEB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 11395239 ITOKENMIHBNWCW-KRWDZBQOSA-N 406.511 4.308 30 40 HIEB CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1I 12463528 UIDAKQLJJKJYEN-YBEGLDIGSA-N 421.259 4.474 30 40 HIEB C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 12799923 IITUARXNGRPMTQ-UHFFFAOYSA-N 406.935 4.203 30 40 HIEB C=CCn1c(C2CC2)nn(CN2CCc3cc(OCC)c(OCC)cc3C2)c1=S 14184718 MWGNFFQUPLXCQG-UHFFFAOYSA-N 414.575 4.291 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NCc1ccco1 20503258 HJNKOSYASXICPJ-DEOSSOPVSA-N 417.465 4.169 30 40 HIEB CC(=O)c1c(C)nc(C)nc1SCCC(=O)Nc1sc2c(c1C#N)CCCC2 40050093 GYZCWXFJNFUZLI-UHFFFAOYSA-N 414.556 4.229 30 40 HIEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C(CC)CC)cc1 40158092 RQCKJRYNPZOXQC-LJQANCHMSA-N 406.573 4.120 30 40 HIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1ccc(F)cc1 408752102 FLGUFJKJQYNQNH-VGOFMYFVSA-N 422.235 4.388 30 40 HIEB C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 408928427 BDENZKATIWCULT-LDADJPATSA-N 413.271 4.107 30 40 HIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 409042658 NYWAVMBLQNLHAJ-JNYQPBIVSA-N 400.478 4.016 30 40 HIEB COc1cc(/C=N/n2cn[nH]c2=S)cc(Br)c1OCc1ccccc1 935723 WHRYCRVMUFKRMH-AWQFTUOYSA-N 419.304 4.173 30 40 HIEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 1378528 IHSYHSYXSLQGSS-SFHVURJKSA-N 418.950 4.010 30 40 HIEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)ccc2OC)C1=O 4562123 GMSYKMHLPXSKLN-AQTBWJFISA-N 411.479 4.247 30 40 HIEB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8325528 GDLSVYHQWXVJGC-LBPRGKRZSA-N 416.576 4.110 30 40 HIEB N#Cc1c(SCCC(=O)Nc2nccs2)nc2c(c1C(F)(F)F)CCCC2 9423055 FBGJDXHGYVKYDR-UHFFFAOYSA-N 412.462 4.428 30 40 HIEB C[C@@H]1CCc2c(sc3nc(SCCC(=O)Nc4ccccc4C#N)nc(N)c23)C1 12523526 BQPJWLJXWWXCNM-GFCCVEGCSA-N 423.567 4.391 30 40 HIEB COc1ccc(/C=N\N=C(/C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 16954704 VZSDEQMVYWGOPL-KMWNPZEMSA-N 402.450 4.419 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1OC 97105078 PHSGAVAEYCAKBB-CVDCTZTESA-N 410.466 4.032 30 40 HIEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1cc(Cl)cc(Cl)c1 408536583 SDUSXZJAACELHL-AWEZNQCLSA-N 410.644 4.248 30 40 HIEB CC(=Nc1cc(C)c2oc(=O)sc2c1C(C)C)NS(=O)(=O)c1ccccc1 585152475 MYRZUTKZLPFLMZ-UHFFFAOYSA-N 404.513 4.315 30 40 HIEB COc1cc(/C=N/N=C(\C(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC 2165252 PGWBKJVMKSZZTR-DDUHHROPSA-N 402.450 4.419 30 40 HIEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)cc1 4700754 LIIMBIKTHGAITJ-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 5045101 SKJJTXFWXAQTKV-OAHLLOKOSA-N 412.294 4.280 30 40 HIEB CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(OC)c3)S2)cc1 5234001 TWIDYLAPDLEPDY-VRMLFSPKSA-N 411.527 4.038 30 40 HIEB Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cc(C)ccc3C)[nH]c(=O)c2C#N)cc1 5238325 GIZQQLYKEVERBU-INIZCTEOSA-N 418.522 4.353 30 40 HIEB CCOc1cc(/C=N/Nc2ccccc2)cc(I)c1OCC#N 8399734 RAYGNEIGWDRTOC-UDWIEESQSA-N 421.238 4.038 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 9019640 YLXRWNZLMJFFAH-FQEVSTJZSA-N 418.405 4.275 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2nc3ccccc3n2C)cc1 18118592 BKSJDIKBPLJBRB-HZHRSRAPSA-N 404.495 4.433 30 40 HIEB C#Cc1c(F)c(F)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(F)c1F 89261876 LPRWPFVJOQUIMM-UHFFFAOYSA-N 417.362 4.221 30 40 HIEB O=S(=O)(/N=C(\O)c1cc(Cl)ccc1Br)c1ccc(F)cc1F 97465363 SANHLRGKJBKQJC-UHFFFAOYSA-N 410.623 4.074 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 102876792 LPPAWBSGQKRXBI-YDJIHCHBSA-N 407.397 4.049 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccccc2)C1=O 409050838 AYMATLUCSUYEBK-VBKFSLOCSA-N 413.882 4.202 30 40 HIEB C=CCOC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 2304455 CHWMQTOIJVJGNH-UHFFFAOYSA-N 423.270 4.261 30 40 HIEB Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/Cc1cccc(C(F)(F)F)c1 3833270 GBVUHUFJZWEFST-FOKLQQMPSA-N 404.348 4.020 30 40 HIEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(O)c(OC)c2)C1=O 4688343 MOGPFFQDIKEEOD-PDGQHHTCSA-N 411.479 4.253 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OC)c1OC 4943855 WUEGCEPRIQTDIY-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB COc1ccc([C@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@H]2C(C)=O)cc1OC 4952147 UKYUDHVJWJPQCG-CCDWMCETSA-N 423.509 4.103 30 40 HIEB COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 12408551 WYJVGZPFKSOWPD-NSPYISDASA-N 424.482 4.128 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 12581781 QDNFJMWBIOQMLM-HXUWFJFHSA-N 406.438 4.232 30 40 HIEB COc1ccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)cc1 12857691 LAMPGSVUNWXPIX-LLVKDONJSA-N 415.565 4.498 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1 14067753 FREIYBHXSZHHMF-UHFFFAOYSA-N 407.524 4.472 30 40 HIEB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cccc(C#N)c4)ncnc23)cc1 71328149 BRQQMAGGLORVRP-UHFFFAOYSA-N 415.478 4.236 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 102401960 YTDSKJXBGPEFGA-IBOXJLQUSA-N 411.508 4.349 30 40 HIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225819741 GNQYGRUSMPAXQU-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB CC(C)OC(=O)COc1ccc(/C=N\c2cccc(I)c2)cc1 409187430 QGSUYHVCOCYYAU-JAIQZWGSSA-N 423.250 4.372 30 40 HIEB CCOC(=O)c1sc(NC(=O)COc2cc(Cl)ccc2Cl)c(C#N)c1C 783739 SZUFXQWIWFQVRT-UHFFFAOYSA-N 413.282 4.429 30 40 HIEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3411083 QKYPTAVXSDYBID-UHFFFAOYSA-N 418.824 4.075 30 40 HIEB COc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccccc3)cc2OC)cc1OC 4113855 JPTUFZFKUKUANC-BUVRLJJBSA-N 406.438 4.378 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O 7641689 MHBJHTONLGPZBX-UHFFFAOYSA-N 403.463 4.153 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 17160238 LRGISZXPXMCQQS-OAQYLSRUSA-N 403.434 4.375 30 40 HIEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 25072953 CSVGRSQMIOSNER-UHFFFAOYSA-N 414.465 4.381 30 40 HIEB COc1ccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)cc1 59387020 SVARHSHFWRHUGB-UHFFFAOYSA-N 403.279 4.088 30 40 HIEB CCCCCCCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc12 97952944 ACROZDUMOYOBBE-INIZCTEOSA-N 410.518 4.473 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C3\C[C@@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 100986974 JCIGLNNBGVGJTH-AIKFZXANSA-N 412.559 4.113 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccncc2)cc1 102495204 KMQSODATMKZSDM-JBCNATCCSA-N 402.425 4.151 30 40 HIEB COc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 408576006 QDDYYBLYIFJVIK-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Br)ccc21 4813954 RTECWRJKUGXFQO-NRFANRHFSA-N 414.299 4.059 30 40 HIEB O=C1COc2ccc(C(=O)/C=C/c3ccc(OC(F)F)cc3OC(F)F)cc2N1 5109476 WCOCJATWJVCXHH-GORDUTHDSA-N 411.307 4.116 30 40 HIEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 5376890 FOMNLBOVNPCYDI-DHDCSXOGSA-N 406.385 4.384 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 14087988 NNJXXQYZIVEODN-KRWDZBQOSA-N 408.527 4.013 30 40 HIEB CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3ccc(OC)c(OC)c3)o2)cc1 20195891 LCZNQYDDZYEXNP-MFKUBSTISA-N 408.454 4.264 30 40 HIEB O=S(=O)(c1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1)N1CCCC1 27020374 HYXKXTPRWXOZGH-KGENOOAVSA-N 412.540 4.041 30 40 HIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 33599359 VLTZBCSODGHKBY-UXHICEINSA-N 421.298 4.231 30 40 HIEB C#CCSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)c1 96011127 HAFMJAUYIMWJPQ-SFHVURJKSA-N 420.538 4.205 30 40 HIEB CC(C)Oc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102374335 HRGFPDWRPHQPAX-MRJHHRETSA-N 418.449 4.084 30 40 HIEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc(Br)c1O 108948423 QYQGDMLNPRUDLL-FCWFZMKMSA-N 411.302 4.038 30 40 HIEB C#CCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1OCC 408607311 JVHTUWRBMIWJKF-UHFFFAOYSA-N 404.260 4.170 30 40 HIEB C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC=C)C2=O)cc1OC 409075211 PTAVETJPYJBWTQ-GXDHUFHOSA-N 410.289 4.245 30 40 HIEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1Cl 409193551 GJWFVMKSZUNTQT-UITAMQMPSA-N 409.804 4.074 30 40 HIEB CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OC)cc3C2=O)cc1 2027588 XUTZLPZRDNEEID-UHFFFAOYSA-N 423.465 4.401 30 40 HIEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6561255 RZHKMSDRPNNJMJ-MDWZMJQESA-N 414.483 4.056 30 40 HIEB C=CCn1c(=O)c(CCC(=O)Nc2ccccc2)nc2cc(C(F)(F)F)ccc21 6755151 SUWBMBOPJVOJHM-UHFFFAOYSA-N 401.388 4.173 30 40 HIEB CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2/C(S)=N/C)cc1 13524379 RIKRPBVIRUJBCW-IBGZPJMESA-N 400.544 4.160 30 40 HIEB CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3cccc(Cl)c3)n2)cc1 13584206 WPMIXVPWDVVQBN-RGVLZGJSSA-N 420.947 4.160 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)c1 17251661 JDLOKLRSGOCTMR-HXUWFJFHSA-N 404.397 4.012 30 40 HIEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 32656973 BDZPXMRVTYPHEG-LJQANCHMSA-N 416.481 4.216 30 40 HIEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(C)nc4ncnn34)c2C#N)C1 36619131 LRMMYUWTTFMMCS-ZDUSSCGKSA-N 408.531 4.159 30 40 HIEB CCOc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc(Br)c1O 46192345 FGWUQSRTZYLOMC-VXLYETTFSA-N 419.304 4.357 30 40 HIEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 46668051 CXHBUPFGBAXNEE-YCRPNKLZSA-N 401.422 4.221 30 40 HIEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 48301318 SYCYTXDUUVVCOC-JOCHJYFZSA-N 406.413 4.083 30 40 HIEB CCOC(=O)/C(=C/c1ccc(C#N)cc1)C1=Nn2c(nnc2C2CCCCC2)SC1 89978005 QBOIYNWVZKBOAE-LDADJPATSA-N 421.526 4.154 30 40 HIEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC 408781067 QZWGAXRJJRWGRE-QGOAFFKASA-N 410.857 4.134 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc(OC)c1OC 2254277 QLSQAHDIHODFRP-CXUHLZMHSA-N 404.875 4.257 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 5887715 XEDNLLASPXYBHX-JOCHJYFZSA-N 417.436 4.352 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC 8991615 ZWMXQRMLABGXJR-ZHRRBRCNSA-N 417.465 4.353 30 40 HIEB Cc1occc1-c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccccc1 9127442 RZDJFEFIYQUPBT-UHFFFAOYSA-N 421.507 4.500 30 40 HIEB COc1ccc(CC(=O)Nc2cccc(C#Cc3cccs3)c2)c(OC)c1OC 12767145 CTTRIKLAFOGYII-UHFFFAOYSA-N 407.491 4.355 30 40 HIEB COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccncc1)C3=O 13735017 OSHUHONOHDKOCE-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 16726029 WMXKHPTZKWEUTO-GFCCVEGCSA-N 417.897 4.438 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccc(O)c1 16995870 JAIRQOSLYKKREF-FQEVSTJZSA-N 402.454 4.289 30 40 HIEB C=CCSc1nnc(NC(=O)COc2ccc(Br)cc2Cl)s1 23117468 FSWWPBCHDVGOJQ-UHFFFAOYSA-N 420.741 4.250 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 23866552 DLWDBMQXYIMCSW-UHFFFAOYSA-N 405.885 4.430 30 40 HIEB Cc1ccc(S(=O)(=O)N2CC/C=C(\Br)C(=O)c3ccccc32)cc1 31716785 LSTOUBIKVMZENT-SOFYXZRVSA-N 406.301 4.056 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 33011225 KQGCBUJUHIDUTE-UHFFFAOYSA-N 420.450 4.268 30 40 HIEB CC(C)=CCC[C@]1(C)C=C[C@@H](OC(=O)C=C(C)C)[C@](C)(O)C=CC(=O)C(CO)=CC1 253671136 GYXPHGPELZUVGI-PZUNEJSGSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro COc1ccc(-c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1OC 2424880 UJXQSKAFPILBCA-UHFFFAOYSA-N 424.888 4.210 30 40 HIEB CN(C)Cc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(CN(C)C)c1O 5843074 KHLXXSIJHPFZPM-YHYXMXQVSA-N 417.347 4.174 30 40 HIEB O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2ccccc2)N1c1ccccc1 9667504 HBGPCBZZRFSQQG-XKXPVHLMSA-N 408.504 4.253 30 40 HIEB C=CCNC(=O)[C@H](C)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC 12925782 ZZONTPGPMOHZQQ-INIZCTEOSA-N 404.466 4.170 30 40 HIEB O=C1C=C/C(=C(/c2ccc(O)c(Cl)c2)c2ccccc2S(=O)(=O)O)C=C1Cl 16448889 QXTPRQZMDKBTAI-XDHOZWIPSA-N 423.273 4.356 30 40 HIEB in-vitro N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1cccc(O)c1 20840568 JDZNGMLJFZXPIK-UHFFFAOYSA-N 420.881 4.408 30 40 HIEB Cn1c(SCC(=O)N(CCC#N)c2ccccc2F)nc2cc(Cl)ccc21 44049977 BJADKPYRPDONNJ-UHFFFAOYSA-N 402.882 4.405 30 40 HIEB N#C[C@H](/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2[nH]1 102580073 ZSHAXRLYKMDXPY-TZBHCYISSA-N 406.492 4.110 30 40 HIEB aggregator C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223746771 HPBIXZFBFLCHGJ-UHFFFAOYSA-N 401.528 4.176 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc21 5619043 SLPVLNYKBXTEGI-ZDUSSCGKSA-N 412.471 4.258 30 40 HIEB Cc1ccc(NC(=S)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1 8687576 UOZCTSROCDXSMF-LFVJCYFKSA-N 418.570 4.410 30 40 HIEB CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 8827568 UDCQHKSPVXWESK-HXUWFJFHSA-N 422.437 4.456 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1ccccc1C 9569620 FRBCNPAFYBSZMW-QGZVFWFLSA-N 411.527 4.141 30 40 HIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 12787452 QZOROLVHCJNUMN-UHFFFAOYSA-N 422.558 4.195 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 40139163 ATZPJICSWXGOMJ-SFHVURJKSA-N 404.495 4.337 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccccc1F)C3=O)CN(Cc1ccccn1)CO2 54333116 VOZLECAEAXOXJE-NHDPSOOVSA-N 402.425 4.497 30 40 HIEB Cc1ccc(-c2cnc(CO/N=C(\N)c3cccc(Cn4nc(C)cc4C)c3)o2)cc1 79065245 WFMNZMRYQJBGDK-UHFFFAOYSA-N 415.497 4.349 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 101231665 YKXXRLDJDNAROH-GHNGSUTGSA-N 412.283 4.365 30 40 HIEB C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224659113 IFJNDECCYACECU-UHFFFAOYSA-N 423.918 4.215 30 40 HIEB C#C[C@@H](NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1F 1584733085 KLGIENZUBUMYPQ-NHCUHLMSSA-N 412.892 4.340 30 40 HIEB CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1O 780230 SEPMZICKAWDUQV-UHFFFAOYSA-N 401.890 4.488 30 40 HIEB N#Cc1ccsc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 3287982 HJVZXQJKLCHPGL-UHFFFAOYSA-N 405.479 4.232 30 40 HIEB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1N/C=C/C(=O)C(F)(F)F 3300729 LCRRRJGZCOYZCG-ZHACJKMWSA-N 417.343 4.151 30 40 HIEB Cc1cc(C)nc(SCc2nnc(SCC#N)n2-c2cccc(Cl)c2)n1 4091952 DCNVKEXNTXSSAA-UHFFFAOYSA-N 402.936 4.236 30 40 HIEB CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 4889133 WMVWANYBUHFNCK-ZNVYLOEZSA-N 411.527 4.338 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 5446058 RPXLYXKELRGIKK-ICSRJNTNSA-N 411.885 4.406 30 40 HIEB CN/C(=N\c1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 6014711 PIGAIGVVNVDOOT-HNNXBMFYSA-N 408.310 4.266 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 6606110 MMPBPQAQRLFWFE-CQSZACIVSA-N 410.476 4.106 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2cccc(C)c21 32103287 MAOYIVCQNIDFTL-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222801027 JGAADHJDOFXUAO-HNNXBMFYSA-N 421.324 4.092 30 40 HIEB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1I 409105014 HQCSAUBPPCPURD-IFRROFPPSA-N 421.160 4.160 30 40 HIEB COc1ccc(/N=C2/S[C@H](Cc3cc(OC)c(OC)cc3Cl)C(=O)N2C)cc1 409143193 VUGGNIWVUIXALW-HYHOCUEZSA-N 420.918 4.170 30 40 HIEB CCc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@H](c4ccccc4C)CC3=O)NC2=O)cc1 1548338383 WNYBPGMGQKZYQK-OALUTQOASA-N 416.521 4.423 30 40 HIEB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 649424 QZOVOCZXHDTJLS-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB O=C(Nc1ccccc1I)C(F)(F)C(F)(F)C(F)(F)F 2317889 CTYGKSNFBUDKEV-UHFFFAOYSA-N 415.046 4.063 30 40 HIEB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(C#N)cc1 3359411 IWPHXYYRMDDULE-JTQLQIEISA-N 424.092 4.489 30 40 HIEB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(F)cc3)CC1=O)N2 5390583 WQKLYXWMBMBGKK-ASSNKEHSSA-N 410.399 4.420 30 40 HIEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)o1 5445393 ACVFVQSAKNMGLS-CNHKJKLMSA-N 400.609 4.404 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3OC)n2)cc1 5880192 WIIAWRJOAKWFFU-UHFFFAOYSA-N 405.479 4.368 30 40 HIEB CCOc1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc(Cl)c1OC 6623577 GXADMWUXKJARDH-GDNBJRDFSA-N 411.841 4.490 30 40 HIEB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccccc1C#N 7061859 QFKYMAMTDJDBRK-UHFFFAOYSA-N 410.861 4.078 30 40 HIEB Cc1ccc2nc(C)c(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2c1 12982927 IDVLHBDCXIOTRC-QHCPKHFHSA-N 402.473 4.013 30 40 HIEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 13573548 AQCNGPUKCSXFSZ-AWEZNQCLSA-N 419.293 4.117 30 40 HIEB CCOc1cc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc(OCC)c1OCC 16047586 CTZBLEMWHYMNRX-UHFFFAOYSA-N 422.441 4.057 30 40 HIEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 19938573 MSLCLGULPLBSTA-OAQYLSRUSA-N 410.489 4.054 30 40 HIEB C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 36493787 HCKWLIFVKPDIEV-BBNRHVKASA-N 402.494 4.332 30 40 HIEB biogenic CCCCCCCC1CCC(C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)OCC)CC1 97995711 JFVAUINRNGPAAE-XVAXZDLZSA-N 424.626 4.364 30 40 HIEB COc1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(OC)cc1Cl 101667669 PDXFACFKNXMTLL-CNHKJKLMSA-N 415.627 4.484 30 40 HIEB COc1cc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931076 GWOPAKUBCZHIRN-FYJGNVAPSA-N 405.292 4.054 30 40 HIEB C[C@@H](Oc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O)C(=O)O 409276189 OSSIZCOWHZLCLF-MRXNPFEDSA-N 419.481 4.178 30 40 HIEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(C#N)c1C 4570307 PUBWQFTWWWVIMW-ZDUSSCGKSA-N 417.556 4.052 30 40 HIEB C=CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccncc1 5314043 MDTUHLDEQZVOKG-UHFFFAOYSA-N 400.891 4.243 30 40 HIEB C=CCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10365738 JHDLKGIKZNSOME-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB Cc1nc(C)n([C@@H](C)CC(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)n1 19285667 VXTUAORIPBZKDH-SFHVURJKSA-N 415.541 4.265 30 40 HIEB N#Cc1cccnc1N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1 70929370 HXOBGNYLNNQJEY-UHFFFAOYSA-N 424.504 4.224 30 40 HIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(OCC(=O)O)c2)S1 408858880 QNYBTYNPZFAIFI-PXNMLYILSA-N 402.859 4.003 30 40 HIEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OCC)c1O[C@@H](C)CC 409408061 WQHMJGWBNGGRRD-SUWURHHDSA-N 422.525 4.132 30 40 HIEB C#CCCC1(CCC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)N=N1 1615612200 CUOAEBZOOHGVAM-FQEVSTJZSA-N 403.461 4.389 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 4538188 OHMKVEWWMYBGEC-OAQYLSRUSA-N 416.433 4.018 30 40 HIEB O=C(/C(=N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1)c1ccccc1 5560644 ZQYIBTDEUCKAKP-LVPJLCKRSA-N 401.378 4.030 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 6813573 TVJUWSBWUAFMJB-IEBWSBKVSA-N 415.848 4.236 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)n2C)n(C2CCCCC2)c1C 8133080 PQKPTWGYWWBKFA-UHFFFAOYSA-N 412.563 4.219 30 40 HIEB C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1[C@H]1COc2ccccc2O1 12979058 ZGBQEXBAFIRURG-CZUORRHYSA-N 413.503 4.165 30 40 HIEB CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc(C(C)=O)c1C 13954004 ZSRXGRAHMWFYCQ-UHFFFAOYSA-N 423.306 4.207 30 40 HIEB C/C(=N\N)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841703 WROAEXIOBUXXSI-SNTYSYFZSA-N 419.525 4.067 30 40 HIEB C=CCn1c(N)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 32779016 AMCKXMIBPQKORW-AWEZNQCLSA-N 420.542 4.293 30 40 HIEB CCN(CC)c1ccc(/C=N\NC(=S)N/N=C/c2ccc(N(CC)CC)cc2)cc1 33731160 VUDOPSLDLNMJFU-KGOJTIBSSA-N 424.618 4.211 30 40 HIEB CCOc1ccccc1NC(=S)NCCNc1nc2cc(C)ccc2cc1C#N 35312180 SQZGDAJWRKYUBC-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB N#CCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1Br 137703413 CRJYVFRNSGMKBR-GKUHGLMJSA-N 420.313 4.226 30 40 HIEB C#CCOc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OCC 408594096 FLOCJDGTGDJPJL-YDZHTSKRSA-N 413.271 4.282 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Br)C1=O 409068753 VCFKGXSLXLARSX-OQLLNIDSSA-N 412.305 4.469 30 40 HIEB Cc1ccc(Cn2cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)cc1 409219982 SIQPAMPLSRLSBV-GZXLVABHSA-N 409.489 4.139 30 40 HIEB C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 2113515 WICYXEAXRWSZRP-NRFANRHFSA-N 420.494 4.269 30 40 HIEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 4894812 RHUGTLOWCCMJCV-FYJGNVAPSA-N 406.354 4.168 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 6813931 SXTHGNOVKHOEQK-HXUWFJFHSA-N 400.390 4.378 30 40 HIEB CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc([C@H](C)CC)cc1 17082912 UNMSFMDUYTVQNO-GTOLFZDISA-N 404.532 4.310 30 40 HIEB C=CCOc1ccc(C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 72347880 PMQJRSBFSBGVHP-UHFFFAOYSA-N 412.873 4.290 30 40 HIEB CC1=NN(c2nc(C(C)(C)C)cs2)C(=O)/C1=N/Nc1ccc(Br)cc1 100006102 XFKRWIDRDUKSRE-KGENOOAVSA-N 420.336 4.394 30 40 HIEB Oc1c(/C=N/Cc2cccnc2)c(C(F)(F)F)nn1-c1nc2ccccc2s1 101636743 OJKXXEATAGCYEZ-AUEPDCJTSA-N 403.389 4.221 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c1 102502486 ACKNUDARGCLQMG-MOBKVPTQSA-N 414.461 4.021 30 40 HIEB COc1ccccc1/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408772428 LNNLWQARGTXEKI-CIAFOILYSA-N 404.875 4.171 30 40 HIEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC 408931027 GFUOGFLNKSRTTK-HNPUNDFXSA-N 411.483 4.486 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1OCc1ccc(Cl)cc1)[C@H]1C=C[C@H]2CC1 409146945 VQEAQCHTVJOICY-WXAOVAFWSA-N 420.896 4.450 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)[nH]c2ccccc12 409286880 RCDSSXQBUHTXGM-UHFFFAOYSA-N 409.287 4.393 30 40 HIEB CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc12 2368850 MBENMSCSPAWAKL-XIXVAHAYSA-N 420.904 4.231 30 40 HIEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 4712089 RULXDUCXEPSFKO-CIAFOILYSA-N 409.402 4.365 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccs2)n(Cc2ccco2)c1C 7606432 FZHGJMADAGUJKW-IBGZPJMESA-N 408.527 4.455 30 40 HIEB N#C/C(=N\Nc1ccccc1Cl)C1=NC(=O)/C(=N/Nc2ccccc2Cl)S1 16450250 LAHICHIPWLMIRF-MNXXMNJASA-N 417.281 4.382 30 40 HIEB CSc1nc(NCCOC(=O)c2ccco2)c(C#N)c(-c2ccc(Cl)cc2)n1 19794146 OUWHOJYGEQDMFZ-UHFFFAOYSA-N 414.874 4.252 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 19898392 JAVVBGNXWZUGRM-OPAMFIHVSA-N 418.449 4.129 30 40 HIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccc(OC)c(OC)c3)c2C)c1 20196223 YJUXYQVOOZOMOT-CVKSISIWSA-N 421.497 4.022 30 40 HIEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(Cl)cc1)OCCO3 35289053 JMOXPKHRKKROJX-UHFFFAOYSA-N 411.870 4.262 30 40 HIEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 54090220 XHUALLGEFGFCAJ-UHFFFAOYSA-N 401.539 4.059 30 40 HIEB CCCCCCCCCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O 70673499 MJTCFFWUUDQIEH-UHFFFAOYSA-N 404.507 4.121 30 40 HIEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)no1 102799323 OTXVYHTVVXLLTK-YDJIHCHBSA-N 418.380 4.495 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 4279866 HDSRFSOLCLKMIT-OAQYLSRUSA-N 416.481 4.317 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 4905344 DHKZXLVMOHSTAD-IBGZPJMESA-N 415.511 4.150 30 40 HIEB Cc1ccc(/C(N)=N/C(NC(=O)c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1 8445292 MAQILBVKIIHFNA-UHFFFAOYSA-N 417.353 4.260 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)ccc1OC 20633253 UYYWSBOFMJOSBR-OAQYLSRUSA-N 405.454 4.072 30 40 HIEB C[C@]1(CCc2ccccc2)CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 79050010 BWHRACMMOFBWDK-VWLOTQADSA-N 402.542 4.041 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 102504140 WMANSRHNQFYKDJ-JBCNATCCSA-N 409.482 4.234 30 40 HIEB C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224607240 NXZPMUBVNILRNS-UHFFFAOYSA-N 423.918 4.297 30 40 HIEB COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1Cl 408748635 BKXYSXCQMUCAJV-FBHDLOMBSA-N 400.778 4.136 30 40 HIEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Br)c1OC(C)C 409063873 AHQVRBHNCJVKMF-KEBDBYFISA-N 423.267 4.384 30 40 HIEB C=CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OCC 409125244 JNQIMARURVADAB-RGEXLXHISA-N 408.479 4.050 30 40 HIEB CCOc1cccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)c1 409281410 DETULMJPQBJYAR-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB N#Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)cs2)cn1 585295124 MNMRMRQWNDKHFH-GOSISDBHSA-N 414.538 5.014 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2OC)S/C1=N\c1ccccc1 992109 FHTZAWCQVARTFJ-ZABCRHKISA-N 409.511 4.150 30 40 HIEB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 2083657 MYADHEDVFULCTL-HSZRJFAPSA-N 403.478 4.277 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 5446184 RPXLYXKELRGIKK-AZUAARDMSA-N 411.885 4.406 30 40 HIEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccs1 8133176 IDYDCUBTISCNAE-UHFFFAOYSA-N 415.569 4.179 30 40 HIEB Cc1ccc(S(=O)(=O)N(Cc2ccccc2C#N)Cc2ccccc2C#N)c(C)c1 9114379 LPHMWRBITXMDRZ-UHFFFAOYSA-N 415.518 4.438 30 40 HIEB COc1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 13370954 MSCRTPOHJCSEKE-LIQPLZLLSA-N 408.310 4.166 30 40 HIEB COc1cc(C#N)ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 9437865 JPBPKPSIRASHEZ-INIZCTEOSA-N 423.519 4.447 30 40 HIEB C=CCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)c2ccccc2F)c2ccccc21 10157828 SSGVMTIOHYHHJC-RUZDIDTESA-N 414.436 4.388 30 40 HIEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 12953916 WKNIBOVGPIQJCU-UHFFFAOYSA-N 422.457 4.433 30 40 HIEB CCOC(=O)C/C(=N/Nc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 16682229 NLUNQAGLAKBYFW-HKWRFOASSA-N 406.236 4.127 30 40 HIEB CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(Br)c2)c(C#N)c1C 16682990 LSZMIOJPAFUCJP-UHFFFAOYSA-N 423.288 4.128 30 40 HIEB Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59399035 HYLCDCWRIWABHF-LPYMAVHISA-N 420.381 4.477 30 40 HIEB C=CCn1c(SCc2ncn(-c3ccccc3)n2)nc2cc(Cl)ccc2c1=O 95457485 ZNLGMGXYNOTWGP-UHFFFAOYSA-N 409.902 4.109 30 40 HIEB CCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 101938445 FTCMORHMLMNSGJ-WOJGMQOQSA-N 403.351 4.036 30 40 HIEB O=[N+]([O-])c1ccc(O)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409034536 ODXPAWLHFVULET-HCDFXORVSA-N 415.221 4.274 30 40 HIEB O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409057146 UMLKDMNEERCNKF-JZJYNLBNSA-N 411.395 4.368 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Br 409279022 GEJGEIHQOPMPGT-UHFFFAOYSA-N 421.092 4.112 30 40 HIEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(-c4cccs4)nn32)ccc1O 4106347 MJGJBBKRIYFIKS-IBGZPJMESA-N 408.483 4.133 30 40 HIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5690643 KAMILXCMBMDGQG-RBBKRZOGSA-N 421.493 4.015 30 40 HIEB COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCC(=O)O 9195322 IZVHHAKQSLPUBP-QPSGOUHRSA-N 417.676 4.243 30 40 HIEB CC(=O)Nc1cccc(Nc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)s2)c1 12537907 VZSAMHZZCPPEIZ-UHFFFAOYSA-N 412.456 4.171 30 40 HIEB COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 15987912 VJOAOOITYCXDLS-CIAFOILYSA-N 404.875 4.171 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)Oc3ccc(Br)cc3Cl)CC2)nc1 24748701 VDBSKGAXBJSMAZ-UHFFFAOYSA-N 420.694 4.191 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cnc4ccccc4c3=O)c2C#N)C1 59315932 GRPDYRHWFPKUEC-AWEZNQCLSA-N 420.538 4.119 30 40 HIEB CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 83868037 KDGNLMNOGAHGDW-UHFFFAOYSA-N 403.442 4.283 30 40 HIEB CN1/C(=C/C(=O)COC(=O)c2cccc(OC(F)F)c2)C(C)(C)c2ccccc21 103112984 UVLJFGXVCRVZDO-XDHOZWIPSA-N 401.409 4.325 30 40 HIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 408752912 LWHHTVCGIOAFCG-VGOFMYFVSA-N 404.791 4.048 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)S2)cc1 408755711 MKVQUJNMSCKCEV-UZNZLNSGSA-N 404.495 4.022 30 40 HIEB CN1CCN(c2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2C#N)CC1 2368289 UMGFUVMVZNOBFS-UHFFFAOYSA-N 408.889 4.197 30 40 HIEB N#Cc1c(NC(=O)CSc2nncn2-c2ccccc2)sc2c1CCCCC2 7986712 RDUJLVRMBUNRTM-UHFFFAOYSA-N 409.540 4.200 30 40 HIEB Cc1ccc(NC(=O)COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 15018818 NSLQOSHHNSHLMB-OEAKJJBVSA-N 404.426 4.367 30 40 HIEB C=CCN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(SC)cc1 224994060 UYLXYIGAPHQMHD-UHFFFAOYSA-N 405.541 4.275 30 40 HIEB Cc1ccc(NC(=O)COc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2)cc1C 409008837 LVZXMNJUNCLVHY-WYMPLXKRSA-N 419.441 4.070 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 409042075 XJGWTULRZRUESL-UHFFFAOYSA-N 423.509 4.162 30 40 HIEB COc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1OC 409125347 LWSDUSZHFDESJB-YVLHZVERSA-N 416.886 4.066 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(N)=O)[C@@H]2c1ccc(Cl)cc1 715085 RXCVJUGGBNEASC-LJQANCHMSA-N 421.928 4.243 30 40 HIEB COc1cc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)cc(OC)c1OC 1036540 CPXZKPGXAQOJAH-UHFFFAOYSA-N 402.406 4.093 30 40 HIEB C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccn2)CC1 4981074 AZEFVNIGUPLSPC-UHFFFAOYSA-N 408.509 4.118 30 40 HIEB N#C[C@H](/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 5072513 CHIOGLDLLODXAU-QXOGVRMXSA-N 400.463 4.048 30 40 HIEB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 6720087 KAMILXCMBMDGQG-IRLDBZIGSA-N 421.493 4.015 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1 6786639 HJLSVEUZVMRVFT-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)c1 12418640 QUQKVDBYFJWZPN-JXMROGBWSA-N 416.456 4.127 30 40 HIEB N#Cc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c23)cc1 71328163 GGUWVVFXEBUGPR-UHFFFAOYSA-N 403.442 4.366 30 40 HIEB CCCCCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O 98045172 ACRLYYFCDPRVMT-IBGZPJMESA-N 406.885 4.151 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102374648 MFEAZSIHDUBVQF-CJKMCJCZSA-N 407.297 4.271 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(F)c2)cc1C 102875775 HNUXTQFQOQRQLY-SELCWUDQSA-N 424.453 4.226 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(C)cc2)C1=O 409054621 UMHDKYUXNNMILV-AQTBWJFISA-N 407.491 4.165 30 40 HIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC 2090506 QLHDHCFVMKTWSB-HXUWFJFHSA-N 413.514 4.261 30 40 HIEB biogenic CCCCCn1c(SCC#N)nc2cc(C(=O)NCc3ccccc3)ccc2c1=O 4602912 WXPCRUKUJWUWNI-UHFFFAOYSA-N 420.538 4.132 30 40 HIEB CC(C)(C)C1CCC(=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)CC1 6298139 YCPAAQHVSIGDGA-UHFFFAOYSA-N 423.565 4.456 30 40 HIEB Cn1c([C@@H](C#N)C(=O)COc2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2ccccc21 9137792 COXCDOBDBFZCMT-JTQLQIEISA-N 419.224 4.044 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 13712714 QYCNNRCMFLYVQT-LJQANCHMSA-N 422.934 4.088 30 40 HIEB COc1ccccc1NC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 20589066 OLTAQNQMKFUGTA-UHFFFAOYSA-N 422.554 4.172 30 40 HIEB C=CCn1c(-c2ccoc2C)nn(CN2CCN(c3cccc(C)c3)CC2)c1=S 25046586 DPWYGOJUBBDJFR-UHFFFAOYSA-N 409.559 4.257 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 32738742 OLUYXUISIKDKSD-FMIVXFBMSA-N 418.474 4.231 30 40 HIEB CCCCOc1ccc(/C=N/c2c(C#N)[nH]c(=O)n(-c3ccc(Cl)cc3)c2=N)cc1 100178817 XNNHYEGKARUAEI-LGGXYAPMSA-N 421.888 4.100 30 40 HIEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 101662475 UCRBYHZHHJXKSS-IBGZPJMESA-N 413.440 4.315 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)SC1=S 408820758 ZSXKLRDMCACMGQ-PDGQHHTCSA-N 412.536 4.268 30 40 HIEB CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nccs2)n1 2343825 YZULTONGEKDECH-UHFFFAOYSA-N 400.451 4.457 30 40 HIEB N#Cc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 2622717 JXQBCYMSBXGBSB-UHFFFAOYSA-N 404.426 4.387 30 40 HIEB O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccc(Br)cc1 4832308 GGGYZBYUCARLCU-MNDPQUGUSA-N 409.692 4.379 30 40 HIEB CCCC/C(=N/N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1)c1ccccc1 4996761 SBOPQPJJHVPDIU-ZVSYKFGMSA-N 408.527 4.197 30 40 HIEB NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 6276852 NQBXRVAOKPBPCH-YDZHTSKRSA-N 406.467 4.297 30 40 HIEB COc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)c1 12285458 QOFSPQIMKQRRSK-HNNXBMFYSA-N 424.309 4.250 30 40 HIEB COc1ccc(OCC(=O)/N=C2\c3ccccc3CN2c2ccc(F)c(F)c2)cc1 12563852 BSHUNWGEGHQBHT-WNAAXNPUSA-N 408.404 4.346 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(OC)c(OC)c4)[C@H]3C[C@H]12 12659790 VYLLNFJEMQLLQV-MAMHGHJKSA-N 413.558 4.150 30 40 HIEB biogenic CC(C)c1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n2)cc1 12695576 NCYJNOVKVWFQJO-AWEZNQCLSA-N 420.542 4.160 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 13162921 PLGIFTQLWILHGZ-QFIPXVFZSA-N 423.509 4.336 30 40 HIEB CCc1ccc(/C(N)=N/OC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 14074972 TYVQQBQBUGZZFR-UHFFFAOYSA-N 404.466 4.314 30 40 HIEB N#CCCSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 95953407 BWVOIEGNJGALKX-SFHVURJKSA-N 405.523 4.173 30 40 HIEB CCCc1nc(S/C(=C\c2ccccc2OCc2ccc(C#N)cc2)C(=O)O)n[nH]1 408630869 DJWYOATZCAQENG-UNOMPAQXSA-N 420.494 4.426 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(F)cc1 409123463 GJEFNKNATVFBDQ-DEDYPNTBSA-N 422.456 4.221 30 40 HIEB CCCCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 2306205 GDNFALKDUOUBJT-UHFFFAOYSA-N 414.575 4.119 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C#N)c1C 2741277 IZMKEISXKGWVAQ-UHFFFAOYSA-N 420.878 4.224 30 40 HIEB O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1)c1ccccc1 4312744 OUUPSQVMZIDSRY-FQEVSTJZSA-N 400.390 4.378 30 40 HIEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 4503277 CWXZRLOBCNAWDL-DEDYPNTBSA-N 413.480 4.158 30 40 HIEB CCC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(=O)CC)n2c(CC)nnc2S1 4518307 PAIBAKNDBODECR-UHFFFAOYSA-N 412.559 4.466 30 40 HIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 5129647 AEMDYDAFWJKGJV-XBXARRHUSA-N 402.288 4.190 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570326 IAWKDSTXODOGQX-LJQANCHMSA-N 408.410 4.066 30 40 HIEB O=c1cc(/C(O)=N/c2nnc(SCc3ccccc3F)s2)c2ccccc2[nH]1 14695545 GVGYDIVAJIPVRA-UHFFFAOYSA-N 412.471 4.447 30 40 HIEB Cc1ccccc1NC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 15859810 IEURTHXLPXPDEG-UHFFFAOYSA-N 410.886 4.414 30 40 HIEB CN(Cc1cccs1)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N 25776787 BBPXRRYFWOJEDB-UHFFFAOYSA-N 406.536 4.342 30 40 HIEB C[C@H](Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)Nc1sccc1C#N 32797168 IPFOKGYGSGNFRO-INIZCTEOSA-N 418.522 4.031 30 40 HIEB N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Br)cc1 62720688 PAFUMMSWQZFNRU-AWEZNQCLSA-N 422.691 4.084 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1 97105063 IMRLHTULDNGDLI-NFBKMPQASA-N 410.466 4.032 30 40 HIEB COCC/N=c1/scc(-c2ccc(Cl)cc2)n1/N=C/c1ccc2c(c1)OCO2 103372104 GWYLTHLLPKQYNS-ZCMVEBIOSA-N 415.902 4.028 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 226662903 WWRXLKKVHLBDIO-OCEBMNGFSA-N 421.500 4.077 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)S2)cc1 408762567 PHYJGYOPWZTFGF-ZDLGFXPLSA-N 413.455 4.066 30 40 HIEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1C 5044532 CVSCQQGMBPUZKT-UHFFFAOYSA-N 405.498 4.192 30 40 HIEB O=C1C[C@H]2c3ccccc3CCN2C(=O)[C@H]1/C=N/OCc1ccc(Cl)cc1Cl 12961074 MOVLVBZQGVQSQG-KXMUCOEASA-N 417.292 4.211 30 40 HIEB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 52660522 MBMAHPOTOBGHEW-CQSZACIVSA-N 411.527 4.489 30 40 HIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)cc(OCC)c1O 100753453 UKHDKNYGRKQJHB-UYAOXDASSA-N 404.514 4.132 30 40 HIEB COc1cc([C@@H]2C(C(C)=O)=C(C)N=C3SCC(=O)N32)ccc1OCc1ccccc1 408719535 SHNKPPNWOIMYMI-JOCHJYFZSA-N 422.506 4.123 30 40 HIEB COC(=O)COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931345 KIUJTJOHBRQKNK-FSJBWODESA-N 423.296 4.132 30 40 HIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(I)c1 409050567 XCAVQPSPVWHGNX-IPKBDRFQSA-N 414.062 4.005 30 40 HIEB COc1cc(Br)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1O 409210356 JXLXGPZHHMXIMO-OBISYWBXSA-N 413.337 4.252 30 40 HIEB CN1/C(=C2/S/C(=N\c3ncn[nH]3)N(C3CCCCC3)C2=O)Sc2ccccc21 4082102 ZXLMTHIQIIBVIW-CQRFWXMASA-N 412.544 4.112 30 40 HIEB CC1CCC(C#N)(N(C)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 8073801 USJDGMFJWKDMSX-UHFFFAOYSA-N 423.586 4.227 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(CC)s3)cc21 9171268 MTGGYFQMRLFISF-UHFFFAOYSA-N 420.556 4.049 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(F)c1 35164384 ORNNQXGJUHUUKO-NRFANRHFSA-N 404.526 4.402 30 40 HIEB COc1ccc(N(C(C)=O)c2nc(/C=C3/COc4ccccc4C3=O)cs2)cc1 96924515 VYIABZIDCCHWQO-PTNGSMBKSA-N 406.463 4.495 30 40 HIEB COc1cc(C)ccc1OC/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 97857687 KBRSQJHKNYXRQN-UHFFFAOYSA-N 410.300 4.096 30 40 HIEB COc1cc(/C=N\O)cc(I)c1OCc1ccccc1Cl 100250272 QDLGTEKHDMGZOD-LSCVHKIXSA-N 417.630 4.340 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 102861680 KOKMHMIJVHRCSI-MRJHHRETSA-N 407.510 4.442 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OCC(=O)OC)cc2)S/C1=N/c1ccc(F)cc1 409249229 JWRSLAULLYMHCU-WNEPPRNQSA-N 414.458 4.001 30 40 HIEB CCOc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C 409255380 HNPOHWUVOCHKCQ-FBHDLOMBSA-N 421.291 4.290 30 40 HIEB Cc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c(C)n1C 409277750 CNIODGSTQNSHLR-UHFFFAOYSA-N 401.308 4.120 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 409349983 VOYBNADCJLGPGP-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1O 4189459 CFFSWIJKYJMZAO-XOJPMGEXSA-N 422.481 4.022 30 40 HIEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4Cl)nc3c2[C@@H]1c1ccco1 5346117 VTGCGEHKVNTOIE-QGZVFWFLSA-N 406.829 4.425 30 40 HIEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1Br 5660664 APWGFMAKYBDRHN-UHFFFAOYSA-N 412.312 4.289 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccccc1OC 6077247 OARKWPNOFWYLGQ-MRXNPFEDSA-N 420.538 4.210 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(O)c1 18197250 CUNNRERFKDZVJT-IBGZPJMESA-N 401.466 4.072 30 40 HIEB N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 48301316 SYCYTXDUUVVCOC-QFIPXVFZSA-N 406.413 4.083 30 40 HIEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1 58179846 NKVOCCWXXCWOKE-UHFFFAOYSA-N 421.478 4.098 30 40 HIEB Nc1oc(-c2ccco2)nc1-c1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)F)o1 101412463 QKBKYMCXIQIEIG-UHFFFAOYSA-N 418.200 4.194 30 40 HIEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 219783969 DTUDWUOVYGVGKT-UHFFFAOYSA-N 401.466 4.219 30 40 HIEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(F)cc1F 3176715 JAUIMANHRDXWMO-UHFFFAOYSA-N 403.841 4.458 30 40 HIEB C=CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc21 5071493 XLFZVFISVVRDJV-OAHLLOKOSA-N 406.511 4.078 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 5409201 DRYURCTXCGSRSC-FQEVSTJZSA-N 406.388 4.138 30 40 HIEB COc1cccc2cc(-c3csc(N/N=C/c4ccc([N+](=O)[O-])cc4)n3)c(=O)oc12 8834664 NOMYRRPDTTYZKO-UFFVCSGVSA-N 422.422 4.279 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1 10131255 JCIGLNNBGVGJTH-MWLXCUSJSA-N 412.559 4.113 30 40 HIEB C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 12749741 QFOADKQIZUBIHN-UHFFFAOYSA-N 411.556 4.043 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c1 17251664 JDLOKLRSGOCTMR-FQEVSTJZSA-N 404.397 4.012 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cccnc1 19138678 UPNNUWSYHBSJAU-OAQYLSRUSA-N 400.434 4.182 30 40 HIEB COc1cc(C(=O)OCC(=O)Nc2c(C#N)oc3ccccc23)ccc1OCC(C)C 23470484 JZCFMHINXJNGMU-UHFFFAOYSA-N 422.437 4.143 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccccc3)c3cccs3)CC2)nc1 24149350 PQHLONYDQJOOIF-QFIPXVFZSA-N 402.523 4.137 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1)CCN(Cc1ccccc1)C2 33317852 VVYCZQFSCWLQNT-UHFFFAOYSA-N 414.534 4.242 30 40 HIEB C[C@](CO)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCCC1 72313601 PAGXJNXUPCWZGT-XMMPIXPASA-N 420.513 4.263 30 40 HIEB C#CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408567130 GOLBFKUPMKSAIC-OAQYLSRUSA-N 422.510 4.315 30 40 HIEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1 408901069 ZVNSTKGWYQWKEC-SSDVNMTOSA-N 404.342 4.008 30 40 HIEB CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409402482 FKCPFLFNVUBFII-UHFFFAOYSA-N 414.421 4.253 30 40 HIEB CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1C#N 1446343 QSIASWUQUQOIQE-SFHVURJKSA-N 416.510 4.380 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 3190553 KSCZUVNEYGVYBC-YCIYHOANSA-N 413.860 4.090 30 40 HIEB biogenic Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N(C)CCC#N 3285458 QRBYMYPUEWCEJI-UHFFFAOYSA-N 421.884 4.393 30 40 HIEB COc1cc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(Cl)c1OC 14359799 KUYYZSGVSYJICD-OLGNCHMPSA-N 402.878 4.074 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1 24672008 AVWVQVZGMPJXSA-JOCHJYFZSA-N 416.562 4.272 30 40 HIEB CCCOc1cccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)c1 102648876 MKVUPVUNAWDYCP-JBCNATCCSA-N 418.449 4.085 30 40 HIEB O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)/C1=C(/O)c1ccccc1 102873088 WPZQLPYCVCYTLS-GOBJLOIFSA-N 400.390 4.221 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 104189196 LXUQGBJYDBENDX-SELCWUDQSA-N 423.469 4.427 30 40 HIEB C=CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl 137981349 KTDBKZXACFDYEA-YBEGLDIGSA-N 403.290 4.329 30 40 HIEB COc1cccc(/C=N/Cc2ccc(C(=O)O)cc2)c1OCc1ccc(C(=O)O)cc1 409186488 CRWKCQBSFGXDQR-AFUMVMLFSA-N 419.433 4.290 30 40 HIEB Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccccn3)c3nc4ccccc4nc23)cc1 2392000 YSKSNCAWDZHKIT-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB CC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1 4275204 PLIIHPVBKJVSGU-UHFFFAOYSA-N 415.518 4.295 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 4699846 GJWXLWAXTZKFCZ-DVCONVQISA-N 417.918 4.329 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl 5716778 JCFAYTRGAQNRCS-AWEZNQCLSA-N 410.297 4.484 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 6311639 ANRWFAGJUXGPID-UHFFFAOYSA-N 405.479 4.026 30 40 HIEB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(OC)cc1 8341156 IJKNJPVTKAVRKY-GGAORHGYSA-N 405.498 4.285 30 40 HIEB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCCOc3ccc(C#N)cc3)c2C)cc1 11372981 DELMPSVTXZCFFP-OUKQBFOZSA-N 415.493 4.364 30 40 HIEB CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCC[C@@H](C(=O)O)C2)n1 12016257 AIZDSTOIEKNCAK-OAHLLOKOSA-N 410.543 4.336 30 40 HIEB CC(C)CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N 12421309 YIYBSODURLOYAI-UHFFFAOYSA-N 424.526 4.102 30 40 HIEB O=c1c(/C=N/C[C@H]2CCCO2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 100700309 WSIPWESFQQVGQE-BRABVMKYSA-N 404.495 4.040 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1C 409338189 FNCMNBXXDIFDDZ-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 4699847 GJWXLWAXTZKFCZ-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC 6294205 GTOJCMDAZRWGNV-OAQYLSRUSA-N 409.482 4.391 30 40 HIEB C[C@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)NC1(C#N)CCCCC1 7106951 LXMKTMFDSPCHPF-ZDUSSCGKSA-N 417.918 4.351 30 40 HIEB C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 8112793 LWQBJYMQZZGFBW-LJQANCHMSA-N 415.898 4.167 30 40 HIEB CC/C(Cl)=N/OC(=O)N(C)c1ccc([C@](Cl)(C(=O)OC)C(F)(F)F)cc1 8445343 UOPSZVFZOUGCJU-LRXPYSHVSA-N 415.195 4.391 30 40 HIEB C[C@H]1CCc2c(sc3nc(SCCC(=O)Nc4ccccc4C#N)nc(N)c23)C1 12523527 BQPJWLJXWWXCNM-LBPRGKRZSA-N 423.567 4.391 30 40 HIEB C/C(=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12)c1cc2ccccc2oc1=O 16137277 HQMQZGQNJPPDTM-WSDLNYQXSA-N 409.419 4.039 30 40 HIEB COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c1 20059086 POAUWOIOHHPANO-IQMFZBJNSA-N 417.509 4.251 30 40 HIEB CCOc1cc(/C=N\Nc2nc(-c3ccc(F)cc3)c(NC(C)=O)s2)ccc1O 32694295 YGCFMVBMODJCJX-JJFYIABZSA-N 414.462 4.458 30 40 HIEB COc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1OC 1354468 UYLBPGJMVALZKQ-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB O=[N+]([O-])c1cc(/C=N/c2ccc3[nH]c(-c4ccccc4)nc3c2)c(O)c([N+](=O)[O-])c1O 3112940 CMEXZRLGVVYVFJ-UFFVCSGVSA-N 419.353 4.208 30 40 HIEB COc1cc(/C=N/N2CCN(C)CC2)ccc1OCc1ccc(Cl)cc1Cl 3257331 SFBSKPOKOVFWGX-YDZHTSKRSA-N 408.329 4.162 30 40 HIEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O 6856104 XZNSRDWLIRRZIW-LICLKQGHSA-N 413.476 4.061 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ncccc2c1=O 12886505 TXLNQLNEJBXSID-AWEZNQCLSA-N 404.495 4.131 30 40 HIEB COc1cccc(/C=N/N2C(=O)CSC2=S)c1OCc1ccc(Cl)cc1 15009106 LCGSCZJWERKHSJ-AWQFTUOYSA-N 406.916 4.122 30 40 HIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 20762990 NKLHAOCFOYJCMP-CVKSISIWSA-N 401.466 4.278 30 40 HIEB O=C(C[n+]1nc(CNc2ccc(F)cc2)n2c1CCCCC2)c1ccc(Cl)cc1 27525209 GNRSSXZHQALQRS-UHFFFAOYSA-N 413.904 4.185 30 40 HIEB COc1ccc(N2C(=O)[C@H](Oc3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 48324974 IBWJODXSBJOKOW-XZOQPEGZSA-N 400.434 4.111 30 40 HIEB Brc1cc(/C=N/c2ccc(N3CCOCC3)cc2)oc1N1CCCC1 59678745 ROUGJJUEVVUSIS-KGENOOAVSA-N 404.308 4.230 30 40 HIEB Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 100631597 BPYADTFERZJERM-HXUWFJFHSA-N 405.523 4.345 30 40 HIEB COc1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)cs3)=C2N)cc1Cl 2664430 SNQIEHKZWYBYOH-UHFFFAOYSA-N 415.877 4.328 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC 5408952 QBZICVFSTIWOLR-NRFANRHFSA-N 409.482 4.247 30 40 HIEB CCN1CCC[C@H](Nc2cc(C)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)C1 5650377 ULEFBGMSKLBBKF-AWEZNQCLSA-N 422.364 4.046 30 40 HIEB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10218535 QXUDDOBWSIKTEO-UHFFFAOYSA-N 416.568 4.390 30 40 HIEB C=CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 10329571 XWUQRLXDKCYLMX-UHFFFAOYSA-N 408.479 4.305 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 35312125 OUEKUZZMNYEMFZ-UHFFFAOYSA-N 406.511 4.302 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102648712 DBXWDZBVCBCMOW-BCTIHFFESA-N 415.848 4.080 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc(I)c1 408740444 KSMGACJKQOXEQC-YDDPGSGASA-N 403.223 4.032 30 40 HIEB C#CCOc1c(I)cc(/C=N/c2ccccc2)cc1OCC 409207919 CPMRPPCDAMCAKR-DEDYPNTBSA-N 405.235 4.453 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 901767 GOIXUJRMCSWTMQ-UHFFFAOYSA-N 404.373 4.358 30 40 HIEB COc1cc(/C=N/OCC(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC 2629346 AOFKFQAUVZRALU-MFKUBSTISA-N 420.465 4.369 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(OC)cc1 4814778 XDQYVTSKXSBXEI-ZDUSSCGKSA-N 415.544 4.024 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 6899494 MMURDXBMNQFPOY-CKEIUWERSA-N 419.978 4.269 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3noc4ccccc34)c2)c1 12924625 URIPZPUHQWJMRJ-UHFFFAOYSA-N 410.429 4.195 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1Cl 14805382 ISUCWBHPHXXDSR-UHFFFAOYSA-N 415.236 4.051 30 40 HIEB C/C(=N\N)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841706 WROAEXIOBUXXSI-ZGFSKAJUSA-N 419.525 4.067 30 40 HIEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)cc1 57176056 AEKBQTLEZGUAHM-SSDVNMTOSA-N 414.461 4.367 30 40 HIEB O=S(=O)(NCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 71415920 ZAYUMAOUIJPPMJ-UHFFFAOYSA-N 401.303 4.342 30 40 HIEB COCCN1Cc2cc3cc4c(cc3nc2S/C1=N/c1cccc(OC)c1)OCO4 100436996 XWRPCFHIFSEPBP-GHVJWSGMSA-N 423.494 4.214 30 40 HIEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1nc(C)cc(C)n1)C(=O)c1ccccc1-2 100859162 ZYQVUOSGBPQPOK-BOPFTXTBSA-N 403.438 4.488 30 40 HIEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224930985 AWGCAQSRZDNFKW-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB COc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)ccc1OCc1ccc(C(=O)O)cc1 408968465 ZBMATMBOUMTEHN-MSXFZWOLSA-N 421.405 4.127 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)OCc3ccccc3)n2)cc1OC 662028 IYEZJHQTFGTLCI-UHFFFAOYSA-N 420.490 4.473 30 40 HIEB C=CCNC(=O)c1c(N)n(-c2ccc(C(F)(F)F)cc2)c2nc3ccccc3nc12 2420025 LSLNUTULSQDUND-UHFFFAOYSA-N 411.387 4.091 30 40 HIEB COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 5348634 JTQBRGPXOSNTLD-YCYNJWQJSA-N 407.499 4.023 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 8369257 VOCYLVGLJZQWBH-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3C(=O)COc4ccccc43)c2C#N)C1 8390925 POXFXFZIOAHXMN-AWEZNQCLSA-N 423.538 4.135 30 40 HIEB O=C1/C(=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccccc1 8440084 TXSKKJJVRHDIQA-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 12259804 HMLAWNFGGBKOIK-NSHDSACASA-N 403.577 4.424 30 40 HIEB CCOC(=O)c1cc(C#N)c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1C 12981782 SIXYAHJBOZCDMB-HXUWFJFHSA-N 423.538 4.284 30 40 HIEB C=CCc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc(OC)c1OC 14068175 FHGNDENBCIEHMW-UHFFFAOYSA-N 419.525 4.224 30 40 HIEB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 22132727 JMGHUWGHODGRLD-HGLKBHAMSA-N 410.465 4.195 30 40 HIEB C=CCOc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 101314073 QSGJJKRQODVVRY-WOOAAIBNSA-N 422.462 4.236 30 40 HIEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 102578340 CZPQGGPVVSKTJT-HXUWFJFHSA-N 415.493 4.375 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102649401 UQLLZIZUNJSCIN-DWEDTRNSSA-N 415.848 4.080 30 40 HIEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)N1CC 408930079 RUYNRFMDWFXKJI-PIJRJAKLSA-N 410.495 4.276 30 40 HIEB CC/N=C1/S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1CC 408932612 YEUKAWUNHBYJCP-LQAKELLUSA-N 408.115 4.117 30 40 HIEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NCc1ccccc1 687790 IVEQMRGHRWGFNQ-UHFFFAOYSA-N 424.595 4.306 30 40 HIEB Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2525282 JOEIRBYDVFVESF-UHFFFAOYSA-N 404.250 4.169 30 40 HIEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Nc3ccccc3)C2)c1 5413572 UDACRKYJOYNLQZ-AZUAARDMSA-N 410.477 4.038 30 40 HIEB biogenic,in-vitro Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\O 5749366 AZKXJPNLKNCEJE-PGMHBOJBSA-N 406.916 4.424 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1 6786575 HJLSVEUZVMRVFT-NRFANRHFSA-N 419.433 4.075 30 40 HIEB O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1C1CCCCC1 8834267 XQBJPMYFJQUWLX-NRTINQSCSA-N 420.581 4.442 30 40 HIEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)c1 12418344 MVJMKQUIMYGXPO-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 13763746 KCCYVUFVGWSCBJ-BUVRLJJBSA-N 417.406 4.164 30 40 HIEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 14091829 WCMSOYUZBHABQR-UHFFFAOYSA-N 422.554 4.411 30 40 HIEB CC(C)Oc1ccccc1/C=N\n1cnnc1N/N=C/c1ccccc1OC(C)C 16575698 BTODORXAEJYSPB-QTYYJASRSA-N 406.490 4.181 30 40 HIEB CCN(CCO)c1ccc(N2C(=S)N/C(=N\c3c(C)cccc3C)C2(C)C)cc1 18283718 OEHRJLPNEGXNJH-UHFFFAOYSA-N 410.587 4.325 30 40 HIEB C=CCOc1ccc(Br)cc1/C=N/NCc1ccc(OC)c(OC)c1 20195690 WZLXBILDAFCLLX-LPYMAVHISA-N 405.292 4.155 30 40 HIEB CC(C)c1ccccc1/N=C1\SCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 32971577 VLOBRYZPKMZHCS-GRTKETMOSA-N 417.600 4.217 30 40 HIEB COc1ccc(NC(=S)NCCNc2nc3cc(C)c(C)cc3cc2C#N)cc1 35312925 ZKWFVCMAWRPJGR-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)CC(C)C)cc1)=C2 62001433 TTWUPOBTIZMVJU-UHFFFAOYSA-N 422.525 4.400 30 40 HIEB biogenic C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95708064 DASVACNPTZCVQR-UHFFFAOYSA-N 404.122 4.454 30 40 HIEB C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224630424 CQHNSVFDNSSHTI-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB C=CCOc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC 408592182 LKPYVXOKRNFUKQ-WSDLNYQXSA-N 401.260 4.445 30 40 HIEB COc1cccc(/C=N/N=C2NC(=O)CS2)c1OCc1ccc(Cl)cc1Cl 408735817 XDNATCCRORLSOQ-ODCIPOBUSA-N 424.309 4.134 30 40 HIEB O=C1NC(=Nc2cccc(I)c2)S/C1=C/c1ccccc1 408748582 FOGWZNMGLGYPQQ-NTEUORMPSA-N 406.248 4.183 30 40 HIEB COCCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)S/C1=N\c1ccccc1 408935813 NWZHYCRPMKTHHO-BLFRMDKKSA-N 410.495 4.098 30 40 HIEB COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@H]2C[C@@H]2c2ccc(OC)cc2)cc1 1389537 DQHSSEBQPVXARH-FQPALTHISA-N 402.450 4.464 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)NC1CCCCC1 4794985 DQKYBXLLMNAMGT-XWAFYUISSA-N 412.606 4.254 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 5625610 RSFYKLYMOGJHHY-JOCHJYFZSA-N 415.445 4.487 30 40 HIEB biogenic N#CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 6549862 IMRJGYLACJOUDH-UHFFFAOYSA-N 403.511 4.184 30 40 HIEB CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 7781180 IDJOPHJFOAAFGP-XXOYWOHDSA-N 411.527 4.454 30 40 HIEB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCOC)cc1 9067671 PPLIYUNJFHVJSW-QFIPXVFZSA-N 423.509 4.181 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 12418586 DCDZSNOJXBZBQI-IZZDOVSWSA-N 416.456 4.127 30 40 HIEB C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1C1CC1 12803044 BOAAQDJCUNIBJL-CQSZACIVSA-N 400.573 4.351 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1OC 13424070 GVTKWFAGOJMVJN-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)c1 18099290 BHZVWXQMJFMEJZ-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 20024365 KMMDACVSABYORU-HXUWFJFHSA-N 412.917 4.178 30 40 HIEB COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 40267429 RPLPAYNXLYNSPB-LHSJRXKWSA-N 418.453 4.066 30 40 HIEB CCCCCCCC1CCC(C(=O)N[C@@H](C(=O)NCC(=O)OCC)[C@@H](C)CC)CC1 97995703 JCJDRNGOGNQUKC-HKEJHHQYSA-N 424.626 4.364 30 40 HIEB COc1ccc(OC)c(N/N=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)c1 100006044 WRSIILFFHXFDDA-LYBHJNIJSA-N 421.482 4.018 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102875036 HBQPFNLKRDMCGG-YDJIHCHBSA-N 420.852 4.063 30 40 HIEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(Br)cc1 224727445 XSLYJJRKXKFOOH-UHFFFAOYSA-N 424.316 4.007 30 40 HIEB COc1ccc(/C=N/c2cnn(C)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3109463 AZAJEOCVELMVLW-BHGWPJFGSA-N 402.376 4.450 30 40 HIEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(CCCc3ccccc3)C2)c1 5413613 CPJRYGCAQMWMTJ-LADGPHEKSA-N 409.533 4.439 30 40 HIEB biogenic,in-vitro CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 7605296 GCRIKWRAMRFDIZ-NSHDSACASA-N 404.561 4.447 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N\CCCCCC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 8618766 KBFXULVQYYEXBE-VOKWCDJLSA-N 414.418 4.013 30 40 HIEB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 9963921 LODQZEDJYJFVGF-UHFFFAOYSA-N 421.478 4.258 30 40 HIEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1 17160015 LAZAXLWGJYLTNH-JOCHJYFZSA-N 422.525 4.005 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F 19973788 OFHMBBSPCGOUKT-LJQANCHMSA-N 416.518 4.197 30 40 HIEB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)[C@H]1c1cccc(Cl)c1Cl 22057511 RZOPKQWAEXIRCY-KRWDZBQOSA-N 423.296 4.248 30 40 HIEB in-vitro C=CCOc1c(Br)cc(CN[C@H](C)[C@H](O)c2ccccc2)cc1OC 22076659 YUXGLRBWMRCTJB-KUHUBIRLSA-N 406.320 4.234 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)c2ccccc23)cc1 408841814 HTQXRHMTDMVZBM-OAQYLSRUSA-N 401.462 4.383 30 40 HIEB Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(C)c(Cl)c3)c(=O)c2C#N)cc1 409195314 HJJHOZQCBKNXOR-NTMALXAHSA-N 405.841 4.243 30 40 HIEB C=CCOc1ccccc1C=Nn1c(CC)nc2ccc(Br)cc2c1=O 409300194 VBFVWZFOEPXQOU-UHFFFAOYSA-N 412.287 4.168 30 40 HIEB N#Cc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Br)c2=O)c1 1354157 UQYWCPZKMPKWJG-UHFFFAOYSA-N 423.270 4.175 30 40 HIEB Cc1cccc2cc(C#N)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc12 4849057 YAWBEFUXLFHLGW-UHFFFAOYSA-N 400.507 4.347 30 40 HIEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 5051296 WFNHNYCJEHMOFY-SMIHKQSGSA-N 422.481 4.302 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCCOC(C)C 8022303 XMGQAIFQKSYAQS-OAQYLSRUSA-N 409.482 4.089 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)cc1 8867760 VVRRZTFMZVBEEG-QFIPXVFZSA-N 419.477 4.330 30 40 HIEB CCc1ccc(N2C(=O)N(Cc3ccccc3C#N)c3ccccc3S2(=O)=O)cc1 9664090 OXVQZBCRZOUOHB-UHFFFAOYSA-N 417.490 4.456 30 40 HIEB O=C1Nc2ccc(Br)cc2/C1=C/C(=O)c1ccc(Br)s1 15016642 XQZFLKDEPFZJRL-TWGQIWQCSA-N 413.090 4.492 30 40 HIEB C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 20624638 UUVNITKCSVJHDM-FBXWPYFKSA-N 407.466 4.215 30 40 HIEB CCCCOC(=O)/C(C)=N/Nc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 26802995 AGQGXIUOYWERFD-SSDVNMTOSA-N 422.576 4.396 30 40 HIEB C=CCN1C(=O)/C(=N/N=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c2ccccc21 33043986 XQZZSIBCBVIMIL-BVNBGYONSA-N 421.863 4.329 30 40 HIEB COc1ccc2nc(NCCCNC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 35312362 BHSBLDXQXRTTDT-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB C[C@H]1Nc2ccccc2C(=O)N1c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 44803157 KDLVVVMCEFJMRJ-HNNXBMFYSA-N 403.482 4.359 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 59500732 KIQHVRJOGGDGBK-UHFFFAOYSA-N 404.443 4.225 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C(C)(C)C)CC1 257342936 ZQRLDTOKERTYAA-UHFFFAOYSA-N 419.569 4.248 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c(OC)cc3OC)S2)cc1 408955731 YUQPUSLFODCBAT-YBFXNURJSA-N 414.483 4.003 30 40 HIEB CCn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccccc1 2619312 UQWRGAYYBQKQTP-UHFFFAOYSA-N 409.490 4.143 30 40 HIEB CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)c1 4114994 OKAULENVERXBAP-NRFANRHFSA-N 409.482 4.009 30 40 HIEB COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 4682464 ZETTYGUKPUEPPM-HLGQQVFSSA-N 417.918 4.247 30 40 HIEB CCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cc(Cl)ccc1Cl 6881950 VVGVHFSSLRZZLT-UHFFFAOYSA-N 419.312 4.154 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCCOC(C)C 8022318 XMGQAIFQKSYAQS-NRFANRHFSA-N 409.482 4.089 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 18066124 DBVRNPDXWGHQKV-OAQYLSRUSA-N 402.425 4.308 30 40 HIEB N#Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 32146895 IZNNOBOHFTVCDK-UHFFFAOYSA-N 411.870 4.265 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)Nc3ccc(F)cc3F)c(C#N)cc2c1 35311147 AHWBVIVUUFTUEQ-UHFFFAOYSA-N 411.412 4.017 30 40 HIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)cc1 100344535 VDAQHGQZVJLSQK-JBCNATCCSA-N 403.409 4.461 30 40 HIEB CN(C)c1oc(/C=N\c2ccccc2I)cc1Br 408844664 IFIDJQZGGXFUOV-PXNMLYILSA-N 419.060 4.463 30 40 HIEB CCN(CC)c1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409288634 IKNXRQJETNBLFK-UHFFFAOYSA-N 413.319 4.196 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC(C)C)cc1 409297351 KHYBTRYINXHSIW-UHFFFAOYSA-N 414.303 4.391 30 40 HIEB Cc1cccc(NC(=O)c2c(N)n(/N=C/c3cccnc3)c3nc4ccccc4nc23)c1 2372289 SKVXFDYLJZEPFV-MZJWZYIUSA-N 421.464 4.005 30 40 HIEB Cc1cccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 2379068 GAOFWHKVGIJRIS-VULFUBBASA-N 412.497 4.030 30 40 HIEB CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 4436367 BVDPEJPCKBSKAZ-GOSISDBHSA-N 414.531 4.065 30 40 HIEB O=c1c2c3c(sc2nc(N/N=C/c2ccccc2)n1Cc1ccccc1)CCC3 4590151 OMDCGIBMDUOHHD-ZVHZXABRSA-N 400.507 4.441 30 40 HIEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1ccc(C)cc1 4599525 DHAWWLQYUZVNEP-CVKSISIWSA-N 424.570 4.467 30 40 HIEB C[C@H](Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)O 4695962 XPXQYTMSYFEEPC-UJFYRASASA-N 402.859 4.084 30 40 HIEB N#CC1(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)CCCC1 5361555 DNAHMJPECSHIQV-UHFFFAOYSA-N 404.539 4.324 30 40 HIEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 8788809 WBSNNTBEDPRXCS-JJFYIABZSA-N 416.385 4.259 30 40 HIEB biogenic COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1C 9313110 WJDCDIDPCJWNCC-FQEVSTJZSA-N 422.412 4.222 30 40 HIEB C=CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1OC 11185604 UONDWFUQDFGUQK-UHFFFAOYSA-N 418.497 4.497 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 13161755 QCFVKESBIREDPN-FQEVSTJZSA-N 407.397 4.206 30 40 HIEB CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)/C1=N\Nc1nccs1 13576816 HVVPWSDOQIRWTH-MOSHPQCFSA-N 402.892 4.111 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c(OC)c1 13653743 OUDWCQGYNVLRIJ-UUYOSTAYSA-N 409.482 4.258 30 40 HIEB biogenic O=C(CSC[C@H](O)CON=C1c2ccccc2-c2ccccc21)Nc1ccccc1 16839762 NLOOTNKDNPPPMO-GOSISDBHSA-N 418.518 4.169 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)n[nH]c1N2 18196412 OFQXZFCOZDAGLV-ZBEGNZNMSA-N 408.439 4.043 30 40 HIEB CN1/C(=C\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(C)(C)c2ccccc21 32688886 DKXBRHMVHSKCKJ-QJOMJCCJSA-N 424.566 4.355 30 40 HIEB aggregator C[C@@H]1CN(C(=O)c2cccc(C#N)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454647 ZODZMMUVEPBIIY-OAHLLOKOSA-N 409.461 4.483 30 40 HIEB COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 100344541 VDAQHGQZVJLSQK-MRJHHRETSA-N 403.409 4.461 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102877606 CDQZVYOQDAXVJR-JBCNATCCSA-N 407.510 4.361 30 40 HIEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2)cc1 112265137 IIPXHJWKMZPJSQ-RSVLZFJFSA-N 400.478 4.105 30 40 HIEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2ccc(Br)cc2)c1N 225843671 CIXNYTSKJYSZKY-UHFFFAOYSA-N 417.694 4.380 30 40 HIEB COc1cc(/C=N/O)cc(I)c1OCc1cccc(Cl)c1 253560322 ARHJWUAFOWKBSO-QGMBQPNBSA-N 417.630 4.340 30 40 HIEB COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408888735 ZTWUVHVRIKJQNN-BUVRLJJBSA-N 424.522 4.203 30 40 HIEB CCCCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 2300014 YATKXEZWVFHDRL-UHFFFAOYSA-N 405.483 4.057 30 40 HIEB N#Cc1ccc(OCCCCCCOc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4181921 BQPLOAZGSWZEOS-UHFFFAOYSA-N 410.386 4.265 30 40 HIEB CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 4275203 WTHANZIQHCOUQY-UHFFFAOYSA-N 411.527 4.346 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](C)CC2=O)N1 4802945 CQJJNDWWVWJGAC-DMZKTXOQSA-N 405.473 4.382 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1cccc(Cl)c1 6785312 VISKNDAJASLFMV-GHNGSUTGSA-N 418.946 4.165 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 8715684 VPWVSDNNPXMRHO-SGTLLEGYSA-N 420.292 4.261 30 40 HIEB C=CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 12347931 MZSQHWYAKRTQPR-OAQYLSRUSA-N 413.477 4.295 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(C)c1 14082182 GDMKLXPBGWAZHT-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB COc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(C#N)c3)nccn2n1 16842076 AECUIJYDUBSBKL-UHFFFAOYSA-N 415.478 4.007 30 40 HIEB COc1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 18140904 IBXKOIFVZYJQKG-SSDVNMTOSA-N 407.451 4.380 30 40 HIEB Cc1cccc(O[C@@H](C)c2nnc(/N=C(\O)c3cc4c([nH]c3=O)CCC4)s2)c1C 19235700 DZIHOTMLTCRDCC-ZDUSSCGKSA-N 410.499 4.108 30 40 HIEB Cn1c([C@@H]2CCCN(C/C(O)=N/c3nnc(C(C)(C)C)s3)C2)nc2ccccc21 19715446 OSRSSQPEWOALJA-CQSZACIVSA-N 412.563 4.190 30 40 HIEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1c[nH]c4ccccc14)N(C)CC3)OCO2 20113902 SFCDKHFGEPUQLE-DUIUGDAFSA-N 404.466 4.107 30 40 HIEB biogenic Cc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)n2c(nc3ccccc32)c1C#N 24949951 YHAVLWMXWUNIBJ-UHFFFAOYSA-N 415.541 4.287 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1F 26459149 DGANLCUBGJSOLR-GOSISDBHSA-N 413.426 4.267 30 40 HIEB C=CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224970509 VLSHDPQISUAFBD-UHFFFAOYSA-N 417.270 4.292 30 40 HIEB Cc1c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc2n1Cc1ccccc1 409354830 AGBMQNKBWCYUCL-UHFFFAOYSA-N 408.461 4.296 30 40 HIEB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C1\C(=O)Nc2ccc(F)cc21 2114336 WSJWKJWXHUGFCC-YPKPFQOOSA-N 407.348 4.058 30 40 HIEB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)cc1 27789310 ORAHGWRWKINQEI-UHFFFAOYSA-N 404.495 4.453 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2nc(Cl)ccc2Cl)C(C)(C)c2ccccc21 32638795 BFKNIXVDZMDZPN-YBEGLDIGSA-N 405.281 4.426 30 40 HIEB CC[C@@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=O)c1ccc(S(C)(=O)=O)cc1 32976288 MBCCHEGVHQHBPN-BSBNDGSWSA-N 422.959 4.399 30 40 HIEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc21 59446052 QCVBGWKFPFQTMV-LSHDLFTRSA-N 403.350 4.432 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102514945 DAGRGPBEWAERFV-SQUHQTGPSA-N 403.887 4.002 30 40 HIEB C=CC(=O)OC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 169795899 DIKGAGYCPGKRQK-UHFFFAOYSA-N 402.106 4.207 30 40 HIEB C=CCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 223393381 YBFPBMGYJBFRSE-UHFFFAOYSA-N 400.525 4.032 30 40 HIEB C=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](OC(=O)C[C@@H](C)CC)[C@@H]12 225452248 VARCUXZWTHLZBR-OYGNADCSSA-N 406.519 4.132 30 40 HIEB biogenic,in-vitro CC(=O)Oc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 408752738 GKWSJFIIPXJKSA-YBEGLDIGSA-N 417.284 4.266 30 40 HIEB COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OCC#N 408987224 FEBOIFIZGZWKEZ-ZDLGFXPLSA-N 413.886 4.451 30 40 HIEB N#C[C@H](C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)c1ccc2ccccc2n1 675906638 AZISEWJXYXGZMY-AWEZNQCLSA-N 410.355 4.342 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 3094433 FHCNSKCOWHBVLT-QFIPXVFZSA-N 413.514 4.405 30 40 HIEB N#Cc1cccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 3264206 WRSYWNGZWDPCOP-UHFFFAOYSA-N 413.644 4.079 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] 4491440 QXBLNYMOZIKTAS-KRXBUXKQSA-N 409.179 4.104 30 40 HIEB COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 5408131 VMUHQUVORUTNKF-IBGZPJMESA-N 415.873 4.289 30 40 HIEB O=C(O)c1ccccc1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 5584432 QAESADKUXUISOU-ZBJSNUHESA-N 406.354 4.066 30 40 HIEB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1OC 6755374 FLVLYPJAXPQKDA-UHFFFAOYSA-N 405.328 4.398 30 40 HIEB biogenic C=C(C)Cn1nc(C)c(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c1C 19577991 OJPYKRBAQKJJTK-SFHVURJKSA-N 423.586 4.267 30 40 HIEB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 19684248 CJJIZPGNBSYIAS-UHFFFAOYSA-N 421.419 4.242 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1ccccc1F 19787407 OFTVBCBSQYSOQJ-QGCDDDHDSA-N 422.500 4.145 30 40 HIEB N#Cc1c(N)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1-c1ccccc1 19832314 ALHAHKARGFYWQR-UHFFFAOYSA-N 415.434 4.139 30 40 HIEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 59104562 KTROJLRYPOLNAW-GSSCTWANSA-N 423.494 4.434 30 40 HIEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 100216232 LVASULVLBUYHEE-XYGWBWBKSA-N 408.498 4.442 30 40 HIEB CCOC(=O)COc1c(/C=N\c2ccc(C)cc2)cc(Br)cc1OC 100916519 NUVHKLTUPBVATC-NHDPSOOVSA-N 406.276 4.459 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 102511933 SIXYKWOKTQTPKK-HOGKFDNTSA-N 406.526 4.102 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc(Cl)c(Cl)c3)o1)[C@H]1C=C[C@H]2C1 104621789 VPDWATYBCXAIKX-KZNCHJHQSA-N 401.249 4.394 30 40 HIEB Oc1ccc(-c2cs/c(=N\c3ccccc3F)n2/N=C/c2ccccn2)c(O)c1 104739021 IXJFBTOJQBLJMG-FOSQEZJDSA-N 406.442 4.277 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(OC)c(OC)cc3Cl)S2)cc1 408880030 IKKPVLPRZQJTAD-MFOYZWKCSA-N 404.875 4.257 30 40 HIEB O=[N+]([O-])c1ccc(Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)cc1 409106008 PWIOUDKAYOLHBE-FSJBWODESA-N 416.397 4.347 30 40 HIEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)S2)c1 409186521 DFGWHJHDGGCICM-UNOMPAQXSA-N 410.495 4.217 30 40 HIEB Cc1c(/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(=O)n(-c2ccccc2)n1C 1083234 JTYNXZRJCCRGMO-ZVHZXABRSA-N 401.422 4.193 30 40 HIEB CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)c1 4189596 LGTHLNMURRWVPX-VQUVXCFPSA-N 406.482 4.316 30 40 HIEB CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238227 ZIUZRRYCOMBTNQ-UHFFFAOYSA-N 404.495 4.163 30 40 HIEB COc1cc(/C=N/OCC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1 5347205 DXIOKYGYXOXRHW-FSJBWODESA-N 404.894 4.193 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(/NCCc2c[nH]c3ccccc23)c2ccccc2)cc1 5445503 VODRAUPVROOPIP-UHFFFAOYSA-N 417.534 4.444 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 5799647 HWYWORFRASVTNG-QFIPXVFZSA-N 414.461 4.259 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5931425 ITVFMEDENRGAKJ-LRDDRELGSA-N 410.543 4.256 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 6160152 GMWVZMSSJHEUJF-HOGKFDNTSA-N 406.526 4.067 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccoc1C 7172173 DAFMVFFDVOYXCZ-UHFFFAOYSA-N 423.542 4.364 30 40 HIEB C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 10587791 GZAKAPQNWRYXMQ-QGZVFWFLSA-N 424.472 4.293 30 40 HIEB N#Cc1cccc(S(=O)(=O)n2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 12638315 RFKHXEUZVSMTMF-UHFFFAOYSA-N 423.881 4.377 30 40 HIEB O/C(CN1CCC[C@@H](COc2ccc(F)cc2)C1)=N\c1nnc(C2CCC2)s1 19658351 AZPAMWKVGAUMRY-CQSZACIVSA-N 404.511 4.324 30 40 HIEB CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 20573512 OLZJHYLHYYAMEX-UZLBHIALSA-N 422.506 4.222 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c1OC 20611525 OHEQYTWSNMRIMD-OFNOZLENSA-N 409.482 4.258 30 40 HIEB biogenic C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CC(=O)NCCC#N 36408764 ATGKMRKYLNBTIH-QAPCUYQASA-N 406.917 4.360 30 40 HIEB O=C1CCCC2=C1[C@@H](c1cccnc1)n1nc(SCc3ccccc3F)nc1N2 96319738 KUKZCCAJDPGMJA-LJQANCHMSA-N 407.474 4.127 30 40 HIEB CCCCCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O 100895076 UYEQFUMHVKCEEB-UHFFFAOYSA-N 423.561 4.107 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 102927193 JRRJXPMTOONDJW-YDJIHCHBSA-N 418.405 4.118 30 40 HIEB Cc1ccccc1OCc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)o1 2797745 XWLZKXYEYLOFMG-ZMOGYAJESA-N 418.453 4.174 30 40 HIEB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CO/N=C/c2ccccc2)cc1 5348698 IXZVLCDYGOFXFS-OTZYPNAKSA-N 413.477 4.424 30 40 HIEB CCCCn1nc(C(=O)N2CCCS/C2=N\c2ccccc2)c2ccccc2c1=O 12538395 SGQDUEXZCRORLF-VHXPQNKSSA-N 420.538 4.463 30 40 HIEB C#CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl 69532297 DCHGIZGAQXRFNB-UHFFFAOYSA-N 400.862 4.111 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1 102649872 CQIAXOFIJQJBDT-YDJIHCHBSA-N 422.843 4.496 30 40 HIEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1 104096811 CGJMHGUAROYXKN-NHFXJNLRSA-N 418.380 4.360 30 40 HIEB Cc1cc(/N=C\c2ccc(N3CCOCC3)c(F)c2)ccc1I 409129261 FPYIPCACUCXTCJ-MTJSOVHGSA-N 424.257 4.326 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)s1 2501855 ZCGXZYCPFPUJEQ-MRXNPFEDSA-N 411.870 4.283 30 40 HIEB O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1c1ccccc1 2637936 MAGWHHLITARTQY-NHKNDPDJSA-N 414.533 4.314 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 4279865 HDSRFSOLCLKMIT-NRFANRHFSA-N 416.481 4.317 30 40 HIEB CCOC(=O)N1C/C(=C/c2ccc(OC)cc2)C(=O)/C(=C/c2ccc(OC)cc2)C1 6340545 LVBGFKBJTWSYKK-LRVMPXQBSA-N 407.466 4.212 30 40 HIEB O=S(=O)(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 17086143 DVMPOJGOGLVDKP-HYARGMPZSA-N 400.887 4.231 30 40 HIEB CCOc1ccc(NC(=S)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 18116574 AYGABAXPRNVTMA-UHFFFAOYSA-N 409.298 4.035 30 40 HIEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 20060655 KNGPQDLOTKUIAX-BUVRLJJBSA-N 403.463 4.492 30 40 HIEB COc1ccccc1NC(=S)NCCCNc1nc2c(C)cccc2cc1C#N 35311131 IOOKKZLAFMIMFR-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@H]3CCOC(C)(C)C3)c(=O)oc2c1 70666671 KUEGNVFMYXBAPX-KRWDZBQOSA-N 413.514 4.063 30 40 HIEB biogenic C=C(C)COc1cccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c1 89914058 DFTMZXPDFNNJGN-FQEVSTJZSA-N 415.559 4.240 30 40 HIEB CC(=O)Nc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1 101503844 HJIZYKOTRVQSPO-MOBKVPTQSA-N 412.445 4.271 30 40 HIEB C=CCOc1ccccc1[C@@H]1NC(=S)NC(c2ccc(Cl)cc2)=C1C(=O)OC 105093768 RBNKSAMSBSHIHY-IBGZPJMESA-N 414.914 4.008 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1 107636386 CRVRSIXBPYBNOU-FOKLQQMPSA-N 409.914 4.275 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222633840 HVBKDQZGQKKLPB-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB CCOc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O 409086307 GTLUHDYEFJZDAK-DNTJNYDQSA-N 414.296 4.072 30 40 HIEB COC(=O)CN=C(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 409279028 HOMBCVKUMOBRGD-UHFFFAOYSA-N 421.293 4.494 30 40 HIEB C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 2299140 TYQGSRXOGLFWAK-XLNRJJMWSA-N 419.550 4.352 30 40 HIEB C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2307582 FOXAUXWXOIMACT-UHFFFAOYSA-N 401.857 4.431 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@@H]2c1ccccc1 2410018 OPLVWUGWFWNJCY-LJQANCHMSA-N 423.476 4.354 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 4736243 CZALCXPXIYXRMF-ZDUSSCGKSA-N 417.535 4.463 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4cccs4)nc13)O2 5346217 UDSHRECAOTXNDH-QGZVFWFLSA-N 400.463 4.384 30 40 HIEB S=C(NCCc1ccccc1)N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1 6161307 YZBWPZGMAYFIMY-SLMZUGIISA-N 413.550 4.217 30 40 HIEB O=C(O)C[C@H]1S[C@@H](c2ccccc2Cl)N(/N=C/c2ccccc2Cl)C1=O 6513726 MGUGVACYUTUXBZ-PVQJYNNTSA-N 409.294 4.445 30 40 HIEB CCc1ccc(-n2c(C)cc(C(=O)Cn3c(C)cc(COC)c(C#N)c3=O)c2C)cc1 7462991 KJEADAZEIWRCHI-UHFFFAOYSA-N 417.509 4.028 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)n(C[C@@H]2CCCO2)c1C 8339519 WJZJCVIFLLEKRI-NZQKXSOJSA-N 420.557 4.104 30 40 HIEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 17082606 BZTKWQNOXFVQLW-DEDYPNTBSA-N 403.301 4.305 30 40 HIEB Cc1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1 19852233 USLSERAJBXEMGM-UHFFFAOYSA-N 405.508 4.175 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)CC2)cc1 21865970 RPZOJRCJAONAKX-ZRDIBKRKSA-N 415.468 4.315 30 40 HIEB COC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)cc1 24522275 HGFCPTKWVVXELI-UHFFFAOYSA-N 412.401 4.366 30 40 HIEB CC(C)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97990131 ABAJBXMVPKATGV-UHFFFAOYSA-N 419.181 4.497 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 100512648 DELPAEGPHPTYTD-LVWGJNHUSA-N 413.437 4.431 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 102696989 XIWVEGHMHWMQCH-GHNGSUTGSA-N 405.841 4.065 30 40 HIEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cn1 225945531 SFRFWMSQXJQQQN-UHFFFAOYSA-N 414.461 4.050 30 40 HIEB N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cn2)cn1 585292836 AWFIVJJHWJCIAM-QHCPKHFHSA-N 409.497 4.695 30 40 HIEB N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2 3294685 UVWCMLJKFVETHX-BQYQJAHWSA-N 420.412 4.322 30 40 HIEB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1cccs1 5047183 UTZYBEHIZHGKJG-ZMOGYAJESA-N 418.526 4.173 30 40 HIEB C[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 6084049 NXEOJVSEBJVAAR-NWDGAFQWSA-N 407.253 4.203 30 40 HIEB C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1OC 8110666 YBWSQYVXEVDJBN-SFHVURJKSA-N 415.898 4.167 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 8759091 ZDWPMUKCEGJGLO-UHFFFAOYSA-N 415.272 4.102 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 12409531 CTYHAQHJOYFTBJ-UHFFFAOYSA-N 402.447 4.108 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 12601217 KJFGAJFHSVESFD-DEDYPNTBSA-N 424.910 4.115 30 40 HIEB C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N\N=C/c1ccco1 13154563 VPSUPNVJUMMGOX-WLASYOMRSA-N 418.316 4.105 30 40 HIEB C=CCn1cnn(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1=S 22504016 YZJDOWVPPQDPOA-JOCHJYFZSA-N 422.554 4.222 30 40 HIEB Cc1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n2c(nc3ccccc32)c1C#N 25251918 SHTGVNJNBCTSIT-OAHLLOKOSA-N 404.495 4.244 30 40 HIEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2Br)OCO3)S1 59459385 VGHQKLDTABBXRG-APSNUPSMSA-N 417.284 4.378 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102535074 WZJCYOPLDMKYIL-YDJIHCHBSA-N 404.853 4.357 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 102540573 WZUIFGAIBOUFMP-IBOXJLQUSA-N 410.253 4.045 30 40 HIEB CN(C)[C@@H](CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 102708331 LDSKNQUMBCLNKY-DRIIDJKOSA-N 422.506 4.066 30 40 HIEB CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(C#N)c1-c1ccccc1 409120115 RQPNLYHGMNNERY-UHFFFAOYSA-N 406.463 4.481 30 40 HIEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1C 409196891 RXDNZVIICIOMAR-NTMALXAHSA-N 405.841 4.243 30 40 HIEB Cc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)cc(C)c1O 409371964 CMYYDYRLODHUHC-KWKLDLJFSA-N 423.538 4.079 30 40 HIEB N#Cc1ncc(C(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 3047603 AQNZMRWZGGRKBR-UHFFFAOYSA-N 400.326 4.317 30 40 HIEB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1OC 4944888 GTJWJKSMJMYWQH-KRWDZBQOSA-N 407.466 4.240 30 40 HIEB COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1OC 4944889 GTJWJKSMJMYWQH-QGZVFWFLSA-N 407.466 4.240 30 40 HIEB CCC[C@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 4953720 HZFOUUWXUMDLRU-ZNVYLOEZSA-N 411.527 4.338 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 6622028 UYZOJXOLJZXZTI-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)cc1 8338950 RCEJUQQHBOOLRO-CMJOXMDJSA-N 417.509 4.333 30 40 HIEB O=C(C[C@@H]1S/C(=N\CCc2cccs2)NC1=O)Nc1ccc2ccccc2c1 12995524 PMHIMWXXAGVYIR-SFHVURJKSA-N 409.536 4.060 30 40 HIEB N#CN/C(=N/c1ccccc1Cl)S[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 13574504 FCGSUMSDJMCHMY-HNNXBMFYSA-N 419.293 4.117 30 40 HIEB CC1=C[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881563 MBTHXFVTPZVMBZ-VABKMULXSA-N 407.558 4.155 30 40 HIEB biogenic,in-vitro COc1cc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1O 100008723 LOUBSQZNMGONGE-HXUWFJFHSA-N 414.498 4.260 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 102514302 RBOABXIOAVVRMY-MOBKVPTQSA-N 416.477 4.276 30 40 HIEB N#Cc1cc2c(nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1)CCCCC2 215705886 GWPWWUURFUMMHG-UHFFFAOYSA-N 406.433 4.367 30 40 HIEB C#CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 409070059 KKRFBVVALGPSDN-UHFFFAOYSA-N 417.505 4.137 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2c2ncnc3ccsc23)CC1 585100030 CSBSOZDGQTXIAJ-HSZRJFAPSA-N 417.538 4.228 30 40 HIEB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 849098 FDHVPWGXQWGQEY-DVCONVQISA-N 417.918 4.247 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC 884530 BNLFMOABZMINGT-COPMAWBXSA-N 411.527 4.292 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 4028481 VYLLNFJEMQLLQV-PWKSBJOCSA-N 413.558 4.150 30 40 HIEB biogenic CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OCC)cc1 4119643 XVWGRZDCGXHLBR-GBXCKJPGSA-N 424.493 4.422 30 40 HIEB Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238230 VTMLPAZFABBFGX-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5886839 BRPYMQXBKFKNIF-ICSRJNTNSA-N 411.885 4.406 30 40 HIEB C=CCn1c(C)cc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)c1C 10255273 HKSQRFNLYJNELJ-UHFFFAOYSA-N 415.540 4.070 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N\NC(=S)Cc2ccccc2)cc1 33715639 IZOVSGGJSRIZCB-KQWNVCNZSA-N 424.547 4.256 30 40 HIEB C=CCN(Cc1ccc(C(=O)N[C@@H](C)CCC)cc1)S(=O)(=O)c1ccc(C)cc1 224479641 YWVCOKNQKLDDHN-IBGZPJMESA-N 414.571 4.290 30 40 HIEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 409087188 GVVDVKSAGLTZQH-CIAFOILYSA-N 424.369 4.386 30 40 HIEB CCCc1ccc(CN2CCCC[C@@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)o1 585294966 WOOFJXHJGKSMQJ-JOCHJYFZSA-N 402.502 4.760 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1 6294608 PSECANMZWVVVCU-LFVOPCPISA-N 416.905 4.005 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 6869753 FBLFXCSIPUMOHZ-RGEXLXHISA-N 409.511 4.211 30 40 HIEB Cc1ccc2nc(C3=C(N)N(c4ccc(OCc5ccccc5)cc4)CC3=O)[nH]c2c1 7995059 DRIUSEOXVJDUQF-UHFFFAOYSA-N 410.477 4.167 30 40 HIEB CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nc1C 29897921 VTTWSVJBFRGBIZ-INIZCTEOSA-N 407.539 4.384 30 40 HIEB C=CCOc1c(Cl)cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 33635757 HHIDWVWZVYKALW-UHFFFAOYSA-N 416.974 4.407 30 40 HIEB O=C1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102800136 JIKMDNCQTCAORB-NHFXJNLRSA-N 418.380 4.360 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)[C@H]1C=C[C@H]2CC1 408728515 NUVHVCNNUXCQEU-HTSDYRHZSA-N 414.383 4.497 30 40 HIEB N#Cc1c(N)nc2c(c1-c1cc(Br)cc(Br)c1O)CCCC2 408980228 PYTDYAQREOQGGS-UHFFFAOYSA-N 423.108 4.312 30 40 HIEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ncnn3C)c2C#N)C1 541820886 KCEJAKRRTFRESV-GFCCVEGCSA-N 403.577 4.020 30 40 HIEB N#Cc1ccc(Nc2nc(C3CCN(Cc4cccc5[nH]ccc45)CC3)cs2)cn1 585295250 RTIFLQVNIJRRBO-UHFFFAOYSA-N 414.538 5.014 30 40 HIEB Cc1ccc(C)c(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c1 1355053 AKWULEVIAGXQGC-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB N#Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1932456 SXBSKTJBUUFXGP-UHFFFAOYSA-N 421.522 4.294 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)cc1 2055211 FFYTXOKELSCCKM-NRFANRHFSA-N 411.498 4.169 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3237585 FRUPNEMEKBNKPU-UHFFFAOYSA-N 405.237 4.010 30 40 HIEB C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 3318808 VAEPUJAIKDCURN-KBPBESRZSA-N 417.600 4.014 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccccc2Cl)c([N+](=O)[O-])c1 9443181 CRGVQZPIHPMWMK-DEDYPNTBSA-N 424.910 4.115 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 13570325 IAWKDSTXODOGQX-IBGZPJMESA-N 408.410 4.066 30 40 HIEB N#CCN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 23866652 KPVKJHUJYGCOFG-UHFFFAOYSA-N 409.294 4.185 30 40 HIEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 27750049 XUCMVFGFYGEUSD-QFIPXVFZSA-N 418.497 4.016 30 40 HIEB N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2cccc(Cl)c2)CC1 38653578 GLGBDRJLDWUPQM-UHFFFAOYSA-N 422.891 4.432 30 40 HIEB CCCC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O 101219151 MJCLIFNCNGDXDK-PNBGARPFSA-N 402.541 4.379 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 102804308 MUEWLLNJFMJXRO-YDJIHCHBSA-N 422.412 4.147 30 40 HIEB C/N=c1/scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(O)c(OC)c1 103371772 NSKZQCFAYIXTAV-CJAWYPNTSA-N 418.316 4.106 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220365386 JIVSPQYIJIIMHX-OAHLLOKOSA-N 422.934 4.006 30 40 HIEB CCOc1ccccc1NN=C1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 299848298 KOCVKGYKBLJEPK-UHFFFAOYSA-N 405.483 4.399 30 40 HIEB Cc1c(Br)c(/C=N/n2cnnc2)c(C)n1-c1ccc(Br)cc1 408856808 LOOZNXXQIOBXMJ-IFRROFPPSA-N 423.112 4.093 30 40 HIEB CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c1O 408937382 QMVXBPIAJSLYCU-YLOFGMNHSA-N 412.511 4.431 30 40 HIEB C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl 5238247 HWSJIYPTZJPCTF-GFCCVEGCSA-N 410.886 4.081 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 6160154 GMWVZMSSJHEUJF-MOBKVPTQSA-N 406.526 4.067 30 40 HIEB Cc1cccc(-n2nnnc2SCC(=O)c2cn(CCC#N)c3ccccc23)c1C 6821502 VYPMGOVEGDWFDT-UHFFFAOYSA-N 416.510 4.123 30 40 HIEB COc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1O 12418351 QBMFHEYOBSFVCN-ZSOIEALJSA-N 410.232 4.335 30 40 HIEB COc1ccccc1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1 12995487 RDYLAVIFDXJKAJ-IBGZPJMESA-N 405.479 4.096 30 40 HIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608164 WFZMNBKPPODYMI-SGTLLEGYSA-N 419.451 4.411 30 40 HIEB C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H]1CCc2ccccc21 47406020 BCCUUJDGMQHFCN-LJQANCHMSA-N 406.486 4.052 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)o2)cc1Cl 100302825 VKBXHIYTVCVTQV-NNNUIAETSA-N 406.869 4.295 30 40 HIEB CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)ccc1O 101315454 CFFSWIJKYJMZAO-YIKPVDIZSA-N 422.481 4.022 30 40 HIEB Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224192944 BPQVQBRKXIXUBU-UHFFFAOYSA-N 419.506 4.139 30 40 HIEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408812316 MQOYVDBOTLAKHV-QPSGOUHRSA-N 418.733 4.402 30 40 HIEB O=C(Oc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccc(F)c1 408884011 SMBILLLRBFHKLQ-WSDLNYQXSA-N 424.344 4.307 30 40 HIEB COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Cl 409296036 GVUDEDLLIWQSJH-UHFFFAOYSA-N 406.667 4.012 30 40 HIEB CSc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205657 KLJUEGBQOJNGPH-SZNDQCEHSA-N 404.495 4.121 30 40 HIEB CCOC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 6599823 LCUJZMQRZJYNML-ROMGYVFFSA-N 412.449 4.082 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2c(c1)OCO2 9290069 QUSNXBIQDNQIPO-UHFFFAOYSA-N 422.510 4.207 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 9358271 XHMNTGHSVPMOLT-FQEVSTJZSA-N 422.412 4.304 30 40 HIEB CSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 9496026 YNMKBMPODDOINV-HNNXBMFYSA-N 419.348 4.421 30 40 HIEB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 69846871 LDYBGOZVVBOSIN-JOCHJYFZSA-N 400.542 4.272 30 40 HIEB N#Cc1ccc(/C=C2/CN(c3ccccn3)C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 98007565 YOFJQIGOKZOEGD-NQGGHMMCSA-N 402.457 4.381 30 40 HIEB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cccc(Nc2ncc(C#N)s2)n1 585293313 FBHNGIAOWZWEAI-FQEVSTJZSA-N 421.574 4.885 30 40 HIEB CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(F)c(Cl)c3)o2)cnn1C 2798215 STJQCCDNWRQNBQ-YSURURNPSA-N 418.856 4.275 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(OC)c1 6001542 RIYJPVZUEFWSCR-MRXNPFEDSA-N 411.527 4.091 30 40 HIEB CCOc1cc(/C=N/Nc2nc(-c3ccc(F)cc3)c(NC(C)=O)s2)ccc1O 6537530 YGCFMVBMODJCJX-SSDVNMTOSA-N 414.462 4.458 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@H]1c1ccc(C)cc1 19787526 XTGNITQMHGCMEC-MDOTZGTBSA-N 418.537 4.315 30 40 HIEB Cc1cc(C(F)(F)F)nc(SCc2cc(=O)n3cc(Cl)ccc3n2)c1C#N 32117737 OCQDZVSQELKNJQ-UHFFFAOYSA-N 410.808 4.234 30 40 HIEB Cc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O 36007052 MSYJHBUTVWNAQY-FOKLQQMPSA-N 409.364 4.215 30 40 HIEB CCCn1c(N)c2c(=O)n(CCC)c(-c3cccc4ccccc34)cc2c(C#N)c1=O 68754905 YIRDNGJYWFXXCH-UHFFFAOYSA-N 412.493 4.257 30 40 HIEB CC(C)Oc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102374333 HRGFPDWRPHQPAX-JBCNATCCSA-N 418.449 4.084 30 40 HIEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 225725303 GMVOMGXROABCNK-LJQANCHMSA-N 404.557 4.093 30 40 HIEB COc1ccc(-c2csc(NC(=O)/C(=N/Nc3ccccc3C)C(C)=O)n2)cc1 653414 CTKVSVFHFSKJFN-NCELDCMTSA-N 408.483 4.123 30 40 HIEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 706851 SLTVJLPOVPPHRV-UHFFFAOYSA-N 417.600 4.064 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccco1 795043 AJHCXYJZHMTSGC-YVEFUNNKSA-N 422.264 4.344 30 40 HIEB COc1ccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 4813636 NOARRSQOTIPTBX-SSDVNMTOSA-N 407.451 4.380 30 40 HIEB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)S1 6334544 MPTCEOZNPASCDH-CPNJWEJPSA-N 403.463 4.376 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c(C)c1 6720083 PAGOYQSWHIFABE-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 7214300 XCRYZIZLVBGOIO-OAQYLSRUSA-N 401.491 4.150 30 40 HIEB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C#N)cc1)CC2 7408682 WEBIFCCOROGPCK-JOCHJYFZSA-N 404.491 4.425 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)c2ccc3ccccc3c2)n(C[C@H]2CCCO2)c1C 8533292 ZWTRMCKZQBMYHR-JOCHJYFZSA-N 416.525 4.384 30 40 HIEB CCCCOc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 8768959 YHZMWWYWCAHIPT-FSJBWODESA-N 410.861 4.298 30 40 HIEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C(\C)c1ccccc1Cl 15910393 DXDZXUOZCVALDV-DEDYPNTBSA-N 424.910 4.115 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1ccncc1)CO2 32501362 NUVJOKFWUMFSJE-FBHDLOMBSA-N 402.425 4.497 30 40 HIEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc2c(c1)OCO2 35648010 HLPBVILXCXEBDO-OVCLIPMQSA-N 403.257 4.069 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(OCc2ccccc2)cc1 38490257 VPGKJVVPHYQPFR-UHFFFAOYSA-N 419.868 4.046 30 40 HIEB Cn1c([C@H](C#N)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 40089614 ISZDQCXYHIKIJT-IFMALSPDSA-N 422.488 4.311 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccccc2Cl)=N1 57401764 KJQPZKQPLIXTMC-UHFFFAOYSA-N 414.918 4.262 30 40 HIEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 95483061 FILWHYVYYNFMSI-IBGZPJMESA-N 403.507 4.452 30 40 HIEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225088080 GCPIMAFMYMFBPL-UHFFFAOYSA-N 400.378 4.303 30 40 HIEB C=CCOc1c(Cl)cc(/C=N/n2c(S)nnc2-c2ccccc2)cc1OC 409059035 OFOMYBIIBSTGDZ-CIAFOILYSA-N 400.891 4.343 30 40 HIEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CCCCC1 906815 XPJLFXGMNKRYBV-UHFFFAOYSA-N 415.588 4.406 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@H]2c1ccccc1 2211536 RBXXALBHMDCCMU-IBGZPJMESA-N 423.476 4.354 30 40 HIEB COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2=C(CCCC2=O)N3)cc1OC 4279848 QGWJVHMAVZVIOU-QFIPXVFZSA-N 416.481 4.293 30 40 HIEB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)ccc1O 4987407 UHFCYJHNCXGLCS-MJGOQNOKSA-N 421.493 4.192 30 40 HIEB CCOc1ccc2nc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)sc2c1 6628292 KMSVXENVDVAIJT-WEVVVXLNSA-N 409.467 4.258 30 40 HIEB COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 9420179 AEARSJZYKJGODO-UNOMPAQXSA-N 414.460 4.141 30 40 HIEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3cccc(F)c3)S2)cc1 12412090 RLCAPVHOLGBQQZ-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB CCCC/N=C1\S[C@@H](CC(=O)Nc2cc(C)ccc2OC)C(=O)N1CCCC 17085137 CHEXLAHPXXNYEQ-ZREAOVPFSA-N 405.564 4.232 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1nc(C(F)(F)F)nc1N2 19960037 BCORQVMMTVMBEE-PIGZYNQJSA-N 418.350 4.445 30 40 HIEB C=CCn1c(C)nn(CN2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S 69921209 DEPKHUICPUDIRR-GOSISDBHSA-N 423.627 4.224 30 40 HIEB CCCCCCCCCCCCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C 97949461 FYYKCDCNQJQMOY-UHFFFAOYSA-N 420.602 4.190 30 40 HIEB C=CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1ccccc12 100031491 YOVMCENUDKGZSL-JTAQYXEDSA-N 408.523 4.139 30 40 HIEB CCOc1cc(/C=N\O)cc(I)c1OCc1ccc(C)cc1 100250371 ZNIJEXKRKZWWPW-GRSHGNNSSA-N 411.239 4.385 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 169700623 BGFMZHZMLGPJJN-RQOWPJGASA-N 420.896 4.450 30 40 HIEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Br)cc1)C(=O)N2C1CSC1 223720504 FAXSGODGQWZFSD-FXBPSFAMSA-N 402.317 4.036 30 40 HIEB C=CCN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224368899 RNGYPHZYDUZMQE-UHFFFAOYSA-N 420.534 4.040 30 40 HIEB C=CCN(c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O 408615414 QBRYEXVRYKTEGZ-UHFFFAOYSA-N 420.534 4.158 30 40 HIEB CCOc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1 409200345 RMPQMEHTOYGESY-XGICHPGQSA-N 421.840 4.025 30 40 HIEB N#CCCn1ncc(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c1-c1ccccc1 560834734 UYVWVSCGWINNAF-QHCPKHFHSA-N 424.426 4.453 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1C 4631401 DXTHVUIRMCTZTL-HSZRJFAPSA-N 419.525 4.266 30 40 HIEB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O 4987408 UHFCYJHNCXGLCS-HKUYNNGSSA-N 421.493 4.192 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(N(C)C)cc1 5868844 MDDAMTRHTRHBGS-SFHVURJKSA-N 424.570 4.293 30 40 HIEB CC/C(Cl)=N/OC(=O)N(C)c1ccc([C@@](Cl)(C(=O)OC)C(F)(F)F)cc1 8445342 UOPSZVFZOUGCJU-WHJAWBAWSA-N 415.195 4.391 30 40 HIEB N#CCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 8760855 FUUABYSTGNTAEH-UHFFFAOYSA-N 418.444 4.225 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 9109959 DZRNHSXEQXKIEW-FQEVSTJZSA-N 416.389 4.083 30 40 HIEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 18077947 SKOFQWFKQSXWIX-HKXVIOCSSA-N 415.346 4.332 30 40 HIEB CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 19144698 NUVBMYRTQDLPFX-NRFGWYQLSA-N 417.845 4.458 30 40 HIEB CCOC(=O)[C@@H]1CCCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)C1 19820624 SQJAJWYCYCWSKR-CQSZACIVSA-N 416.934 4.170 30 40 HIEB Cc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(F)cc3)c2C#N)cc1 20348532 YBUALRFLNBIYPO-UHFFFAOYSA-N 417.469 4.252 30 40 HIEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1-c1ccccc1 34888560 BVSCCOPLRHBSQJ-UHFFFAOYSA-N 419.506 4.077 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)no1 102804810 OBZCHXSCNGSONE-YDJIHCHBSA-N 418.380 4.495 30 40 HIEB C=CCN(Cc1ccc(C(=O)NCCCCC)cc1)S(=O)(=O)c1ccc(C)cc1 224479426 ZHVIWKIWKKKPNV-UHFFFAOYSA-N 414.571 4.292 30 40 HIEB CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)O)cc1 409053529 KQYKHPQZNRHLCZ-HBVQVORYSA-N 417.830 4.180 30 40 HIEB CCOc1ccccc1/C=N/N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 409228096 ZXXHVARDPHDUCQ-VHPZFDFESA-N 422.484 4.311 30 40 HIEB C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 2317423 JPMPSKNWFQRPPE-XLNRJJMWSA-N 419.550 4.352 30 40 HIEB C=CCn1c(C)cc(C(=O)COC(=O)Cc2csc(-c3ccsc3)n2)c1C 8001440 SZANAICTNFDVRH-UHFFFAOYSA-N 400.525 4.445 30 40 HIEB N#Cc1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 9714845 YASXRQJJLFWIDI-UHFFFAOYSA-N 417.899 4.326 30 40 HIEB Cc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1-c1ccc(C(C)C)cc1 17087405 HVCSFLDSJWXOSE-HNJRGHQBSA-N 406.507 4.385 30 40 HIEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](Sc1ccccc1)/C2=N\O 17903303 IOEXOESFPUIGLA-HDOZFUISSA-N 404.513 4.169 30 40 HIEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cc(Cl)ccc1O)c1c(O)n[nH]c1N2 18196314 MTTDNTDKQWWVOC-JDNHERCYSA-N 413.886 4.494 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc2sccc2c1=O 32946308 CDRRNJKDPCMABD-HNNXBMFYSA-N 424.551 4.071 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 36093491 FOXYDHCYCFBZHT-DZRHBTRISA-N 424.570 4.395 30 40 HIEB CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 40120235 WXDSIYBRZPCBOD-UHFFFAOYSA-N 409.555 4.403 30 40 HIEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48326223 OOMKAHBLLRWNQK-LJQANCHMSA-N 407.539 4.014 30 40 HIEB C=CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(OCC)c21 100909716 VRPKEMCUAKPNPJ-FCQUAONHSA-N 406.463 4.135 30 40 HIEB Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 102945975 SIIFGLOZBJCNOZ-XTQSDGFTSA-N 416.393 4.419 30 40 HIEB CCCc1nc(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)O)n[nH]1 408631450 JFPJNJBVWSMASQ-UNOMPAQXSA-N 420.494 4.426 30 40 HIEB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C=O)c4ccccc4C3(C)c3ccccc32)cc1C 408726275 AWPSHCPHPHHWFV-OJKWPBSESA-N 421.496 4.227 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 1102728 LSOCVAWBDBXJPM-SFHVURJKSA-N 406.419 4.439 30 40 HIEB COc1ccc(OC)c(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)c1 1251514 PYDDFBVISASNAB-UKWGHVSLSA-N 409.298 4.440 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 6880175 ZAIFJFFBRUIDGX-SFHVURJKSA-N 423.538 4.045 30 40 HIEB Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 9575750 YUAYSALAXRQXPW-LHSJRXKWSA-N 404.422 4.058 30 40 HIEB C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc(OC)c1OCC(=O)O 59248063 FDLMYBAVYOVTCR-FOKLQQMPSA-N 417.845 4.078 30 40 HIEB CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)O)o1 214862135 JZPBKVVIMXSDIZ-WQRHYEAKSA-N 407.451 4.300 30 40 HIEB COc1cc(OC)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409102574 YTMZONKQRKTQIA-QPSGOUHRSA-N 404.186 4.326 30 40 HIEB C=C(C)Cn1nc(OCC)n(-c2sc3c(c2-c2ncn[nH]2)CC[C@@H](C)C3)c1=S 1428866 XGYCCAZBPUFAOM-GFCCVEGCSA-N 416.576 4.349 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccco4)nc3c1[C@H]2c1ccco1 5347290 PRJLLFMOIBUKBC-KRWDZBQOSA-N 402.410 4.145 30 40 HIEB COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)cc1 5558018 JVWVCSPCNSIAMR-VIYXUHAESA-N 402.859 4.281 30 40 HIEB COc1cc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC(F)F 6053599 DSWPLWSNBZBOAH-AOEPBBORSA-N 404.413 4.013 30 40 HIEB C=CCn1c(NC(=O)COc2cccc(C)c2C)c(C(=O)OCC)sc1=S 12807251 WYZGQVUUPIRPLN-UHFFFAOYSA-N 406.529 4.276 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)on1 13570841 HTTPHXPKRWGCPV-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 13573284 ICSBYCVMDYQUSO-HNNXBMFYSA-N 419.293 4.117 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccc(C)c1 21991285 YZIRNUAYDHZRHB-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB COCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc21 24048550 VVSUPHFZFJUOPH-CYBMUJFWSA-N 414.918 4.327 30 40 HIEB N#CCCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 95953406 BWVOIEGNJGALKX-GOSISDBHSA-N 405.523 4.173 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1 102878927 YPSKDGKJARINJQ-LFVOPCPISA-N 420.490 4.395 30 40 HIEB O=C1Nc2ccccc2C1=Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 409088174 FDJUDEBJVHXKHR-UHFFFAOYSA-N 405.479 4.223 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409107821 QYONSHOCPSPUCS-XDHOZWIPSA-N 410.495 4.411 30 40 HIEB CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C/c2ccc(N(C)C)cc2)C1=O 2967983 XIGWSKUVXYICKK-QGOAFFKASA-N 412.486 4.435 30 40 HIEB Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C#N)c1C 4270376 CTBWSFHXCTVDFH-UHFFFAOYSA-N 411.508 4.290 30 40 HIEB O=C1/C(=N\Nc2ccc(Br)cc2)C(C(F)(F)F)=NN1c1ccccc1 4712268 PFQQBOPTBNTYDU-XKZIYDEJSA-N 411.181 4.182 30 40 HIEB C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)NC1(C#N)CCCCC1 7814808 VLKRSPKMHMDPAY-INIZCTEOSA-N 409.511 4.121 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 11859788 JZNQPJNDVZGYCF-MIZVFFBBSA-N 418.927 4.187 30 40 HIEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br 12889551 AWQIVYZHJQIWRS-SNVBAGLBSA-N 424.092 4.489 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1F 16729240 DNZSQIZGOPROJC-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB CCCC/N=C1/S[C@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CCCC 95482829 KGCIQXGQIVZNBC-VEGAHXMMSA-N 405.564 4.314 30 40 HIEB CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N\CC)S2)cc1 100172800 WYABFTGTROFIIB-VEGAHXMMSA-N 405.564 4.314 30 40 HIEB Fc1ccc(/C=N\N=C(N/N=C\c2ccc(F)cc2)N/N=C\c2ccc(F)cc2)cc1 100930566 ZHSVKJZFTZGSQU-BBROENKCSA-N 422.414 4.041 30 40 HIEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 102799195 CSRLOLDGDZTGPH-MRJHHRETSA-N 409.482 4.403 30 40 HIEB COc1ccc(C(=O)/C=C/c2cc(I)c(OC)c(OC)c2)cc1 408672509 VFPYXOIGEMUWQP-RUDMXATFSA-N 424.234 4.213 30 40 HIEB C=CCc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc(OC)c1O 408859168 MIQAZYFQXVDILY-UNOMPAQXSA-N 410.495 4.338 30 40 HIEB C=C(C[C@@](NP(=O)(OCC)OCC)(C(=O)OC)C(F)(F)F)c1ccccc1 3622229 JTXBQMHCCSVJFI-MRXNPFEDSA-N 409.341 4.335 30 40 HIEB N#CCSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 4959815 MSIBWUUCGZTVOS-UHFFFAOYSA-N 401.289 4.224 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 5491275 LMXPZIHWAYOCLK-PBHICJAKSA-N 403.887 4.159 30 40 HIEB C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c2cc1Cl 13629945 HJICXNJRGBSVNB-UHFFFAOYSA-N 404.875 4.347 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccncc1 20173254 LRZCMLGSYVFNLX-ZDUSSCGKSA-N 422.539 4.255 30 40 HIEB CCOc1cc(Br)cc(/C=N/c2ccccc2N2CCOCC2)c1O 32115301 DSLDZYKDTLALSW-FYJGNVAPSA-N 405.292 4.141 30 40 HIEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 33599358 VLTZBCSODGHKBY-WOJBJXKFSA-N 421.298 4.231 30 40 HIEB CCOc1ccccc1NC(=O)NCCNc1nc2c(C)cc(C)cc2cc1C#N 35312842 XCUPPMNAKMRBIX-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB N/C(=N/OCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1Oc1ccccc1 65626442 TYLAJFYBKNSYFO-UHFFFAOYSA-N 411.845 4.136 30 40 HIEB C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC=C)C2=O)cc1OCC 409097269 LZKKCWWTAFOWPT-MHWRWJLKSA-N 422.300 4.082 30 40 HIEB C=CCSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 2254607 IXCIHJFVQCBAII-UHFFFAOYSA-N 408.552 4.311 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 3385076 HHHKQIWMVNYZLR-UHFFFAOYSA-N 415.478 4.189 30 40 HIEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)NC1CCCCC1 6356330 AFUOSQJQUBYVDO-UHFFFAOYSA-N 414.575 4.147 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1sccc1C 8346018 FNHPSMXSJPMJDN-AWEZNQCLSA-N 417.556 4.203 30 40 HIEB Cc1c(NC(=O)c2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 12906533 XUQQVOIIAUZZQH-UHFFFAOYSA-N 401.491 4.379 30 40 HIEB CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OC 13056635 BVHABBGPRKKOCY-RUDMXATFSA-N 401.890 4.480 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(C)cc2)cc1OC 18198499 QCLMRHXAOIZXPW-GAJHUEQPSA-N 416.481 4.019 30 40 HIEB COc1ccccc1Nc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 25930218 GQDRJECVUVSFKP-NSHDSACASA-N 417.541 4.024 30 40 HIEB COc1ccccc1N1CCN(c2oc(COc3ccc(Cl)cc3)nc2C#N)CC1 27742832 KKTDAFKFGGGCHE-UHFFFAOYSA-N 424.888 4.114 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(F)c1 32579534 VMKNWRUARANEIQ-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ccc2C#N)cc1 33011087 ZOEJSWJKVUOWDB-UHFFFAOYSA-N 417.490 4.446 30 40 HIEB C=CCn1c(SCc2cnn(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1 40127450 CJWPKLOVTLRYOO-UHFFFAOYSA-N 404.499 4.013 30 40 HIEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294499 CSHIGTSVHBUETE-LFVOPCPISA-N 422.462 4.236 30 40 HIEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 113481048 AQCNGPUKCSXFSZ-CQSZACIVSA-N 419.293 4.308 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)n1-c1cccc(Cl)c1 408589574 LYSJTUCJVHTHRV-WKBLBQNHSA-N 419.912 4.135 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409160913 KHVPTFWRYQTSBK-NMAJKEABSA-N 406.869 4.060 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1SCC(=O)NC1CCCCC1 4671018 ANBQHWSDGDPYLN-QGOAFFKASA-N 417.962 4.247 30 40 HIEB COC(=O)c1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 4849098 KXSFDMOPWQZDEP-UHFFFAOYSA-N 405.479 4.241 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC 4919297 VIDAJWHJCDKWMS-NZQKXSOJSA-N 410.466 4.032 30 40 HIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 6941032 NEAFQGSGASRJLC-MFOYZWKCSA-N 403.228 4.007 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(Cl)cc2)cc1 16995156 XVXKRKVTOPHLQJ-BTYIYWSLSA-N 406.873 4.356 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc(SC(F)(F)F)cc3)CC2)nc1 40032290 ZXVMQOUTSQYFSY-UHFFFAOYSA-N 406.433 4.420 30 40 HIEB COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)cc1 62001277 KYBAUDRRIABFEK-LSHDLFTRSA-N 414.461 4.367 30 40 HIEB biogenic COCCOc1ccc(C(=O)/C=C\c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 98008729 RPAZPWOQXJNJBW-YVMONPNESA-N 423.368 4.126 30 40 HIEB C#CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 226335984 JLBGEWPGBVQMHJ-RMKNXTFCSA-N 419.246 4.365 30 40 HIEB CCN1C2=CC(=NC(C)=O)C=CC2=S=C1/C=C1/C=Cc2cc(OC)ccc2N1CC 334157191 UWXGHUIJYSXLNP-JIECSLGGSA-N 419.550 4.244 30 40 HIEB C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)O)C3=C2C(=O)CCC3)cc1 409071697 HXYAUEXZAKKJCP-UHFFFAOYSA-N 421.493 4.140 30 40 HIEB CCc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)/C=C/c1ccccc1 409134201 NDWJAMUKBDMUQF-VPFLOELBSA-N 423.472 4.460 30 40 HIEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)O 409215019 ZUHLLXSTSUHSML-SRZZPIQSSA-N 423.385 4.055 30 40 HIEB CCOc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 409254932 YLYUJFKGXYRSIW-FBHDLOMBSA-N 421.291 4.290 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/C(C)=C/c2ccccc2)c([N+](=O)[O-])c1 5019579 XRVPNVYZSALNFC-OXRMLJHISA-N 416.503 4.127 30 40 HIEB CC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)CCN1C(=O)c2ccccc2C1=O 5950539 QELXXCRQIHCPII-HNHDZATFSA-N 421.522 4.023 30 40 HIEB Cc1nn(CCC#N)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 6329069 YFQCUFQYHFSWSG-NRFANRHFSA-N 403.530 4.372 30 40 HIEB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccccc1C#N 8231471 JEHFMCBJPVLLIY-UHFFFAOYSA-N 410.861 4.079 30 40 HIEB O=C1/C(=N\Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 8398132 LBJWXPKAHPPWJP-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB CCOc1cc(/C=N/Nc2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O 8738934 UKOGLHPDNKCNNA-VXLYETTFSA-N 402.501 4.380 30 40 HIEB N#CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2ccccc2)NC1=O 15931936 ZHSQACWQSSCOTD-LFIBNONCSA-N 414.284 4.243 30 40 HIEB Cc1ccc(C(=O)C2=CN(c3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1 32984159 ZWMZKTKHYGDATE-UHFFFAOYSA-N 419.458 4.373 30 40 HIEB Cc1cccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n1 33354040 KAFZKFHFSJJRBH-MRVPVSSYSA-N 420.178 4.364 30 40 HIEB biogenic CCOc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc1 101347012 NBQJCISXNRMYKU-UHFFFAOYSA-N 401.466 4.145 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C)c2ccccc12 409317996 UAAPOZWXFFTXQR-UHFFFAOYSA-N 423.314 4.485 30 40 HIEB CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(OC)c2)C2=C1CCCC2=O 1461735 KVEINMCJCCINQJ-UHFFFAOYSA-N 401.890 4.488 30 40 HIEB C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCC(=O)O 4028941 HDVCFXRYOTXWAY-LTLLVOOCSA-N 417.546 4.338 30 40 HIEB biogenic Brc1ccc2[nH]c3nc(N/N=C/c4c[nH]c5ccccc45)nnc3c2c1 4754250 ULDJFWGAVZEGMO-ZVBGSRNCSA-N 406.247 4.196 30 40 HIEB CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(OC)ccc(C)c2s1 5122180 SLOWDUHQIMCDTA-UHFFFAOYSA-N 422.554 4.474 30 40 HIEB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](c3ccc(F)cc3)CC1=O)N2 5390582 WQKLYXWMBMBGKK-LRTDBIEQSA-N 410.399 4.420 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 6780871 PJZSVXZNAJOBPT-NRFANRHFSA-N 416.433 4.018 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 8715671 VPWVSDNNPXMRHO-KZULUSFZSA-N 420.292 4.261 30 40 HIEB CCOC(=O)C/C(=N\Nc1cc(OCCOC)c(Cl)cc1Cl)C(F)(F)F 12338641 LAYXYJLILCMGAR-LPYMAVHISA-N 417.211 4.302 30 40 HIEB N#CN/C(=N/c1ccccc1Cl)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 13574483 SIBFSTYSNKEHNJ-HNNXBMFYSA-N 419.293 4.117 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 14241302 XGUTZSGCBSPSLA-UHFFFAOYSA-N 405.885 4.430 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 17147653 QTIXVPFSMICETH-NRFANRHFSA-N 403.434 4.375 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 102926739 XUZZUBPTMXZNPS-GHNGSUTGSA-N 406.463 4.168 30 40 HIEB CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@@H]3CC[C@@H]2N3C)cc1 103811960 MYNBPVFKCVOBPM-JCTITECJSA-N 401.554 4.331 30 40 HIEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Br)c1 224884049 YVEJUWGZLPTDGZ-UHFFFAOYSA-N 418.259 4.117 30 40 HIEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)N2CC(C)C)cc1 408910258 GPFJEBVCAIBHOC-GYOQDEGTSA-N 423.538 4.119 30 40 HIEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 409124654 BWKAJOLODRTXBI-LDADJPATSA-N 412.873 4.396 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 815799 HUNZAGODPWZEQB-MWTRTKDXSA-N 407.466 4.131 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 2066347 XBKXINSIFPYBIB-NRFANRHFSA-N 411.498 4.363 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=S)Cc2ccccc2)cc1 3162212 IZOVSGGJSRIZCB-XQNSMLJCSA-N 424.547 4.256 30 40 HIEB N#Cc1c(N2CCOCC2)nc(NC2CCCCC2)c2c1CCN(C1CCCCC1)C2 5789239 ZZRLTCJZOJCIHC-UHFFFAOYSA-N 423.605 4.225 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1OC 9109902 IAGYUVIKKIJPNR-HJPURHCSSA-N 416.481 4.019 30 40 HIEB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1C#N 9442664 SCXYQNXHURUBFW-UHFFFAOYSA-N 412.755 4.214 30 40 HIEB CCCNc1c(/N=C(\O)[C@H]2CC(=O)N(c3ccccc3)C2)c(=O)oc2ccccc12 28048999 URPREMMUDTYHTO-HNNXBMFYSA-N 405.454 4.256 30 40 HIEB COc1ccc(C(=O)C2=CN(c3cccc(OC)c3)c3ccccc3S2(=O)=O)cc1 32984189 RESNKCKMJJOVQO-UHFFFAOYSA-N 421.474 4.354 30 40 HIEB CN(C)c1ccc(NC(=O)NCCNc2cccc(F)c2C#N)c(C(F)(F)F)c1 47867455 XPMIWDJYEXXHAH-UHFFFAOYSA-N 409.387 4.016 30 40 HIEB CCCCCCCCCn1c(N/N=C(\C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 100668472 GWTVBMSVVMESFX-YZSQISJMSA-N 424.549 4.010 30 40 HIEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102531243 DBXWDZBVCBCMOW-ISYIFQNYSA-N 415.848 4.080 30 40 HIEB C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 408815224 USVVTSCBGHYERA-KGENOOAVSA-N 413.477 4.419 30 40 HIEB C=CCn1c(C)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21 408986472 MENTYBYFUOSHCY-QNGOZBTKSA-N 413.477 4.365 30 40 HIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 409168313 QANYFJWOQJPGMO-GIDUJCDVSA-N 415.814 4.062 30 40 HIEB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCC#N 409170051 SCNZHYLIQJYQRG-NDENLUEZSA-N 419.462 4.096 30 40 HIEB C=CCOc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OCC 2081015 PVIUZNPSXJLTPS-BOPFTXTBSA-N 408.410 4.211 30 40 HIEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c2ccccc2n1 2621915 DCMLVBLQTHKDMZ-CYBMUJFWSA-N 419.506 4.397 30 40 HIEB COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)[nH]c2c1 4252318 YABALCOOTDQERD-LLVKDONJSA-N 412.540 4.360 30 40 HIEB CCOC(=O)/C(=N\NC(N)=S)c1cc(-c2ccccc2)c(-c2ccccc2)s1 4491434 JYGSWMMLSVYJPN-NKFKGCMQSA-N 409.536 4.183 30 40 HIEB O=C(O)CCCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F 4576430 VFKAPXIWWUWBPC-SFHVURJKSA-N 417.458 4.111 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1OC 9204930 FGQZLEVKRNEQQI-HNNXBMFYSA-N 424.526 4.268 30 40 HIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)O)c3)c2C)cc1 13616241 HHQZGBUYMQHQTH-ZMOGYAJESA-N 406.438 4.425 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)cc1OC 13653617 HUCXPTHXJYNIBP-XKZIYDEJSA-N 409.482 4.258 30 40 HIEB biogenic C=CCOc1ccc(C(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC 19550204 GZIREHLUTBXZIA-HSZRJFAPSA-N 404.466 4.022 30 40 HIEB COc1ccccc1C[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 58109057 JKIMNWZNEPXZIC-IBGZPJMESA-N 420.534 4.389 30 40 HIEB COc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)NN2c2nc(C)cc(C)n2)c1 227129567 ONJWLDRQTFUKOV-UZUQRXQVSA-N 416.481 4.162 30 40 HIEB O=[N+]([O-])c1cccc(/C=C2\CCC(/C=N/Nc3ccccc3)=C2N2CCOCC2)c1 4962344 NISKRIREXXWCNM-KQJPFVROSA-N 404.470 4.456 30 40 HIEB C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5461192 RNQGULCZIHCLMY-GGPGUOJZSA-N 415.346 4.332 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1F 6025315 MPXXBBAHXNFOIV-HXUWFJFHSA-N 407.397 4.211 30 40 HIEB COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 6499320 WZWZTOFQORFDPZ-NRFANRHFSA-N 419.433 4.075 30 40 HIEB CSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 9187341 WHPLRZOLEVFCFE-ZDUSSCGKSA-N 415.521 4.104 30 40 HIEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 13573290 UJGVESCAOFCVEI-AWEZNQCLSA-N 419.293 4.117 30 40 HIEB C=CCN(Cc1cccs1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 14189251 QXFSSPVGAXBXAW-UHFFFAOYSA-N 417.534 4.189 30 40 HIEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 44843071 OJJNVAOUBYNGLN-ZHACJKMWSA-N 411.454 4.247 30 40 HIEB Cc1nn(-c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)c(C)c1Br 58203094 LRBFKRCBWXCZOC-UHFFFAOYSA-N 423.314 4.396 30 40 HIEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)c1 59248143 BIYYRNVGSLRKEB-SXGWCWSVSA-N 402.859 4.003 30 40 HIEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc2c(c1)OCCO2 409280584 KISRUEGUUQYLSD-UHFFFAOYSA-N 423.428 4.463 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccccc2F)c(Cl)c1 409408779 ZIGJZKFYYVPUIJ-LATRNWQMSA-N 424.859 4.199 30 40 HIEB C=CCN/C(S)=N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1969321 LUAKQRQNOUCIKB-CIAFOILYSA-N 404.333 4.423 30 40 HIEB CCc1nc2ccccc2c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1C 3361680 PXHAATINIXPVRG-UHFFFAOYSA-N 401.466 4.209 30 40 HIEB C=CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nnc1-c1cccc(C)c1 3381566 ZOFTUVYDTBRNSA-UHFFFAOYSA-N 424.570 4.479 30 40 HIEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C 4785405 JOYLDONICZKALT-LTNVFZTJSA-N 419.576 4.141 30 40 HIEB CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 5429159 HFVWKGIHYSVSGS-KWJZBXMYSA-N 410.499 4.102 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1C#N 9367636 CUJSCNLCLPCUNE-FOKLQQMPSA-N 421.413 4.031 30 40 HIEB N#Cc1ccccc1NC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O 12762000 OQZQSDXEFHTFFB-UHFFFAOYSA-N 400.463 4.025 30 40 HIEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccccn4)nn32)cc1 18198676 WFFHYJFDFRMNHO-FQEVSTJZSA-N 403.511 4.296 30 40 HIEB C=C1c2ccccc2C(=O)N1CC(=O)N1/C(=N/c2ccccc2OCC)SC[C@@H]1C 24951792 IPFGOWOPDXGKHL-AAZYKRMUSA-N 421.522 4.163 30 40 HIEB CC(=O)[C@H]1[C@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920571 HKTPWOIJKNNTFE-DLTWVWCASA-N 414.615 4.167 30 40 HIEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccc(C(C)C)cc1 223735560 AHPPTNQLMWZWJM-FLFQWRMESA-N 411.527 4.105 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)[C@H]1C=C[C@H]2C1 408728597 PNXQXFYJVMSXOM-GXOPWVECSA-N 400.356 4.106 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409072323 UXPVSWIALTZVFK-NTEUORMPSA-N 412.305 4.467 30 40 HIEB C=CCSc1nnc2n1-c1nnc(SCC=C)n1-c1sc3c(c1-2)CCCC3 1764603 UWYLIFLCYGGLEM-UHFFFAOYSA-N 414.585 4.325 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1cccnc1 5490613 JMBCCZMIHLVMBY-JOCHJYFZSA-N 414.461 4.177 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1C 5532350 DAZDDTYBSUWSBA-MFOYZWKCSA-N 416.886 4.312 30 40 HIEB Cc1ccccc1-c1nnc(S)n1/N=C/c1c(C)nn(Cc2ccccc2)c1C 8511272 WACNLEOEHSYDDV-YDZHTSKRSA-N 402.527 4.286 30 40 HIEB N#Cc1cnc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nc1N 8637007 DRHUSZUZYNQHLT-UHFFFAOYSA-N 419.901 4.042 30 40 HIEB Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)cc1 12418638 NTENOKPNWLAMHS-IZZDOVSWSA-N 416.456 4.127 30 40 HIEB COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccncc2)C4=O)cc1 13734974 PDUUQWWFJLJIQF-UCQKPKSFSA-N 414.461 4.101 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 14137246 NWDKQEMVKSMZKC-UHFFFAOYSA-N 412.824 4.240 30 40 HIEB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 18178457 UJRUAKRIYLZNPE-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)c1 18213091 HSKCYUWMNBVJQN-MAVBTGMRSA-N 411.527 4.292 30 40 HIEB COc1cccc(NC(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1 19569320 VRFUWOVYPGMZHH-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB N#Cc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 22770875 MWAKQQSAAIDFNH-UHFFFAOYSA-N 413.550 4.252 30 40 HIEB N#Cc1c(/N=C/c2ccc(SCCO)c([N+](=O)[O-])c2)sc2c1C1CCN2CC1 32124988 UOOIWXVVLZCMRE-SRZZPIQSSA-N 414.512 4.060 30 40 HIEB CCNC(=S)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 33615264 SKYAPPXHXRZBTF-LSHDLFTRSA-N 412.393 4.224 30 40 HIEB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cc(C#N)c(=O)c2ccccc21 60381862 DCCATGQWLVDUBM-UHFFFAOYSA-N 415.537 4.146 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 102798419 FCEVACAWYJIEGD-GROYHEBESA-N 406.265 4.062 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 102799670 QSJKYWMDOUAITG-JBCNATCCSA-N 423.509 4.061 30 40 HIEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408843184 DXVJUDIWVCVWPX-MSXFZWOLSA-N 420.421 4.028 30 40 HIEB N#Cc1c(O)nc(SCC(=O)Nc2ccc3ccccc3c2)nc1-c1ccco1 891037 WQLCEZRXLFTEJY-UHFFFAOYSA-N 402.435 4.198 30 40 HIEB Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1 1776410 FMFGONSADNJHQB-WGOQTCKBSA-N 412.493 4.232 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(F)cc2)C2=C(C[C@H](C)CC2=O)N1 4802991 OZCOCGDLJJYMQA-FPTDNZKUSA-N 405.473 4.382 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 6003482 SEXPIJVLDMLQSS-PXAZEXFGSA-N 411.527 4.234 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 6813218 GZPRBWDBISTOCD-NRFANRHFSA-N 400.434 4.182 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790776 RUCKBIJKEPQJLE-JLCFBVMHSA-N 422.558 4.296 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 12581774 QDNFJMWBIOQMLM-FQEVSTJZSA-N 406.438 4.232 30 40 HIEB C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(Br)cc1 12912750 YZACFHBBKUHOQP-ZDUSSCGKSA-N 402.321 4.429 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccc(C)c4)CC3)o2)cc1 21799527 PAHFSQSLGOLPQG-ZHACJKMWSA-N 412.493 4.296 30 40 HIEB C=CCn1c(COc2ccc(OCC)cc2)nnc1SCC(=O)Nc1ccccc1 32611968 HXXOXLFLGFRINS-UHFFFAOYSA-N 424.526 4.173 30 40 HIEB CCc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(C)C)cc1 32734082 SOSOASUYXXUETR-NRFANRHFSA-N 408.571 4.148 30 40 HIEB COc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)nc(O)c2C#N)cc1 40129989 BKOFBYCBGVBSHK-UHFFFAOYSA-N 400.360 4.360 30 40 HIEB CNC(=O)C[C@H]1S/C(=N/c2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O 104480859 HOYLSNDWBILHBI-JQBIEYAESA-N 415.946 4.225 30 40 HIEB C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224876356 DJBHPESQFBLFGS-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N1CC 408930416 WTXZQLOCXNKISK-PIJRJAKLSA-N 411.527 4.193 30 40 HIEB O=C1CSC(=N/N=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)N1 408976833 UGCPBPOCVFXXJL-GZIVZEMBSA-N 400.866 4.035 30 40 HIEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1C 940396 TYWBKDCWHKWBTG-JOCHJYFZSA-N 404.470 4.052 30 40 HIEB CCOc1ccccc1NC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F 2295348 OSKQYIQUIGDHRN-ZDUSSCGKSA-N 411.220 4.219 30 40 HIEB C=CCNC(=O)c1cc2c(n(-c3ccc(Cl)c(Cl)c3)c1=O)CC(C)(C)CC2=O 2809780 GYRHVCJMUUWUCE-UHFFFAOYSA-N 419.308 4.215 30 40 HIEB C=C(C)CNC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1C 6332342 ADVKGPNIEVKLAN-UHFFFAOYSA-N 409.964 4.312 30 40 HIEB Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 12587542 VNEATGDAZZKPHM-UHFFFAOYSA-N 423.494 4.023 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 12877804 FNGLTDPEZSMDCD-LBPRGKRZSA-N 404.567 4.397 30 40 HIEB COc1cc(/C=N/NC(=S)SC)ccc1OCc1nc2ccccc2nc1C 16265392 WNSAANNLSIHZPM-SRZZPIQSSA-N 412.540 4.097 30 40 HIEB O=[N+]([O-])c1ccccc1N/N=C/c1cc(Br)cc(Br)c1O 21487048 BRPJFEHAVVYVQB-FRKPEAEDSA-N 415.041 4.271 30 40 HIEB CCc1ccccc1NC(=O)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311332 NWKQGVJBRSKSQE-UHFFFAOYSA-N 417.469 4.021 30 40 HIEB CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n[nH]1 408527106 KUYLXWCUBDIFLB-NSHDSACASA-N 403.577 4.182 30 40 HIEB C=CCn1c(SCC(=O)N2CCCC2)nc2sc(-c3ccccc3)cc2c1=O 1006960 FMLCKMSIOBUPAF-UHFFFAOYSA-N 411.552 4.026 30 40 HIEB COc1ccc(Br)cc1/C=N/Nc1nnc2c(n1)[nH]c1ccc(C)cc12 4611306 MXIBHVMAERMTRS-AWQFTUOYSA-N 411.263 4.032 30 40 HIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 4711862 POHCTFNDQGSEMM-PDGQHHTCSA-N 407.426 4.206 30 40 HIEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5179192 KMGBEPGWCGJEPM-PKSBALPTSA-N 403.228 4.006 30 40 HIEB CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C/C2=N\OC 33570960 CXZJGLZFAKAXPG-PSNMVERHSA-N 424.419 4.414 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 33615724 VVWLMWOYSJBFLZ-FOKLQQMPSA-N 409.914 4.275 30 40 HIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 36811450 BDVLIFSXWNEXPY-UHFFFAOYSA-N 407.440 4.070 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)SC1=S 408814043 QZZLZDLAXOYBGI-DHDCSXOGSA-N 417.424 4.150 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409174916 VPRDRNUBHWJIEQ-MHWRWJLKSA-N 417.248 4.111 30 40 HIEB Cc1sc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c(C#N)c1C 2742391 SFDOJTWFUKKBIP-UHFFFAOYSA-N 421.242 4.162 30 40 HIEB CCN(CC)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 5722234 XFNBSBJDRCRHLM-GJHDBBOXSA-N 402.538 4.297 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3n2C)n(Cc2ccco2)c1C 9834433 URSOMOOITSISEX-UHFFFAOYSA-N 419.510 4.235 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4Cl)CC3=O)n2)cc1 13687474 KIJZWAHOLBCLGH-UHFFFAOYSA-N 411.914 4.184 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C=O)cc3)c2C#N)C1 32124739 ICMFJJSTPISAPC-MRXNPFEDSA-N 424.522 4.379 30 40 HIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1OC 36357422 PUHIANXIPSESAG-SFHVURJKSA-N 403.438 4.025 30 40 HIEB C=CCN(C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 69846575 OKWWUOOSZIFMFA-UHFFFAOYSA-N 407.520 4.406 30 40 HIEB C[C@H]1CN(C(=O)c2cccc(C#N)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454648 ZODZMMUVEPBIIY-HNNXBMFYSA-N 409.461 4.483 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 102601032 HWQSWXPVLPBKQZ-YDJIHCHBSA-N 418.405 4.118 30 40 HIEB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)ccc1OCC#N 106781912 GEGJXYKLQITNDI-ZHZULCJRSA-N 424.478 4.021 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)cc1 408955638 XYLMYCILHOHREB-QNGOZBTKSA-N 418.522 4.444 30 40 HIEB CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409088215 WEFSNAKCZUDQJG-DHDCSXOGSA-N 412.250 4.077 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(F)cc1 409250172 PYWISRXZQGVQLW-DEDYPNTBSA-N 424.472 4.445 30 40 HIEB Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(C)c3C)[nH]c(=O)c2C#N)cc1 5238322 DZCNYOAPXZNYJN-MRXNPFEDSA-N 418.522 4.353 30 40 HIEB CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1F 6563901 XRALSRVULIHRJJ-UHFFFAOYSA-N 415.519 4.404 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 16726031 WMXKHPTZKWEUTO-LBPRGKRZSA-N 417.897 4.438 30 40 HIEB COc1ccc([C@H]2CCCN2C/C(O)=N/c2nnc(C3CCC3)s2)cc1OC 19658371 WLPLICPSEWBQHS-OAHLLOKOSA-N 402.520 4.248 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nncn2Cc2ccco2)n(C2CCCC2)c1C 22239876 GGQLPCGYORZIQL-UHFFFAOYSA-N 424.530 4.055 30 40 HIEB CCNc1c(/N=C(\O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(=O)oc2ccccc12 28048981 IRINIAUDDGMSFK-HNNXBMFYSA-N 405.454 4.174 30 40 HIEB N#Cc1c(Cl)nsc1N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 65512756 XEMQSXHYMCLETN-UHFFFAOYSA-N 422.263 4.452 30 40 HIEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709940 ZSQSWTBJEPYJEL-UHFFFAOYSA-N 423.557 4.422 30 40 HIEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)nc1 408932169 UOWOLRPYFDMZCH-HZHRSRAPSA-N 404.426 4.369 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)SC1=S 409339577 WMKNZMIQNCHINB-CPNJWEJPSA-N 424.547 4.400 30 40 HIEB CSc1ncc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)cn1 585294761 JQDITWYGSWXAIE-INIZCTEOSA-N 409.544 4.002 30 40 HIEB Oc1c(I)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2 704798 DDBUDMKFGZEGBA-QGMBQPNBSA-N 415.614 4.172 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nc4ccccc4[nH]3)c(C)c12 8765507 DKZXHAHRMPIBMJ-UHFFFAOYSA-N 417.465 4.422 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc2c(c1)OCO2 9290065 JLFZKEMBUMHSFM-UHFFFAOYSA-N 422.510 4.207 30 40 HIEB COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc(OC)c1OC 13714704 QLSQAHDIHODFRP-SXGWCWSVSA-N 404.875 4.257 30 40 HIEB Cc1ccc(COc2ccc(/C=N/Nc3nc(=O)c(C(C)(C)C)n[nH]3)cc2)c(C)c1 27525562 XGJPBKALMIYURZ-ZMOGYAJESA-N 405.502 4.104 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)c1 40051030 ZCODXDLASQRJEN-UHFFFAOYSA-N 414.417 4.342 30 40 HIEB CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 96019752 BQVNGWLRMCSWMG-UHFFFAOYSA-N 423.561 4.026 30 40 HIEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn(CC(C)C)c(=N)c32)cc1 101176022 RFDXFKMFQJSIIQ-IBGZPJMESA-N 407.514 4.195 30 40 HIEB CC[C@H](C)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O 104094892 VCQOHNLQNTWXMY-LBPRGKRZSA-N 416.429 4.431 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 104189200 LXUQGBJYDBENDX-GHNGSUTGSA-N 423.469 4.427 30 40 HIEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 169690759 WIFCKXHMDYGNCN-RVFWQWMXSA-N 420.896 4.450 30 40 HIEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)O 408790055 MVOHACZXNNOHDE-BXDIUNCMSA-N 424.522 4.041 30 40 HIEB Cc1ccccc1Cn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409223070 GDJHBUUFDIBSLD-YKTTYKNOSA-N 409.489 4.139 30 40 HIEB C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 2296433 ATPKTFARTZRQAD-CYBMUJFWSA-N 408.552 4.498 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2sc(CC)cc2c1=O 3268719 ZIOXVESNBJIAFR-AWEZNQCLSA-N 413.568 4.176 30 40 HIEB N#Cc1ccc(COC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 5861954 WTTIURJKGSPFBQ-QFIPXVFZSA-N 415.449 4.193 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1cccc(Cl)c1 6785183 VISKNDAJASLFMV-SELCWUDQSA-N 418.946 4.165 30 40 HIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 8778372 SGONILQWDFZREG-NRFANRHFSA-N 423.563 4.093 30 40 HIEB COCc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 10408679 GKPZLAITZXHJGV-UHFFFAOYSA-N 409.486 4.034 30 40 HIEB O=C(CSC[C@@H](O)CON=C1c2ccccc2-c2ccccc21)Nc1ccccc1 16839760 NLOOTNKDNPPPMO-SFHVURJKSA-N 418.518 4.169 30 40 HIEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Br)cc2)o1 36611339 FJXPRMJWEWTECG-GIJQJNRQSA-N 407.293 4.125 30 40 HIEB N#CCOc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(Cc4ccccc4)CC3)c2c1 40267390 GUZPVWNZBZKZRA-HSZRJFAPSA-N 403.482 4.151 30 40 HIEB CCOc1cccc(/C=N/c2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1O 100019148 QWMBVVCJAUGYPQ-KOEQRZSOSA-N 419.481 4.097 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C)cc2)cc1 102869122 RLSQGEHVIBRCTE-GHNGSUTGSA-N 405.479 4.090 30 40 HIEB Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1ccc(OCC(F)(F)F)nc1 103483190 CZQDLSJXNHIPSS-CQSZACIVSA-N 401.344 4.018 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 706852 SHPAUUCBNJBIII-UHFFFAOYSA-N 411.552 4.172 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C#N)c1 1223605 ACDXWMNVPASFIT-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 8991114 SRCBYUDSMFEUCT-HIPMGEKLSA-N 417.255 4.396 30 40 HIEB O=C(C[C@@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 13130428 KRICZPPOQIUNDJ-IBGZPJMESA-N 421.478 4.188 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)n1nc(C(F)(F)F)nc1N2 13816156 FJVULXVBRSXSRX-DIFFPNOSSA-N 416.359 4.011 30 40 HIEB CN/N=C(/CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841656 AYJVPGABEZOFAX-OSWZSTQVSA-N 419.525 4.082 30 40 HIEB Cc1ccc([N+](=O)[O-])cc1/N=C(/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCCC1 100542596 PHVVZKLRMUEWJK-VXPUYCOJSA-N 413.390 4.284 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102535731 AXXKTTZSGHFJKN-NHFXJNLRSA-N 406.413 4.311 30 40 HIEB COc1ccc(CC/N=C2\SCCN2C(=O)c2ccc(OC(F)F)cc2)cc1 105150044 AOHYEKVKUOYTIL-ATJXCDBQSA-N 406.454 4.084 30 40 HIEB CCN1C(C(=O)c2ccccc2)=C(N(C(C)C)C(C)C)c2ccccc2S1(=O)=O 2240760 IBYJVQXMIJXZMI-UHFFFAOYSA-N 412.555 4.381 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 4905456 AKSWROUCWIGWAG-SFHVURJKSA-N 403.475 4.281 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 5868852 YDRBQBPIKWTWOR-KRWDZBQOSA-N 411.527 4.235 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1 17058679 YTQIGFYRUCIMOM-QFIPXVFZSA-N 423.509 4.255 30 40 HIEB C[C@H](NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N)c1ccccc1 18137862 UQIWXPPFYKHVPN-ZDUSSCGKSA-N 419.535 4.105 30 40 HIEB CN1/C(=C\C(=O)c2cc3c(=O)n4ccccc4nc3s2)C(C)(C)c2ccccc21 18158474 OZOQHQLUOAYLIU-UYRXBGFRSA-N 401.491 4.403 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 1104388 CFVVGMHKYJXWHF-OAQYLSRUSA-N 419.477 4.120 30 40 HIEB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)cc1 4944111 RMYOMFWUNSQUID-WNSKOXEYSA-N 417.509 4.251 30 40 HIEB C=CCOc1ccc(/C=C2/C(=N)N3N=C(C(CC)CC)SC3=NC2=O)cc1OC 5529537 SIXUWUGTTSELBS-AXPJIBDUSA-N 412.515 4.315 30 40 HIEB N=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)SCc1ccccc1 6111879 BHWIBUSQOKXSAP-NJNXFGOHSA-N 400.507 4.395 30 40 HIEB C[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O 6129722 YJRGBBKBPXHOLB-RVYXMPNASA-N 402.317 4.303 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccccc2F)cc1 12389375 JSILQWHOQBESMV-ZUOKHONESA-N 406.417 4.197 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1 12662797 ZJBGYLBSDLCRTD-JAIQZWGSSA-N 412.438 4.041 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(C)cc1 14082393 FDGXQPXNYOHYFA-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB O=c1oc2ccccc2c(O)c1[C@@H](C/C(CCN1CCCC1)=N/O)c1ccccc1 17215208 WGWBUASVGLDXKO-HBTCSRNFSA-N 406.482 4.337 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)C1 19235453 YZYRSTLMOYIHQZ-VLUSQRCCSA-N 416.565 4.381 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@@H]12 19703255 OZEZSCLKRONVDV-HROMDODWSA-N 408.586 4.118 30 40 HIEB biogenic O=C(C[N+]1=C2SC=C(c3ccc(Br)cc3)N2CC1)c1ccccc1 20509036 JXSWDGUQFNZNAB-UHFFFAOYSA-N 400.321 4.061 30 40 HIEB Cc1ccccc1OCc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 26580388 DRLBRJBHKGSCSM-UHFFFAOYSA-N 408.889 4.414 30 40 HIEB CCOc1ccc(C(=O)NCCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35313084 QRQYNYMWKOZCGI-UHFFFAOYSA-N 402.498 4.354 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C\C23C4c5ccccc5[C@@H]2[C@@H]3c2ccccc24)cc1 71785374 COUAMXYFPQBXNB-LPMMLNSESA-N 400.503 4.286 30 40 HIEB N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 113480210 JTFSXGMVBSLNJR-OAHLLOKOSA-N 418.400 4.020 30 40 HIEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408941814 PSNAYKAZIPORPQ-GZTJUZNOSA-N 410.857 4.355 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccco2)[C@@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 2258331 HGRBKXLQZQPZDV-UGCAPWQASA-N 418.493 4.336 30 40 HIEB CCOC(=O)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1 4280355 UZGFGZPDBYQNTJ-UHFFFAOYSA-N 415.540 4.255 30 40 HIEB COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2cccs2)C1=O 4681480 ZIWKOJQWCGTETP-GUVYHVJLSA-N 410.879 4.361 30 40 HIEB COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@H]2C[C@H]2c2ccc(OC)cc2)cc1 5527069 DQHSSEBQPVXARH-GTQRJEEMSA-N 402.450 4.464 30 40 HIEB C[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 12742547 ZYOOYEANQJKUOP-HNNXBMFYSA-N 408.506 4.371 30 40 HIEB O=C(/C=C/c1cc(Br)ccc1OC(F)F)c1ccc2[nH]c(=O)[nH]c2c1 12801422 CSVFEPIQLANYBS-GORDUTHDSA-N 409.186 4.116 30 40 HIEB CCCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CCCC)cc1 16740975 LWSCKVFGPLDOBU-QZDOXPCSSA-N 422.616 4.211 30 40 HIEB O[C@@H]1OCCC[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 68568586 YEMOXYUOUXISBX-RFZPGFLSSA-N 420.165 4.470 30 40 HIEB biogenic CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 96316623 PSQYBQAQFDGIAG-RGVLZGJSSA-N 401.315 4.480 30 40 HIEB CCOC(=O)Oc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OC 138364683 PIMOWQCWSOJJRP-JMSNFKITSA-N 404.469 4.105 30 40 HIEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 408605277 YBUZLBCQDUAAAG-UHFFFAOYSA-N 409.667 4.309 30 40 HIEB Cc1ccc2nc(N=C(NC(=O)c3ccccc3)NC(=O)c3ccccc3)nc(C)c2c1 2267746 NMHRUHVDFAEQJR-UHFFFAOYSA-N 423.476 4.094 30 40 HIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc([N+](=O)[O-])c1 5551384 OCKIXOFFNIRTEG-ZROIWOOFSA-N 404.245 4.249 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCn1c([N+](=O)[O-])cnc1C 5903623 ZHDIHUHJGZHJQE-PKNBQFBNSA-N 421.453 4.474 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 13551713 XELWHAWRINIOTD-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1 14126766 YNSKBUQHBIOHMI-UHFFFAOYSA-N 408.527 4.391 30 40 HIEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 14397713 XMXYBFCHRLHDFD-ZSNDQIPUSA-N 403.482 4.416 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 19818188 NGXKMAGKQDPYPY-QHCPKHFHSA-N 403.478 4.407 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1 68752360 HYLRUOFRBPCRLB-JOCHJYFZSA-N 415.445 4.487 30 40 HIEB C=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](OC(=O)C[C@H](C)CC)[C@H]12 253370709 VARCUXZWTHLZBR-JPKTUMGVSA-N 406.519 4.132 30 40 HIEB biogenic,in-vitro O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)NCc1ccco1 408805665 BORWAXMXUKGCAC-UUYOSTAYSA-N 413.271 4.488 30 40 HIEB Fc1cc(/C=N\c2ccccc2I)ccc1N1CCOCC1 409139401 NHNCNVFGTYTSDC-NDENLUEZSA-N 410.230 4.018 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccc(OC)c1)C2 585106708 GESBQALUPVINOR-VWLOTQADSA-N 414.509 4.018 30 40 HIEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2692875 XPPBGCREZKHXRM-UHFFFAOYSA-N 423.519 4.014 30 40 HIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 4065858 YZCVORKVAHYZAI-JOCHJYFZSA-N 411.498 4.181 30 40 HIEB C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 4812084 ASAOGVYYVSTGTP-ZHALLVOQSA-N 405.546 4.168 30 40 HIEB C[C@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1)C(=O)O 5880842 RVQPOCHVYTWUGK-YAFRSCOQSA-N 402.859 4.084 30 40 HIEB C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)N(CCC#N)c1ccccc1 6141020 IVGSTKPFHBEGBG-QGZVFWFLSA-N 421.522 4.498 30 40 HIEB C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1O 6947790 MXSAHZWHTJJVLQ-HYARGMPZSA-N 401.304 4.470 30 40 HIEB C=C(C)CSc1nnc(SCc2c(C(=O)OCC)sc(N)c2C#N)s1 7230657 PTWHWIKIAVUPJL-UHFFFAOYSA-N 412.587 4.191 30 40 HIEB COc1ccccc1NC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)cnn1C 13119309 FPVBAVVATBTESR-ZMOGYAJESA-N 400.438 4.290 30 40 HIEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)on1 13570843 HTTPHXPKRWGCPV-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O 35146801 MVEYBBWMMSBPHV-VEUNDLRXSA-N 420.307 4.442 30 40 HIEB CCCCC1CCC(c2nc(C#N)c(N3CCN(Cc4nonc4C)CC3)o2)CC1 35671047 XSQGAKVKFCWNDS-UHFFFAOYSA-N 412.538 4.024 30 40 HIEB CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(Cl)s3)ccc2C#N)CC1 40564425 DUTIBUCNPIONSB-UHFFFAOYSA-N 404.923 4.392 30 40 HIEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224660421 KWNPFZVNYHSTBR-UHFFFAOYSA-N 411.907 4.056 30 40 HIEB O=C(O)COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408527442 AMXKCXLLXSGSPP-NVNXTCNLSA-N 423.277 4.348 30 40 HIEB COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)N2C)cc1 409022824 UAWUJIBSCBWFCK-HNNYNVTISA-N 405.479 4.425 30 40 HIEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)O 409218347 ULVHBUCAXZMXLQ-PCLIKHOPSA-N 403.482 4.380 30 40 HIEB CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 4024683 BHGMIXCYXMPJDA-JOCHJYFZSA-N 406.438 4.162 30 40 HIEB C=CCn1c(SCCOc2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 8401946 SGTZCFGHXUGEJY-LJQANCHMSA-N 413.474 4.287 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 9244010 IGYJZJDFYWTTTN-NRFANRHFSA-N 418.449 4.473 30 40 HIEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1-c1ccccc1 9668993 JQLQXHWLPCHFAR-UHFFFAOYSA-N 423.567 4.372 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2[C@H](C)CC)nnc1-c1ccoc1C 12984361 WLFWZKRICIUNSG-HIFRSBDPSA-N 414.535 4.319 30 40 HIEB CCOc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c([N+](=O)[O-])cc1OC 40049501 VYFFYYRTTHHXIF-UHFFFAOYSA-N 417.421 4.049 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102646787 WDALIJQOXKFOQV-YDJIHCHBSA-N 422.843 4.496 30 40 HIEB Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)c1ccc(CS(C)(=O)=O)cc1 103019270 PCVDUEBVJFZKEZ-VZCXRCSSSA-N 422.959 4.070 30 40 HIEB N#Cc1nc2c(-c3nc4ccccc4s3)c(N)n(Cc3ccccc3)c2nc1C#N 797593 XPCBSBMSQLFIQK-UHFFFAOYSA-N 407.462 4.082 30 40 HIEB O=C1/C(=C/c2ccccc2Br)Oc2c1ccc(O)c2CN1CCCC1 2431430 SKEWYKPZGKDRAW-WQRHYEAKSA-N 400.272 4.367 30 40 HIEB Cc1ccc(S(=O)(=O)N(C)C)cc1/N=C/C(Br)=C/c1ccccc1 4977783 LEKRKUVULUBDCH-ZJZHMBDPSA-N 407.333 4.384 30 40 HIEB Cc1cc(/C=N/n2c(SCC(=O)O)nnc2C2CCCCC2)c(C)n1CC(C)C 6542012 FLGMJAANQVKUHJ-SSDVNMTOSA-N 417.579 4.459 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 15223937 NYERNECKBAKABG-QZJKJAKNSA-N 409.489 4.221 30 40 HIEB C=CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cccc(C)c21 32097301 PLRSJSAOWYXUBC-QHCPKHFHSA-N 402.429 4.130 30 40 HIEB Cc1sc(=O)n(CC(=O)Nc2ccc(C#N)c(Cl)c2)c1-c1ccc(F)cc1 40129209 VHAZQNRBZWRNGJ-UHFFFAOYSA-N 401.850 4.188 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409244232 ZVNQSSSDRPHLLM-WOJGMQOQSA-N 415.276 4.407 30 40 HIEB C[C@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl 3257075 ADAJLEITRCFYCX-OAHLLOKOSA-N 402.372 4.286 30 40 HIEB C=CCn1c(SCC(=O)N(C)C2CCCCC2)nc2sc(CC)cc2c1=O 3268772 CIMXPXPPLLUMPH-UHFFFAOYSA-N 405.589 4.090 30 40 HIEB CC(=O)NN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C)c1 4109183 QKMIBOUSRHSBOT-KAXIZBKFSA-N 410.524 4.020 30 40 HIEB C=CCn1c(SCC(=O)OCCCCC)nc2sc3c(c2c1=O)CCCC3 5006826 LUKJOUGVKGBURB-UHFFFAOYSA-N 406.573 4.348 30 40 HIEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC)c1 11915312 KBHLPGMJIRENJW-QFIPXVFZSA-N 419.477 4.248 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)n2)c1 23078946 XOGAKXAJIGOVQA-UHFFFAOYSA-N 407.495 4.024 30 40 HIEB C=CCn1c(N)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 32779015 AMCKXMIBPQKORW-CQSZACIVSA-N 420.542 4.293 30 40 HIEB O=C1/C(=N\c2cccc([N+](=O)[O-])c2)C(n2nnc3ccccc32)=C(O)c2ccccc21 102878322 LAYIMYITHLBPDE-NMWGTECJSA-N 411.377 4.192 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(OCC)cc2OCC)C1=O 1018532 XFTGXRFDSGVWFL-OQLLNIDSSA-N 412.305 4.469 30 40 HIEB O=C(O)c1cccc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-2 4194827 MMYAUGMNUBQGBT-ZBJSNUHESA-N 404.338 4.046 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 4499409 UQUFJDYZUMDJJW-ISJGIBHGSA-N 423.509 4.103 30 40 HIEB CCc1ccc(C[C@@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 5546259 ZLNXZZAIMTUSPS-OFRWBKCASA-N 418.522 4.314 30 40 HIEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2 8156472 XDZWQLVCQZYUIB-AWEZNQCLSA-N 411.527 4.076 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4cccc(C)c4)C3=O)n2)cc1 12462775 IECANIMFFCVXAC-CLCOLTQESA-N 405.483 4.318 30 40 HIEB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC#N 15229270 SHLDYZGDOUPPTA-WQRHYEAKSA-N 414.870 4.487 30 40 HIEB N#Cc1c(CSc2nc(O)cc(=O)n2-c2ccc(Cl)cc2)cn2ccccc12 58245605 ARVUUUQWTLULHW-UHFFFAOYSA-N 408.870 4.008 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(Cl)cc1 102879329 VYWXBKVYQTXKDL-NHFXJNLRSA-N 422.843 4.496 30 40 HIEB CCCCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102886050 CTLBMGMBDRSSHV-YDJIHCHBSA-N 422.437 4.381 30 40 HIEB C=CCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)O)C3=C2C(=O)CCC3)c1 409071883 SQIAXGMQVAIBBZ-UHFFFAOYSA-N 421.493 4.140 30 40 HIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409102504 APFLIMRTXITINE-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N)cc3)C[C@@]21C 1570006794 CJDRTMOCVGHUEO-QOVNPHLHSA-N 405.538 4.488 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2sc(C)cc2c1=O 641582 MWPRHZJSNLLUAR-UHFFFAOYSA-N 415.540 4.000 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 5072619 XTMZLDMTKCINDM-XIGQRACRSA-N 414.490 4.357 30 40 HIEB C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 6409142 DWTAHXMYFRXGGO-INIZCTEOSA-N 400.434 4.038 30 40 HIEB C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 8991536 OKCNWBDKJUXBBA-OAPRFOFOSA-N 420.490 4.226 30 40 HIEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 9240790 SSADOHHUKNRCFT-NHFXJNLRSA-N 424.884 4.070 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3[nH]nc(C)c32)cc1O 18198335 IOPGHBKHZCAHAI-ZUOKHONESA-N 407.495 4.452 30 40 HIEB C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 22110658 UZUGOCHYSNBMOQ-UHFFFAOYSA-N 420.300 4.366 30 40 HIEB CCOC(=O)COc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1 32912822 VCSCECRLLVWQGK-IZZDOVSWSA-N 421.371 4.025 30 40 HIEB CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 4066111 FQCFUYOPAVKGGS-JOCHJYFZSA-N 411.542 4.433 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2sc(C)cc2c1=O 4552558 WFVFVWCBSVXUIP-UHFFFAOYSA-N 405.932 4.337 30 40 HIEB C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 4812085 WVZBAMUVPGMXKT-LBPRGKRZSA-N 402.589 4.462 30 40 HIEB Cc1nc(SCc2nc3ccccc3c(=O)n2CC#N)c2c3c(sc2n1)CCC3 9124774 XIOBEKUGFDRAJT-UHFFFAOYSA-N 419.535 4.014 30 40 HIEB Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(OCC#N)cc4)c3)nc12 10999233 CEHNLODVOCBDII-UHFFFAOYSA-N 412.449 4.376 30 40 HIEB CC(=O)Nc1ccc(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 17011397 MDURGJVISKCPIM-LJQANCHMSA-N 416.477 4.143 30 40 HIEB COC(OC)/C(C)=N/NC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 17109457 WUCKKJHMSZOXLN-BRJLIKDPSA-N 419.312 4.459 30 40 HIEB C=CCn1c(C)nn(CN2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S 69921206 DEPKHUICPUDIRR-SFHVURJKSA-N 423.627 4.224 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@H]12 72324083 OZEZSCLKRONVDV-CFXNPWLASA-N 408.586 4.118 30 40 HIEB biogenic COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 102578338 CZPQGGPVVSKTJT-FQEVSTJZSA-N 415.493 4.375 30 40 HIEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102601445 IZFSJLXTEVOPPY-LFVOPCPISA-N 409.825 4.261 30 40 HIEB C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225108793 CSVQUKDIOWAMDG-UHFFFAOYSA-N 414.296 4.287 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513928 AXGRQVBVMOVQIA-GUDVDZBRSA-N 410.322 4.480 30 40 HIEB COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1 409159844 ALKLQOLSENFYAX-KSILAZSTSA-N 410.857 4.140 30 40 HIEB CCCCCCCCCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C 2055036 ZOGZERLMROOTPZ-KAMYIIQDSA-N 412.987 4.409 30 40 HIEB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccccc1 2373508 SDOUYFFHCPTJRI-CVKSISIWSA-N 412.497 4.111 30 40 HIEB Oc1ccccc1CNCC[C@H](S)CC[C@@H](S)CCNCc1ccccc1O 4706513 IGTKLUJOZGTRLI-WOJBJXKFSA-N 420.644 4.134 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 9327744 CCGAPELLLUTCAR-LBPRGKRZSA-N 411.512 4.453 30 40 HIEB O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(O)c1)Nc1nonc1N2 12408475 HXCJKMHYFJPUII-YJYMSZOUSA-N 408.845 4.408 30 40 HIEB C=CCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 13609891 GMVKSIOWBQMZRY-UHFFFAOYSA-N 414.552 4.341 30 40 HIEB COc1cc(NC(=O)[C@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cc(OC)c1OC 49546490 JIQOOALUTZLIJZ-LBPRGKRZSA-N 413.861 4.168 30 40 HIEB CN(C)CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 65565473 DOFFTCQQXPRJGL-UHFFFAOYSA-N 412.493 4.368 30 40 HIEB C=CCOC(=O)c1ccc2oc(-c3ccc(I)cc3)nc2c1 73634077 WVLGCYDMEWFZKZ-UHFFFAOYSA-N 405.191 4.442 30 40 HIEB C#CCSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)c1 96011128 HAFMJAUYIMWJPQ-GOSISDBHSA-N 420.538 4.205 30 40 HIEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 101650454 CCJVDCJMCPMIME-CULCSUMMSA-N 405.882 4.378 30 40 HIEB CCOC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218499251 ZCYJWCYGXRGRLL-CEXWTWQISA-N 410.322 4.480 30 40 HIEB C=CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(I)c1 226332864 GEIISISFKJDJQC-SOFGYWHQSA-N 421.234 4.008 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(N2CCCCC2)o1 408797025 QSNQMQJKODHSGM-FQEVSTJZSA-N 404.466 4.011 30 40 HIEB Oc1ccccc1/N=C\c1cc(Br)cc(I)c1O 409100799 WTWFKHSKPYSGEZ-APSNUPSMSA-N 418.028 4.216 30 40 HIEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 1885078 UBHWIWDCUFELJM-VXLYETTFSA-N 403.851 4.450 30 40 HIEB C=CCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2295778 YUJGOWBYLFHJCH-UHFFFAOYSA-N 411.387 4.091 30 40 HIEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O 4889134 WMVWANYBUHFNCK-PPPMLJSVSA-N 411.527 4.338 30 40 HIEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5671645 ROZJSFYIZTWXDD-VXLYETTFSA-N 403.851 4.450 30 40 HIEB CC(C)=N/N=c1\scc(-c2ccccc2)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 6455891 YTOFYMVSURAECB-BZZOAKBMSA-N 417.538 4.300 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2C#N)C1 6764131 VMIHCAYHJNJLPK-LLVKDONJSA-N 403.960 4.454 30 40 HIEB COC(=O)c1cccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)c1 7343443 VGVNRHBXEROJOM-ZVHZXABRSA-N 401.470 4.213 30 40 HIEB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N/N=C1\C(C)=NN=C1O 8872866 FOBJRWOHUMBYHN-UHFFFAOYSA-N 420.256 4.368 30 40 HIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 9420550 OFTQNSWGUWDSAE-HIPMGEKLSA-N 417.255 4.396 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccn2C)n(Cc2cccs2)c1C 12568187 GAMQXMMCOAOCQP-NRFANRHFSA-N 421.570 4.201 30 40 HIEB CCOc1c(O)ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c1[N+](=O)[O-] 15015810 UMZMBWDABHGLBZ-ZSOIEALJSA-N 419.846 4.244 30 40 HIEB Cc1sc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c(C#N)c1C 17090501 OWAHJTLVMAIOQM-UHFFFAOYSA-N 416.300 4.405 30 40 HIEB C=CCOc1ccc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19550200 CSPDGJOGJJSURP-HSZRJFAPSA-N 422.456 4.161 30 40 HIEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCc1ccccn1)C2 49171872 JEBPALWVXCDSHC-VXKWHMMOSA-N 402.542 4.140 30 40 HIEB biogenic,in-vitro CCCCCCCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 97987852 IZFUNDQMMNGNQS-UHFFFAOYSA-N 400.548 4.243 30 40 HIEB CCN1CC[C@](O)(/C=C\c2ccc(OC)cc2)[C@H](C(=O)/C=C\c2ccc(OC)cc2)C1 104300649 JYLZSDOALDKVPO-PKKQBCAJSA-N 421.537 4.072 30 40 HIEB COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)cc1 1452949 PLXYNRAXHIJMSD-RSFOSLOZSA-N 421.494 4.174 30 40 HIEB COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 4158542 MSCRTPOHJCSEKE-CTJICSLTSA-N 408.310 4.166 30 40 HIEB COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2c(Cl)cccc2Cl)S1 5234009 PQRSHJYJOXJVSL-CTJICSLTSA-N 408.310 4.166 30 40 HIEB C=CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccccc1Cl 8726092 FBEAWAROILXCAH-UHFFFAOYSA-N 403.873 4.111 30 40 HIEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cc2ccccc2o1 8784775 MQZSCZTXJUZHPO-UHFFFAOYSA-N 403.467 4.314 30 40 HIEB COc1ccc(CN2C(=O)CS/C2=N/N=C(/C)c2ccc(OC(C)C)cc2)cc1 12437290 APNCGXUGASGTDJ-BETBSNSTSA-N 411.527 4.338 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)c(OC)c1 13127045 MBXMRLIGVHEUNK-NPMXOYFQSA-N 416.481 4.019 30 40 HIEB COc1ccc(C)cc1/N=C1\SCCCN1C(=O)c1cc(=O)[nH]c2ccccc12 18045191 JULADPNKMDIXJM-GYHWCHFESA-N 407.495 4.112 30 40 HIEB O=S(=O)(/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)s1 95350661 MYDSDDLJPCESHA-HNQUOIGGSA-N 420.295 4.185 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100302789 YBNSKGUKYSIPSP-BQWHAEAJSA-N 400.478 4.014 30 40 HIEB COc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)ccc1O 409290977 OAFYICNKTFRWGY-UHFFFAOYSA-N 411.417 4.406 30 40 HIEB Cc1ccccc1OCCC(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 3279934 RPVBJEUPDBTVMS-CQSZACIVSA-N 412.511 4.004 30 40 HIEB CC[C@H](C)c1ccc(OCCCOc2c(/C=N/NC(N)=S)cccc2OC)cc1 4600158 ACKGINTVHSYHNJ-WTJYETQFSA-N 415.559 4.224 30 40 HIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O 4910412 YSPDCKCOBOJXJC-GOSISDBHSA-N 405.498 4.016 30 40 HIEB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl 9042058 POGGKCNJQGHJHG-ZDUSSCGKSA-N 424.913 4.390 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19972808 IABVJLGSZSZKSY-QFIPXVFZSA-N 402.494 4.429 30 40 HIEB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1 21722533 GLIRXEZUBSCVCI-JOCHJYFZSA-N 407.543 4.160 30 40 HIEB COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)c1 36066012 DAVAYDQMGPVISK-HJGVYBFFSA-N 409.482 4.258 30 40 HIEB C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224874017 VDTJONTYSWEYHW-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB C=CCN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224968723 AWFXWPUVVCSOFW-UHFFFAOYSA-N 423.918 4.215 30 40 HIEB COc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccc(C)cc1 252429334 DUGKZXRSFRKBIQ-UHFFFAOYSA-N 403.305 4.196 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(CC)cc2)C1=O 409055343 YSSYOZOAHFVSNE-RGEXLXHISA-N 421.518 4.419 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccc(Cl)cc1 409146940 VQEAQCHTVJOICY-JNVMQLBYSA-N 420.896 4.450 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F 1438559 IMICYJXCLONDQP-CMJOXMDJSA-N 421.468 4.369 30 40 HIEB O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc(O)c2CN1CCCC1 2230941 MMDMYZWOYIIQKP-WQRHYEAKSA-N 400.272 4.367 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 4996895 UUNZZQDVXLRECN-MAVBTGMRSA-N 411.527 4.292 30 40 HIEB CCCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 5030835 WMLDAOBAVKCBBR-ZMOGYAJESA-N 406.515 4.030 30 40 HIEB CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2)N(C)C1=O 5752769 KVGFITSFAYUOSU-XGIGFIBQSA-N 417.918 4.329 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O 6901217 MMURDXBMNQFPOY-JJRVBVJISA-N 419.978 4.269 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 8845237 OTGQWGNUVQDSLN-SPLOXXLWSA-N 419.433 4.283 30 40 HIEB CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)c1 14251256 JCXVVSCDEWLHQA-UHFFFAOYSA-N 423.494 4.497 30 40 HIEB O=c1[nH]c2ccccc2c2c1[C@H](c1ccccc1)N/C(=N\c1nc3ccccc3o1)N2 22418716 YTAVILPDBNGVIJ-FQEVSTJZSA-N 407.433 4.462 30 40 HIEB C=CCc1cc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc(OC)c1O 408799053 XVYRGTZZCWOZQF-JBFWGNJVSA-N 424.478 4.061 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 409406442 JXMLMNHIVWVEGK-JLMKVHRTSA-N 401.249 4.394 30 40 HIEB C=CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)n1C 3041845 PWPGKHZPUZXPQD-UHFFFAOYSA-N 407.326 4.277 30 40 HIEB COc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 3073721 PAFORFODQVWLDI-JOCHJYFZSA-N 408.542 4.312 30 40 HIEB CCOCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 4543459 KFCBDPLKEBAHOW-OCIPIQTLSA-N 412.511 4.344 30 40 HIEB C=CCOc1c(Cl)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OCC 4631925 ZUZVIDYCSXTAQL-LDADJPATSA-N 412.898 4.074 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)c(OCC)c1 5728105 MNDHKTAUGWIJPU-OAQYLSRUSA-N 419.477 4.225 30 40 HIEB CCOc1cc(C#N)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5953449 VAQMYYXKIAXTFI-UHFFFAOYSA-N 408.164 4.328 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 7990976 LPDPASHDSPLHRX-OAHLLOKOSA-N 417.918 4.096 30 40 HIEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8419247 DNQVDOJDDYRZRY-WOJGMQOQSA-N 407.407 4.452 30 40 HIEB Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1NS(=O)(=O)c1ccccc1 10370668 FJYCSZKMFZOXQV-UHFFFAOYSA-N 405.479 4.114 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(Cc2ccccc2)C(C)C)n(Cc2ccco2)c1C 10931087 IQRQCEGIQVLSBP-UHFFFAOYSA-N 404.514 4.467 30 40 HIEB Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)o2)cc1 12418589 JVLYCJXEQAAGBA-ZHACJKMWSA-N 416.456 4.127 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@@H](C)C3)C2=O)cc1OC 13653801 HDXWJGFKVFUHGT-SRMCNWIXSA-N 409.482 4.258 30 40 HIEB biogenic COc1cccc(-c2cc3nc(SCC#N)n(Cc4cccnc4)c(=O)c3s2)c1 19797153 CMMNTMLHYLXRBX-UHFFFAOYSA-N 420.519 4.193 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33088706 XZHCOPYAUMTIKC-UHFFFAOYSA-N 420.490 4.309 30 40 HIEB CCCCCCCN(C(C)=O)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 33354317 UBNKHBMJVFDTDJ-QGZVFWFLSA-N 414.424 4.036 30 40 HIEB COc1cc(Br)c(-c2c(-c3ccccc3)cnc(N)c2C#N)cc1OC 408978474 IPWKUBDKSBWASK-UHFFFAOYSA-N 410.271 4.649 30 40 HIEB C#CCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(c2ccc(OC)cc2)CC1 1391372 LNQSMIOOZKVIJM-UHFFFAOYSA-N 412.537 4.271 30 40 HIEB N#C[C@@H](C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 3334966 ZXOWUNFZWAYKRA-ZDUSSCGKSA-N 401.241 4.016 30 40 HIEB N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)s2)cc1 3360216 LGVUOKBZPKMLBW-SOFGYWHQSA-N 422.491 4.083 30 40 HIEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(-c4ccccc4)nn32)ccc1O 4106343 CNJRSLQAOVWEBM-OAQYLSRUSA-N 402.454 4.071 30 40 HIEB C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cc(OC)c(OC)c(OC)c1 4476795 YJGUSAHUHWPTLH-WSBZWDBJSA-N 409.511 4.363 30 40 HIEB C(=N/Nc1nnnn1-c1cccc2ccccc12)\c1ccc(OCc2ccccn2)cc1 8809768 CFVJBXSPNDNEQT-WGOQTCKBSA-N 421.464 4.236 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 13714876 PSZHKWROVHVRFI-LJQANCHMSA-N 422.934 4.088 30 40 HIEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 15996783 KKLOEHIWPXZXEA-GUDVDZBRSA-N 409.276 4.006 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)OC)cc2OC)cc1OC 29623372 WRXGBFYNFMMUOY-QHKWOANTSA-N 424.449 4.074 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2cccc(C)c21 32104632 YJEJVHXVKPWQHT-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB COc1ccc(NC(=S)NCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35312869 YAGLHTJTPLRBAU-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCC#N 36759428 KFVDGVWELBQPSK-WEVVVXLNSA-N 419.403 4.334 30 40 HIEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccs2)C(CC)CC)cc1 40158091 RQCKJRYNPZOXQC-IBGZPJMESA-N 406.573 4.120 30 40 HIEB O=C1/C(=C2/Sc3ccc4c(c3C2=O)C(=O)c2ccccc2C4=O)Nc2ccccc21 100368022 MICHMZLWLWRNGG-CLCOLTQESA-N 409.422 4.270 30 40 HIEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)c1 101650448 CCJVDCJMCPMIME-IHIJCHFRSA-N 405.882 4.378 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 102858357 UTDHPGQUFUIXFN-YDJIHCHBSA-N 420.852 4.370 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 103459482 XXIAUQLGBJCRQD-IHIJCHFRSA-N 405.882 4.459 30 40 HIEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(SC)cc1 224993581 LCJRVKGRQAGUNM-UHFFFAOYSA-N 405.541 4.275 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1 408764009 HTQIUIUFJJJTRM-ZDLGFXPLSA-N 413.455 4.066 30 40 HIEB O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1-c1ccccc1 2418074 TXFDTSOMPRJRDH-JFLMPSFJSA-N 416.444 4.166 30 40 HIEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 4603991 ADBGZNRJJMJJSD-YDZHTSKRSA-N 409.373 4.408 30 40 HIEB CC1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)CC1 5025191 VECNAZHXJOSSLT-IBGZPJMESA-N 400.482 4.217 30 40 HIEB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC 5866924 QOQYZHMTHWYCBQ-IBGZPJMESA-N 400.862 4.258 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2sc(CC)cc2c1=O 13129412 MYGQVBSOKPLDHO-ZDUSSCGKSA-N 424.551 4.197 30 40 HIEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 13939662 HKDPTOWTXBDVGT-MOSHPQCFSA-N 411.454 4.473 30 40 HIEB COc1cc(/C=N\OCC(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1 34869890 QCCVYAJZXXWNGM-QFEZKATASA-N 408.429 4.403 30 40 HIEB Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2F)n1 47409267 AXKDPUPNWLOLKR-UHFFFAOYSA-N 403.417 4.444 30 40 HIEB N#Cc1ccc(NC(=O)CCN(CCc2ccccn2)Cc2ccc(F)cc2)cc1 58357219 NJQYBENRKINOIM-UHFFFAOYSA-N 402.473 4.166 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718704 FPZUPDWKFLGWOC-CQSZACIVSA-N 404.388 4.262 30 40 HIEB COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1Cl 408771977 KKXSMIZLAMSBFA-CIAFOILYSA-N 404.875 4.171 30 40 HIEB COc1ccc(OC)c(NC(=O)CCCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1 1613954 AUMSWFMYNMBYEC-HNNXBMFYSA-N 423.494 4.299 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(OC)cc1 2446880 IRSPIEHVUWJLAY-UHFFFAOYSA-N 409.511 4.335 30 40 HIEB CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1 4093477 LXQNASURLGZXDD-OAQYLSRUSA-N 418.449 4.160 30 40 HIEB CNc1c(N/C(O)=N/c2ccc(Br)cc2F)c(=O)oc2ccccc12 28048769 MZGDEHJRSDYIKV-UHFFFAOYSA-N 406.211 4.394 30 40 HIEB C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(OC)c1OC 59135571 PDVMQWYYLBIIQV-GZTJUZNOSA-N 410.401 4.078 30 40 HIEB COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCn3nccc3C)cc1)C2 95478265 WGCPBRZMTZPTLS-UNOMPAQXSA-N 404.466 4.110 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 102929597 PGQFWJPXDANGEO-NHFXJNLRSA-N 418.405 4.118 30 40 HIEB C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 106922133 CYAUFBFVVKTCCG-JKSBSHDWSA-N 403.592 4.044 30 40 HIEB CCc1nc(S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C(=O)O)n[nH]1 213403325 MPNCXHVHUFIJFZ-WQRHYEAKSA-N 406.467 4.036 30 40 HIEB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)NC1=S 409090700 NLMVEUHEUVEIAB-WQRHYEAKSA-N 411.914 4.258 30 40 HIEB C=CCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409100968 WEUUMUAKZGBYBC-MHWRWJLKSA-N 413.411 4.013 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 2055222 CQBFXLHUNCZIFJ-OAQYLSRUSA-N 413.514 4.261 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccc(OC)c1 5478383 GSPBELUZXAJRRI-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB C=CCc1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 6020968 ZOPUPXKPXCSWAE-HNNXBMFYSA-N 402.487 4.468 30 40 HIEB endogenous,in-man C#CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 6960582 DTCLEFYOMKTSIR-HXUWFJFHSA-N 413.470 4.043 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)c1 8022290 FCAZPPUXKYBATJ-NRFANRHFSA-N 409.482 4.089 30 40 HIEB Cc1ccc(-c2noc([C@@]3(C#N)Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)n2)cc1 8780099 IPYQTKGPGJMBNG-NFBKMPQASA-N 415.453 4.330 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 19855082 HSAXTSHTYHIOGA-QFIPXVFZSA-N 418.449 4.306 30 40 HIEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(Br)ccc1F 43748131 ANDMGGFPOYWFCE-UHFFFAOYSA-N 402.223 4.082 30 40 HIEB C=CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1ccccc1 58152126 ZRNIEHPAGNOGCS-UHFFFAOYSA-N 409.540 4.338 30 40 HIEB CCN1C(=O)/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C(O)=NC1=S 59182280 GSHRHXXRGUSFMG-OVCLIPMQSA-N 412.540 4.131 30 40 HIEB O=C1[C@@H](O/N=C/c2ccccc2OC(F)F)CCN1c1ccc(C(F)(F)F)cc1 72282330 ADILLRWJNQEFPP-HDDDNDSPSA-N 414.330 4.463 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CC2)C1 72391203 GBFITRVPTLDHFU-DEOSSOPVSA-N 408.567 4.279 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)no1 102369266 DUAJJHYMHKXONE-WOOAAIBNSA-N 424.478 4.458 30 40 HIEB O=C(N1CCCCCC1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 104809698 WLURDAWPUYVGLO-MRVPVSSYSA-N 411.211 4.424 30 40 HIEB COc1ccc(OC)c(/C=C2/S/C(=N\c3cccc(Br)c3)NC2=O)c1 1314014 TWMZIEVBTYYECO-CXUHLZMHSA-N 419.300 4.358 30 40 HIEB CCCn1cc(S(=O)(=O)C/C(O)=N/c2ccc(OC)cc2OC)c2ccccc21 2722226 FNALSBOLSPRKFR-UHFFFAOYSA-N 416.499 4.130 30 40 HIEB Cc1sc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C#N)c1C 3375741 YHRHZYMOYVDLPS-UHFFFAOYSA-N 412.327 4.317 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 4700684 JBKUWSHJZUDZJY-DVCONVQISA-N 417.918 4.329 30 40 HIEB Cc1cc(N/N=C/c2cc(Br)ccc2O)nc(NCc2ccccc2)n1 4856639 ZRJWHKXJNTWQDA-WSDLNYQXSA-N 412.291 4.311 30 40 HIEB COc1cc(OC)c(OC)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O 5661013 ZILWHIGABPNMBV-MFOYZWKCSA-N 404.875 4.257 30 40 HIEB CCN/C(=N\c1ccc(F)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 6050171 IDBWDEKMPIKJAL-MRXNPFEDSA-N 405.882 4.141 30 40 HIEB Cc1ccc2c(c1)CCCN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 9477884 OSNZHQRLBNENJU-UHFFFAOYSA-N 402.498 4.318 30 40 HIEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)NC1=S 9637666 BMRPWBFNMLSDGX-UYRXBGFRSA-N 420.925 4.436 30 40 HIEB C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccccc1[N+](=O)[O-] 12649324 AGTJZFMJBSBSNX-HNRAKDTKSA-N 404.398 4.139 30 40 HIEB C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)CCc3ccco3)c(=O)oc2c1 13625669 JQKSUBBJJSJRSR-MRXNPFEDSA-N 409.482 4.329 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 18178433 LRGISZXPXMCQQS-NRFANRHFSA-N 403.434 4.375 30 40 HIEB C=CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 28286897 ZFSSMYXBDJULIA-SNVBAGLBSA-N 400.485 4.047 30 40 HIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2cccc(C)c21 32097303 PLRSJSAOWYXUBC-HSZRJFAPSA-N 402.429 4.130 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cn(Cc3ccccc3)c3ccccc13)[C@H]1C=C[C@H]2CC1 100181853 NYERNECKBAKABG-HEKBCAIESA-N 409.489 4.221 30 40 HIEB COc1cc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCC(C)C 100791278 MPRRNXRRGLPWSV-KRWDZBQOSA-N 406.434 4.094 30 40 HIEB biogenic CCOc1cc(Br)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408595195 VXJZUJBVKXWGOF-VXLYETTFSA-N 409.236 4.315 30 40 HIEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1cccc2ccccc12 409407754 OBUBLEDAPRWXGT-CVKIWWORSA-N 409.489 4.388 30 40 HIEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc(O)cc2)CC(=O)O3)C1=O 1081801674 JGLIHGSIUBTIAW-IUOVYFEOSA-N 414.413 4.458 30 40 HIEB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3cc4c(cc3cc2C#N)OCO4)cc1 1360927 QIZLTZLIXWGKED-ZDUSSCGKSA-N 419.462 4.157 30 40 HIEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O 2105430 CLZXYCNPSZDVMM-FBHDLOMBSA-N 422.389 4.141 30 40 HIEB biogenic CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)c(OC)c1 4919065 JJOXAJBQAZGCHL-CVDCTZTESA-N 410.466 4.032 30 40 HIEB COc1cc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc(OC)c1OC 8469940 MXBLIARBKKNPKQ-MDZDMXLPSA-N 405.454 4.397 30 40 HIEB aggregator N#CCCn1cc(/C=C2/N=C(S)N(c3ccccc3)C2=O)c(-c2ccc(F)cc2)n1 34782153 GOXNNUSIVUHQJV-CPNJWEJPSA-N 417.469 4.276 30 40 HIEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(CC)C2=O)ccc1O 35656350 IGTXQXSOZGSVIE-WBCKRXDOSA-N 412.467 4.113 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 102858355 UTDHPGQUFUIXFN-NHFXJNLRSA-N 420.852 4.370 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)SC1=S 408806598 AISSBWWZUCYXKV-YBEGLDIGSA-N 402.453 4.251 30 40 HIEB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(C#CC(C)(C)O)cc2)cc1 1101467 ZPMMELRRZIQEGJ-HXUWFJFHSA-N 412.580 4.262 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 2644106 AIFZQVGACKLUHF-UHFFFAOYSA-N 418.503 4.254 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@@H](O)CN3[C@@H](C)CCC[C@@H]3C)cc2)c1O 4754072 BDVWBPNTQNOQKA-BOBOBANLSA-N 412.530 4.154 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1 4814857 GMLMWFJNMUREFP-UHFFFAOYSA-N 409.511 4.432 30 40 HIEB COCC/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1ccc(C)cc1)OCO4 4858510 UXACYOSWWVLYEP-VHXPQNKSSA-N 421.522 4.382 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccncc1 6908437 WSDDBWKIHYXZIC-UHFFFAOYSA-N 401.495 4.410 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 13692664 CCSZJIFWIJLNKG-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2F)o1 14152710 KUUYYBACPSNXCV-UHFFFAOYSA-N 418.837 4.044 30 40 HIEB COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O 18126753 VMUHQUVORUTNKF-LJQANCHMSA-N 415.873 4.289 30 40 HIEB Cc1cc(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 19849879 RULGETARXQWKMJ-ZVBGSRNCSA-N 412.324 4.067 30 40 HIEB Cc1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n2c(nc3ccccc32)c1C#N 25251922 SHTGVNJNBCTSIT-HNNXBMFYSA-N 404.495 4.244 30 40 HIEB Cc1nn(CC(=O)c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(=O)c(C#N)c1C 44030361 FUINRJFPHDZLRJ-UHFFFAOYSA-N 416.525 4.320 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 72391224 OIAKUFGOAZWXEY-VLUSQRCCSA-N 416.565 4.463 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1[C@@H]2c1ccccc1 101147455 AQKUNUCDZWXFPG-LJQANCHMSA-N 401.466 4.171 30 40 HIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 408932420 WXGKHGRKRVEBPM-YZSQISJMSA-N 417.509 4.468 30 40 HIEB CCOC(=O)COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OCC 408943868 ZHCILOJFVXGWIF-MSXFZWOLSA-N 410.392 4.492 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)S2)cc1 408960617 HHARRHFKAZAGEN-DEDYPNTBSA-N 404.495 4.389 30 40 HIEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1C#N 409107077 UPWPOOURGDJCBB-AFUMVMLFSA-N 417.425 4.285 30 40 HIEB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCC3)c12 409139985 PLJPNVHGMWZCAS-UHFFFAOYSA-N 412.489 4.289 30 40 HIEB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)c(C)c1 409374660 WAMNHHFHHCINHX-VCHYOVAHSA-N 405.479 4.159 30 40 HIEB O=C(Nc1ccccc1)[C@@H]1CC(O)=N/C(=N\c2ccc(Oc3ccccc3)cc2)N1 2208578 AOOUPFHAFJGAJT-FQEVSTJZSA-N 400.438 4.424 30 40 HIEB COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)ccc1O 4987409 UHFCYJHNCXGLCS-IEBWSBKVSA-N 421.493 4.192 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 6813947 SXTHGNOVKHOEQK-FQEVSTJZSA-N 400.390 4.378 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 13208244 HBJIOGGAUVLXLQ-FQEVSTJZSA-N 407.397 4.206 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)cc1 13653822 GGSMOFWEZDPHKD-PJMHOZITSA-N 407.466 4.169 30 40 HIEB biogenic C=CCn1c(S[C@H](C)C(=O)NC2CC2)nc2cc(-c3ccccc3)sc2c1=O 14199221 LEUVVAAKEWPYHX-CYBMUJFWSA-N 411.552 4.070 30 40 HIEB N#Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 32829908 YQGKMKTWJBODCS-UHFFFAOYSA-N 423.473 4.051 30 40 HIEB C(=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N/C1CCCCC1)\c1cccnc1 103372021 ZFVJXUWEKBVRHD-PZGDPEPUSA-N 420.538 4.498 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC 106788326 RXVSPLYUHSFTMZ-QNGOZBTKSA-N 423.490 4.131 30 40 HIEB O=C1[C@H](c2ccccc2)SC(=Nc2ccccc2)N1S(=O)(=O)c1ccccc1 254556531 GXJKSVVWQRWBMW-IBGZPJMESA-N 408.504 4.380 30 40 HIEB aggregator Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(N(C)C)cc1 408740877 NHMZGXBAZVWLID-LPYMAVHISA-N 422.445 4.423 30 40 HIEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1C 409023789 PTRPQGHETCGZCV-UDWIEESQSA-N 411.417 4.102 30 40 HIEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(Br)cc1O 409213960 VNUYYSWXIMJICB-CNBVIVQRSA-N 413.337 4.252 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 409244934 KRSOYFCVNWFVDM-FOWTUZBSSA-N 421.909 4.312 30 40 HIEB COCCn1c(C)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1C 409291264 AENKZDYIFCEXPJ-UHFFFAOYSA-N 406.530 4.391 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(C)c2ccccc12 409297310 WBANNJKYCZTKCK-UHFFFAOYSA-N 409.287 4.095 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1 907339 UKPWRYQKCJVCBE-UHFFFAOYSA-N 405.479 4.439 30 40 HIEB CCCOc1ccc(-c2nc(C#N)c(N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 2420939 DICFEGWVDDVVRI-UHFFFAOYSA-N 418.497 4.337 30 40 HIEB Cc1sc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c(C#N)c1C 3266087 DTLXOCMLYTUBJD-UHFFFAOYSA-N 400.554 4.461 30 40 HIEB O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@H]1c1ccccc1F)c1ccccc1 4170985 SUMNRIOHKCTGNC-QFIPXVFZSA-N 417.436 4.352 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC 4498550 MNLFFKLOGJMAIE-ATVHPVEESA-N 418.946 4.093 30 40 HIEB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 9042051 GHAQMWDXMMDIPG-CYBMUJFWSA-N 424.913 4.390 30 40 HIEB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(Cl)s3)c2C#N)C1 10061035 OMEFEPMEJFNXRT-UHFFFAOYSA-N 409.920 4.030 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1O 12345152 IURQOJBLZMDDEA-KEVCNVLYSA-N 409.526 4.153 30 40 HIEB CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(C#N)cc1 16890400 NNRDFSHBVFUVTO-CLCOLTQESA-N 400.221 4.120 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CCC2)C1 19015715 XNBAMGAUMXVFCL-AREMUKBSSA-N 417.553 4.002 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)[C@H]2C[C@H]2C)C1 19235450 YZYRSTLMOYIHQZ-MHLNXUHPSA-N 416.565 4.381 30 40 HIEB N/C(=N/OCc1coc(-c2cccc(F)c2)n1)c1ccccc1CN1CCCCC1 58085033 HQNAIMASJCPVRI-UHFFFAOYSA-N 408.477 4.304 30 40 HIEB O=C1/C(=N/Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100005994 LBJWXPKAHPPWJP-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCN(C)CC3)/C2=N\C(C)(C)C)cc1 101377331 XLETZUHTAOQDID-XIPYDIPCSA-N 410.606 4.105 30 40 HIEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)c(C)c1 223762067 ARDNKMNTOWHNKO-PYCFMQQDSA-N 416.344 4.344 30 40 HIEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 408760589 BHSRUPCBEFGHEM-FCQRQVBFSA-N 406.294 4.068 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc2ccccc12 5045090 RPORTKZCACFBAU-QFIPXVFZSA-N 417.461 4.073 30 40 HIEB COc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)c(Cl)cc1OCc1ccccc1 6555571 KEOGATOLVIAJLX-WQRHYEAKSA-N 409.873 4.443 30 40 HIEB CCOC(=O)c1sc(NC(=O)CCCOc2ccccc2OCC)c(C#N)c1C 6578718 GREIAZHHYGNWTG-UHFFFAOYSA-N 416.499 4.301 30 40 HIEB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C 6619216 PARWFLYKVZIULL-UHFFFAOYSA-N 407.857 4.426 30 40 HIEB COc1cc(-c2nnc(SCCC#N)n2-c2ccccc2F)cc(OC)c1OC 12511920 FUWOLPDSBLTNLK-UHFFFAOYSA-N 414.462 4.105 30 40 HIEB CCOC(=O)c1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)cc1 13152201 NYYDKQXBUSGCKM-UHFFFAOYSA-N 408.479 4.111 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(CC)cc1 13843738 YMRPGHAEIFMDGJ-HGRLKPHYSA-N 412.536 4.096 30 40 HIEB C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)ccc1OC 36360347 QYXXLVQMTAUBMM-SFHVURJKSA-N 403.438 4.025 30 40 HIEB N#C[C@@H](C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1 41553041 WPXVZZNLOLMIGW-CQSZACIVSA-N 407.779 4.371 30 40 HIEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1 102532530 FKHQIKMPFHAGFS-LFVOPCPISA-N 420.490 4.395 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2Cl)cc1 104692806 NYKIABUGZIZMNI-HYBGDYFVSA-N 406.869 4.060 30 40 HIEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1cc(Cl)cc(Cl)c1 408536585 SDUSXZJAACELHL-CQSZACIVSA-N 410.644 4.248 30 40 HIEB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccc(C)cc1 408915225 XHVBTUOSCYUVNZ-QAYCKWNISA-N 423.538 4.262 30 40 HIEB COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OCc1ccc(C(=O)O)cc1 409186547 DPHOMVFQNYLIBF-UHFFFAOYSA-N 414.413 4.435 30 40 HIEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NC1CCCCC1 409362604 RVCILUXFFSYDNB-UHFFFAOYSA-N 416.616 4.439 30 40 HIEB Cc1ccc(Cl)cc1-n1c(C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 409409674 WIWLPSJIAKQGJL-SNHGZMDHSA-N 407.901 4.197 30 40 HIEB N#CCn1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531384596 IRKSQCVTMCOSRG-JVWAILMASA-N 403.445 4.424 30 40 HIEB CC[C@@H](C)c1ccc(OCCCOc2c(/C=N/NC(N)=S)cccc2OC)cc1 4600157 ACKGINTVHSYHNJ-DTVDJLOLSA-N 415.559 4.224 30 40 HIEB O=C(C1=C(C(F)F)Nc2ncnn2[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 6926485 XNRLRQCAMUZTMG-INIZCTEOSA-N 404.779 4.488 30 40 HIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 8778371 SGONILQWDFZREG-OAQYLSRUSA-N 423.563 4.093 30 40 HIEB C=CCn1c(C)cc(C(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1C 14244032 YQIHQQJTIAPXOQ-UHFFFAOYSA-N 415.415 4.416 30 40 HIEB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 41590566 FXRRYMLXNJZPCS-UHFFFAOYSA-N 409.442 4.059 30 40 HIEB Cc1cc(C)c(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(C)c1 59514432 SBPIVJISRINTGG-LFVJCYFKSA-N 407.566 4.223 30 40 HIEB COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCCN(Cc3cccc(C#N)c3)C1)CC2 72342494 CRAGOBZFCVZJGN-XMSQKQJNSA-N 405.542 4.159 30 40 HIEB COc1ccccc1-c1noc(C2CCN(c3oc(C(C)(C)C)nc3C#N)CC2)n1 80344623 JZKJMAKWVMQATD-UHFFFAOYSA-N 407.474 4.286 30 40 HIEB CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1Br 108169917 JNKUWPLEBWGGMZ-JMIUGGIZSA-N 411.683 4.490 30 40 HIEB COc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1 408800614 NZBPICFBIYXHER-MYYYXRDXSA-N 404.466 4.150 30 40 HIEB N#Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 408918132 GMZBWJUCAUJRSS-YCIYHOANSA-N 410.860 4.305 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC)cc1 409315447 VNLKGTNUKZMKPX-UHFFFAOYSA-N 414.303 4.392 30 40 HIEB Cc1cc(C)n(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(=O)c1C#N 409412254 CHIGXIIDYGSFRC-HNNXBMFYSA-N 422.554 4.060 30 40 HIEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1 1272689 GKSBJQOHMBDJBB-VULFUBBASA-N 422.448 4.007 30 40 HIEB CCc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N 1355193 LQNBJVZFLAEIJK-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1Cc1cccnc1 1438382 XHXNEOBLLLIYPC-NRFANRHFSA-N 418.424 4.008 30 40 HIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1 3345701 RAFJVIHJELUNMV-UHFFFAOYSA-N 413.477 4.079 30 40 HIEB N/C(=N\OC(=O)c1ccccc1Cl)c1cccc(Cn2cnc(Cl)c2Cl)c1 4285946 RWIBMUAQBVRYBN-UHFFFAOYSA-N 423.687 4.369 30 40 HIEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@@H](C)COC 4889418 GWABGCGQESQLSW-ROUUACIJSA-N 412.534 4.222 30 40 HIEB CCCOC(=O)c1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238202 IEHWBWREHAFJQI-UHFFFAOYSA-N 405.479 4.168 30 40 HIEB CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6812725 YKRMQSWLSLLORJ-NRFANRHFSA-N 402.450 4.124 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ccc3ccccc3n2)n(C[C@H]2CCCO2)c1C 9417610 GXYJIKNPFLPRTO-GOSISDBHSA-N 420.538 4.435 30 40 HIEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1cccc(Cl)c1Cl 9452534 LAUSOLPUGSBNSW-GZIVZEMBSA-N 403.294 4.149 30 40 HIEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)ccc1OCc1ccccc1 12347087 GKNZVXCORQLCSD-FQEVSTJZSA-N 417.465 4.267 30 40 HIEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 18163143 JEUQWKMUBZMGTB-QHCPKHFHSA-N 416.477 4.330 30 40 HIEB CCCCOc1ccc(C(=O)/C=C/Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 44843067 DYNYWIJCNQCKCH-OUKQBFOZSA-N 411.454 4.247 30 40 HIEB C#CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl 409055028 XJXNMTBACLMCCZ-RGEXLXHISA-N 413.882 4.467 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)S2)cc1 409187132 MNTNWTFMVUVONV-MOSHPQCFSA-N 424.522 4.471 30 40 HIEB CCOc1ccc(Br)cc1/C=N\OCC(=O)Nc1ccc(Cl)cc1 409370484 RPWCPDXNFWDUKA-JMIUGGIZSA-N 411.683 4.490 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 815801 HUNZAGODPWZEQB-HJPURHCSSA-N 407.466 4.131 30 40 HIEB C=CCn1c(SCC(=O)NCCC2=CCCCC2)nc2sc(C)c(C)c2c1=O 3470430 VPBPOOPKEKIXIG-UHFFFAOYSA-N 417.600 4.360 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(OC)c1 5478165 JVYQBOFDIBJFCI-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5776451 MYJRAZSUWNIBJX-OCCSQVGLSA-N 404.605 4.310 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(F)(F)F)c1 5977627 BEPDSQPFUPQHNQ-UHFFFAOYSA-N 404.388 4.426 30 40 HIEB CCN/C(=N\c1ccccc1OC)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 6707990 CMMZVUGQOLOMBW-QGZVFWFLSA-N 417.918 4.011 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310310 YXZRPDDVWPCUEC-IBGZPJMESA-N 411.889 4.149 30 40 HIEB N#Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 8875113 SWTCDASRLVAPNZ-WQRHYEAKSA-N 417.808 4.138 30 40 HIEB CCn1cc(/C=C2/Oc3cc(OC(=O)N(C)C)ccc3C2=O)c2cc(OC)ccc21 8990665 XJHZHOPBRDJPLO-UFFVCSGVSA-N 406.438 4.346 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9217427 DGXBUMZQWPHTHH-QHCPKHFHSA-N 417.538 4.352 30 40 HIEB CCOc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1 13137491 BFEFOSGIRZKSMZ-UHFFFAOYSA-N 417.560 4.115 30 40 HIEB CN(CC1=CC(=O)n2c(nc3ccccc32)[C@@H]1C#N)Cc1ccccc1Br 29696195 RNSXOUDUOQGBAQ-MRXNPFEDSA-N 421.298 4.118 30 40 HIEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)Nc1ccccc1Cl)OCO3 35310793 RMTTUEUOPVMEGN-UHFFFAOYSA-N 423.860 4.112 30 40 HIEB CSc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 38654341 LGZLKIMEHOSSOI-UHFFFAOYSA-N 416.550 4.361 30 40 HIEB CN(C(=O)CN(CCC#N)Cc1ccccn1)[C@H](c1ccccc1)c1ccc(F)cc1 72308643 YWXNLEQUHBXPSE-RUZDIDTESA-N 416.500 4.184 30 40 HIEB COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1Cl 78549520 BFEPHCLHNZKPJP-MRXNPFEDSA-N 408.889 4.398 30 40 HIEB N#CC1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218234879 VRJNPZILLQFPQT-JKSUJKDBSA-N 421.703 4.076 30 40 HIEB O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1ccncc1 409306452 ZYZKRTOKMATVAS-UHFFFAOYSA-N 411.303 4.484 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 664678 ROWGLWHBMQRYEE-XSFVSMFZSA-N 404.466 4.081 30 40 HIEB N#Cc1c(NC(=O)CSc2nnc3sc4ccccc4n23)sc2c1CCC2 2458434 NYMNMNORUIPGIN-UHFFFAOYSA-N 411.537 4.097 30 40 HIEB C=CCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(=O)CC)c1ccccc1-2 2463704 ZSPNRRADTKYJMX-FQEVSTJZSA-N 405.483 4.046 30 40 HIEB Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)c(C(F)(F)F)c4)CC3=O)[nH]c2c1 5182860 DSOUWKXKYXHNEY-UHFFFAOYSA-N 406.795 4.260 30 40 HIEB CN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O 6625647 XUAIIIZOKXJETC-UHFFFAOYSA-N 402.288 4.198 30 40 HIEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=S)Nc1ccccc1F 8690505 XVMDUCPLYPUKEG-BUVRLJJBSA-N 422.533 4.241 30 40 HIEB Cc1ccc2cc(S(=O)(=O)ON3C(=O)c4cccc5cccc(c45)C3=O)ccc2c1 12290772 RXVXBAYXHVDLLC-UHFFFAOYSA-N 417.442 4.218 30 40 HIEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 18057395 JEUQWKMUBZMGTB-HSZRJFAPSA-N 416.477 4.330 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1ccccc1 19787897 BSJLNPXOISADCK-FOFRYPASSA-N 404.510 4.006 30 40 HIEB COc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3c(c2C#N)CC(C)(C)OC3)cc1 20590665 AIPLUZYSZXIDGI-KRWDZBQOSA-N 408.502 4.148 30 40 HIEB COc1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1 35673063 QWGLOLNXRQYVMW-OAQYLSRUSA-N 403.486 4.256 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 72391222 OIAKUFGOAZWXEY-PPNCUWOSSA-N 416.565 4.463 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 102703556 MRAQSJXHTNDFBU-JBCNATCCSA-N 418.449 4.316 30 40 HIEB COc1ccc(OC)c(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c1 408875955 MQXKPXYFAXCQAO-MFOYZWKCSA-N 404.875 4.257 30 40 HIEB O=C(COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1)Nc1ccccc1 408931852 RBDPAYBMQKAQKO-NLRVBDNBSA-N 415.493 4.291 30 40 HIEB N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3cccc4[nH]ccc34)cn2)cn1 585294091 NOFCAYWVRRHXSN-HSZRJFAPSA-N 409.497 4.695 30 40 HIEB Cc1ccc(O)c(/N=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 3113309 QOWNCAIDUNSOJO-WSDLNYQXSA-N 421.365 4.487 30 40 HIEB Cc1sc2ncnc(N3CCC(C(=O)OCc4ccc(C#N)cc4)CC3)c2c1C 3368226 BSTKUDUUSXPGRO-UHFFFAOYSA-N 406.511 4.140 30 40 HIEB Cn1c2ccc(Br)cc2c2nnc(N/N=C\c3c[nH]c4ccccc34)nc21 8926182 UPQPTWORTBJHMT-YVNNLAQVSA-N 420.274 4.206 30 40 HIEB Cc1ccc(S(=O)(=O)c2nc(/C=N/Nc3ccccc3)oc2N2CCCCC2)cc1 9909317 HRZIQFVJTIYUCT-XQNSMLJCSA-N 424.526 4.252 30 40 HIEB C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 13653816 UUVNITKCSVJHDM-YOFPLDQWSA-N 407.466 4.215 30 40 HIEB COc1ccc(NC2=NN(c3ccccc3)C(=O)/C2=N\c2ccc(N(C)C)cc2)cc1 16186419 RDIPYFUWENDQHL-LVWGJNHUSA-N 413.481 4.306 30 40 HIEB COc1cc(C(=O)/C(=C/c2cccn2C)c2nc3ccccc3[nH]2)cc(OC)c1OC 32739798 IMCBLMKDKOMCLU-VKAVYKQESA-N 417.465 4.351 30 40 HIEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NCCN(C)C)o3)cccc2c1=O 36360840 YZCDCZZQRWHZTA-UHFFFAOYSA-N 414.465 4.269 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 102520873 NPKMDOCTOCCWQD-MRJHHRETSA-N 402.425 4.151 30 40 HIEB N#Cc1ccccc1CN1CCC(c2nnc3ccc(-c4ccccc4F)nn23)CC1 306123799 AXCBRRMALNMUHF-UHFFFAOYSA-N 412.472 4.182 30 40 HIEB CC/N=C1\S/C(=C\c2cc(Cl)c(OC)c(Br)c2)C(=O)N1CC 408842556 ATHSFBBAKAOCKW-RMRISONRSA-N 403.729 4.423 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409098515 ISXUJPFRJAQWHV-CXUHLZMHSA-N 417.248 4.111 30 40 HIEB Cc1ccc(-n2cccc2C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409283936 QREVUHYGTYQFGB-UHFFFAOYSA-N 421.298 4.449 30 40 HIEB O=C1C(Cl)=C(N2CCC(c3cc(-c4ccco4)[nH]n3)CC2)C(=O)c2ccccc21 4002399 BSIUCKFEDSFSIM-UHFFFAOYSA-N 407.857 4.379 30 40 HIEB O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1)c1ccccc1 4312743 OUUPSQVMZIDSRY-HXUWFJFHSA-N 400.390 4.378 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 4905323 DHKZXLVMOHSTAD-LJQANCHMSA-N 415.511 4.150 30 40 HIEB COc1ccc(Nc2oc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc2C#N)cc1 7275723 UNVMPDZOEFDBLL-BJMVGYQFSA-N 407.426 4.495 30 40 HIEB COc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 9420402 VVARJZSBNYRYLM-BKUYFWCQSA-N 408.431 4.079 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)n1nc(-c3cccc(Cl)c3)nc1N2 9731743 NSXSUHFHFHKDQD-HXUWFJFHSA-N 420.856 4.349 30 40 HIEB C=CCc1cc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc(OC)c1OCC 12221249 QFUVREHGYRWCFN-UHFFFAOYSA-N 406.530 4.473 30 40 HIEB O=C(C[N+]1=C2SC=C(c3ccccc3)N2CC1)c1ccc(Br)cc1 13687982 GZPUQFPVFSDDMB-UHFFFAOYSA-N 400.321 4.061 30 40 HIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)c1 57999363 HSKCYUWMNBVJQN-RSTPCFTMSA-N 411.527 4.292 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C(C)(C)C)cc1 102717355 NHTBIRQEMLCNDI-YDJIHCHBSA-N 411.498 4.344 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC2)CC1 257215694 CRGFMRLHQAKYJQ-UHFFFAOYSA-N 408.567 4.279 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 702720 SCVYCUGZQKPNPE-HXUWFJFHSA-N 406.438 4.026 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 841927 PVJHULUZPDMYNO-HNNXBMFYSA-N 409.404 4.196 30 40 HIEB CCOC(=O)c1c(SCC#N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 1644222 OEKUOZQJYQDZHW-UHFFFAOYSA-N 423.519 4.150 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 1815654 MAXDARDKZCEYFF-FDWYHIAWSA-N 411.504 4.279 30 40 HIEB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl 4680900 DORWPSXQVJJCFH-LTUQMTLXSA-N 405.882 4.378 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccc(Cl)cc1 6479698 GBOVWSLVUZHKQC-UHFFFAOYSA-N 405.936 4.280 30 40 HIEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 7759235 NTAKFVGVNKSEFZ-UHFFFAOYSA-N 403.891 4.075 30 40 HIEB C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cc(F)cc(F)c1 9011959 GOWUHNYZJLEMQE-BIBXISHDSA-N 408.408 4.472 30 40 HIEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc(C)cc2)cc1OC 12857556 DNIKPXZSHVKMSY-JOCHJYFZSA-N 424.541 4.459 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccncc1 19830828 BKMFVQKUGFSMRM-MBSDFSHPSA-N 418.493 4.015 30 40 HIEB COc1ccc(NC(=O)c2sc3nc(N)c(C#N)c(-c4cccs4)c3c2N)cc1 19889327 UYZYJZDZZGNWBP-UHFFFAOYSA-N 421.507 4.322 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 49006710 HBRWXGULIBVIFT-UHFFFAOYSA-N 409.902 4.345 30 40 HIEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 102497526 GSCQXKALHAYPIB-HOGKFDNTSA-N 406.526 4.183 30 40 HIEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 220005588 ULYCAGQYAHJAHQ-UHFFFAOYSA-N 414.527 4.068 30 40 HIEB Cc1ccc(CCCN2CCC(c3csc(Nc4ccc(C#N)nc4)n3)CC2)o1 585294517 HNDLKMYOIUWBAM-UHFFFAOYSA-N 407.543 4.867 30 40 HIEB COc1ccc2nc(Cl)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1 1214229 LKPAPEFBLLXZPB-ZMOGYAJESA-N 406.873 4.445 30 40 HIEB C#CCOc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 8452133 XGPIZQVSSYMGOI-RGVLZGJSSA-N 418.793 4.013 30 40 HIEB CN(C)S(=O)(=O)c1cccc(N/C(S)=N/c2cc(Cl)cc(Cl)c2)c1 8579865 JQPPJFOJSXXGMQ-UHFFFAOYSA-N 404.344 4.273 30 40 HIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 12904628 JSUCHVYLNOQCFH-UHFFFAOYSA-N 411.506 4.171 30 40 HIEB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O/N=C2\CCCCCN2)cc1 14074970 ZTXSWAFBRAJQSL-UHFFFAOYSA-N 404.470 4.182 30 40 HIEB O=C1Nc2ccccc2/C1=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 18123267 BIDQZRRUVVDBEZ-UHFFFAOYSA-N 422.452 4.127 30 40 HIEB C=CCn1c(C)cc(C(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1C 32893423 AHWWSBCVFWNIIK-UHFFFAOYSA-N 410.543 4.027 30 40 HIEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085699 OLZAMVPHFRCQHW-UHFFFAOYSA-N 400.529 4.240 30 40 HIEB C=CCc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 72295981 PHAGNOJQWJZIJO-NRFANRHFSA-N 414.483 4.228 30 40 HIEB COc1cc(/C=C2/CCOc3ccc(Br)cc3C2=O)cc(OC)c1O 96942143 ZSAAAEUJXLVSTN-GHXNOFRVSA-N 405.244 4.221 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)c(OC)c1 100331837 OVYZTXLUOHRVAB-MOBKVPTQSA-N 415.445 4.330 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(CC)CC)o1 409292586 HJSDHMYUTQWCDK-UHFFFAOYSA-N 417.307 4.043 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 3470685 RHLJZYQQWQKFPY-AWEZNQCLSA-N 413.568 4.230 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 3640218 VBSGCXRSQWGMPT-INIZCTEOSA-N 411.310 4.373 30 40 HIEB COc1ccc([C@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC 4952145 UKYUDHVJWJPQCG-ISJGIBHGSA-N 423.509 4.103 30 40 HIEB COc1ccc(/N=C(\NC2CCCC2)SCc2nc3ccsc3c(=O)[nH]2)cc1 6621636 CIVDGJIBJPJRRL-UHFFFAOYSA-N 414.556 4.446 30 40 HIEB N#Cc1ccc(CN(Cc2ccc(C#N)cc2)S(=O)(=O)c2cc(F)ccc2F)cc1 8708188 HTTDNVTZIPCSDC-UHFFFAOYSA-N 423.444 4.099 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccc(Cl)cc2c1=O 8922434 INVLWWDNPRGBRX-ZDUSSCGKSA-N 424.913 4.227 30 40 HIEB O=C(OCC#CCSc1nc2ccccc2s1)c1cc2ccccc2oc1=O 9614771 MZUOMRDTHPRPQY-UHFFFAOYSA-N 407.472 4.355 30 40 HIEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OCC 12344929 HNZMKGODLJMWRK-WPUZRXDDSA-N 409.501 4.251 30 40 HIEB COc1ccc(-c2oc(NC(=O)COC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1 12651070 NXBQNXZEBGEVID-UHFFFAOYSA-N 420.421 4.004 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc(OC)c1OC 35647613 YNZGSWUBDPQABV-LZYBPNLTSA-N 422.865 4.397 30 40 HIEB C=CCOc1cccc(NC(=S)NCc2nc(-c3ccc(OCC)cc3)no2)c1 225832005 CYNFSAAUSAJQLW-UHFFFAOYSA-N 410.499 4.187 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 408531233 MMELRSBCNVTAIT-UYRXBGFRSA-N 408.479 4.235 30 40 HIEB C#CCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1 2363808 PCMMQUICIUBJSY-UHFFFAOYSA-N 424.460 4.160 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 2620038 YOWKBAKKLACVMZ-QFIPXVFZSA-N 411.575 4.462 30 40 HIEB COc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 2659193 IXPABNTYTZXIRF-DHZHZOJOSA-N 408.508 4.363 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 3190559 KSCZUVNEYGVYBC-NFJKTXFASA-N 413.860 4.090 30 40 HIEB biogenic C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 3608145 DCLFCHGVNGRXGG-UHFFFAOYSA-N 410.470 4.459 30 40 HIEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1Cl 3640212 LDGXOBJNOFGEBQ-INIZCTEOSA-N 411.310 4.373 30 40 HIEB CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 5524455 MQJYHVVZGORUOI-UHFFFAOYSA-N 416.864 4.497 30 40 HIEB aggregator COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 5988413 SUVUKSVMLGSVJN-NRFANRHFSA-N 409.482 4.007 30 40 HIEB N#CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 7061441 CFVXVTSHLGQUML-UHFFFAOYSA-N 411.417 4.356 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 8739720 MEBWJBZRJYEVPS-IBGZPJMESA-N 424.840 4.428 30 40 HIEB N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 9892603 SWTCDASRLVAPNZ-WOJGMQOQSA-N 417.808 4.138 30 40 HIEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nc1C 12795261 LGXGHXSDKOOPJS-GFCCVEGCSA-N 418.316 4.346 30 40 HIEB N#C[C@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1 32682206 NCPLCZKQXIXGTD-SFHVURJKSA-N 411.870 4.026 30 40 HIEB CCOc1cc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O 102500432 AMHFDDXUDLNIEZ-JBCNATCCSA-N 419.433 4.006 30 40 HIEB O=[N+]([O-])c1cc([N+](=O)[O-])c(C=NNc2ccccc2)cc1C=NNc1ccccc1 245239973 NOVQSYNGBUBTNR-UHFFFAOYSA-N 404.386 4.395 30 40 HIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)S1 408859725 PWXVHNPAHNNOTH-PXNMLYILSA-N 419.846 4.157 30 40 HIEB Cc1cc(C)nc(N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)n1 409012583 KOBNHKGGCJHNSM-CFRMEGHHSA-N 403.486 4.174 30 40 HIEB C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409050382 VEQLCCBHPLQGPW-UDWIEESQSA-N 416.458 4.057 30 40 HIEB N#Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 6760754 BCMKDWHKBXMDHP-ZBFHGGJFSA-N 401.348 4.260 30 40 HIEB CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 6783496 DGVNAEFBPBECDD-NRFANRHFSA-N 418.449 4.242 30 40 HIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3CN3CCCCC3)C1=O)cn2C 20649237 LFPBFMIGOXINTN-FSJBWODESA-N 418.493 4.495 30 40 HIEB CCOc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)ccc1OCC(=O)N(C)C 33434496 PPJRWSNYIRFXSI-UYRXBGFRSA-N 407.510 4.382 30 40 HIEB C=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 46058768 OZAFZZQTAAHDRI-UHFFFAOYSA-N 420.943 4.296 30 40 HIEB CCCCCCCCOC(=O)C[C@H](C(=O)OCCCCCCCC)S(=O)(=O)O 59237144 OXLXSOPFNVKUMU-GOSISDBHSA-N 422.584 4.440 30 40 HIEB CC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 89292161 OVNFLRNMCHIYGD-TZMCWYRMSA-N 413.829 4.270 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC 408938437 QOWYXPLCQKKCOZ-LDADJPATSA-N 422.868 4.193 30 40 HIEB CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 4538178 GCGXEURJFYTODY-NRFANRHFSA-N 418.449 4.242 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC 4699885 DEZFYJVJFJTLBL-MAVBTGMRSA-N 411.527 4.292 30 40 HIEB Cc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)n1Cc1ccco1 5671542 GWJMSIFFJHUEMI-QZEKMECESA-N 417.465 4.202 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 8715679 VPWVSDNNPXMRHO-KPZWWZAWSA-N 420.292 4.261 30 40 HIEB N#CCSc1ccccc1NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 9666676 RRSIFRIZUVRRPH-UHFFFAOYSA-N 420.490 4.262 30 40 HIEB OCCSCC/C(=N/N=C(\CCSCCO)c1ccccc1)c1ccccc1 17210820 ZLNPVJFWPXYFSD-MMUCEYJRSA-N 416.612 4.111 30 40 HIEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1-2 100752547 QJBMSGZADXGWPX-WJDWOHSUSA-N 419.393 4.384 30 40 HIEB Cn1ncc(-c2cc3nc(C(F)(F)F)cc(C(F)(F)F)n3n2)c1C(F)(F)F 100918022 GAMNBVQEGXTYSV-UHFFFAOYSA-N 403.208 4.186 30 40 HIEB COc1cc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)ccc1OC(F)F 102793706 XENGJPOOYAHDRU-CZTLANONSA-N 410.461 4.074 30 40 HIEB CCc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@H](c4ccsc4)CC3=O)NC2=O)cc1 1548338241 PDYLGFLEPONLPP-IRXDYDNUSA-N 408.523 4.176 30 40 HIEB Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2cccc(C)c2)cc1 2625931 NSBHFKNBJQLDQC-UHFFFAOYSA-N 405.527 4.015 30 40 HIEB C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1 4754317 MNNQWFUTBVZXNE-WGOQTCKBSA-N 413.957 4.342 30 40 HIEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 9243343 XSFLCXHKGRARPM-DJJJIMSYSA-N 418.474 4.249 30 40 HIEB N#Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 11300521 MPWVVQLPLXBBEY-UHFFFAOYSA-N 411.255 4.276 30 40 HIEB CCN(CC)c1ccc(/N=C2/C(C)=Nn3c2nnc3-c2ccccc2[N+](=O)[O-])cc1 16678496 PUVSMIVGUDNIEW-QOCHGBHMSA-N 403.446 4.058 30 40 HIEB CC1(C)CCC[C@@](C)(C#CCN2CCN(CC#C[C@@]3(C)CCCC(C)(C)O3)CC2)O1 22806782 JMHBJXANORTDCX-WMPKNSHKSA-N 414.634 4.086 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC 27571027 BMVRUXXOBHMJIC-OAQYLSRUSA-N 417.461 4.001 30 40 HIEB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C#N 1017062 DTRCJMKHZKQJBD-JTQLQIEISA-N 424.092 4.489 30 40 HIEB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc(C#N)cc3)nc12 4359810 WNFSASJRWIQTAS-UHFFFAOYSA-N 408.527 4.084 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)c(OC)c1 4919074 JJOXAJBQAZGCHL-AUSIDOKSSA-N 410.466 4.032 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(Cl)cc2)cc1 9331615 XVXKRKVTOPHLQJ-YCRPNKLZSA-N 406.873 4.356 30 40 HIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccccc1C(=O)O 12275635 QRKHXSZEZKGJDS-HKOYGPOVSA-N 419.466 4.007 30 40 HIEB CCN(c1ccccc1)S(=O)(=O)c1nnc(/N=C(\O)c2cccc(Cl)c2)s1 20486638 CHDJJZOOWCELRV-UHFFFAOYSA-N 422.919 4.043 30 40 HIEB COc1cccc(/C=N/c2cc([N+](=O)[O-])ccc2O)c1OCc1ccc(C(=O)O)cc1 409187852 VBVVUABLWXWTKR-FSJBWODESA-N 422.393 4.337 30 40 HIEB CC1(C)C=C(CN2CCOCC2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)cc1 575473187 LTHCCZFCUTWERY-YYADALCUSA-N 421.928 4.315 30 40 HIEB Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)n1-c1ccccc1 2636700 XYIJDSOCGHJMIL-UHFFFAOYSA-N 401.466 4.198 30 40 HIEB COc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OC(=O)c1cccs1 3271166 MEOOFFCBIQSGLA-FYJGNVAPSA-N 417.556 4.107 30 40 HIEB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2sccc2C#N)cc1C 3529788 QIWMPFBCRKJALI-UHFFFAOYSA-N 418.474 4.263 30 40 HIEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8758988 UBUPLUKAFZBDCR-UHFFFAOYSA-N 415.272 4.102 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)n1nc(C(F)(F)F)nc1N2 13816159 FJVULXVBRSXSRX-APPDUMDISA-N 416.359 4.011 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2cc1OC 35288599 VOZJXOFBCQDNDN-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)cc1OC 36359070 GYANAOYSZRMUTR-GOSISDBHSA-N 403.438 4.025 30 40 HIEB COc1ccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)nc(O)c2C#N)cc1 40130037 JXMOFHYPJJJSEU-UHFFFAOYSA-N 416.359 4.240 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@H]12 59415309 XQXNTSRSLXYYTI-DHWOPMESSA-N 408.586 4.431 30 40 HIEB biogenic CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102517523 QKINOYXVMQXBHZ-MOBKVPTQSA-N 414.461 4.102 30 40 HIEB COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc([N+](=O)[O-])c1O 408905423 ADWFXBBHJFDSDM-OUYOUGTCSA-N 413.455 4.321 30 40 HIEB N#CCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 409410782 PVYNFLVTKZKGBZ-HSZRJFAPSA-N 417.490 4.372 30 40 HIEB CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O 8218993 YNDYKPRNFWPPFU-SFHVURJKSA-N 410.488 4.481 30 40 HIEB biogenic,in-vitro C=CCn1c(C)cc(C(=O)CSc2nnc(COc3ccc(F)cc3)o2)c1C 11195270 MCUKJGDEKUDSFD-UHFFFAOYSA-N 401.463 4.367 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C)cc1 12654711 HUBCXNUAJSSXPE-UHFFFAOYSA-N 403.891 4.075 30 40 HIEB COc1ccc(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(OC)c1OC 12768048 GSMOVBXAYZISAM-UHFFFAOYSA-N 401.462 4.293 30 40 HIEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 13557482 OHXLTROFLKHRQF-LJQANCHMSA-N 420.690 4.096 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)n[nH]c1=S 24760030 BHAGGPHKNWVTLL-UHFFFAOYSA-N 423.470 4.028 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102573355 DPTPWRPUJXZMNS-SELCWUDQSA-N 414.845 4.470 30 40 HIEB CCCc1nc(S/C(=C\c2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)O)n[nH]1 408632438 PZXIHAYGAGIEDI-UNOMPAQXSA-N 420.494 4.426 30 40 HIEB CCOc1ccc(/N=C/c2cc(I)c(OC)c(OC)c2)cc1 409201713 NQRQKWVIHXGROI-YBFXNURJSA-N 411.239 4.458 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(Cc4ccccc4)nc13)O2 5345871 SLEWNRMQFKCZPP-OAQYLSRUSA-N 408.461 4.247 30 40 HIEB C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4)c1ccccc1 5350162 FLEVRTVDBRWFSJ-DHRITJCHSA-N 407.499 4.131 30 40 HIEB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C#N 7299153 PMVVMDWDKGRIDA-NSHDSACASA-N 413.503 4.472 30 40 HIEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9257594 LGHWGMADWUDXDH-UHFFFAOYSA-N 420.523 4.425 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)cc(Cl)c1OC 13357491 RSJCALPASZZYFA-FNORWQNLSA-N 420.845 4.115 30 40 HIEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3C(F)(F)F)c3n2CCC3)cc1 13759155 GMDWLBFQKFYGFN-UHFFFAOYSA-O 400.424 4.355 30 40 HIEB CN1/C(=C\C(=O)CSc2nnc3[nH]c4ccccc4n23)C(C)(C)c2ccccc21 18189820 WAJFIEVTWYJGMU-UNOMPAQXSA-N 403.511 4.183 30 40 HIEB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(C#N)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19594062 LARRWORXNXYWLY-UHFFFAOYSA-N 410.514 4.476 30 40 HIEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 20761496 RHQYSBDESCCWPN-ZVHZXABRSA-N 421.453 4.315 30 40 HIEB COc1ccccc1C(=O)N1CCCN(c2nc3c(C)c(C)ccc3cc2C#N)CC1 35310895 BCRUCNZJBCVREC-UHFFFAOYSA-N 414.509 4.084 30 40 HIEB CCN(CC)CCOc1cc(CNc2oc(C(C)(C)C)nc2C#N)ccc1OC 41157342 XPHSLXPEOKYPFK-UHFFFAOYSA-N 400.523 4.185 30 40 HIEB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 55899001 FANILFBMILXPFY-UHFFFAOYSA-N 404.470 4.303 30 40 HIEB CC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 89292165 OVNFLRNMCHIYGD-GXTWGEPZSA-N 413.829 4.270 30 40 HIEB CCCCCCCCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 97949448 TUIKKHVPRCVFLY-QHCPKHFHSA-N 406.587 4.342 30 40 HIEB CCCCCCCC1CCC(C(=O)N[C@H](C(=O)NCC(=O)OCC)[C@H](C)CC)CC1 97995704 JCJDRNGOGNQUKC-LCLFBYRMSA-N 424.626 4.364 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408877817 XDBJFPWEEWCHLQ-HKWRFOASSA-N 414.486 4.236 30 40 HIEB COc1ccc(C(=O)c2oc3cc(N/C=C4\C(=O)C=C(C)OC4=O)ccc3c2C)cc1 1547200783 FPHNXGWOYARVQN-XDHOZWIPSA-N 417.417 4.306 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(C(C)=O)cc1 996760 HNVPSYMUOGESIZ-MAVBTGMRSA-N 407.495 4.036 30 40 HIEB CCCOc1ccccc1[C@H]1C(C(=O)OCCOCC)=C(C)NC2=C1C(=O)CCC2 4066332 KQCQTNYUQPNTHX-QFIPXVFZSA-N 413.514 4.023 30 40 HIEB COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C 4681112 UREUWHZXGYJBAP-DVCONVQISA-N 417.918 4.247 30 40 HIEB O=C1/C(=N\Nc2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 8398127 ZSOTXDDLBFIYGW-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc(Br)c1O 16441044 BWKHXAGMISERHA-DHDCSXOGSA-N 419.300 4.363 30 40 HIEB C=CCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1OC 32841422 NTDDZTWGORXHOC-UHFFFAOYSA-N 404.304 4.467 30 40 HIEB C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2sc(C)c(C)c2c1=O 48324434 BFIPSTUPERMRDL-CQSZACIVSA-N 424.555 4.090 30 40 HIEB Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@H]3C2=O)c1 59484500 SATGKXVTWNANML-AYIBLLACSA-N 407.469 4.053 30 40 HIEB CC(C)(C)OC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F 96511623 JVMRQBMSCQGNET-CJLVFECKSA-N 412.870 4.020 30 40 HIEB CCCC/N=C1/S[C@H](C(=O)Nc2cccc(OCC)c2)CC(=O)N1CCCC 101515824 LMDWLXQXNHCMMB-VEGAHXMMSA-N 405.564 4.314 30 40 HIEB CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 714568 AZJDFQILOIEHRP-HXUWFJFHSA-N 408.523 4.401 30 40 HIEB CC1(C)c2ccccc2N(CC(=O)NCC#N)[C@]12C=Cc1c(ccc3ccccc13)O2 2267691 IDIIAPARYSXYDA-SANMLTNESA-N 409.489 4.379 30 40 HIEB CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 4518247 WZPJGKIVCVJNGI-UHFFFAOYSA-N 410.886 4.147 30 40 HIEB COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 5529621 FOMNLBOVNPCYDI-OQLLNIDSSA-N 406.385 4.384 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl 5716783 JCFAYTRGAQNRCS-CQSZACIVSA-N 410.297 4.484 30 40 HIEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5967399 NDYSEYNLANNSGM-MFOYZWKCSA-N 403.228 4.007 30 40 HIEB C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccnc1 7781210 QVDHSUKWCDLPLZ-MRXNPFEDSA-N 416.506 4.175 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O 8282385 JQRLUYHMPWFKRF-JKSUJKDBSA-N 405.523 4.041 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccccc1 9128518 LZAAACDPBIGICI-OAHLLOKOSA-N 424.526 4.226 30 40 HIEB Cc1cc(=O)[nH]c(N/N=C(\N=N\c2ccc(Br)cc2)c2ccccc2)n1 11419592 DIQXORMVVWOQNJ-IJDGQVCGSA-N 411.263 4.398 30 40 HIEB C=CCN(C(=O)Cc1cccs1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 13102642 NBJDCZIVKTUUHZ-UHFFFAOYSA-N 418.565 4.037 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 13424085 DKTNAOADLXJMQX-DVCONVQISA-N 417.918 4.329 30 40 HIEB CCOC(=O)c1ccc(/N=C2\S/C(=C/c3cc4c(cc3C)OCO4)C(=O)N2C)cc1 16247946 BYUKZEBTNXCZTL-AUEHGNIOSA-N 424.478 4.134 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)n1nc(SCc3ccccc3F)nc1N2 17177809 OMWYHXMFDUKTES-FQEVSTJZSA-N 422.485 4.437 30 40 HIEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc(OCC(=O)O)c2)cc1 28352181 QXEXDXKAAURLOF-UUYOSTAYSA-N 410.499 4.251 30 40 HIEB COc1cc(/C=N/c2cccc(C(=O)O)c2)ccc1OCc1cccc(C(=O)O)c1 59678827 IGCKUDCBRUYUGK-ZMOGYAJESA-N 405.406 4.421 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1C[C@H]31 226662883 WWRXLKKVHLBDIO-ORHGQAFYSA-N 421.500 4.077 30 40 HIEB C#CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408572456 RFJGVXBENIJTNR-FQEVSTJZSA-N 408.483 4.006 30 40 HIEB Cc1ccc(Cl)cc1N1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1 4054279 ZQELYDJHXKMLRA-UHFFFAOYSA-N 401.293 4.300 30 40 HIEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 4409801 ZBOCKIWFSUKMGC-FYJGNVAPSA-N 406.354 4.168 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)c2C#N)C1 8273982 IOGQTJARGFOXOF-SNVBAGLBSA-N 415.569 4.322 30 40 HIEB C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10354338 MQLGFKFGEUQHGY-KRWDZBQOSA-N 421.284 4.455 30 40 HIEB C=CCN(Cc1cccs1)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 14202365 DSFNOHFADLSWRJ-UHFFFAOYSA-N 410.568 4.110 30 40 HIEB C=CCc1cc(/C=N/c2ccc(Br)cc2)cc(OC)c1OCC(=O)O 59248080 PLJPOTHRMQFXEE-SRZZPIQSSA-N 404.260 4.400 30 40 HIEB O=C1C=C/C(=N\S(=O)(=O)c2ccccc2)C=C1Sc1nc2ccccc2s1 102629341 MPWNERAJIJOYII-FYJGNVAPSA-N 412.517 4.241 30 40 HIEB CCOC[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242437474 CBVJHZWEWQVOQD-PWRODBHTSA-N 403.931 4.389 30 40 HIEB CCOC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252517047 ZCYJWCYGXRGRLL-IPMKNSEASA-N 410.322 4.480 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409180730 UUCSOJQUZVFNTE-UHFFFAOYSA-N 408.797 4.080 30 40 HIEB COc1ccccc1N/N=C1\C(=O)N(c2nc(-c3ccc(C)cc3)cs2)N=C1C 5942530 GYEBWIHWFGIGJC-CLCOLTQESA-N 405.483 4.318 30 40 HIEB CC[C@H](O/N=C/c1ccc(OCc2ccccc2)c(OC)c1)C(=O)Nc1cc(C)on1 16337944 FEZRQOAXYWRIAN-OEBVFIGYSA-N 423.469 4.338 30 40 HIEB COc1cc(/C=C/C(=O)c2ccccc2-n2cccn2)cc(OC)c1OC(F)F 40146072 ZFQZOORFSWFKEK-CMDGGOBGSA-N 400.381 4.387 30 40 HIEB COCC[C@@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 97095268 JDSBJGYTIYDWDC-FQEVSTJZSA-N 408.546 4.043 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(Cl)cc1 102521558 VMDQPSJCZRBIFJ-SELCWUDQSA-N 418.946 4.165 30 40 HIEB CCOC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218498826 AXGRQVBVMOVQIA-QYZOEREBSA-N 410.322 4.480 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC 409276620 UHPCKWKIHRUFOI-UHFFFAOYSA-N 420.694 4.266 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 2264463 WGVZRPTVIIYXJU-UHFFFAOYSA-N 415.316 4.264 30 40 HIEB CSCCc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1C 4632339 BRNBWBQTMTYYEG-UHFFFAOYSA-N 406.602 4.166 30 40 HIEB CCOP(=O)(OCC)/C(C#N)=N\OC(=O)C(c1ccccc1)c1ccccc1 13757295 VCIHBDOMIFHHEJ-PYCFMQQDSA-N 400.371 4.465 30 40 HIEB COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)cc1 32501365 AEKBQTLEZGUAHM-JJFYIABZSA-N 414.461 4.367 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1 39994030 SXJADAYFDZZVBF-UHFFFAOYSA-N 403.482 4.116 30 40 HIEB Cc1ccc(C(=O)N2CCS/C2=N\c2cccc(Cl)c2C)cc1S(C)(=O)=O 40140585 VQVPKDXRIBMXTH-VZCXRCSSSA-N 422.959 4.237 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5OC)CC4)[C@H]3C[C@@H]12 61991172 XPFOUNMBEZRCMG-WGFBCYIXSA-N 424.585 4.131 30 40 HIEB biogenic CCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O 100933431 ACTCCLFXGJCHSZ-UHFFFAOYSA-N 420.587 4.075 30 40 HIEB Cc1ccc(NC(=O)/C(Cc2cc(=O)oc3cc(O)ccc23)=N/NC(C)(C)C)cc1C 104297685 JALQXZMZIVLIJV-LHLOQNFPSA-N 421.497 4.041 30 40 HIEB CCOc1cc(/C=N\O)cc(I)c1OCc1ccccc1C 216826076 NIIJDCOSVHMGRR-GRSHGNNSSA-N 411.239 4.385 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1 2370707 KKPGANILSLDBNG-UHFFFAOYSA-N 418.906 4.425 30 40 HIEB CC1=NN(c2ncc(-c3ccccc3O)s2)C(=O)/C1=N\Nc1cc(C)ccc1C 4550807 YMNAJCNGMXBZED-CLCOLTQESA-N 405.483 4.323 30 40 HIEB O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Sc1nnc[nH]1 6888780 GULVFLZJFYJFKD-CAOOACKPSA-N 404.249 4.377 30 40 HIEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 9605512 BOYPAWWMMRWJJJ-UHFFFAOYSA-N 422.529 4.281 30 40 HIEB COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2c(Cl)cccc2Cl)S1 16695954 PQRSHJYJOXJVSL-PPAWOMOGSA-N 408.310 4.166 30 40 HIEB COc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1OC 19682308 MWMAVHOXJNWEST-OVVQPSECSA-N 413.521 4.425 30 40 HIEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)c1C 25715702 MOLHOTYUJBEFMC-UHFFFAOYSA-N 404.499 4.247 30 40 HIEB COc1cc(/C=N\N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 30819173 JOUYRPQDDQPXSH-DIBXZPPDSA-N 415.537 4.426 30 40 HIEB C=CCOc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 58151540 TYZQBUAERUAJAC-UHFFFAOYSA-N 415.921 4.405 30 40 HIEB Cc1n[nH]c(=S)n(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O 96601928 QESSLWMNABZIFK-LSHDLFTRSA-N 409.902 4.148 30 40 HIEB CCCCCCCC1CCC(C(=O)N[C@@H](C(=O)NCC(=O)OCC)[C@H](C)CC)CC1 97995705 JCJDRNGOGNQUKC-FYYGKBSSSA-N 424.626 4.364 30 40 HIEB O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1nccs1 253567222 JWJAQQYZSMGDPV-OAQYLSRUSA-N 420.494 4.355 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 409402883 GMMDJLBPIXQZJQ-IDPBPBMLSA-N 406.869 4.060 30 40 HIEB CCc1ccc(NC(=O)C[C@H]2CC3=C(C[C@H](c4ccccc4C)CC3=O)NC2=O)cc1 1548338384 WNYBPGMGQKZYQK-RBUKOAKNSA-N 416.521 4.423 30 40 HIEB COc1ccc([C@@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 1736983 LHHIEQABTRNXFN-PKOBYXMFSA-N 420.527 4.453 30 40 HIEB COc1ccc(/C=C/C(=O)C(C(=O)NCc2ccccc2)=C2SCCS2)cc1 6940012 SMMFPOBTVHJWDU-FMIVXFBMSA-N 411.548 4.286 30 40 HIEB C=CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)Nc2cc(C)on2)=C1C 10354308 JNJXYDARRMPPCZ-KRWDZBQOSA-N 420.391 4.167 30 40 HIEB CCc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(C)C)cc1 32734081 SOSOASUYXXUETR-OAQYLSRUSA-N 408.571 4.148 30 40 HIEB C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)c2cc(C(F)(F)F)ccc2S1 79019976 ILRMLOJMIMXRCJ-AWEZNQCLSA-N 410.465 4.052 30 40 HIEB COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3ccccc3n(CC(C)C)c1=O)C2 85879634 SFVRIELCDQYRLM-WOJGMQOQSA-N 403.478 4.497 30 40 HIEB biogenic C=CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1OC 137281021 VQUWGDQQCUALQB-KZEIVDJJSA-N 401.513 4.092 30 40 HIEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408741682 NDPKDMYFPYGGTB-YDZHTSKRSA-N 417.381 4.400 30 40 HIEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC 408851455 ZODNJSPFMIMCNK-XSFVSMFZSA-N 404.466 4.097 30 40 HIEB COC(=O)c1ccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 409392437 MOVQYSUTFLAOMI-FSJBWODESA-N 418.409 4.423 30 40 HIEB N#Cc1ccc(-c2ccncc2)nc1SCC(=O)Nc1nc2ccccc2s1 756952 DXOZDEFGHRKYFH-UHFFFAOYSA-N 403.492 4.356 30 40 HIEB Cc1nc(OCC(=O)c2ccc(Br)cc2)c(C#N)c2c1COC(C)(C)C2 3140315 SDQZGIFXFIBFJY-UHFFFAOYSA-N 415.287 4.137 30 40 HIEB COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 4159530 HCKGXUZYMIVJGZ-LKKXKRCMSA-N 408.310 4.166 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1C 8996745 NUGPSHVLWPLARJ-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB C=C(C)CSc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 13009952 ZCTMTKCFWUDTNG-UHFFFAOYSA-N 422.626 4.447 30 40 HIEB CCCCC(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1 13756314 ALUXRUJZOMZCPW-UHFFFAOYSA-N 402.542 4.338 30 40 HIEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2CC)cc1OC 14000865 BUBMAMIPBIFLDW-GOSISDBHSA-N 403.482 4.482 30 40 HIEB COc1c(C(=O)/C(=N/Nc2cccc(Cl)c2)C(C)=O)c(O)c(OC)c2occc12 16958746 PRSJHWCESHTWJE-HZHRSRAPSA-N 416.817 4.049 30 40 HIEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)CC2)nc1 40117542 CHIWTDGUMJZGRO-HSZRJFAPSA-N 406.505 4.356 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1 97105064 IMRLHTULDNGDLI-OFNKIYASSA-N 410.466 4.032 30 40 HIEB COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C 101650540 NZBNXAOVRYUNBG-OLRQPGBRSA-N 417.918 4.247 30 40 HIEB Cc1cc(N=C2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)S2)cc(C)c1Br 408766328 UJADJRVZSSMAIW-GHXNOFRVSA-N 422.260 4.459 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 409003326 ZMUPAHDUAXTKIA-JCMHNJIXSA-N 419.477 4.133 30 40 HIEB C#CCOc1c(I)cc(/C=N/c2ccccc2C)cc1OC 409211493 NWITZBNBEWOWDS-UDWIEESQSA-N 405.235 4.371 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 409231712 LPCMRERYSAVIEX-XDHOZWIPSA-N 424.884 4.152 30 40 HIEB CCCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=Nc1ccccc1 409386982 XXONANCTCMMXGT-QUXILYDTSA-N 418.522 4.141 30 40 HIEB CCOC(=O)c1sc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(C#N)c1C 2616871 PPWBNFPEOGLPOK-UHFFFAOYSA-N 408.483 4.160 30 40 HIEB CCCn1c(SCC(=O)N[C@](C)(C#N)C2CC2)nc2ccc(C(F)(F)F)cc21 11021902 VIROEZJDSWWLLF-GOSISDBHSA-N 410.465 4.366 30 40 HIEB C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(Br)cc1 12912753 YZACFHBBKUHOQP-CYBMUJFWSA-N 402.321 4.429 30 40 HIEB Cc1cccc(C)c1/N=C1\SCCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1 97601699 GVTAVIWOSQZQLJ-VHXPQNKSSA-N 421.522 4.224 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 102927189 JRRJXPMTOONDJW-NHFXJNLRSA-N 418.405 4.118 30 40 HIEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Nc2ccccc2)cc1 408741350 PIAFNHVEYNOKEH-FBTHGLLTSA-N 414.490 4.197 30 40 HIEB C=CCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2291016 ZFWNFCNCLQHQBD-UHFFFAOYSA-N 412.280 4.379 30 40 HIEB O=C(O)c1ccc(N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)cc1 3226368 JKGHEBZJPBMGTF-QJQTWEGFSA-N 403.482 4.246 30 40 HIEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 4699833 BSMNRKJALJWQMA-DVCONVQISA-N 417.918 4.247 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC 4699883 DEZFYJVJFJTLBL-COPMAWBXSA-N 411.527 4.292 30 40 HIEB C/C(=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12)c1ccc(Br)s1 4713021 NLGUOTWVWGXMSL-UKWGHVSLSA-N 401.293 4.475 30 40 HIEB COc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1Br 5995949 RWMDVFHQDRFIJN-DJKKODMXSA-N 407.268 4.026 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)cc1OC 12111612 RBCBNKLCDGOCHL-JOCHJYFZSA-N 417.461 4.406 30 40 HIEB CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 13423882 GDRMXBDHICLWAY-BAOKRACBSA-N 418.316 4.039 30 40 HIEB COc1cccc2c(Nc3ccc(F)c(C#N)c3)cc(C(=O)N3CCSCC3)nc12 49003070 BXIDARLNYLMWEY-UHFFFAOYSA-N 422.485 4.187 30 40 HIEB C#CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 96002013 OQQSYWDOWFMKDW-QGOAFFKASA-N 414.433 4.407 30 40 HIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(Cl)cc3)S2)c1 100248523 BHZVWXQMJFMEJZ-LRWZUSMTSA-N 417.918 4.329 30 40 HIEB CCCCCCCCNS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 408722002 NYZANBHACTZZMS-UHFFFAOYSA-N 414.527 4.126 30 40 HIEB COc1ccc(C)cc1/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408883642 VHFHVVNHTAPAAZ-DHRITJCHSA-N 419.481 4.219 30 40 HIEB O=C(NN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1)c1ccccc1O 5584494 XZNMRZYHJNUBSL-MIIQOVFOSA-N 415.474 4.341 30 40 HIEB N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 7789791 YYBHUTDNZHUMGD-UHFFFAOYSA-N 414.494 4.364 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c(OC)c1 13653585 CGJFEVFJSCQNMC-QZDMBBGESA-N 409.482 4.400 30 40 HIEB biogenic COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O 17160779 MSTCQTKEHYPMBB-OAQYLSRUSA-N 419.433 4.081 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(OC(F)(F)F)cc1)n1ncnc1N2 18200768 RTODCIKGLYGBPH-XIKOKIGWSA-N 416.359 4.185 30 40 HIEB O=C1/C(=N\Nc2ccc(Cl)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 100532588 MEEXSNODCYUPOE-GFMRDNFCSA-N 419.828 4.467 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)no1 102804051 GYPKJIZLCZEMQS-UYTDBDHRSA-N 400.843 4.324 30 40 HIEB C=CCN(c1ccc(C(=O)N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 224375732 MRIBKICJSVJVSM-UHFFFAOYSA-N 406.507 4.345 30 40 HIEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408805411 JWVZQCILVPBPHS-PKAZHMFMSA-N 402.494 4.492 30 40 HIEB O=C(ON=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1643755 ITXOZHOBMMSJGQ-UHFFFAOYSA-N 415.361 4.482 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 8715658 MXMYZLUFUVDVGX-FQEVSTJZSA-N 421.884 4.193 30 40 HIEB CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2oc3ccccc3c2C)cc1 9457552 WPMAPZNIOKRIOU-UHFFFAOYSA-N 406.438 4.244 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ncnc3sccc23)n(Cc2ccco2)c1C 9639534 YAJREXQUDUPKIA-UHFFFAOYSA-N 423.523 4.353 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(OC)c1 12408374 QPDGIQPCCPVTLK-UHFFFAOYSA-N 424.522 4.385 30 40 HIEB C[C@@H]1CCc2c(sc3ncnc(N4CCCN(Cc5ccc(C#N)cc5)CC4)c23)C1 12569391 KIFFDDFGRFQDTO-QGZVFWFLSA-N 417.582 4.400 30 40 HIEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 22085945 UIMDZKLVTNPKJR-UHFFFAOYSA-N 416.437 4.228 30 40 HIEB CN1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1 33027209 RRVDZXBHHDYIEV-UHFFFAOYSA-N 414.465 4.290 30 40 HIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)Nc4ccccc4F)CC3)nc2c1 35314095 KWNMIMSHOLHQOE-UHFFFAOYSA-N 403.461 4.298 30 40 HIEB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/O)(c5ccccc54)[C@@H]3C2=O)c(C)c1 408729802 DEGSORCMBXZBAL-XEFLPOSASA-N 422.484 4.314 30 40 HIEB O=[N+]([O-])c1ccc(Cn2cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)cc1 408910142 JHGFWIWTQMLNEK-KSEXSDGBSA-N 416.397 4.347 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)S2)cc1 409008650 ZHTIQPBALAFYAW-UYRXBGFRSA-N 424.482 4.095 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3nc(Cl)ccc3Cl)c2C#N)C1 3266270 YVEKNUSFZAXEDB-VIFPVBQESA-N 424.309 4.242 30 40 HIEB CCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)c1 4664403 MDGXKQZIWWKYPL-XGHAMVSDSA-N 410.495 4.496 30 40 HIEB CCc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)c(C#N)cc2c1 4848935 MCXIRERQNHAIBB-UHFFFAOYSA-N 405.479 4.186 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310311 YXZRPDDVWPCUEC-LJQANCHMSA-N 411.889 4.149 30 40 HIEB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 14802985 JSEUYADXZOJYLX-UHFFFAOYSA-N 423.856 4.290 30 40 HIEB C=CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCC 15008748 ZUZVIDYCSXTAQL-PDGQHHTCSA-N 412.898 4.074 30 40 HIEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 16975381 ZZLHKMSOYUTJOZ-UHFFFAOYSA-N 412.307 4.043 30 40 HIEB C=CCn1cc(CN2CCC(c3nnsc3-c3onc(C)c3CC)CC2)c(C)n1 19521800 FMZRVBRHTHFUFH-UHFFFAOYSA-N 412.563 4.134 30 40 HIEB COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1Br 19882215 MMCOZBXNFSOLDI-LPYMAVHISA-N 422.754 4.263 30 40 HIEB CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 57999369 ZECVLFSFNCSXGV-OLRQPGBRSA-N 417.918 4.329 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@H]12 61992808 DYNOLVYTIQFOGO-FYEJASGKSA-N 412.549 4.262 30 40 HIEB biogenic N#Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98212657 ADQACTPJZRWSHY-UHFFFAOYSA-N 405.889 4.001 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1cccs1 102645764 DAGRGPBEWAERFV-NLWPQFNZSA-N 403.887 4.002 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 102884082 LOZRLJCTKHUOPM-MOBKVPTQSA-N 423.509 4.180 30 40 HIEB COc1ccccc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409281882 FJACWSUYBMMFQH-UHFFFAOYSA-N 400.276 4.173 30 40 HIEB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C#N)c(C#N)nc12 4727520 NUGUWRRJZDEYDF-RNODOKPDSA-N 411.387 4.032 30 40 HIEB CCc1ccc(S(=O)(=O)/N=C2\S/C(=C\c3ccccc3F)C(=O)N2CC)cc1 13843764 RPVBXGGZIBQJIK-GTFONSFASA-N 418.515 4.069 30 40 HIEB CC[C@H](NC(=O)Cn1c(C)c(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 64987009 SQIHZFATVQIVDJ-FQEVSTJZSA-N 403.482 4.250 30 40 HIEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102885917 BAXJKAFIVDVBIH-JBCNATCCSA-N 418.449 4.316 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1 104198486 IUZANUCAQDKMIP-HOGKFDNTSA-N 415.493 4.012 30 40 HIEB Cc1c(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(O)n2c(nc3ccccc32)c1C#N 3026251 QJKONVOHNUZQJS-YSURURNPSA-N 404.813 4.475 30 40 HIEB Cc1ccc(N[P@]2(=O)c3c(C)nn(CCC#N)c3N=C(c3ccccc3)N2C)cc1 3199097 XVVNYWKTYHCZTN-SSEXGKCCSA-N 418.441 4.368 30 40 HIEB C=CCn1c(SCC(=O)NC(C)C)nc2scc(-c3ccc(C)cc3)c2c1=O 3457357 AIKBEYKMJNWOHJ-UHFFFAOYSA-N 413.568 4.236 30 40 HIEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(-c4ccccc4)nn32)ccc1O 4106345 CNJRSLQAOVWEBM-NRFANRHFSA-N 402.454 4.071 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](C)CC2=O)N1 4802985 OZCOCGDLJJYMQA-RCDICMHDSA-N 405.473 4.382 30 40 HIEB CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccoc1C 5364685 KFTAMVZAHASMNM-UHFFFAOYSA-N 413.528 4.019 30 40 HIEB O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 5410151 ONNIODYAAGZTQN-AXMNZLFYSA-N 407.470 4.496 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)c1 5883684 MAAGFYBKIVHAHJ-HXUWFJFHSA-N 404.422 4.083 30 40 HIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6294649 XECGWIOWCYSDCF-HXUWFJFHSA-N 406.413 4.467 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1OC 7141314 UDJHYVORQRDRKH-RIYZIHGNSA-N 417.527 4.021 30 40 HIEB COc1ccc2c(c1)c(CC(=O)O[C@H](C)C#N)c(C)n2C(=O)c1ccc(Cl)cc1 7655036 LXYOIJMCCOEKMP-CYBMUJFWSA-N 410.857 4.298 30 40 HIEB N#Cc1ccc(C(=O)N2CCC(c3nc(C4CC4)ncc3-c3ccncc3)CC2)cc1 13996973 UMYQNIHFESBJKX-UHFFFAOYSA-N 409.493 4.307 30 40 HIEB CC(=O)c1cc(C#N)c(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1 14120721 KPRTVUSYCNQEMI-UHFFFAOYSA-N 419.481 4.370 30 40 HIEB O=[N+]([O-])c1ccccc1/C=N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 53388347 FPDFRETVBQEJKH-IPWYCNHZSA-N 416.481 4.463 30 40 HIEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 60014594 LXTCFVSXRBBPJU-UHFFFAOYSA-N 414.527 4.068 30 40 HIEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1 101650462 UEPGNUWXIWKGTL-CULCSUMMSA-N 405.882 4.378 30 40 HIEB CCCCN1C(=O)C[C@@H](C(=O)NCC)S/C1=N\c1cc(Cl)cc(Cl)c1 2728091 ZPGLJOHFRZVVSN-NNLSSIJJSA-N 402.347 4.251 30 40 HIEB COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 9305975 ILRBTZHZGZQIEQ-XNTDXEJSSA-N 417.284 4.127 30 40 HIEB O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)C3CC3)[C@@H]2c2ccc3ccccc3c2)c1 13275986 VRVCILYMDDKZBE-NRFANRHFSA-N 413.429 4.417 30 40 HIEB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791514 HVBCNQIFFHNFRL-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Cl)c(Br)[nH]1 40118681 DZLSZMSMEMRGFO-UHFFFAOYSA-N 400.663 4.478 30 40 HIEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1nc2ccccc2s1 100628258 KECJWABRTKSFQX-AZCDHQAESA-N 414.487 4.026 30 40 HIEB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771237 RGXIOIIOMFFNIY-UHFFFAOYSA-N 423.469 4.332 30 40 HIEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)o2)cc1Cl 226661942 VKBXHIYTVCVTQV-KJXQOVMWSA-N 406.869 4.295 30 40 HIEB COc1ccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1 408574821 DROCVYYRWNGCPB-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 408775676 RECDCIPREICTSA-CPNJWEJPSA-N 419.868 4.456 30 40 HIEB COCCCN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409041864 VYWDGXWYIBFLGX-UHFFFAOYSA-N 410.470 4.045 30 40 HIEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\NCCc2c[nH]c3ccccc23)C1=O 101031572 NVPXLMDKHTZXFG-NBVRZTHBSA-N 414.461 4.188 30 40 HIEB Cc1ccc(C)c(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 2441038 XTAZAYUJTFQPEA-NRFANRHFSA-N 420.538 4.276 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(Cl)cc1 102648709 DBXWDZBVCBCMOW-DPGTYXLWSA-N 415.848 4.080 30 40 HIEB Cc1ccc(OCc2ccc(C#N)cc2)c(C(=O)c2cc(C#N)c(=O)n(C3CC3)c2)c1 3324462 VKXADNPRVJJZHT-UHFFFAOYSA-N 409.445 4.045 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C 8987248 ZRULOLVUMIRUAB-GOSISDBHSA-N 424.453 4.388 30 40 HIEB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl 9042057 POGGKCNJQGHJHG-CYBMUJFWSA-N 424.913 4.390 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(F)c2)C2=C(C[C@H](C)CC2=O)N1 26456744 TXEVVKRLZAVFHZ-XMHCIUCPSA-N 405.473 4.382 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2ccccc2Cl)c1 409404011 JOYNJTXHOBUJAS-SNHGZMDHSA-N 406.869 4.060 30 40 HIEB Cc1cc(C#N)ccc1NC1CCC(OC(=O)C2CCN(CC(F)(F)F)CC2)CC1 95444277 UYNTURLEDJIGRB-UHFFFAOYSA-N 423.479 4.407 30 40 HIEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)O 409272298 GADQUQXMZKPVSU-ZVBGSRNCSA-N 417.874 4.382 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 169690756 WIFCKXHMDYGNCN-OOMJHRBKSA-N 420.896 4.450 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@@H](c3ccc(OC)cc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 4182727 MSTZTORQVACHGQ-UBFVSLLYSA-N 423.509 4.103 30 40 HIEB CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1Cl 100418399 JROXTAZDTVBLCH-SNVBAGLBSA-N 414.811 4.077 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccccc1OC 6076857 VINVBSDIBZPIAE-MRXNPFEDSA-N 414.575 4.317 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1CSc1ncnc2sc(C)c(C)c12 6113273 QXIDZQZCCDUQIY-UHFFFAOYSA-N 404.542 4.293 30 40 HIEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C(C(=O)OC(C)C)=C(C)N2 7990941 MCJUGCKKDRJNBX-QGZVFWFLSA-N 411.527 4.139 30 40 HIEB CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3Br)[C@@]12C#N 103021011 PNKOJZWIWPTZQO-VNQPRFMTSA-N 421.389 4.097 30 40 HIEB C=CCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC 408530732 KFMYTKBJVFSMTG-UHFFFAOYSA-N 419.271 4.452 30 40 HIEB Cc1cccc(Cn2c(C)c(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c3ccccc32)c1 409409784 XBAJPSQYNVUOQY-OTLGMJNYSA-N 423.516 4.447 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3OC(F)F)c2C#N)C1 3366886 YQLRLYPCOFPTTO-NSHDSACASA-N 420.437 4.141 30 40 HIEB Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cc(C)ccc3C)[nH]c(=O)c2C#N)cc1 5238326 GIZQQLYKEVERBU-MRXNPFEDSA-N 418.522 4.353 30 40 HIEB Cc1ccccc1Cn1nc(C)c(/N=C2\SCC(=O)N2CCCOC(C)C)c1C 17090107 DNRJQQGJSJWALX-FCQUAONHSA-N 414.575 4.235 30 40 HIEB C=C(Br)CNC(=O)c1ccc(-c2cccc(Br)c2)nc1C 58368987 NASCPVZYOURTJG-UHFFFAOYSA-N 410.109 4.458 30 40 HIEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(Br)cc1 408560901 QZDKBOBEBGZTLH-UHFFFAOYSA-N 409.353 4.300 30 40 HIEB CSc1ncc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)cn1 585294762 JQDITWYGSWXAIE-MRXNPFEDSA-N 409.544 4.002 30 40 HIEB N#CCCN(C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 2665100 OYTYGXJWRJTRNX-UHFFFAOYSA-N 412.445 4.021 30 40 HIEB CN1/C(=C/C(=O)COC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc21 3308632 ACEGAIMFIGLHTG-XDHOZWIPSA-N 414.299 4.487 30 40 HIEB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 5007740 ZTYOMLVECDSCCA-LICLKQGHSA-N 410.451 4.196 30 40 HIEB N#Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2c1CCC2 9714744 WIIVBFIMXLXRII-UHFFFAOYSA-N 423.519 4.162 30 40 HIEB COc1cc([C@@H]2C3=C(C[C@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 13682479 XHIVTOGNOCFBAD-NYHFZMIOSA-N 418.449 4.361 30 40 HIEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 33921510 XFPKIJZIWCKVGK-HKWRFOASSA-N 419.458 4.107 30 40 HIEB COc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1OC 79352352 PJZUIKGVEKVCRE-NRFANRHFSA-N 402.450 4.277 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)cc1C 409086170 GCVNQHXLJMPVEN-STZFKDTASA-N 407.539 4.340 30 40 HIEB N#CC1(C#N)[C@H](c2cccnc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21 866590 FWYZPEJXKRUYAS-SMIHKQSGSA-N 402.457 4.366 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OC)cc1 4919744 UDDBGFGIXKNNJO-AUSIDOKSSA-N 410.466 4.032 30 40 HIEB Cc1ccc(C(=O)C[n+]2ccc(-c3cc[n+](CC(=O)c4ccc(C)cc4)cc3)cc2)cc1 26441642 SOEWPACMMNCUJF-UHFFFAOYSA-N 422.528 4.311 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 100237018 BGFMZHZMLGPJJN-JNVMQLBYSA-N 420.896 4.450 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1 102879249 KJFCJVYYWDGMHK-WOOAAIBNSA-N 420.490 4.395 30 40 HIEB C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 209642324 CTCARTZOUMJUPD-LCYFTJDESA-N 414.346 4.244 30 40 HIEB C#CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408567129 GOLBFKUPMKSAIC-NRFANRHFSA-N 422.510 4.315 30 40 HIEB Cc1c(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(-c2ccccc2)n1C 872920 NGYMQEBAEISFPJ-OEAKJJBVSA-N 402.410 4.403 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nnc1-c1ccccc1 4285336 KWEXAJOZFJEEFC-UHFFFAOYSA-N 408.531 4.174 30 40 HIEB N#CC1(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)CCCC1 4891405 QVTCSIFRQBBLEY-UHFFFAOYSA-N 403.511 4.418 30 40 HIEB N#CC1(NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCCC1 5627412 SVRCITWOYXLMIW-UHFFFAOYSA-N 406.360 4.075 30 40 HIEB C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1cccc(C#N)c1 9119019 FOZSFJCJOPAWPT-MRXNPFEDSA-N 422.444 4.352 30 40 HIEB CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=N/Nc1cccc(C)c1C 9434616 PAUPBTAOCBBAFQ-LYBHJNIJSA-N 405.483 4.323 30 40 HIEB COc1ccc(-n2c(S[C@@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)cc1 12857684 LAMPGSVUNWXPIX-NSHDSACASA-N 415.565 4.498 30 40 HIEB Cc1cc(/C=C/C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C)n1Cc1ccco1 13987628 PGKNDAAJJRQTOA-YXBWYFRISA-N 423.513 4.034 30 40 HIEB CCc1nc(C)c2c(C)c(C(=O)N3CCCN(c4ccccc4C#N)CC3)sc2n1 47138748 VYIATNFRXXMZBM-UHFFFAOYSA-N 419.554 4.095 30 40 HIEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 102369064 OABYCPRRADKUEJ-HOGKFDNTSA-N 414.461 4.495 30 40 HIEB C=CCOc1c(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cccc1OC 408529807 JKQXGNCBKKZUHI-ATVHPVEESA-N 400.525 4.216 30 40 HIEB CCCCc1ncc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)[nH]1 585295319 UUEALKWFEBNWKI-NRFANRHFSA-N 401.518 4.495 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1 2620550 MOKBEKBNTGYTJO-UHFFFAOYSA-N 422.506 4.329 30 40 HIEB CCCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(OC)c2)S1 2670986 KBSOEXZZTLVCTA-VRMLFSPKSA-N 411.527 4.038 30 40 HIEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 4065905 OUYCYGGJNZULCH-NRFANRHFSA-N 411.498 4.124 30 40 HIEB N#Cc1c(NC(=O)CSc2ncc(-c3ccccc3)nn2)sc2c1CCCC2 4488029 QBWMTYWYHRFKSY-UHFFFAOYSA-N 407.524 4.081 30 40 HIEB O=C(/C=C/c1ccccc1Br)c1cc(Br)ccc(=O)c1O 4667469 LEAQETLBYZMXHP-FNORWQNLSA-N 410.061 4.174 30 40 HIEB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 6035787 AVBFBDXGLGFBDR-GFCCVEGCSA-N 411.512 4.281 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 8740790 UWYUDRQIIBYNID-OAQYLSRUSA-N 416.433 4.331 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC 8991614 ZWMXQRMLABGXJR-OPAMFIHVSA-N 417.465 4.353 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(O)cc1 18195558 JNGQERISJVTOGW-IBGZPJMESA-N 401.466 4.072 30 40 HIEB COc1ccc(/C=N/Nc2nc(=O)cc(-c3ccc(Br)cc3)s2)cc1 28527066 PVUNRTRZZRQZSF-RGVLZGJSSA-N 416.300 4.387 30 40 HIEB N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 48020957 LELJAQOVMIFENL-HXUWFJFHSA-N 408.523 4.316 30 40 HIEB O[C@H]1OCCC[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 68568588 YEMOXYUOUXISBX-WHFBIAKZSA-N 420.165 4.470 30 40 HIEB biogenic O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1C1CCCCC1 100973184 XQBJPMYFJQUWLX-NHKNDPDJSA-N 420.581 4.442 30 40 HIEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102601448 IZFSJLXTEVOPPY-WOOAAIBNSA-N 409.825 4.261 30 40 HIEB O/N=C\c1ccc(OCc2ccc(F)cc2Cl)c(I)c1 216810621 PDXSKZPDCWJACX-WSVATBPTSA-N 405.594 4.471 30 40 HIEB COc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)c(OC)c1 408753814 QNPGJSZRAHUEPV-FRKPEAEDSA-N 419.846 4.157 30 40 HIEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O 409171443 BKPIMLDXDVOJEL-LZYBPNLTSA-N 415.268 4.263 30 40 HIEB COc1ccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 409294366 AHAIQBUWOXJOBX-UHFFFAOYSA-N 414.303 4.347 30 40 HIEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc(OC(C)C)cc1 409404993 FPXFSUQKPWDZDN-HTUUBCJYSA-N 417.509 4.022 30 40 HIEB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(C#N)cc1 653919 LJSQGUKVETYLAX-JOCHJYFZSA-N 401.422 4.102 30 40 HIEB Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1Cl 2235949 ZPFSKYJGZBSNSR-JJXNMMKVSA-N 405.882 4.378 30 40 HIEB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1=C(CC(C)(C)CC1=O)N2 4436376 NBGJIPGSABEXGL-KRWDZBQOSA-N 414.531 4.065 30 40 HIEB COc1cccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 6647374 LJKGFJQFKILKOH-UHFFFAOYSA-N 411.914 4.184 30 40 HIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1nc(-c2ccc(F)cc2)cs1 16955749 XBEKCRFJDZYVTB-UHFFFAOYSA-O 419.505 4.290 30 40 HIEB aggregator CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccn3)nn1[C@@H]2c1cccnc1 18199790 VOYRSNKORNKJEZ-LJQANCHMSA-N 418.526 4.019 30 40 HIEB CCOc1cc2c3c(c1)/C(=N\Nc1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C 18266314 FPFMPNWZVPLHJS-LGUFXXKBSA-N 401.470 4.320 30 40 HIEB O=C1/C(=C/Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccsc21 20575607 PKAWUDNMGIWOLO-PDGQHHTCSA-N 414.483 4.373 30 40 HIEB C=CCN(C(=O)c1ccc(OCC(=O)NCC)cc1)c1nc(-c2ccccc2)cs1 24626774 BUGUUKSTASMHID-UHFFFAOYSA-N 421.522 4.158 30 40 HIEB Cc1c(OCC(=O)OC(C)C)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182732 BPGQKOGHBQOWTD-NHDPSOOVSA-N 405.450 4.433 30 40 HIEB COc1ccc([C@H]2C3=C(Sc4[nH]c(=O)sc42)C(=O)c2ccccc2C3=O)cc1 32597785 LEDNGVMKAKHNRV-AWEZNQCLSA-N 407.472 4.016 30 40 HIEB COc1ccc2nc(NCCCNC(=S)Nc3ccccc3C)c(C#N)cc2c1 35312335 YFWPRGBDMVOHSE-UHFFFAOYSA-N 405.527 4.212 30 40 HIEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc([N+](=O)[O-])c1F 100006039 IMYWBAXJZQCLBV-HAVVHWLPSA-N 424.417 4.048 30 40 HIEB CCOc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCc3ccccc3C2)cc1 102938330 XBVIFTOAJYKGOG-OCOZRVBESA-N 420.534 4.279 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC 106764112 UNPFQDUVFIJYHM-HKWRFOASSA-N 411.479 4.375 30 40 HIEB C=CCN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224968536 IKCOZLKSYMQXNY-UHFFFAOYSA-N 423.918 4.215 30 40 HIEB C#CCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408609028 NNCXBOXLPILMBT-UHFFFAOYSA-N 405.248 4.380 30 40 HIEB C=CCOc1cc(Br)c(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 408913439 UPCFBWWIZCQOJB-ODLFYWEKSA-N 406.236 4.377 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409316963 RZUBQAPZIASFCL-UHFFFAOYSA-N 400.276 4.089 30 40 HIEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8401979 ZKYCVSZWPJNFGM-UHFFFAOYSA-N 412.478 4.079 30 40 HIEB O=C(O)COc1ccccc1/C=C1/S/C(=N\c2cc(Cl)ccc2Cl)NC1=O 9323836 ONFUZDNUTGFHON-VIZOYTHASA-N 423.277 4.348 30 40 HIEB C=CCn1c(C)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 12363843 HDVNVOOZSGEFON-LGMDPLHJSA-N 419.481 4.106 30 40 HIEB CCCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1Br 20196706 AYIFAOWATZQXJI-CIAFOILYSA-N 407.308 4.379 30 40 HIEB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCC#Cc1cccc(C(F)(F)F)c1 24507665 RZCHPEWXKAJWDI-UHFFFAOYSA-N 423.818 4.231 30 40 HIEB O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 32575658 PAYHQIQIJQAJGL-QRVIBDJDSA-N 410.886 4.196 30 40 HIEB O=C(O)/C=C1/S/C(=N/C2CCCCC2)N(CCc2c[nH]c3cc(F)ccc23)C1=O 101379715 FYWJPFIOKCVGRJ-JTNUTMTLSA-N 415.490 4.082 30 40 HIEB N#CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1Br 108930698 CRJYVFRNSGMKBR-OSJICMBPSA-N 420.313 4.226 30 40 HIEB CCOC(=O)Cn1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 409218717 XSULJBAUKSGHMC-AUEHGNIOSA-N 413.543 4.294 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 7130872 RBGVQGZNNOUQAA-UVARLRKDSA-N 418.588 4.458 30 40 HIEB COc1cc(C#N)ccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9437866 JPBPKPSIRASHEZ-MRXNPFEDSA-N 423.519 4.447 30 40 HIEB COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 12813170 HOLWBLAATVOAHZ-XNTDXEJSSA-N 407.491 4.070 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)N=C1SCC(=O)c1ccc(OC)cc1 16739996 WKDPCEKRTPRIKJ-ZHZULCJRSA-N 422.506 4.045 30 40 HIEB COc1cc(/C=C/C(=O)OCc2ncc(-c3ccc(F)cc3)o2)ccc1OCC#N 26438062 ICYUBNGBXXTRIJ-YCRREMRBSA-N 408.385 4.148 30 40 HIEB Cc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 144800352 ZVLGSTCCUFXAAI-FSJBWODESA-N 401.919 4.454 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222571559 AEDBFTNRRUHWFO-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB C#CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1OC 409308815 YQNZUVQCYDWIKY-UHFFFAOYSA-N 415.493 4.347 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100341 DKWSHFQLNZIDTH-XMMPIXPASA-N 409.480 4.497 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O 2088212 JMXOYGFQQPQNEQ-QFIPXVFZSA-N 421.493 4.494 30 40 HIEB biogenic C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(F)c1 4736332 RGTVUXFYJRDTTI-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB Cn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 5856082 RZORQLPRQFUYNA-UHFFFAOYSA-N 419.554 4.428 30 40 HIEB CC(C)Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1F 6538054 NDRMNUSSIXFPAC-UHFFFAOYSA-N 409.490 4.343 30 40 HIEB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC1(C#N)CCCCC1 7763731 MQXIMPLMJYWFEC-CYBMUJFWSA-N 401.561 4.165 30 40 HIEB CCN(Cc1ccc(Br)s1)C(=O)COc1ccc(C#N)cc1Cl 7857539 WMIYVRJNTKEUHX-UHFFFAOYSA-N 413.724 4.463 30 40 HIEB C[C@H]1CCc2c(sc3ncnc(N4CCCN(Cc5ccc(C#N)cc5)CC4)c23)C1 12569392 KIFFDDFGRFQDTO-KRWDZBQOSA-N 417.582 4.400 30 40 HIEB CC(=O)c1ccc(N2CSc3nc(-c4ccc(Cl)cc4)c(C#N)c(=O)n3C2)cc1 13718869 FJCVFMDFUQODJP-UHFFFAOYSA-N 422.897 4.165 30 40 HIEB O=C(C[C@@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(Cl)c1Cl 21133149 YKSDEGNVWIGZMG-ZDUSSCGKSA-N 400.331 4.242 30 40 HIEB COc1ccccc1C(=O)N1CCCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1 35313847 NHSMCYWFQMJXDG-UHFFFAOYSA-N 414.509 4.084 30 40 HIEB CCN(C/C(O)=N/c1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12 82108715 YUSPMYSCZIGWHR-UHFFFAOYSA-N 422.481 4.291 30 40 HIEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 102437957 CDTKGGWEIDKPCL-GHNGSUTGSA-N 417.446 4.219 30 40 HIEB CCOc1ccc(/C=C2\SC(=N)[C@@H](c3nnc(CC)s3)C2=O)cc1OCC 137689745 MZMDRKHRUSMYAP-KZEIVDJJSA-N 403.529 4.316 30 40 HIEB CCn1c(N/N=C/c2cc(Br)c(OC)cc2OC)nc2ccccc21 408691994 AUQUYANCQJMMEM-RGVLZGJSSA-N 403.280 4.282 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 1531384766 MIIHNBOVSZRIBL-FSJBWODESA-N 420.812 4.213 30 40 HIEB C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 689071 BZTKWQNOXFVQLW-MOSHPQCFSA-N 403.301 4.305 30 40 HIEB COC(=O)c1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1 711808 BWQYQAHKUILPDE-QGMBQPNBSA-N 415.614 4.187 30 40 HIEB CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 4888194 SSURETABIDPLEY-MJHJUBQXSA-N 410.543 4.005 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 6813685 OSJQPTAIBQRBOX-KXBFYZLASA-N 415.848 4.236 30 40 HIEB COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c1 13653578 DAVAYDQMGPVISK-QZDMBBGESA-N 409.482 4.258 30 40 HIEB biogenic C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O 14201066 LDMXBXLPZCMUFU-SFHVURJKSA-N 413.930 4.158 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1ccc(C)cc1 19787524 XTGNITQMHGCMEC-OPAHAADXSA-N 418.537 4.315 30 40 HIEB C=CCn1c(SCCOc2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 32945573 FBIDIESVQAZVGW-IBGZPJMESA-N 413.474 4.287 30 40 HIEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(O)c(OC)c3)C(=O)N=C2S1 33354103 KIBYASJKHOFMMA-KFMVTFPESA-N 400.504 4.380 30 40 HIEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccc3Br)nc2c1 35291524 MWTUJIQIFVYCPS-UHFFFAOYSA-N 423.314 4.328 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CC2)CC1 72345296 JFTXMVMCURCLJC-UHFFFAOYSA-N 402.538 4.217 30 40 HIEB CSc1nc(/N=C/c2[nH]c(=O)n(-c3ccccc3)c2O)c(-c2ccccc2)s1 100856072 DPXHDACXCXCEKL-CIAFOILYSA-N 408.508 4.467 30 40 HIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3ccc(OCC)cc3)no2)cc1 225831985 HEPTWJWWDAWBMS-UHFFFAOYSA-N 410.499 4.187 30 40 HIEB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 409211837 KHCNVRQVGMOKBK-SGPNVBEDSA-N 410.451 4.196 30 40 HIEB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O 409228166 VBPKABVMIMBLNL-BKUYFWCQSA-N 423.538 4.040 30 40 HIEB O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)NC1(C(F)F)CC1 669710708 DJYPOHYHQRLHJQ-UHFFFAOYSA-N 422.272 4.488 30 40 HIEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 1035679 UCEUHGREAIOMDC-UHFFFAOYSA-N 410.930 4.466 30 40 HIEB CSC(=N/N=C(\C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)SC 5846499 XKGWMOQBYMNPBB-XMHGGMMESA-N 407.586 4.318 30 40 HIEB O=C(/C=C/c1cccnc1)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 7621528 DBYSPKGCDKGCOR-KPKJPENVSA-N 412.898 4.110 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 9166897 REVOZFXCNCCIML-UHFFFAOYSA-N 420.918 4.078 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)Cc3ccc(Cl)cc3)n2)n[nH]c1=S 12865094 CZPIURJPZARDTG-UHFFFAOYSA-N 405.936 4.009 30 40 HIEB O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 19818259 AXJIVBDTOCJGRI-PNHLSOANSA-N 414.484 4.073 30 40 HIEB CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)nc1C 23077834 JMOGYGAFWAEULZ-UHFFFAOYSA-N 423.416 4.188 30 40 HIEB Cc1oc(-c2cccs2)nc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32777911 IFAYMOQBWAIIFP-UHFFFAOYSA-N 421.482 4.153 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccccc1 33438235 QDJOSZULQGLSGP-OVCLIPMQSA-N 402.244 4.353 30 40 HIEB CCCOc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102701548 ZEFRKOZJBSGZTJ-LFVOPCPISA-N 424.478 4.460 30 40 HIEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccccc1C#N 408981959 WSYQSCFMFUBIRP-UHFFFAOYSA-N 410.477 4.541 30 40 HIEB C=CCN1C(=O)N/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 409127003 PVVKYVDELUCIQM-HYARGMPZSA-N 409.445 4.369 30 40 HIEB COc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c(C)c1 409307331 SKVIQLPYPZBZJA-UHFFFAOYSA-N 414.303 4.482 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(C#N)cc1 1531169815 XPYGEEYYIXOLDL-FMCGGJTJSA-N 409.287 4.210 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4O)nc13)O2 5347412 AFOZXNDYVYLZIQ-LJQANCHMSA-N 410.433 4.028 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 6160892 DBVRNPDXWGHQKV-NRFANRHFSA-N 402.425 4.308 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 19314965 XSHYUDFDGFSOLX-SFHVURJKSA-N 419.905 4.221 30 40 HIEB C=CCn1c(SCc2csc(NC(C)=O)n2)nc2scc(C3CC3)c2c1=O 24911195 TZZSWQCLZXSXRL-UHFFFAOYSA-N 418.569 4.229 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3C)nc2cc1OC 35288597 CHUFSRFYJLMZSQ-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB COc1ccc(C(=O)/C=C/Nc2ccccc2NS(=O)(=O)Cc2ccccc2)cc1 100548236 JISIDLRAKPDTKQ-FOCLMDBBSA-N 422.506 4.446 30 40 HIEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224931846 YLOQYUSDEQCYTO-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB COc1cccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1 408786664 LUHGSFLLXJKLIY-CIAFOILYSA-N 404.875 4.171 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 409128489 IJQLMQXTJQHKAR-OAQYLSRUSA-N 419.477 4.038 30 40 HIEB C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccc(C)c1 3400855 OWNOOBXHSGEFAB-UHFFFAOYSA-N 404.539 4.117 30 40 HIEB COC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 4516863 DUVZPHQUDADWHU-UHFFFAOYSA-N 414.421 4.249 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)nc2ccccc2c1=O 9996168 GYNMVFNVNSQKPV-AWEZNQCLSA-N 413.930 4.205 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 10218927 CETDESCQBBPOIU-ZDUSSCGKSA-N 420.531 4.076 30 40 HIEB C#CCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 13995401 XLYLKHNGWVRNHH-BTYIYWSLSA-N 421.497 4.495 30 40 HIEB CC(C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32828629 UIURYTHGPYCJOI-QGZVFWFLSA-N 400.891 4.142 30 40 HIEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 59427385 ZNTAUEONANIPBL-FSJBWODESA-N 407.430 4.020 30 40 HIEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 107935460 ATIKPNVQVVQMHZ-LSHDLFTRSA-N 412.342 4.399 30 40 HIEB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1 408837427 FEQFAWKVEWWBHL-BUVRLJJBSA-N 418.522 4.333 30 40 HIEB COc1ccnc(-n2cccc2/C=N/OCc2cccc(C(F)(F)F)c2)c1C#N 4024613 AHEHXSAEYQNDFH-RPPGKUMJSA-N 400.360 4.322 30 40 HIEB CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 4066108 FQCFUYOPAVKGGS-QFIPXVFZSA-N 411.542 4.433 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)cc1OC 4541148 VCYPCGJXLSDCMD-OAQYLSRUSA-N 419.433 4.075 30 40 HIEB COc1ccc(/C=C2\S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1OC 4903615 UGFRKFYXGPCAQN-SWZQWKNLSA-N 409.511 4.421 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 9244724 HAXBZYPDPNNMMR-INIZCTEOSA-N 417.446 4.293 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)c1 9423004 OCYLIXBQWANGFX-UUYOSTAYSA-N 400.434 4.059 30 40 HIEB COc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CCC1)[C@@H]3c1ccccc1 9429679 CSYFNZORJONEHW-FQEVSTJZSA-N 424.460 4.331 30 40 HIEB C=CCOc1c(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cccc1OC 12344883 YWVTWGRASIWZKA-UHFFFAOYSA-N 412.505 4.027 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1 21352193 CHIAUGAIRHIMMZ-UHFFFAOYSA-N 424.478 4.293 30 40 HIEB C=CCc1ccccc1OC[C@@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O 32854239 MKHLNBLXLODQQB-IBGZPJMESA-N 418.518 4.293 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cc2cccc(OC)c2o1 72191589 SKQPMZXOXAOYCG-UHFFFAOYSA-N 421.482 4.012 30 40 HIEB CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC(F)F 95409429 LUKWNEWSFGBIDP-UHFFFAOYSA-N 403.429 4.019 30 40 HIEB O=C1C(Nc2ccccc2)=C/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc21 103455832 MTJRSAYEZSHDLI-QQTULTPQSA-N 406.438 4.196 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cn(CC(=O)OC)c4ccccc34)S2)cc1 408763008 GUQPIOVQWVJSFK-NDENLUEZSA-N 419.506 4.268 30 40 HIEB CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1OC 409084612 VSYAYXDUEZFTPX-ZROIWOOFSA-N 402.244 4.201 30 40 HIEB COC1CCC(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 570647615 KCDJASBJCQUTGW-UHFFFAOYSA-N 403.954 4.140 30 40 HIEB COc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCO5)cc1 4090693 IPRPGYVIEJKXFL-LJQANCHMSA-N 401.462 4.427 30 40 HIEB biogenic CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@]12C#N 4328272 LAPWMKGSGLMNJI-SXLOBPIMSA-N 411.600 4.176 30 40 HIEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 4436370 BVDPEJPCKBSKAZ-SFHVURJKSA-N 414.531 4.065 30 40 HIEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 4664407 COTHVSZBIFBMQP-XGHAMVSDSA-N 410.495 4.496 30 40 HIEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5161829 XLVODEIZSYWTTH-JWHLFPLYSA-N 403.228 4.006 30 40 HIEB COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OC1CCCCC1 5234619 HMXHHFMTVBPLNK-UFFVCSGVSA-N 400.426 4.188 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022591 OXAKAGFHNOZQIE-QFIPXVFZSA-N 423.509 4.479 30 40 HIEB C=CCOc1ccc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 13683072 RJBKJWQOGJJOPG-UHFFFAOYSA-N 403.404 4.139 30 40 HIEB C[C@@H]1OP(=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@@H]1C 25559882 NUIIPODSFKKMFW-XUJMNUFGSA-N 423.638 4.105 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C/c1ccccc1F)C2=O)c1ccc2c(c1)OCO2 34706211 VECPAUIDOKCAGS-ZVBGSRNCSA-N 404.349 4.390 30 40 HIEB CCOc1cc(/C=N\Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1ccccc1 36118580 MPGVZRQJFBDTLE-IWIPYMOSSA-N 404.422 4.449 30 40 HIEB N#Cc1cccc(OCCN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)c1 71889702 JCLWJSLURRDNOV-OAQYLSRUSA-N 400.482 4.257 30 40 HIEB CC(C)(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741030 JJWBVAXNOHSKAS-UXHMZNKVSA-N 413.930 4.404 30 40 HIEB Cc1c(/C=N/c2ccc(Cl)c(C(=O)O)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1505840621 ZGUGMCPMLULDGU-YSURURNPSA-N 404.813 4.063 30 40 HIEB CCOc1cc(Br)cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1O 805799 ZOLKKVSJCDVDFH-VXLYETTFSA-N 419.304 4.357 30 40 HIEB COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(C)cc3)o2)cc1 2620012 ALCWUDQHTZMWMK-UHFFFAOYSA-N 408.483 4.093 30 40 HIEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C 2763725 VSCVDXIJDJVKDQ-UHFFFAOYSA-N 420.878 4.224 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2sc(CC)cc2c1=O 3268721 ZIOXVESNBJIAFR-CQSZACIVSA-N 413.568 4.176 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O 3470688 RHLJZYQQWQKFPY-CQSZACIVSA-N 413.568 4.230 30 40 HIEB N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 5358176 ILWXSJWPMMKAPQ-UHFFFAOYSA-N 409.540 4.380 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 6856045 LFPNPQSDUPPUSA-LICLKQGHSA-N 413.476 4.061 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 9507853 RCYUUFKCIQJQDK-UHFFFAOYSA-N 412.689 4.292 30 40 HIEB O=C1/C(=C/c2cc(Cl)cc3c2OCOC3)Oc2c1ccc(O)c2CN1CCCC1 13656323 VHGUOBXGEJOKOW-OCKHKDLRSA-N 413.857 4.124 30 40 HIEB COc1ccc(-c2nnc(S/C(=N/Nc3cccc(Cl)c3)C(C)=O)n2C)cc1 13810373 QHMLTWHJWREUNJ-PTGBLXJZSA-N 415.906 4.251 30 40 HIEB C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC 16702579 HDVDFZOMLWVHOJ-LBPRGKRZSA-N 407.825 4.237 30 40 HIEB COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CCCN(Cc3cccc(C#N)c3)C1)CC2 19498319 CRAGOBZFCVZJGN-PGRDOPGGSA-N 405.542 4.159 30 40 HIEB N#CCCN(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S 25314926 YLIDTBDPWTVPOH-UHFFFAOYSA-N 424.480 4.435 30 40 HIEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 32778177 PGCVPIWFYTWJLP-UHFFFAOYSA-N 422.510 4.099 30 40 HIEB C=CCc1cc(CO)cc(OCC)c1OCc1ccc(I)cc1 34772773 HEWGZCYQASNDBU-UHFFFAOYSA-N 424.278 4.490 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1 58883987 WTSJFSGXQQULTM-STZFKDTASA-N 405.450 4.137 30 40 HIEB C=CCn1/c(=N/C(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(C(C)C)ccc21 101041934 ODHJLJUDHMDJST-DQRAZIAOSA-N 414.552 4.157 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 103356496 MMURDXBMNQFPOY-JKIFEVAISA-N 419.978 4.269 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 222633933 HPBUVXKFHNNQRY-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408555135 VUNCZZNXHQIXDA-SCDVKCJHSA-N 403.649 4.481 30 40 HIEB CCN(CC)CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2ncc(C#N)s2)n1 585294633 SQOUFXMLDABLAK-IBGZPJMESA-N 412.607 4.658 30 40 HIEB Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1 2369696 YMJVBKMWKVKVHJ-DHRITJCHSA-N 410.437 4.203 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)s3)=C(C(F)(F)F)Nc3ncnn32)cc1 2732487 KIGWHXQKWZNUOM-OAHLLOKOSA-N 420.416 4.371 30 40 HIEB Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl 4699835 SVBPDZHBSAHCQX-JJXNMMKVSA-N 405.882 4.378 30 40 HIEB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N(C)C1(C#N)CCCCC1 7538030 HXVQBNZFAALFCA-MRXNPFEDSA-N 409.559 4.310 30 40 HIEB CCc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)sc1C 8209296 QXKKHGULVPTTKK-UHFFFAOYSA-N 419.572 4.122 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2cccn2C)n(-c2cccc(F)c2)c1C 9605519 MSNPIGFLENIXOS-QFIPXVFZSA-N 419.504 4.219 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)CCc2ccsc2)n(-c2ccccc2)c1C 10323299 NHKXPAVDDFIDRY-UHFFFAOYSA-N 407.495 4.142 30 40 HIEB COc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)c1 12285459 QOFSPQIMKQRRSK-OAHLLOKOSA-N 424.309 4.250 30 40 HIEB COC(=O)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 17201396 AKEMZTCLVWDOLC-IMRQLAEWSA-N 411.505 4.195 30 40 HIEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC 408971461 OTNQXLJKULKSGK-VBKFSLOCSA-N 400.356 4.056 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)S2)cc1 409183542 CWDHKEZCHRBFOY-UNOMPAQXSA-N 410.495 4.217 30 40 HIEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 937264 GKKBPCHACKETSW-YVEFUNNKSA-N 406.511 4.097 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C/c1ccc(F)cc1)C2=O)c1ccc2c(c1)OCO2 2235077 QKURRBMJRVKKDZ-ZVBGSRNCSA-N 404.349 4.390 30 40 HIEB COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)s2)c1 4501312 BFGLBGCHLPWMQQ-GFCCVEGCSA-N 411.512 4.281 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc2ccccc2o1 12851306 MAZKHEOQZFXTHF-UHFFFAOYSA-N 406.467 4.314 30 40 HIEB C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(CC)cc1 13843755 URABZEBRDVCCIN-CJGMICOPSA-N 418.565 4.158 30 40 HIEB Cc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](C)CC1=O)N2 14608137 YNDWEJAJKNZPCF-NPMXOYFQSA-N 400.482 4.434 30 40 HIEB O=C(C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)c1ccc(Cl)cc1 16739618 CMTKCRQZRPSHDT-CTJICSLTSA-N 406.294 4.188 30 40 HIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O 17282170 UEFUBRXXQCFROU-OYKKKHCWSA-N 405.889 4.383 30 40 HIEB CCCCOc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)OCC)c(N)c23)cc1 20841341 GBPXHSXPFKFYHU-UHFFFAOYSA-N 410.499 4.355 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 101247306 DWISLYNNRPDGGK-GROYHEBESA-N 416.246 4.196 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 104621778 VPDWATYBCXAIKX-KWQVZSTISA-N 401.249 4.394 30 40 HIEB COc1ccc(COc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)cc1 225847387 FVQZDJQGUIIXMV-UHFFFAOYSA-N 403.269 4.280 30 40 HIEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc(I)c1 408740445 KSMGACJKQOXEQC-ZVCOJXFSSA-N 403.223 4.032 30 40 HIEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 408962240 XOQCKWTWRPUMCX-KEBDBYFISA-N 410.342 4.216 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1 408980816 XXWYJVSDLKOUSE-XLNRJJMWSA-N 403.478 4.167 30 40 HIEB S=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)Nc1ccccc1 3268064 JRXYMFCPDUEWIP-DCUGWFEXSA-N 418.566 4.423 30 40 HIEB N#CCn1c(CSc2ncc(C(F)(F)F)cc2Cl)nc2ccccc2c1=O 3416825 XGIKVAPKZQUFJJ-UHFFFAOYSA-N 410.808 4.280 30 40 HIEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4065274 PATKKIFXSWUZKN-VXLYETTFSA-N 400.782 4.097 30 40 HIEB N#CCCN(CCC#N)C(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 6972780 WIWXJYXWOIDBDK-UHFFFAOYSA-N 415.522 4.287 30 40 HIEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC(=O)O)cc3)c12 8231544 VRRCWKZWOMIZRA-JLHYYAGUSA-N 415.449 4.143 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2SCC#N)nnc1-c1ccccc1 9128641 LKBWFFFTHQCJHP-UHFFFAOYSA-N 421.551 4.478 30 40 HIEB C=CCSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1-c1ccccc1 19897429 QITRKGHORGOFGF-UHFFFAOYSA-N 423.933 4.088 30 40 HIEB COc1ccc(Nc2nc(-n3nc(C)cc3C)c3c(c2C#N)CC(C)(C)OC3)cc1 95479970 RFPDGVUJBFMKCY-UHFFFAOYSA-N 403.486 4.359 30 40 HIEB N#Cc1c(NC(=O)c2ccccc2)n(-c2ccccc2)c(=O)c2cc([N+](=O)[O-])ccc12 101270878 QJZCMCYWXCQIAS-UHFFFAOYSA-N 410.389 4.023 30 40 HIEB CC(=O)[C@H]1[C@@H]([C@@H](C#N)C(N)=S)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920572 HKTPWOIJKNNTFE-GINUQZJTSA-N 414.615 4.167 30 40 HIEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2ccc(Br)cc2)c1N 225843644 NQQCNJHXZRWTOT-UHFFFAOYSA-N 417.694 4.380 30 40 HIEB Cc1ccc(COc2cccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)c2)cc1 251465106 IIPXHJWKMZPJSQ-DKVGFFGZSA-N 400.478 4.105 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1 409350767 YYZHZCNMSYCUEW-LDADJPATSA-N 412.442 4.066 30 40 HIEB CN/C(=N/Cc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 852428 UMGGIKPQVRWVBR-MRXNPFEDSA-N 422.337 4.134 30 40 HIEB CSc1cc(Cl)c(C)cc1S(=O)(=O)/N=C(\O)NNc1ccc(Cl)cc1 1857851 RAWBSQZNHZUTEQ-UHFFFAOYSA-N 420.343 4.243 30 40 HIEB CC1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1 2424721 STKWQYPHHPOZBG-FQEVSTJZSA-N 424.501 4.044 30 40 HIEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1 4498599 DKZHMKMREXNSFR-XQQQEEOESA-N 417.465 4.400 30 40 HIEB COc1cc(/C=N/NC(N)=S)ccc1OCCCOc1ccc(C(C)(C)C)cc1 4599528 CLFYFIXGYPKILC-BUVRLJJBSA-N 415.559 4.008 30 40 HIEB N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2ccc3c(c2)OCCO3)n1 5000356 WENALGIDKHJCPX-UHFFFAOYSA-N 408.845 4.141 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@H]12 5186468 GSRCISJQAVNUPA-LSSDNNNWSA-N 404.469 4.303 30 40 HIEB CO/N=C/NC(=O)c1ncc(C(F)(F)F)cc1SCc1ccc(Cl)cc1 5248308 LRXVYNSOHJTDJS-UHFFFAOYSA-N 403.813 4.366 30 40 HIEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1 17044769 HLLKFWDJJPPZKA-QFIPXVFZSA-N 422.525 4.004 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 17113000 PVWXDVYDYAKGIA-SFHVURJKSA-N 405.841 4.221 30 40 HIEB Cc1ccc(NC(=O)C2=Cc3ccccc3/C(=N/Nc3ccccc3O)C2=O)c(C)c1 17142480 ZVNUDNGOWJBORX-NFFVHWSESA-N 411.461 4.430 30 40 HIEB C=CCOc1c(Br)cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1OC 22076653 YUXGLRBWMRCTJB-IFXJQAMLSA-N 406.320 4.234 30 40 HIEB C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccc2ccccc2c1 33395414 AQZCNQQEFCXVMI-BWAHOGKJSA-N 415.545 4.451 30 40 HIEB CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1 36391190 CSTPQBPLKDJKIW-AWEZNQCLSA-N 407.333 4.483 30 40 HIEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc([N+](=O)[O-])o2)C(=O)C1 100004225 ZTQOCHAOTLVTKI-IBGZPJMESA-N 403.431 4.047 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cccc(C(=O)O)c3)[C@H]2c2ccccc2)cc1 102857610 RMXMBBMZVGGVEK-MRJHHRETSA-N 413.429 4.320 30 40 HIEB COC(=O)Cn1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c2ccccc21 408774738 CQKZCJSOGXZHBU-ODLFYWEKSA-N 405.479 4.014 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)S2)cc1 408962726 TXXAKQXOXFXKGK-CPNJWEJPSA-N 419.462 4.076 30 40 HIEB O=C1NC(=Nc2ccc(C(=O)O)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1 408993696 WTDCUNGGZXBGHL-PTNGSMBKSA-N 423.475 4.416 30 40 HIEB CCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1 501190158 XBRGLDZSORQHQE-UHFFFAOYSA-N 404.495 4.416 30 40 HIEB COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C)o1)C3=O 604404018 IHLCVUOIIFBYHV-LTKMBJGESA-N 403.390 4.400 30 40 HIEB biogenic Cc1ccccc1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O 7615814 SWHWBIVAVZHJAX-UHFFFAOYSA-N 403.463 4.202 30 40 HIEB O=C1/C(=C/c2ccncc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21 9234686 JRQDHSAHDPYQFA-ODLFYWEKSA-N 413.838 4.119 30 40 HIEB N#Cc1ccccc1OCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110532 DSCNQBSUGMYUHV-UHFFFAOYSA-N 408.461 4.106 30 40 HIEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCOCC3)n2)cc1 96346774 NMBBIMMENMHGOF-UHFFFAOYSA-N 423.460 4.072 30 40 HIEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)c2cc(F)cc(F)c2N1C1CSC1 223749670 GCPABTHLAYCFFR-MYYYXRDXSA-N 413.371 4.262 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)S2)cc1 408789979 PGEUINMBWLANOK-NDENLUEZSA-N 404.495 4.389 30 40 HIEB Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 711510 DPNRTKAEBAHJAP-OEAKJJBVSA-N 402.410 4.403 30 40 HIEB COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OC 780222 MXFRSMOQRRHONK-UHFFFAOYSA-N 401.890 4.400 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Cl)c2O)c([N+](=O)[O-])c1 4018541 RYMRQIIINFSERL-OMCISZLKSA-N 415.587 4.071 30 40 HIEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(Cl)cc2Cl)n1 4199595 REUVKMPCGZMDHP-FSJBWODESA-N 416.316 4.303 30 40 HIEB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 6265791 RDKQEVFOKHOGDK-NRFANRHFSA-N 418.449 4.337 30 40 HIEB CCCCCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 8424643 ASRPTYYAEPWBJL-UHFFFAOYSA-N 414.575 4.119 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1ccccc1F 9341743 OIISTEYDDMCLDM-FBHDLOMBSA-N 404.349 4.390 30 40 HIEB C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 13161750 IRUYSMYHMVMAGR-OYHNWAKOSA-N 415.445 4.382 30 40 HIEB Cc1cc(Cl)ccc1OC/C(O)=N/c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 14121723 PGCCSVJDJQRIOA-ZIAGYGMSSA-N 409.939 4.381 30 40 HIEB COc1ccccc1C(=O)OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 68592026 KAJWSYHWWIEVQQ-DTQAZKPQSA-N 416.429 4.354 30 40 HIEB CCCN1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 95409301 SUIGUHCJTYMBFZ-UHFFFAOYSA-N 409.433 4.103 30 40 HIEB CCCCCCCCNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409131011 MPEKPKVGQSKTLV-UHFFFAOYSA-N 402.520 4.432 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 1060106 SVIRSPJEQHMQSZ-ZKKFKWFVSA-N 413.860 4.090 30 40 HIEB biogenic C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@@]132 4027404 PUQXXZQWBYBAOG-WRMBYBKZSA-N 423.597 4.467 30 40 HIEB biogenic Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2sc3c(c2C#N)CCCC3)cc1 5202857 YKBYWDSVCGQCBS-NRFANRHFSA-N 419.506 4.451 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(OC)cc1 6148086 MCQSNMSNCYRXKZ-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB C=CCN1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O 33930503 ORIHWWVJHDKKCI-AQTBWJFISA-N 421.884 4.391 30 40 HIEB CCOc1ccccc1NC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N 35312854 NSZOSGXGCVUDOD-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB COC(=O)c1cc(/N=C/c2ccc(O)c(I)c2)ccc1Cl 408961234 BPDFTZQAQOUDGM-QGMBQPNBSA-N 415.614 4.187 30 40 HIEB CCOC(=O)COc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC 2748727 CFIXWGAAXGABHT-UHFFFAOYSA-N 414.841 4.143 30 40 HIEB CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccs1 4309050 JRAKHMRFDVOIIL-UHFFFAOYSA-N 403.920 4.282 30 40 HIEB CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)o2)cc1 5540601 DAWWMOUDKMOQSD-HNNXBMFYSA-N 402.406 4.205 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1cccs1 6813683 JYCWIIPBAILXSI-SJKOYZFVSA-N 403.887 4.159 30 40 HIEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 7698888 GJLFABUFLRFSQO-UHFFFAOYSA-N 413.528 4.008 30 40 HIEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)OC)cc1 8363734 AXJWFWYCZKUFJU-MSYUKONTSA-N 411.439 4.005 30 40 HIEB CC(=O)Nc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 9423348 NARIXELSACCNFO-UHFFFAOYSA-N 424.913 4.139 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C)n2C2CC2)n(C2CCCCC2)c1C 12794541 QIWMHPWAKMAPAE-UHFFFAOYSA-N 412.563 4.447 30 40 HIEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(OCC=C)c(OCC)c2)C1=O 13939664 GDTVFZBCAMBEFH-PTNGSMBKSA-N 422.300 4.082 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C#N)C1 14426037 ZNYQVCUIGCGDEC-CYBMUJFWSA-N 421.522 4.005 30 40 HIEB COCCn1c(C)cc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)c1C 36773518 OECBLYWNQUBBOY-SSDVNMTOSA-N 403.939 4.171 30 40 HIEB Cn1cc(/N=C/c2ccc3c(c2)c2ccccc2n3C)c(C(=O)NCc2ccco2)n1 101603480 MQAUFJCFADPPBF-DHRITJCHSA-N 411.465 4.339 30 40 HIEB N#C/N=C(\Nc1ccccc1Cl)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 113482000 SIBFSTYSNKEHNJ-OAHLLOKOSA-N 419.293 4.308 30 40 HIEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1 225925431 FWVXIFSMIMWMOQ-UHFFFAOYSA-N 417.538 4.304 30 40 HIEB C#CCOc1c(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OCC 408914533 YIUGFVLHSCAYMM-NDENLUEZSA-N 418.247 4.214 30 40 HIEB CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)OC[C@@H](O)CO 1570009237 PLNQBAAKOOAQEX-IIUXCQHESA-N 414.583 4.464 30 40 HIEB Cc1cc(C)nc(/N=C(/NC(=O)COc2ccc(Cl)cc2)Nc2ccccc2)n1 2286737 PCROIZZZWCONHR-UHFFFAOYSA-N 409.877 4.042 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cccc(OC)c1 2449561 AEBILEFBMYXIME-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 9134433 BMEHEIBXTRXRTL-UHFFFAOYSA-N 424.309 4.420 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@H](C)c4ccccc4)CC3=O)n2)cc1OC 17995018 NLROULHTRQKJCN-CQSZACIVSA-N 421.522 4.101 30 40 HIEB C[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 18197835 BNVQDUVKZOFSMG-RYUDHWBXSA-N 422.466 4.065 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 40159280 ROVXTVGQGWKZAN-UHFFFAOYSA-N 411.796 4.004 30 40 HIEB CC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59679127 VJINLMBJEPWHCF-WYMPLXKRSA-N 404.422 4.444 30 40 HIEB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(COCc2ccc(C#N)cc2)CC1 77191728 OHKPJOYPPAXQHQ-UHFFFAOYSA-N 418.946 4.138 30 40 HIEB CN1/C(=C\C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C(C)(C)c2ccccc21 83817811 CCEXAXGMVZISGX-JLPGSUDCSA-N 423.988 4.338 30 40 HIEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 97954029 WVSDPBMRQIYJFH-QRVBRYPASA-N 424.545 4.364 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c1 102502478 ACKNUDARGCLQMG-HOGKFDNTSA-N 414.461 4.021 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 104198270 YDCWPCVSJXEITH-YDJIHCHBSA-N 412.917 4.022 30 40 HIEB C=CCOc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704738 SANDKDBAUBHLGI-UHFFFAOYSA-N 422.506 4.332 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408728344 JXMLMNHIVWVEGK-DVLAOVSMSA-N 401.249 4.394 30 40 HIEB Oc1ccc(Br)cc1/C=N/c1cc(Br)c2c(c1)OCCO2 1508707 NVHPAOJBGKBOAE-QGMBQPNBSA-N 413.065 4.439 30 40 HIEB N#Cc1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCCCC2 3247273 YGYKHMKNHNUEJT-UHFFFAOYSA-N 418.902 4.103 30 40 HIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 4331420 MNVYKJWUJQZGTA-QGZVFWFLSA-N 423.586 4.437 30 40 HIEB COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1 4993251 NGXAZCGJEIXLNY-QHCPKHFHSA-N 418.493 4.310 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@H]3c2ccc(C(C)C)cc2)cc1 9660450 RXMCLRYAOYCCAH-JPYJTQIMSA-N 415.497 4.221 30 40 HIEB N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2cccs2)CC1 12418630 GKQGNYFYFUEAOA-VMPITWQZSA-N 424.913 4.394 30 40 HIEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c1 13470812 GVERFIGASQKERG-GOSISDBHSA-N 421.478 4.110 30 40 HIEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19015677 USQXBLBPLZHEPI-AREMUKBSSA-N 420.528 4.356 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(C(F)(F)F)Nc3ncnn32)c1 36612265 NJLYHJVMFAJLRY-INIZCTEOSA-N 418.350 4.140 30 40 HIEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(C2CCCCC2)C1=O 100975221 RKPSGRFRQFFAKL-QFPXGYFVSA-N 400.953 4.071 30 40 HIEB COc1ccccc1[C@H]1/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 102702233 MURBHCDFLGBRKF-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 103582060 NYYIVTXISDJVOP-OVCLIPMQSA-N 417.215 4.252 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)c(O)c([N+](=O)[O-])c1 409407561 UODMUXLWPNMLGJ-UHFFFAOYSA-N 420.812 4.213 30 40 HIEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OCC)c1O[C@H](C)CC 409408058 WQHMJGWBNGGRRD-DSIDUYFZSA-N 422.525 4.132 30 40 HIEB Cc1nc2sccn2c1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585293848 BAOJFNBJSHKBIJ-LJQANCHMSA-N 415.526 4.447 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5373808 LFPNPQSDUPPUSA-YVLHZVERSA-N 413.476 4.061 30 40 HIEB C=CCn1c(C)cc(C(=O)COc2ncnc3ccc(Br)cc23)c1C 5937780 BXMBTIQPLWYMHG-UHFFFAOYSA-N 400.276 4.258 30 40 HIEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=S)NC(C)C 6279793 DFDGKWUQAJBJDC-ODCIPOBUSA-N 403.861 4.059 30 40 HIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)N(C)C)c3C)C1=O)cn2C 8993147 JHKCMPIEAZZECI-KEBDBYFISA-N 406.438 4.172 30 40 HIEB N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 9453103 QLQDRMRUULBBSZ-FQEVSTJZSA-N 414.490 4.081 30 40 HIEB N#Cc1c(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)sc2c1CCC2 9669462 LIAXDXNUIODMHG-UHFFFAOYSA-N 421.551 4.297 30 40 HIEB COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N/c2cc(C)cc(C)c2)NC1=O 12566271 FYXDZLJVBXVTEY-QGZVFWFLSA-N 417.918 4.213 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 19519957 VOUZNFZIRCFUCF-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB N#CCc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 20041497 PLWZONPNZXQAGS-UHFFFAOYSA-N 418.424 4.266 30 40 HIEB Cc1c(C#N)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)n(-c2ccccc2)c1C 32915671 TYTPOYCYXFJZHX-UHFFFAOYSA-N 422.435 4.003 30 40 HIEB COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 40288059 SXFPEJWRKIBECI-JLTOFOAXSA-N 406.417 4.197 30 40 HIEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 95483062 FILWHYVYYNFMSI-LJQANCHMSA-N 403.507 4.452 30 40 HIEB C=CCN(Cc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224480793 GKLRNVMJMIOMPR-UHFFFAOYSA-N 420.962 4.245 30 40 HIEB COc1cc(Br)cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c1O 408859252 RLAPNKLKJSETLJ-AUWJEWJLSA-N 423.263 4.194 30 40 HIEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1 409074506 MILIOXBXVXOMAL-KGENOOAVSA-N 412.423 4.122 30 40 HIEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)[nH]c1C 409333818 JRHZGLJQTVWISS-LLVKDONJSA-N 401.308 4.500 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1ccccc1OCc1ccccc1Cl 409348213 OGLGBOLWHNTSKD-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB O=C1C[C@@H](c2ccco2)c2c(ccc3c2O/C(=C/c2ccc4c(c2)OCCO4)C3=O)O1 1547138129 LBCGITJENXLQBG-BBJIBYMTSA-N 416.385 4.108 30 40 HIEB O=C(C[C@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 5649897 STNWWFDJELGPNZ-OAQYLSRUSA-N 411.486 4.280 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 12408572 RKHJBAJUNGIJNO-SZNDQCEHSA-N 418.453 4.066 30 40 HIEB CCN1CCN(Cc2c(O)cc(C)c3c2O/C(=C\c2cc4ccccc4o2)C3=O)CC1 22935554 LSHDJKHEUZKSOI-HMAPJEAMSA-N 418.493 4.201 30 40 HIEB CS(=O)(=O)Nc1cc(/N=C(\O)c2ccccc2SC[C@H]2CCCO2)ccc1F 25670330 NUURSNOCGUUBPT-CQSZACIVSA-N 424.519 4.105 30 40 HIEB C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)cc1 100289345 RFVPYXZNJFCFLP-UVOXWLTBSA-N 408.479 4.272 30 40 HIEB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N 408814130 RPPVCYNGMHXBOA-MFOYZWKCSA-N 414.870 4.465 30 40 HIEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)S2)cc1 408950013 DBMBTKOEWBOSAO-DEDYPNTBSA-N 402.479 4.455 30 40 HIEB Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cn2ccnc12 502777588 MXTDSTSDDQWPPG-UHFFFAOYSA-N 407.905 4.413 30 40 HIEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c2ccccc12 803688 OGSBYTGQRYRNDF-HXUWFJFHSA-N 421.493 4.339 30 40 HIEB CCOc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)ccc1OCc1ccccc1 915060 KKEPHVDNURIWJD-JOCHJYFZSA-N 404.470 4.134 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2622795 MMQYVOGHEBDYPM-QFIPXVFZSA-N 423.517 4.220 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)s3)=C(C(F)(F)F)Nc3ncnn32)cc1 2732486 KIGWHXQKWZNUOM-HNNXBMFYSA-N 420.416 4.371 30 40 HIEB NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1c1ccccc1 3176727 MYLAQYYXTZJXTI-UHFFFAOYSA-N 412.312 4.289 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc(-c3ccccc3)cc2c1=O 6111692 LYJDBEKBKCVSSB-CYBMUJFWSA-N 411.552 4.070 30 40 HIEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)cc1 8614955 NPAMMVFGMVCLGF-UHFFFAOYSA-N 402.410 4.401 30 40 HIEB CCCOc1ccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1 9360328 WHAXUFUBAAVZCY-HYARGMPZSA-N 404.499 4.295 30 40 HIEB COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 9632633 XYBJOSKBAPZUMI-UHFFFAOYSA-N 422.510 4.401 30 40 HIEB C=CCN(C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 12944934 GIDRSGGRWPKOST-UHFFFAOYSA-N 419.506 4.145 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S 13899337 XCBKRDOEOKPKAJ-YBEGLDIGSA-N 402.453 4.251 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(F)cc4)n3)cc21 19820191 OYRVWYJOAVCRHW-UHFFFAOYSA-N 409.442 4.113 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(F)c1 35164382 ORNNQXGJUHUUKO-OAQYLSRUSA-N 404.526 4.402 30 40 HIEB N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 40139018 LXEWHTBSRGGSTH-UHFFFAOYSA-N 414.387 4.132 30 40 HIEB C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)C#Cc1ccccc1)c1ccccc1 95951567 JHXBYQJVECWVEW-ROSOWXQZSA-N 420.553 4.129 30 40 HIEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc(OCC)c1O 100756014 VWGIZZVVPDJXSR-DENIHFKCSA-N 420.557 4.171 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2Cl)cc1 408723168 NYKIABUGZIZMNI-KEWMMQSOSA-N 406.869 4.060 30 40 HIEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 934466 JHLICAGJXXRYAK-OAHLLOKOSA-N 415.833 4.114 30 40 HIEB COc1ccc([C@H](C#N)Cc2cc(OC)c(OC)cc2Br)cc1OC 2266602 FTSDHBCSXQKJCU-AWEZNQCLSA-N 406.276 4.333 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)cc1 19138220 KXWGLRUVDJSVOI-NRFANRHFSA-N 400.434 4.182 30 40 HIEB C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1Br 32934569 VXMSUIKPGTVXCS-GOSISDBHSA-N 404.329 4.069 30 40 HIEB C=CCc1cc(/C=N/c2cccc(Br)c2)cc(OC)c1OCC(=O)O 59250222 PISYUORUFCJEPX-SRZZPIQSSA-N 404.260 4.400 30 40 HIEB C=CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224717698 QIOQGOIRTNQQSX-UHFFFAOYSA-N 400.283 4.161 30 40 HIEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)c(Br)o2)C1=O 408949286 ALXBTOUCGZTGAD-QFBUEOOFSA-N 407.083 4.415 30 40 HIEB Cc1oc(/N=C/c2cc(Br)c(O)c(Br)c2O)c(C#N)c1C 409085888 TWPXTJBOLRFUIH-BLLMUTORSA-N 414.053 4.455 30 40 HIEB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)c(Cl)c1 409149979 XBCXCSLWNUZISC-CXUHLZMHSA-N 413.911 4.066 30 40 HIEB O=C(O)COc1c(Br)cc(Br)cc1/C=N/c1ccccc1 409199183 BPHXNXMWEJOWGG-QGMBQPNBSA-N 413.065 4.426 30 40 HIEB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O 409232220 PCFHERWCLWPTFW-BKUYFWCQSA-N 423.538 4.040 30 40 HIEB CCN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S/C1=N/c1ccc(F)cc1 409242136 MOCLPFZPUYGHPI-PBOSUUDUSA-N 415.402 4.087 30 40 HIEB C=CCOC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccccc1 1848351923 PBQMEJRSWKUEMF-WXFUMESZSA-N 406.526 4.308 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F 1438561 IMICYJXCLONDQP-WNSKOXEYSA-N 421.468 4.369 30 40 HIEB COc1cc(/C=N/n2cn[nH]c2=S)ccc1OC(=O)c1ccc(Cl)cc1Cl 1918430 HPSFBRUZTVNNIA-ODCIPOBUSA-N 423.281 4.357 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O 2352996 HZFOUUWXUMDLRU-IIGRLWHBSA-N 411.527 4.338 30 40 HIEB C=CCSc1nnc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)s1 2627714 SQCLOSILPYXPTL-UHFFFAOYSA-N 411.508 4.065 30 40 HIEB CC(C)(C)CC(=O)Nc1nc(NC(=O)CC(C)(C)C)nc(-c2cccc(C#N)c2)n1 3843406 QJQLYZKZTHTHMC-UHFFFAOYSA-N 408.506 4.160 30 40 HIEB biogenic Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=N/NC(N)=S)c1 4512229 GVUBSWWJIWBCCC-FSJBWODESA-N 405.951 4.397 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 6813686 OSJQPTAIBQRBOX-BEFAXECRSA-N 415.848 4.236 30 40 HIEB CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 95995680 LQNFQCXGMROICM-UHFFFAOYSA-N 409.433 4.102 30 40 HIEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(=O)OC)cc3)S2)cc1 110704864 FBLFXCSIPUMOHZ-XMHGGMMESA-N 409.511 4.211 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 112255122 IUGKNIUTVUXXSB-DJKKODMXSA-N 415.293 4.256 30 40 HIEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(Cl)cc3)n2)cc1 223669221 RYAWFBZRXPDOSG-UHFFFAOYSA-N 424.913 4.254 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 2023057 RJLWILLCCAFAQP-NRFANRHFSA-N 413.514 4.348 30 40 HIEB N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3273558 GXBRFTVKIJIQTI-UHFFFAOYSA-N 418.836 4.238 30 40 HIEB CCCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc2c1=O 3288227 MYWSPAFKLWNQFE-UHFFFAOYSA-N 420.538 4.236 30 40 HIEB C=CCN(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)c(C)c1 3328874 ISSWMTFZUASHJB-UHFFFAOYSA-N 408.523 4.272 30 40 HIEB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NC1(C#N)CCCCC1 7844278 WTCYLHYBTQWEPW-AWEZNQCLSA-N 415.588 4.089 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 7977890 HZQOHRVPNXXXPL-FMIVXFBMSA-N 408.479 4.062 30 40 HIEB COc1ccc(-c2cnnc(N/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 8452674 CPVUJBKNSIFPSP-WSDLNYQXSA-N 416.397 4.161 30 40 HIEB N#CCCn1cc([C@H]2CC(c3ccc(Br)cc3)=NNC2=O)c2ccccc21 16844430 TZBFRAKIZWHGOP-QGZVFWFLSA-N 421.298 4.325 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)cc1 25638459 PIOJOIKPIHRJJD-UHFFFAOYSA-N 411.505 4.095 30 40 HIEB CCOC(=O)c1cccc(-c2ccc(/C=N/Nc3nc(C)cc(COC)c3C#N)o2)c1 59433739 ISUBLQDQMILADU-DHRITJCHSA-N 418.453 4.291 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1 78549950 ITWKNVAPHNIHTJ-QFIPXVFZSA-N 423.509 4.479 30 40 HIEB N#Cc1ccc(COCC2CCN(C(=O)c3ccccc3Br)CC2)cc1 206599500 VNNPCOZRUCWPMH-UHFFFAOYSA-N 413.315 4.390 30 40 HIEB COc1ccc([S@](=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2C#N)cc1 1404338 SOZOBOQYVDXLMP-GDLZYMKVSA-N 412.417 4.264 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(OC)cc1 2443597 VAFSBOSEMFKWKD-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1OC 3303485 BFQGOIRHKNPLIQ-UHFFFAOYSA-N 420.538 4.211 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C(C)(C)C)[C@@H]1c1ccco1 5091611 HGRBKXLQZQPZDV-HULNYRCFSA-N 418.493 4.336 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 5382845 DVFBKKAFIKJOJZ-UHFFFAOYSA-N 414.918 4.427 30 40 HIEB COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@@H]2C[C@@H]2c2ccc(OC)cc2)cc1 5527105 DQHSSEBQPVXARH-TXMURAQZSA-N 402.450 4.464 30 40 HIEB CCNC(=S)N/N=C/c1ccc(OCc2cccc(C)c2)c(Br)c1 6349344 RREKZMANHYWKLF-SRZZPIQSSA-N 406.349 4.154 30 40 HIEB N#Cc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 7789723 XENMQXWAPCRMKN-UHFFFAOYSA-N 414.494 4.364 30 40 HIEB COc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)NN2c2nc(C)cc(C)n2)c1 8558957 ONJWLDRQTFUKOV-SBUREZEXSA-N 416.481 4.162 30 40 HIEB N#Cc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C2CC2)c1 12993119 QOKVTCCHWQFMLF-UHFFFAOYSA-N 423.270 4.176 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@@H](C)C(C)C)cc1 32828933 IRAUCLBUVJSYKU-OXJNMPFZSA-N 408.527 4.433 30 40 HIEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl 32975562 URCIINLYZGRESW-UHFFFAOYSA-N 422.909 4.096 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100973810 JZNQPJNDVZGYCF-WMUNDEBQSA-N 418.927 4.187 30 40 HIEB CCOc1cc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408931592 NQHNKCWEUBJAQG-HYARGMPZSA-N 419.319 4.444 30 40 HIEB N#CCOc1ccc(Br)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409031938 IDJIMDAOPLCHEH-HCDFXORVSA-N 422.098 4.065 30 40 HIEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1 409327120 QCJOVGHVWDRTBG-LBPRGKRZSA-N 400.276 4.260 30 40 HIEB C=CCn1c(SCC(=O)NC(C)(C)C)nc2scc(-c3cccs3)c2c1=O 3472693 BVXNZZAMYQYRAT-UHFFFAOYSA-N 419.597 4.379 30 40 HIEB C=CCOC(=O)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586263 PBCMOQWZZGCEMS-UHFFFAOYSA-N 406.390 4.323 30 40 HIEB biogenic CCOC(=O)[C@@H]1CSCCN1C/C(O)=N/c1c(Cl)cc(Cl)cc1Cl 31578637 ZLPZGZKMQGHIKW-LBPRGKRZSA-N 411.738 4.215 30 40 HIEB O=S1(=O)CC/C(=N/Nc2cc(C(F)(F)F)ccc2Cl)c2cc(F)ccc21 33042675 PFOOBARHXNHOSS-XKZIYDEJSA-N 406.788 4.492 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O 36093490 FOXYDHCYCFBZHT-LSIOVLHASA-N 424.570 4.395 30 40 HIEB CCCOc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)c1 102726498 BMXAZPNOKNGTHO-MRJHHRETSA-N 418.449 4.398 30 40 HIEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 408722559 KNPPJDHQJZELQS-QOCHGBHMSA-N 405.366 4.307 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccccc2C)cc1OC 4435906 AEBJVLGJEBEUDA-WAIKUNEKSA-N 416.481 4.019 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccc(C(=O)OC)cc1 4679875 IXMFLEGNLILZLL-PIJRJAKLSA-N 410.495 4.414 30 40 HIEB CCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2)N(C)C1=O 5752765 KVGFITSFAYUOSU-MBOBHEEDSA-N 417.918 4.329 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 9108559 DOYPQUVEUMDIHR-OAQYLSRUSA-N 401.418 4.184 30 40 HIEB CSc1nc(C2CC2)cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)c1C#N 26985715 FBTRYNYHZSTNJG-UHFFFAOYSA-N 402.859 4.292 30 40 HIEB COc1ccc(OC)c(/C=C2/Oc3c(ccc(O)c3CN3CCCC[C@@H]3C)C2=O)c1 36066001 MOACJKZREYOZJW-NSMHLIOHSA-N 409.482 4.400 30 40 HIEB C=CCS[C@@]1(Br)NC(c2ccc(OC)cc2)=C[C@H](c2ccco2)N1 101320923 PDHUDWLPRZRZEY-AEFFLSMTSA-N 407.333 4.489 30 40 HIEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(SC)cc1 224995343 ADLHXDHLZNWVMG-UHFFFAOYSA-N 413.948 4.460 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408809896 SMEJUBLTYYWJKR-SFQUDFHCSA-N 410.857 4.188 30 40 HIEB COCCCN1C(=O)/C(=C/c2cc3c(cc2C)OCO3)S/C1=N\c1ccccc1 408933708 KGASJLFONLSQIX-JDJFWADASA-N 410.495 4.364 30 40 HIEB N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3cccc4[nH]ccc34)cn2)cn1 585294092 NOFCAYWVRRHXSN-QHCPKHFHSA-N 409.497 4.695 30 40 HIEB CN(C(=O)C1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 1390291 GTOMKZSMLPJURD-UHFFFAOYSA-N 414.933 4.019 30 40 HIEB C=CCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2219050 KUFGKUAKKGBAER-UHFFFAOYSA-N 408.845 4.161 30 40 HIEB COc1ccc(N2CCN(c3oc(COc4ccccc4Cl)nc3C#N)CC2)cc1 2337317 UXCJRWKSACWOHQ-UHFFFAOYSA-N 424.888 4.114 30 40 HIEB CC(=O)c1cc(C#N)c(SCCSc2nc(C)c(C(C)=O)cc2C#N)nc1C 5921445 OTVWRFHFRZWHFK-UHFFFAOYSA-N 410.524 4.126 30 40 HIEB COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3ccncc3)nn21 6508434 NVWFSPMZDITINI-FQEVSTJZSA-N 401.470 4.007 30 40 HIEB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC1(C#N)CCCCC1 7763730 MQXIMPLMJYWFEC-ZDUSSCGKSA-N 401.561 4.165 30 40 HIEB CCOC(=O)COc1c(Br)cc(/C=N/Nc2ccc(C)cc2)cc1OC 8398823 PYHDTYJKDWFJLF-SRZZPIQSSA-N 421.291 4.154 30 40 HIEB CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c(O)c1 13564540 JWCCDHPEWDZONC-LFVJCYFKSA-N 400.954 4.044 30 40 HIEB C=CCc1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)c(OC)c1 13727824 YGDFFDMCPVIFPD-UHFFFAOYSA-N 409.555 4.234 30 40 HIEB O=C1/C(=C\Nc2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2)c2ccccc21 20558872 DTZRTWGPWBTKNA-KGENOOAVSA-N 408.454 4.312 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N[C@@H](C)C(C)C)cc1 32828939 IRAUCLBUVJSYKU-JXFKEZNVSA-N 408.527 4.433 30 40 HIEB Cc1ccccc1NN=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 104142372 BIYQWZQZFFAHEQ-UHFFFAOYSA-N 414.490 4.128 30 40 HIEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCOCC2)o1 408773323 IAQMQXAJOYEBSP-UVTDQMKNSA-N 424.309 4.315 30 40 HIEB C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Cl)cc1 3604177 CJQINMCUWDYPKW-UHFFFAOYSA-N 412.946 4.236 30 40 HIEB CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CC(C)(C)NC2(C)C 4275293 RUYDKUBHCYFYGZ-UHFFFAOYSA-N 411.527 4.208 30 40 HIEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1=O 5685119 GKBNCLKGRQUBHC-UHFFFAOYSA-N 412.470 4.291 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(/NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1 8670846 ODQYVFLWNBEQBS-UHFFFAOYSA-N 423.563 4.426 30 40 HIEB C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1cccc(C#N)c1 9119017 FOZSFJCJOPAWPT-INIZCTEOSA-N 422.444 4.352 30 40 HIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC(F)F)cc3)ccc2c1=O 12607244 OWIPGXLSRHKCAQ-UHFFFAOYSA-N 403.410 4.099 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2ccsc2c1=O 12636476 GVNQLVYAUYCRRJ-GBJTYRQASA-N 405.589 4.066 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c1 19138439 FSMZMGBNUCMYTL-OAQYLSRUSA-N 400.434 4.182 30 40 HIEB CCOc1cc(/C=C2/CN(CC)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O 33750277 FSDQABVWNFPNJO-UHWBUFEVSA-N 423.509 4.267 30 40 HIEB N#Cc1c(F)cccc1N1CCC([C@H]2CCCCCN2C(=O)C2CCOCC2)CC1 71890492 RMBMKNVRWOHTID-JOCHJYFZSA-N 413.537 4.112 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 102504147 WMANSRHNQFYKDJ-MRJHHRETSA-N 409.482 4.234 30 40 HIEB COc1ccc(N=C2NC(=O)/C(=C\c3c(C)nn(-c4ccccc4)c3C)S2)cc1 408995572 BEBDGOYVUSAZFQ-DEDYPNTBSA-N 404.495 4.389 30 40 HIEB N#CCCN(C(=O)COC(=O)c1cc(Br)ccc1Cl)c1ccccc1 3361631 VWQDEENKNVPPAM-UHFFFAOYSA-N 421.678 4.206 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccco2)n1 4979927 HATNFDWZFJCVLB-HXUWFJFHSA-N 403.486 4.381 30 40 HIEB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(C#Cc2ccccn2)c1 23881770 LYNMTOZSXXKOOI-UHFFFAOYSA-N 400.463 4.164 30 40 HIEB CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 31773602 DMZKBEASIYKSBS-UHFFFAOYSA-N 404.923 4.392 30 40 HIEB Cc1ccc(/N=C(/[C@@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 35616542 OBUUYWWUWWEPIX-ZBPGLEGESA-N 411.509 4.392 30 40 HIEB Cc1ccc(N/N=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 95215281 LTXPGCSTSMOQFU-YYDJUVGSSA-N 413.437 4.431 30 40 HIEB Cc1ccc(-n2c(C)cc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1Cl 408587687 GRFFRCVXKVWRNW-WEXFQJRXSA-N 407.901 4.197 30 40 HIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc3c(cc2C)OCO3)S1 408865286 CUSQTWIEQPPXPD-IDUWFGFVSA-N 402.859 4.277 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C)cc1 2447161 SMQXSBMRVYQNKF-UHFFFAOYSA-N 407.543 4.236 30 40 HIEB CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O 4957057 JQMMNYZAOBYFHP-GKYNBQQKSA-N 415.490 4.087 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O 5212680 QUSRVYAKTFVPAZ-DVOMOZLQSA-N 419.616 4.294 30 40 HIEB CC[C@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5931406 ITVFMEDENRGAKJ-BLLLJJGKSA-N 410.543 4.256 30 40 HIEB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccccc3C#N)c2)c1 6681248 RHQJCQNABMDSNT-UHFFFAOYSA-N 411.508 4.006 30 40 HIEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4C)CC3=O)Nc3ncnn32)cc1OC 9109904 IAGYUVIKKIJPNR-QMHKHESXSA-N 416.481 4.019 30 40 HIEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](Sc1ccccc1)/C2=N\O 17903306 IOEXOESFPUIGLA-IKBYJFNHSA-N 404.513 4.169 30 40 HIEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)-c1ccccc1C2 24924221 AANRSMDXKMEPOM-UHFFFAOYSA-N 407.477 4.360 30 40 HIEB N#Cc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 110422805 DWGBVXWCWAOGGF-QGMBQPNBSA-N 423.563 4.007 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 253568013 KTDDSVMASCTATP-YZHFILLJSA-N 420.896 4.450 30 40 HIEB CCOc1cccc(/C=N/N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408589253 LDDZJPHDWZHINS-BEGRVCHPSA-N 422.484 4.311 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)n1-c1ccccc1Cl 408591468 UDWIBTVBBQYOEG-IOESMUPDSA-N 419.912 4.135 30 40 HIEB O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 408731687 OXLIGIKEVXVKMW-NRFANRHFSA-N 415.474 4.408 30 40 HIEB O=C1NC(=Nc2ccccc2I)S/C1=C/c1ccccc1 408748521 DLODELZDLGYJDD-GXDHUFHOSA-N 406.248 4.183 30 40 HIEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(OC)cc3OC)cc2)cc1 408813502 QMZKTAMDKKDBES-MYYYXRDXSA-N 420.465 4.481 30 40 HIEB N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)CCCC2 408978327 IFGLBLCCFRQFCX-UHFFFAOYSA-N 400.438 4.568 30 40 HIEB C#CCOc1ccccc1C=Nn1c(CCC)nc2ccc(Br)cc2c1=O 409309690 LAGUZCDZNOEPDP-UHFFFAOYSA-N 424.298 4.006 30 40 HIEB C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(Cl)cc1 2645231 FSWIZLAPJQOQFD-UHFFFAOYSA-N 424.913 4.173 30 40 HIEB N#Cc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3349805 ONOUIJYNFIUNAQ-UHFFFAOYSA-N 404.426 4.387 30 40 HIEB CCCCOc1ccc(S(=O)(=O)/N=C(\O)NCc2ccc(OCCC)cc2)cc1 4587286 OVSKWLGCGUYUDZ-UHFFFAOYSA-N 420.531 4.047 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C#N 8437678 VAENRGVUISGSIU-YSURURNPSA-N 424.844 4.466 30 40 HIEB CSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)s1 9187339 WHPLRZOLEVFCFE-CYBMUJFWSA-N 415.521 4.104 30 40 HIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1C#N 9233786 HDEOQMNVTWYBOP-KSEXSDGBSA-N 421.413 4.031 30 40 HIEB CCOC(=O)COc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119058 DHWPDWNJZDXIAG-FOKLQQMPSA-N 411.285 4.068 30 40 HIEB CC(C)(C)[C@H]1CCc2c(sc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)c2C#N)C1 13580075 QXMHGAKDNUYASZ-LBPRGKRZSA-N 408.479 4.270 30 40 HIEB C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c2O/C(=C\c2ccc4c(c2)OCO4)C3=O)C1 20624632 UUVNITKCSVJHDM-KGWFAZQESA-N 407.466 4.215 30 40 HIEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(N(C)C)cc3)o2)C[C@H]1C(C)C 35442686 IPYIAAYRMFFFRH-FUDKSRODSA-N 406.574 4.423 30 40 HIEB biogenic,in-vitro C=CCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 101211455 VMAKPQDAQDDSQC-HXUWFJFHSA-N 407.539 4.074 30 40 HIEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 102873868 AJSDTIPUPLRZCF-MRJHHRETSA-N 409.482 4.234 30 40 HIEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224732866 PRXQJAPPYFWIQR-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB C#CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CCOCC)C2=O)cc1 408929556 KVZYMMSBPVGXGB-AVBTWHCCSA-N 406.507 4.339 30 40 HIEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2cccc3ccccc23)C2=C1CCCC2=O 409210295 JDTDMVBDFIWSIQ-UHFFFAOYSA-N 401.462 4.338 30 40 HIEB COc1cc(N(C)C)ccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409284614 LXKSOUQUJMEJSP-UHFFFAOYSA-N 404.514 4.401 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N 4750718 YYIXGBXBSNRWRC-FOKLQQMPSA-N 405.414 4.331 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 4936388 XEXLJSHWDUUMJS-MJHJUBQXSA-N 411.527 4.338 30 40 HIEB N#CCCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(F)cc1 9127802 BJFIMYQUAHTEAR-UHFFFAOYSA-N 421.501 4.323 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10329145 VVEJVRILSXAIFS-OAHLLOKOSA-N 422.934 4.006 30 40 HIEB N#Cc1ccccc1-c1ccc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 23450593 LWKVQTKPRBKHER-UHFFFAOYSA-N 424.456 4.345 30 40 HIEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(Br)c(O)cc2O)S1 59459382 ZMVFZLKTHGCVME-CHHVJCJISA-N 405.273 4.060 30 40 HIEB Cc1sc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)c1-c1ccc(C(C)C)cc1 102632136 HVCSFLDSJWXOSE-HNBVOPMISA-N 406.507 4.385 30 40 HIEB C=CCc1cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc(OC)c1O 408955730 YUOIVWXOSSFKII-CPNJWEJPSA-N 410.495 4.420 30 40 HIEB C=CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 409089569 OCIFMFPCDXULBA-LDADJPATSA-N 412.442 4.066 30 40 HIEB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3OC)c(C#N)cc2c1 649524 DXSZJRRFUVBZSF-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 5309641 OFPJBCCYVIPWCM-QGZVFWFLSA-N 408.523 4.408 30 40 HIEB C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F 5500100 KTXAPWMNOWSUMJ-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB C(=N/Nc1nncc2ccccc12)\c1sc(N2CCOCC2)nc1-c1ccccc1 8403973 QILQHSDIFRAWLS-BUVRLJJBSA-N 416.510 4.036 30 40 HIEB C#CCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(Br)ccc21 16890199 HYKFVVKUUJOOGS-MGXKBMBFSA-N 403.326 4.301 30 40 HIEB COc1ccc(CN/N=C/c2ccc(OCc3cccc(C#N)c3)cc2)cc1OC 20196369 XTHQTRXIGNGPPN-CVKSISIWSA-N 401.466 4.278 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 35164380 WKVFSFFSTIBSKV-NRFANRHFSA-N 404.526 4.402 30 40 HIEB COc1ccc2nc(NCCCNC(=O)Nc3ccc(F)cc3F)c(C#N)cc2c1 35312339 UBCVJRSWPJVQQO-UHFFFAOYSA-N 411.412 4.017 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@H]12 61992806 DYNOLVYTIQFOGO-BBPVLXATSA-N 412.549 4.262 30 40 HIEB biogenic C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(C)cc1 409234958 BKCZIZQVJMWLKF-DEDYPNTBSA-N 406.482 4.224 30 40 HIEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(SC(F)F)cc3)c2)c1 3344457 GHVHWGZMZNNYCX-UHFFFAOYSA-N 412.417 4.269 30 40 HIEB COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(Cl)ccc1C#N 3586219 RKXYPPLDTWOVJW-UHFFFAOYSA-N 422.710 4.053 30 40 HIEB N#Cc1ccccc1-c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1 4544233 PRDQQZJLMNUSFV-BRJLIKDPSA-N 400.463 4.351 30 40 HIEB C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O 14201067 LDMXBXLPZCMUFU-GOSISDBHSA-N 413.930 4.158 30 40 HIEB N#Cc1cc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1N 18240445 WPKQEGBHKAUSDG-UHFFFAOYSA-N 415.503 4.329 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1F 26458922 YUOSHBOVYMRKHX-FQEVSTJZSA-N 407.397 4.206 30 40 HIEB COc1cc(/C=N/Nc2nc3ccccc3nc2Cl)cc(Br)c1O 32501693 DZWCILPTWDLKFQ-UFWORHAWSA-N 407.655 4.206 30 40 HIEB COc1cccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1O 33330239 JUVNZBWRLANMRB-SSDVNMTOSA-N 402.516 4.156 30 40 HIEB CCCN1C(=O)[C@H]([C@H](O)c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 100296884 XQCOPZGVLCIBGN-SBONIWPVSA-N 414.527 4.169 30 40 HIEB C/C(Cl)=N\OC(NC(=O)Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F 100677818 WXIFLJJOFGSKRC-MUDSWDHVSA-N 413.105 4.266 30 40 HIEB C=CCN(Cc1ccc(C(=O)N[C@@H](C)CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224480717 XHMPCHBTKRTSEU-INIZCTEOSA-N 420.962 4.245 30 40 HIEB C=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](OC(=O)C[C@H](C)CC)[C@@H]12 225452282 VARCUXZWTHLZBR-ULIQVZERSA-N 406.519 4.132 30 40 HIEB biogenic,in-vitro O=C1NC(=Nc2ccccc2I)S/C1=C/c1ccc(F)cc1 408750045 WRCWWIKIVFSPFE-NTEUORMPSA-N 424.238 4.322 30 40 HIEB CN(C)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Br 409040857 IMCYZLZPKNXNAA-MPUCSWFWSA-N 410.131 4.229 30 40 HIEB Cc1cc(C)c(NC(=O)/C=N/OCC(=O)N[C@H](C)CCc2ccccc2)c(Cl)c1 2658342 PMFVDNUZSVSSRZ-ZRWQFTNJSA-N 415.921 4.035 30 40 HIEB COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 3098451 BXJHGDJDSVBNKR-JOCHJYFZSA-N 411.498 4.158 30 40 HIEB Cc1ccccc1N/N=C/c1sc(=O)n(Cc2cccc(C(=O)O)c2)c1Cl 5024736 ACWIYMILUIVTKE-UFFVCSGVSA-N 401.875 4.064 30 40 HIEB Cc1c(OCC(=O)OC(C)C)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 8993422 BPGQKOGHBQOWTD-SRZZPIQSSA-N 405.450 4.433 30 40 HIEB Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)cc1 12418241 MMWSJCVDMFSTBW-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N1CCN(Cc2ccccc2Cl)CC1 25326804 OOABNRGXCOJUIC-UHFFFAOYSA-N 423.731 4.121 30 40 HIEB O=C(COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)Nc1ccc(F)cc1 28215648 OEKQIYNEURKRSH-ZVHZXABRSA-N 422.485 4.164 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(CC)cc2)=N1 57401483 PIYAHRZGPCKKLX-UHFFFAOYSA-N 408.527 4.171 30 40 HIEB C=CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 224372958 CFPACWDSHRKKOF-UHFFFAOYSA-N 410.470 4.459 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 2616297 AKPPLHNAUVUROI-UHFFFAOYSA-N 409.902 4.387 30 40 HIEB Cc1nn(C[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1Br 2791694 KSNMVWMMIOULDL-JTQLQIEISA-N 421.364 4.349 30 40 HIEB COc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 3073722 PAFORFODQVWLDI-QFIPXVFZSA-N 408.542 4.312 30 40 HIEB CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N 4328267 LAPWMKGSGLMNJI-MISYRCLQSA-N 411.600 4.176 30 40 HIEB COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C(C)(C)C)[C@@H]1c1ccccc1 5091681 JFQAIFJOVLOBRN-IFOBJOEFSA-N 414.505 4.353 30 40 HIEB C=CCOc1c(Br)cc(CNCc2ccc(C(=O)O)cc2)cc1OC 7525080 NPRJIMMHPWWHSP-UHFFFAOYSA-N 406.276 4.011 30 40 HIEB CCOc1cccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)c1O 9320497 YKGPLABMTKQYFJ-VXLYETTFSA-N 419.304 4.357 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC 13135212 YJCXAMSROSLOLD-GQCTYLIASA-N 405.244 4.481 30 40 HIEB N#Cc1cc2c(N)c(C(=O)Nc3ccccc3Oc3ccccc3)sc2nc1N 20000495 KYLUSTXBGRNIEH-UHFFFAOYSA-N 401.451 4.377 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 22010765 DOETUCTZKWBCNN-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB O=C(C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O)c1ccccc1 32984118 CPSVDZBNZJCAJJ-UHFFFAOYSA-N 405.431 4.065 30 40 HIEB CC(C)=CCC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 40431403 GYXPHGPELZUVGI-QYGPLFBNSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 100181846 NYERNECKBAKABG-UOXFCQRZSA-N 409.489 4.221 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 102713639 RKCJGWAHAUYWTL-JBCNATCCSA-N 418.449 4.398 30 40 HIEB Cc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 102784444 KLGTXKRPWFMKHB-OUKQBFOZSA-N 411.483 4.209 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 102927374 BZWCUGBDUQVCDZ-SELCWUDQSA-N 420.292 4.452 30 40 HIEB Cc1cc(O)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 408543912 QPEQDOLLJDUWLV-LBPRGKRZSA-N 416.572 4.306 30 40 HIEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc2c(c1)OCO2 408961888 VHKHKFAESXXIDF-GWBOVJIUSA-N 407.495 4.249 30 40 HIEB COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 4498670 ALNYTXAISJBKSQ-XQQQEEOESA-N 415.449 4.415 30 40 HIEB N#Cc1c(CCCCCNc2nc(-c3cccs3)nc3ccccc23)n[nH]c1N 7738344 MHZZFTHMGFOSND-UHFFFAOYSA-N 403.515 4.360 30 40 HIEB CC1(C)CC(=O)C(=CNc2cccc(N[C@H]3CC(C)(C)CC(=O)[C@@H]3C#N)c2)C(=O)C1 20095855 ONHHGCWTLSCVFB-MJGOQNOKSA-N 407.514 4.250 30 40 HIEB C=CCSc1nnc(NC(=O)COc2cc(C)c(Br)c(C)c2)s1 223604434 FWXVBXMUHLOULF-UHFFFAOYSA-N 414.350 4.213 30 40 HIEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Br)S/C1=C/c1ccccc1 408752809 KBTAOPRWDRWXQZ-RIYZIHGNSA-N 404.245 4.249 30 40 HIEB CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 408907033 GAIUVQBRQHECOS-NMSSZPRHSA-N 410.495 4.171 30 40 HIEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC)c([N+](=O)[O-])c2)C2=C1CCCC2=O 409032809 JLIHHNCRXLYXOD-UHFFFAOYSA-N 410.470 4.427 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(Cl)c1 655821 JMAQIXQRKYAVBR-LJQANCHMSA-N 409.869 4.480 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2sc3c(c2c1=O)CCC3 784802 IGMSRWGGYHQAND-UHFFFAOYSA-N 415.515 4.003 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)cc1OC 803833 WOZBKDPAIVLXFR-UHFFFAOYSA-N 411.527 4.360 30 40 HIEB C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccccc1OC 2616334 CRCQBYIYDYCHLE-UHFFFAOYSA-N 401.438 4.393 30 40 HIEB CCSc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C1=C(CC(C)(C)CC1=O)N2 4436383 RXSFCVHHBAPICT-SFHVURJKSA-N 414.531 4.065 30 40 HIEB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CO/N=C/c2ccccc2)cc1 5348695 IXZVLCDYGOFXFS-MSIOFZDNSA-N 413.477 4.424 30 40 HIEB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 9042052 GHAQMWDXMMDIPG-ZDUSSCGKSA-N 424.913 4.390 30 40 HIEB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc(C#Cc2ccccn2)c1 24790588 FRZYCBWFNCICMW-UHFFFAOYSA-N 419.484 4.393 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1 36627651 GXLAANVODDHDLN-INIZCTEOSA-N 424.526 4.417 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102861953 LMXMEZMBNVWMQZ-NLWPQFNZSA-N 403.887 4.002 30 40 HIEB COC(=O)Cn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409103420 YHGAPIHATHREKT-NUGSKGIGSA-N 420.347 4.187 30 40 HIEB Cc1cc(C)n(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C#N 409412380 VSAQHQTXUISHGT-UHFFFAOYSA-N 415.537 4.443 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(c1ccc(O)cc1)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 1436904 RJRXBLCTYDBNFS-GOSISDBHSA-N 406.438 4.464 30 40 HIEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(Br)c1)CCCC3 3140763 CGJXZKKWTJEDPF-KEBDBYFISA-N 402.317 4.290 30 40 HIEB C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 16041461 HCKWLIFVKPDIEV-FGJSELGCSA-N 402.494 4.332 30 40 HIEB biogenic CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)cc1 20762615 GGGSMARGNLDEHF-WPWMEQJKSA-N 419.525 4.332 30 40 HIEB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 22781314 QSZFWEFCOAYFHS-AREMUKBSSA-N 424.548 4.364 30 40 HIEB CCCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 101462235 MOTBPASMSDKMEP-UHFFFAOYSA-N 423.561 4.107 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2cccs2)no1 102804276 WXIQSQGZKMOHDF-IBOXJLQUSA-N 400.843 4.324 30 40 HIEB C[C@H]1CCCCN1c1nc(=Nc2ccccc2F)nc(N/N=C/c2ccc(F)cc2)[nH]1 408976087 PHVOEQOHTBISKZ-CAUYNWHBSA-N 423.471 4.140 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1OC 604404054 APCNOKYVAINSHG-UWOKGBPVSA-N 418.401 4.354 30 40 HIEB biogenic Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=S)Nc1ccc(F)cc1 3330232 SWXRBPVGQRSUMH-BUVRLJJBSA-N 422.533 4.241 30 40 HIEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027280 OEOMMWMJRTXXIW-CUBKFYFCSA-N 419.565 4.354 30 40 HIEB biogenic Cc1ccccc1/N=C1\NC(=S)N(CC(=O)c2ccccc2)[C@]12CCOC(C)(C)C2 5752916 AFBNTDPCVULNTA-DEOSSOPVSA-N 421.566 4.426 30 40 HIEB CCCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CCCC)cc1 16740978 LWSCKVFGPLDOBU-NJOYMBDGSA-N 422.616 4.211 30 40 HIEB N#CCCN(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 101028248 DWUKYQQUPLXGGK-WZGNDQMWSA-N 400.906 4.054 30 40 HIEB COc1ccc(CCN2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@H]2c2ccccc2)cc1 102222761 GUDSSFQTRXCHAT-HSZRJFAPSA-N 424.504 4.068 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 108155844 AYUWBYOVTNSKMM-HOYKHHGWSA-N 403.530 4.073 30 40 HIEB C=CCN(Cc1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224467922 HEIBKEYGOKSZIE-UHFFFAOYSA-N 412.555 4.126 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1 408582157 BQOUYWDNKNHOQV-ZHZULCJRSA-N 420.421 4.037 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 626379 GABKXHQVSHHAAE-LJQANCHMSA-N 417.889 4.236 30 40 HIEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2C)cc1 1012335 QWFDHKLGSTWZLX-PMDYYOJLSA-N 402.859 4.066 30 40 HIEB N#CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 2664011 PFEWXGRNMDFUSB-UHFFFAOYSA-N 421.457 4.396 30 40 HIEB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 5112068 LOIFVLSMBWAXLA-ZMOGYAJESA-N 412.478 4.363 30 40 HIEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3ccccc3Cl)o2)[nH]c(=O)c1C#N 6160485 DSRYFGHHTSYRCL-SOFGYWHQSA-N 411.801 4.385 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6485995 LZFJYKUCTFOCKI-HXUWFJFHSA-N 404.919 4.183 30 40 HIEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCc1ccco1 10343855 IYSIEWGBXVODNQ-IBGZPJMESA-N 407.514 4.250 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2cccc(F)c2F)cc1 12321593 WYTHGOMKZLPFOR-MPBGBICISA-N 424.407 4.336 30 40 HIEB O[C@]1(c2ccc(OC(F)F)cc2)CS/C(=N/c2cccnc2)N1Cc1ccco1 18246043 LBDHNFPYMBLBSB-UNJZAIIMSA-N 417.437 4.358 30 40 HIEB COc1ccc(NC(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35291935 YEQXCGBEPPVDQD-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCOCC1 39404150 ASRAEVSTFPDLLS-UHFFFAOYSA-N 401.422 4.375 30 40 HIEB C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC)cc2)ccc1OC 95481210 NQNUPVVFRQYPJU-SFHVURJKSA-N 403.438 4.025 30 40 HIEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218234961 VRJNPZILLQFPQT-HOTGVXAUSA-N 421.703 4.076 30 40 HIEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 5800782 DHFNDIPWOJLNNI-YDJIHCHBSA-N 412.917 4.022 30 40 HIEB N#CC1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CCCCC1 7790763 FNMYIEVTWILUDQ-UHFFFAOYSA-N 420.542 4.196 30 40 HIEB N#Cc1ccsc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 9714968 MSEMCANBRMSIGD-UHFFFAOYSA-N 417.899 4.326 30 40 HIEB COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 13684100 DFDRDTKEXWKCQD-LJQANCHMSA-N 424.453 4.069 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(Cl)c2)cc1 18219424 SGRHVPCUQMXMHC-YCRPNKLZSA-N 406.873 4.356 30 40 HIEB COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)c1 19536026 VZYFCBBWEMSOEI-HSZRJFAPSA-N 403.478 4.407 30 40 HIEB COc1ccc(CN/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC 20195917 AZMRFCYKYQWBBX-YDZHTSKRSA-N 411.414 4.004 30 40 HIEB COc1ccccc1N1CCN(C[C@H](S)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 26781474 RLRPQSHQFUGEOP-AABGKKOBSA-N 406.636 4.347 30 40 HIEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 32823461 MNCJSBIFPCOREK-FQEVSTJZSA-N 407.420 4.247 30 40 HIEB C=CCc1ccc(OCC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c(OC)c1 40134794 WOKGLGMQVCYIKI-VWLOTQADSA-N 402.494 4.446 30 40 HIEB CCc1ccc(-c2cs/c(=N/C)n2/N=C/c2ccc(N3CCOCC3)cc2)cc1 103371728 OJUFIXDAZMHLIZ-QNSIDEIMSA-N 406.555 4.028 30 40 HIEB N#Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 408918133 GMZBWJUCAUJRSS-ZKKFKWFVSA-N 410.860 4.305 30 40 HIEB COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 1087476 MSTZTORQVACHGQ-GVAUOCQISA-N 423.509 4.103 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 5446203 RPXLYXKELRGIKK-UYAOXDASSA-N 411.885 4.406 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccncc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2 6188319 UJUAAOTZEIVVOF-GOSISDBHSA-N 416.506 4.022 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCOC)cc1 6732796 ZYVGWYXDVVCLQX-QFIPXVFZSA-N 419.477 4.166 30 40 HIEB C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 7601885 BULYSCMVXLPZSS-UHFFFAOYSA-N 417.872 4.241 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@@H]3c2ccc(OC)cc2)cc1 12407374 XFKLBKDCJYFOQF-QVKFZJNVSA-N 418.453 4.066 30 40 HIEB N#Cc1ccccc1-c1ccc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)o1 38196334 PRDQQZJLMNUSFV-ROTLSHHCSA-N 400.463 4.351 30 40 HIEB O=C(COc1cccc(Br)c1)/N=C1\N=C2C=CC=CN2Cc2ccccc21 102941741 XOOJBABXISZPLO-FLFQWRMESA-N 422.282 4.099 30 40 HIEB C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(Br)c1 224875521 KMYLZSJXLPVNRG-UHFFFAOYSA-N 410.333 4.401 30 40 HIEB O=C(CO/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 409377983 MGULTQRDKWQHAP-UCQKPKSFSA-N 405.410 4.163 30 40 HIEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)C1 4275175 INHZWIMHBAWUMK-UHFFFAOYSA-N 401.491 4.444 30 40 HIEB C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 9462504 SRBIBBFVBRILDK-LJQANCHMSA-N 422.462 4.392 30 40 HIEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 9712822 XGSBJPQZIXARNG-UHFFFAOYSA-N 424.913 4.455 30 40 HIEB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)c1 13424115 KYYFEHBFBWWQJR-GOTYSUTNSA-N 415.490 4.205 30 40 HIEB COc1cc(/C=C2/S/C(=N/c3ccc(Br)cc3)NC2=O)ccc1O 13546804 LCEXSOWITPBJIU-OQLLNIDSSA-N 405.273 4.055 30 40 HIEB C=C(C)Cn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccncc1 16807850 HPHUKMKOSAAQBV-UHFFFAOYSA-N 409.515 4.046 30 40 HIEB COc1ccc(/C=N\OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1OCc1ccccc1 35540004 OSIAUXOIMZDKIN-OVFJRLGUSA-N 410.514 4.414 30 40 HIEB Cc1c2c(cc3c1O/C(=C\c1ccc(F)cc1)C3=O)CN(Cc1cccnc1)CO2 95916631 GPUMSJOYBZYTDU-NKVSQWTQSA-N 402.425 4.497 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(C(C)C)cc2)cc1 102501608 IOBIYPPHRAXIKM-MOBKVPTQSA-N 421.493 4.405 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)c1 102723194 NZBALOZENFAYOM-LFVOPCPISA-N 424.840 4.271 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S 408903673 WAAAKZAZCKIWRN-XFXZXTDPSA-N 407.278 4.066 30 40 HIEB CC[C@@H](C)Oc1c(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409073528 ZQSICHDDJDSOMM-JZOCJUILSA-N 423.267 4.384 30 40 HIEB C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OC)c1OCc1ccc(C)cc1 409075807 YEOQLBFMWLXAQK-UHFFFAOYSA-N 410.466 4.041 30 40 HIEB Fc1cc(/C=N\c2cccc(I)c2)ccc1N1CCOCC1 409132904 KWMZCJKSRAPFAQ-NDENLUEZSA-N 410.230 4.018 30 40 HIEB O=S(=O)(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 657748 LENAKZUOKGUZAG-HYARGMPZSA-N 400.887 4.231 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(C(C)=O)cc1 996762 HNVPSYMUOGESIZ-COPMAWBXSA-N 407.495 4.036 30 40 HIEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1252170 PKNXQUSZSQQXOY-HRBBJJPOSA-N 407.853 4.340 30 40 HIEB C=CCn1c(SCc2nc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 9336987 PSZCMUUCHASPIH-GOSISDBHSA-N 406.467 4.410 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccccc2C)c(OC)c1 13127048 MBXMRLIGVHEUNK-CMJOXMDJSA-N 416.481 4.019 30 40 HIEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O[C@@H](C)C(=O)O)cc1 13361775 YJKNVGADFDILFT-LHXVZLOVSA-N 405.244 4.206 30 40 HIEB COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1Br 19882194 OHNGBZZTEFSPSV-LPYMAVHISA-N 422.754 4.263 30 40 HIEB COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc([N+](=O)[O-])c1O 59224243 VVLGDSFEMRQUEB-CHHVJCJISA-N 419.846 4.162 30 40 HIEB COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccnc2)C3)C1=O 62001281 SOGVVGLKOCARDX-JJFYIABZSA-N 414.461 4.367 30 40 HIEB biogenic Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(I)o3)S2)cc1 408764175 QHRINXZKMGLQOF-WQLSENKSSA-N 410.236 4.084 30 40 HIEB CCCCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccc(C)cc1 408913688 RHDHTOYDQBIUEG-SQJAOTTLSA-N 423.538 4.263 30 40 HIEB CCOc1ccc2nc(NCCCN=[S@](=O)(O)c3ccc(C)cc3)c(C#N)cc2c1 409415987 JWBRAJMUFPCRAR-UHFFFAOYSA-N 424.526 4.616 30 40 HIEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC 676877 QLHDHCFVMKTWSB-FQEVSTJZSA-N 413.514 4.261 30 40 HIEB biogenic C=CCOc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OCC 2081014 PVIUZNPSXJLTPS-GZTJUZNOSA-N 408.410 4.211 30 40 HIEB O=C(Oc1ccc(/C=N/c2ccccc2O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3168855 VIYQTAYCCLEHIB-CIAFOILYSA-N 407.338 4.178 30 40 HIEB CCc1ccc(NC(=O)C[C@H]2S/C(=N\N=C(/C)C3CCCCC3)NC2=O)cc1 6995663 FSQXXBMEMRKDKW-SDCZFJSOSA-N 400.548 4.121 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@@H]2c1cccnc1 9348565 QOGZUGWXCYPMBO-LJQANCHMSA-N 423.476 4.354 30 40 HIEB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1sccc1C#N 11444458 RQHBHMQWDGMMEW-UHFFFAOYSA-N 419.821 4.171 30 40 HIEB C=CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22257132 DMUAXJXBLHNCST-UHFFFAOYSA-N 403.529 4.298 30 40 HIEB C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc(CC)cc2)c1=O 28537617 NZFYYLCZJWJPKT-UHFFFAOYSA-N 408.527 4.431 30 40 HIEB Cc1cc(C#N)ccc1Oc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 60349579 ZZDCHEKBUPIAHG-UHFFFAOYSA-N 406.751 4.272 30 40 HIEB CCn1c(=O)c(/C(C)=N/C2=C(C)N(C)[C@H](c3ccccc3)C2=O)c(O)c2ccccc21 101629458 LBFJXSXFWMBDJT-QVGKIPNLSA-N 415.493 4.023 30 40 HIEB O=C1C=C(NNc2ccc(Cc3ccc(NNC4=CC(=O)CCC4)cc3)cc2)CCC1 103582044 UCZJWWYNTSUTPB-UHFFFAOYSA-N 416.525 4.384 30 40 HIEB in-vitro COc1ccccc1[C@@H]1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCc1ccccc1 103933890 TWISTNAYROQKOD-UGUGFTGJSA-N 413.473 4.360 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1O 408763124 NONBBBBQWPOXDY-DHDCSXOGSA-N 405.273 4.055 30 40 HIEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408842536 AQDCBPXJKWHGGC-SSDVNMTOSA-N 410.572 4.231 30 40 HIEB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](C)C3)cc1 4944110 RMYOMFWUNSQUID-NPMXOYFQSA-N 417.509 4.251 30 40 HIEB Cc1ccc([S@](=O)ONc2cccc(NO[S@@](=O)c3ccc(C)cc3)c2)cc1 4964166 MTPOWXWBQQEOKL-NSOVKSMOSA-N 416.524 4.436 30 40 HIEB C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)cc1 8867758 VVRRZTFMZVBEEG-JOCHJYFZSA-N 419.477 4.330 30 40 HIEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(-c2ccccc2F)o1 9550389 JQFCFMYZTXVRKO-UHFFFAOYSA-N 414.414 4.135 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c1OC 13687559 CBXDKOVTHIWPEB-NHDPSOOVSA-N 419.433 4.265 30 40 HIEB CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OC/C(O)=N/c3ncn[nH]3)cc1O2 13731871 MJRQHLDMLROSDA-UHFFFAOYSA-N 412.490 4.412 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1OC 14133292 NTLKZDIAOKJVCQ-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1 16732443 QFOYKUIBJIQMIW-UNMCSNQZSA-N 419.477 4.009 30 40 HIEB CCCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CCCC)cc1 16740977 LWSCKVFGPLDOBU-QSDHIIRHSA-N 422.616 4.211 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196290 AOQIILXAEICVTE-XYZCENFISA-N 418.309 4.457 30 40 HIEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)s1 33899652 ALMXJMVKDMJWNK-OFDIPOHZSA-N 403.529 4.314 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 96609759 UFQPFUUVYXYCTG-OEEVFVCYSA-N 409.511 4.163 30 40 HIEB COc1ccccc1[C@H]1/C(=C(\O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 102874741 TXTJODRPFTZDKC-MRJHHRETSA-N 403.434 4.219 30 40 HIEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102875930 JBSITHXZPKMWGY-NHFXJNLRSA-N 421.884 4.049 30 40 HIEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224866185 WDKRJWTTWOVUOX-UHFFFAOYSA-N 416.724 4.492 30 40 HIEB COc1ccccc1N1CCN(C[C@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 247882436 RLRPQSHQFUGEOP-ZCNNSNEGSA-N 406.636 4.347 30 40 HIEB COc1cccc(/C=C2/SC(=Nc3cccc(Br)c3)NC2=O)c1O 408741712 NJYVEUHJQANCPT-RIYZIHGNSA-N 405.273 4.055 30 40 HIEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCc1cccc(F)c1 408863909 RAXWPKIKKCRFRQ-WSDLNYQXSA-N 400.479 4.128 30 40 HIEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(OCC)cc1 2742959 NYGJROJUFSPTOP-UHFFFAOYSA-N 424.526 4.173 30 40 HIEB CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 4331389 KWNYIZSMXZYAJE-MRXNPFEDSA-N 409.559 4.047 30 40 HIEB C=CCNS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 4437067 SWOYQDHQVQHZOF-UHFFFAOYSA-N 406.916 4.271 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1ccc(F)cc1 9305277 LOPMPGDCYUGKOB-FBHDLOMBSA-N 404.349 4.390 30 40 HIEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)O[C@H](C)C4)o3)o2)cc1 12418944 AAZLLCBBLFGUQG-GASCZTMLSA-N 409.442 4.007 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 13714878 PSZHKWROVHVRFI-IBGZPJMESA-N 422.934 4.088 30 40 HIEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O 16755598 YJFOBZNMPQLWQW-UHFFFAOYSA-N 415.496 4.144 30 40 HIEB N#C[C@H](c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 32765211 SNXTWYBXTJIJAP-LJQANCHMSA-N 410.474 4.162 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)no1 102702360 ZJLBPLBXQIQIKF-GHNGSUTGSA-N 412.804 4.402 30 40 HIEB O=C(COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(F)cc1 408589679 FKFBVAAVBAMREM-ZMOGYAJESA-N 423.400 4.302 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=S)N2C)cc1OC 409039848 WYPAXNDALJCPLJ-RGEXLXHISA-N 424.522 4.263 30 40 HIEB CCOc1cc(N(C)C)ccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409408599 YSPHYVGVQGVCIH-UHFFFAOYSA-N 412.493 4.410 30 40 HIEB CCCC(=O)[C@H]1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 812546 SDBVXRYSOMHOFK-UWJYYQICSA-N 417.552 4.245 30 40 HIEB C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 2113619 CGPAWSQWLCQJTQ-OAQYLSRUSA-N 420.494 4.269 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(C)cc1 2453470 VIBCDZLMFQMJGC-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C(=O)OC)cc1 8363736 MXEJKMSWFCVSGK-MSYUKONTSA-N 411.439 4.005 30 40 HIEB NC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2cccc(Cl)c2)S1 9763347 HQMNCDJVVYRIBV-LTUQMTLXSA-N 422.337 4.043 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(OC)cc1 14133290 TUUOKZBFIPMAFE-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB COc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC 19682455 IYDBMPBYOUDBSS-IMRQLAEWSA-N 413.521 4.425 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2nccs2)CC1 26721661 MEOMFCSBPYKOFA-UHFFFAOYSA-N 406.536 4.128 30 40 HIEB C[C@H](Oc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1)C(=O)O 59302769 RVQPOCHVYTWUGK-OKHBPPCESA-N 402.859 4.084 30 40 HIEB COc1cc(C2=NOC(=O)/C2=C\c2ccc(Cl)cc2Cl)cc(OC)c1OC 100814650 TYZKDFFAZOTJHK-MLPAPPSSSA-N 408.237 4.364 30 40 HIEB biogenic,in-vitro C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 101247309 DWISLYNNRPDGGK-HVESIFNPSA-N 416.246 4.196 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 104198267 YDCWPCVSJXEITH-NHFXJNLRSA-N 412.917 4.022 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(O)cc3O)S2)cc1 408754482 KMDXKSKTFWFTLP-PXNMLYILSA-N 419.300 4.314 30 40 HIEB CN1C(=O)/C(=C/c2ccc(Cl)s2)S/C1=N/c1ccc(N2CCOCC2)cc1 408930310 VEJKULPQXGZTGQ-ROLOMRMFSA-N 419.959 4.472 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)O)c1 409067176 JTAYTHNVSMLUOZ-CZZIWQEQSA-N 411.439 4.225 30 40 HIEB COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OC 953917 AREDPUUMQZEFFF-CFNZNRNTSA-N 412.511 4.422 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1occc1C 2636845 PQBRGLBURLKIQH-SFHVURJKSA-N 408.527 4.318 30 40 HIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](C)CC2=O)N1 4386941 PCROMNAQUTYGCC-NPMXOYFQSA-N 416.525 4.000 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 4993253 FBTLTDQTERBAEW-QHCPKHFHSA-N 418.493 4.310 30 40 HIEB C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 8990568 XVAFXYFJCVMTQN-KHHGAOOBSA-N 420.490 4.226 30 40 HIEB COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)cc1 12192138 PLXYNRAXHIJMSD-CNPYVQQSSA-N 421.494 4.174 30 40 HIEB COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3CN3CCCC3)C1=O)cn2C 20625014 VVQYMHVIDRLHTN-SSDVNMTOSA-N 404.466 4.105 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)c(OC)c1 20633406 AMQWTVIIDJGPMU-QFIPXVFZSA-N 419.481 4.462 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3ccc(OC)cc3)cc2-c2ccccc2S1(=O)=O 33271896 FZRFRRSPHPXOHO-UHFFFAOYSA-N 420.490 4.309 30 40 HIEB COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 54151494 XBDQMHPHQAARSZ-VAWYXSNFSA-N 400.482 4.047 30 40 HIEB CN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(C(=O)O)cc1 97464865 ZJQNYLWRUNRCGB-DOOOOMTHSA-N 417.284 4.381 30 40 HIEB COc1cccc(OCc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)c1 223692907 QOYVITJANCCSFD-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 626375 GABKXHQVSHHAAE-IBGZPJMESA-N 417.889 4.236 30 40 HIEB Cc1cc(C=C2C(=O)CCCC2=O)c(C)n1-c1ccc(I)cc1 3175819 NYCGRMXZQJSHRR-UHFFFAOYSA-N 419.262 4.404 30 40 HIEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2cccc(C(F)(F)F)c2)c1=O 3251976 YBQSKSGINFPGMO-UHFFFAOYSA-N 418.758 4.318 30 40 HIEB O=c1c2ccccc2nc2c3ccccc3c(N/N=C/c3c[nH]c4ccccc34)nn12 4183670 JCKTTWIFPBDEOA-VULFUBBASA-N 404.433 4.323 30 40 HIEB COc1ccc(C(=O)NC(=S)[C@H]2CC/C(=C\c3ccc(F)cc3F)C2=O)cc1 5446713 NSIWAGUYPRRWJV-SHRNQRGKSA-N 401.434 4.093 30 40 HIEB COc1cccc2cc(-c3csc(N/N=C/c4ccc(N(C)C)cc4)n3)c(=O)oc12 8974302 GEYAMZXDKBUQBK-FSJBWODESA-N 420.494 4.437 30 40 HIEB N#C/C(=N\Nc1ccc(Cl)cc1)C1=NC(=O)/C(=N/Nc2ccc(Cl)cc2)S1 16427918 WDPPOUROEMUMQK-MNXXMNJASA-N 417.281 4.382 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(C)c21 32092182 XTPGFLXFTVTEIG-RUZDIDTESA-N 410.477 4.055 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc2sccc2c1=O 32946294 RTAOFUQQGRIVKF-CQSZACIVSA-N 403.573 4.131 30 40 HIEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 40121811 NTEXEMNOIHWQCH-LBPRGKRZSA-N 413.952 4.091 30 40 HIEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(O)cc1 100819803 CZUXWLKNPRYACQ-OLRQPGBRSA-N 415.902 4.192 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102501359 NTSHDPRDRHVPPD-MRJHHRETSA-N 403.434 4.219 30 40 HIEB CC(=O)/C(=C/NC(=S)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C 104302364 FIZXZIYYINTYGS-WJDWOHSUSA-N 421.444 4.412 30 40 HIEB COc1cc(Br)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1OC 409107472 VXNLGILEYNELHN-QPSGOUHRSA-N 404.186 4.326 30 40 HIEB Cc1sc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C#N)c1C 1221473 DSZOFUGVUJVUSZ-UHFFFAOYSA-N 407.524 4.472 30 40 HIEB NC(=O)C(NN=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1 1723215 JPMLLAFIQXBDEE-UHFFFAOYSA-N 403.485 4.438 30 40 HIEB CCOc1ccc(OCc2ccc(/C=N/n3c(SC)nnc3C(F)F)o2)cc1 2790911 YBUWMKVGXNONNE-UFFVCSGVSA-N 408.430 4.391 30 40 HIEB Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2791715 BTARLAKDFYPBMA-ZDUSSCGKSA-N 415.519 4.213 30 40 HIEB COc1cc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc(OC)c1 4849160 XBPSDGGYRCQGEL-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl 5238235 KUJIAHBSSHFOMP-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1 5345157 WXHJZDMQXVSSRP-YCYNJWQJSA-N 407.499 4.023 30 40 HIEB COCC/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1cccs1 5787505 YMWYRADZNNWXDH-PDNCBJBZSA-N 417.556 4.115 30 40 HIEB N#CCCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 6612141 ONUAWIYDSGVOFK-UHFFFAOYSA-N 412.445 4.414 30 40 HIEB Brc1ccc(OCCn2cc(/C=N/c3nc[nH]n3)c3ccccc32)cc1 6616437 LIPJNVJQZQMAKG-SRZZPIQSSA-N 410.275 4.352 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(/NC(=S)Nc2ccccc2)c2ccccc2)cc1 13482078 KGQQJVZZQBFORJ-UHFFFAOYSA-N 409.536 4.117 30 40 HIEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc(OC)c1OC 18196816 IUQXAYANGKCLRJ-NRFANRHFSA-N 409.438 4.006 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@H]2C[C@@H]2C)C1 19462712 GUMQQLRTLGSDKF-DOPYIHRPSA-N 420.528 4.212 30 40 HIEB C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2sc(C)c(C)c2c1=O 48324433 BFIPSTUPERMRDL-AWEZNQCLSA-N 424.555 4.090 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 102886181 PORKRXRUIDERGA-YDJIHCHBSA-N 422.412 4.147 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)n1-c1ccc(Cl)cc1 408589578 LZALUDDCCJQAMU-KJECIWMJSA-N 419.912 4.135 30 40 HIEB Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1NC(=O)c1ccccc1 409212103 QDAQUCYTURLJRX-ZHZULCJRSA-N 416.506 4.380 30 40 HIEB CC(C)N/C(O)=N/S(=O)(=O)c1cnccc1Sc1cc(Cl)cc(Cl)c1 987796 KCFWEGFICYIDCE-UHFFFAOYSA-N 420.343 4.140 30 40 HIEB C=C(C)COc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2399590 GGZURGHIZXJFCS-SDQWYYNMSA-N 404.510 4.287 30 40 HIEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n1 7830477 NNEAJEHSCANEMB-CQSZACIVSA-N 413.503 4.153 30 40 HIEB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8325529 GDLSVYHQWXVJGC-GFCCVEGCSA-N 416.576 4.110 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1 12533562 GFIVMQTTZIHLJS-UHFFFAOYSA-N 414.534 4.062 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 13671133 BAJPDNSMZVFCIA-QGZVFWFLSA-N 414.571 4.427 30 40 HIEB CC1(C)Cc2c(C#N)c(SCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1 13773627 BOAOUYRFIYKDHW-UHFFFAOYSA-N 413.518 4.073 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c([nH]c3ccccc32)c1=O 16890308 JDVNCZPLKVNRQZ-UHFFFAOYSA-N 424.913 4.448 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1)S(C)(=O)=O 22512580 ZTDLILFDIWZZNJ-NRFANRHFSA-N 400.544 4.156 30 40 HIEB CC(C)(C)OC(=O)/N=C(/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1cccn1 34517862 JFMAUIHMNZPNMU-FYJGNVAPSA-N 410.471 4.195 30 40 HIEB COc1cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc(Cl)c1O 59533885 OTWAKDXFCBZTAD-MFOYZWKCSA-N 402.903 4.431 30 40 HIEB COCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=Nc1ccccc1 408548076 CYHMTRQIOAVAQZ-HNNYNVTISA-N 412.511 4.263 30 40 HIEB O=[N+]([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 408729925 KYNFJVYCWURTOM-HZHRSRAPSA-N 421.478 4.092 30 40 HIEB COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C#N 409350663 YISAUNQNHWQFIJ-LZYBPNLTSA-N 416.911 4.288 30 40 HIEB C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1ccc(F)cc1 4814645 OEUWBVJFLWBEDM-UHFFFAOYSA-N 413.474 4.166 30 40 HIEB CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 6783468 OLLAJVGPNJFVBV-NRFANRHFSA-N 418.449 4.242 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@H]1c1cccs1 7991012 WRZFIGASLPIXLQ-HNNXBMFYSA-N 417.556 4.284 30 40 HIEB CC1(C)C[C@H]2C[C@](C)(CN2C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@H]4C[C@H]23)C1 12658953 NBZXMBPRBWXSSQ-AVBLFOHTSA-N 401.591 4.414 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1C 13569250 LTKYUUSASJBMKB-OAQYLSRUSA-N 418.449 4.391 30 40 HIEB C/C(=N/NC(=S)Nc1ccc(C)cc1)c1cc(Br)c([N+](=O)[O-])s1 72433962 UHEYBQJELSQRCZ-MFOYZWKCSA-N 413.322 4.438 30 40 HIEB C#CCOc1c(Br)cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC 96581714 WDWPSSFAMRTXCN-UHFFFAOYSA-N 419.300 4.052 30 40 HIEB COc1ccc(-c2csc(N3N=C(C)/C(=N/Nc4ccccc4OC)C3=O)n2)cc1 100005463 CABYKCDZLOYSLE-CLCOLTQESA-N 421.482 4.018 30 40 HIEB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 100129393 YJJUWHCQQJXVDG-UYAOXDASSA-N 402.494 4.285 30 40 HIEB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3cc4c(cc3cc2C#N)OCO4)cc1 1360930 QIZLTZLIXWGKED-CYBMUJFWSA-N 419.462 4.157 30 40 HIEB C=CCSc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CCCC3=O)s1 2493533 RUVDYSGLUFRAPQ-LBPRGKRZSA-N 403.554 4.405 30 40 HIEB C=CCn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(=O)O 2578054 YBMFSLVLUCWNSP-UHFFFAOYSA-N 410.524 4.444 30 40 HIEB C=CCNC(=S)N/N=C/c1ccc(OCCSc2ccc(C)cc2)c(OC)c1 4549037 NRJWOKWMUBSSBX-HZHRSRAPSA-N 415.584 4.159 30 40 HIEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1F 4681870 NCYGSYMMTNQAIH-BJUXRVGASA-N 401.438 4.111 30 40 HIEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccco1 4921466 CEFFPPKYDGVONT-SSDVNMTOSA-N 414.801 4.305 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 5625609 RSFYKLYMOGJHHY-QFIPXVFZSA-N 415.445 4.487 30 40 HIEB biogenic COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F 6238867 VOCFVRBLZNVIPP-SFHVURJKSA-N 403.837 4.094 30 40 HIEB COCc1cc(C)nc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C#N 10231436 MJSCJIHIIBEYAU-UHFFFAOYSA-N 409.511 4.443 30 40 HIEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC[C@H]3C)C2=O)c(OC)c1 13653587 CGJFEVFJSCQNMC-SRMCNWIXSA-N 409.482 4.400 30 40 HIEB biogenic CCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](C)CC1=O)N2 22608552 QXCMKDXLEIKKNW-HWPZZCPQSA-N 419.348 4.421 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC 40157300 RLROHTDPEIZXAZ-PSNUSJGWSA-N 421.493 4.312 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N(C4CCCCCC4)CC3=O)n2)cc1OC 96318492 PXHRTTXEEORQMZ-UHFFFAOYSA-N 413.543 4.062 30 40 HIEB O=C(O)c1cccc(Cn2cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)c1 408908795 DEUFYKCEWZFGNY-MYKKPKGFSA-N 415.409 4.137 30 40 HIEB C#CCCC1(CCC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)N=N1 1615612201 CUOAEBZOOHGVAM-HXUWFJFHSA-N 403.461 4.389 30 40 HIEB C=C(C)Cn1c(SCCC)nc2ccc(I)cc2c1=O 2222910 UGNNMXWMISKORX-UHFFFAOYSA-N 400.285 4.079 30 40 HIEB CCCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 2252951 XAAYLUHAZQUDFM-JVWAILMASA-N 414.513 4.359 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1 5994032 OHMNJVMIXPOUBJ-UHFFFAOYSA-N 414.889 4.134 30 40 HIEB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 7706480 WIUDVFWJODCZIP-MRXNPFEDSA-N 405.429 4.289 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)n1nc(-c3cccc(Cl)c3)nc1N2 9731745 NSXSUHFHFHKDQD-FQEVSTJZSA-N 420.856 4.349 30 40 HIEB C/N=C1/S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1C 12436974 PBOOAKJUAFXNJF-XQGMVTDFSA-N 410.568 4.438 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2sccc2c1=O 12820733 ALVXEWKDYZKLKK-KGLIPLIRSA-N 411.552 4.102 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C[C@H]12 12885031 LWCXKNMSQYVAHH-FYEJASGKSA-N 400.607 4.251 30 40 HIEB biogenic COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)c1 13570460 HSNGYUXQCGISBC-LJQANCHMSA-N 424.840 4.428 30 40 HIEB CCOC(=O)c1c(-c2ccc(C)o2)csc1/N=C(\O)CN1CCC(C(=N)O)CC1 82055759 UDNJLAGKIFBEDG-UHFFFAOYSA-N 419.503 4.328 30 40 HIEB FC(F)C(F)(F)COC(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F 103542473 SAPGBQYOZVQCDK-UHFFFAOYSA-N 406.163 4.021 30 40 HIEB C=CCOc1ccc(/C=C(\Sc2n[nH]c(CCC)n2)C(=O)O)cc1Br 408633109 VXTMIWMZIZIEAX-UVTDQMKNSA-N 424.320 4.302 30 40 HIEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 409332774 RSNNIVOWACJZKJ-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 409404820 MIIHNBOVSZRIBL-UHFFFAOYSA-N 420.812 4.213 30 40 HIEB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OC)c(C)c3)C(=O)N2C)cc1 1012446 VOTVNHHVHSHUDN-ZQRXGZGKSA-N 410.495 4.414 30 40 HIEB O=C1/C(=C\c2ccccc2)CN(C(=O)CCN2CCCCC2)C/C1=C\c1ccccc1 1624182 FQEUNMBWPCOHCF-ZFQRDYFNSA-N 414.549 4.441 30 40 HIEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/N=c1/sc2ccccc2n1C 3284715 YWVIVGWQSWILNU-HWFUBKEOSA-N 416.554 4.269 30 40 HIEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(SC)cc3)c2C#N)C1 4517649 RURUYBCKACLGHX-UHFFFAOYSA-N 401.513 4.109 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 5444586 RLFXEELXLYYRCX-UNMCSNQZSA-N 421.493 4.151 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2ccccc2c1=O 8282384 JQRLUYHMPWFKRF-HZPDHXFCSA-N 405.523 4.041 30 40 HIEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 8740654 UBSLGCYYWIJPDI-HXUWFJFHSA-N 422.412 4.304 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(Cl)cc1 9304102 VHDXNNDWXHGLKB-SNVBAGLBSA-N 420.951 4.064 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)n[nH]c1=S 26095653 RHUSQKJOBJJHKB-UHFFFAOYSA-N 414.491 4.047 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1F 26532862 PULKZMIRYMFDPS-IBGZPJMESA-N 408.454 4.369 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2c1 35292199 MTFYDBKFSREYKT-UHFFFAOYSA-N 405.479 4.439 30 40 HIEB N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(Cc2ccccc2)CC1 54061542 RBKZYTXTMPMNKQ-UHFFFAOYSA-N 408.889 4.101 30 40 HIEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1cccc(C(=O)O)c1 409062001 LKIGCGVDWPPCLJ-KNRZEBMXSA-N 410.451 4.046 30 40 HIEB COc1ccc(-c2cc(N3CCN(c4ccc(Cl)cc4)CC3)c(C#N)c(=O)o2)cc1 1617036 ZYDZUNWXNWKUMC-UHFFFAOYSA-N 421.884 4.167 30 40 HIEB Cc1ccccc1/C=N/n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2370565 JVSYLKHVSNGLBY-VULFUBBASA-N 412.497 4.030 30 40 HIEB CCOc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc(Br)c1OC(C)C 6464423 SAXUHXRHUYJRBF-DHDCSXOGSA-N 420.307 4.150 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)n1nc(C(F)(F)F)nc1N2 13816153 FJVULXVBRSXSRX-PIGZYNQJSA-N 416.359 4.011 30 40 HIEB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cc1 15738957 IZEJWKBBWKDHKI-UHFFFAOYSA-N 421.478 4.010 30 40 HIEB CC(=O)Nc1ccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 17011399 MDURGJVISKCPIM-IBGZPJMESA-N 416.477 4.143 30 40 HIEB O/C(CN1CCC[C@@H](COc2ccccc2F)C1)=N\c1nnc(C2CCC2)s1 19658363 ZHJNQOIVQVXNNM-CQSZACIVSA-N 404.511 4.324 30 40 HIEB COc1ccccc1[C@H]1Nc2nonc2NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 40266950 SCPWKMKQYHDSRG-RNODOKPDSA-N 406.417 4.197 30 40 HIEB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1 100435383 PRSSAPAOLWFULI-ADTGEPROSA-N 402.450 4.486 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(OC(C)C)cc2)no1 102374342 XSYNMKSGEUWJLU-WOOAAIBNSA-N 424.478 4.458 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408726265 AVXJIVWDAQCWBO-YYSZAQQKSA-N 401.249 4.394 30 40 HIEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(Br)cc1O 409097400 MFONIOKZPPCTMA-QPSGOUHRSA-N 404.186 4.413 30 40 HIEB CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409408839 ZNYITQGTUQLRLN-UHFFFAOYSA-N 414.421 4.253 30 40 HIEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c2ccccc2n1 2621914 DCMLVBLQTHKDMZ-ZDUSSCGKSA-N 419.506 4.397 30 40 HIEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1 4423681 YTXOXWIHNZWOQD-HDVPVRFFSA-N 417.512 4.421 30 40 HIEB Cc1ccc(/C=N/n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 5070883 VYQRVCGXYDHRJM-MZJWZYIUSA-N 414.513 4.133 30 40 HIEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1[C@@H]1COc2ccccc2O1 8705730 PAWUZIUQRQBLRQ-IBGZPJMESA-N 413.474 4.417 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC)cc2)cc1 16741466 ZSACHGBRWFHONO-OAQYLSRUSA-N 407.466 4.248 30 40 HIEB COc1ccc(-c2ccc(/C=N/NCc3ccc(OC)c(OC)c3)o2)c([N+](=O)[O-])c1 20195908 NZGSSYCFUSZZGS-YDZHTSKRSA-N 411.414 4.004 30 40 HIEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 20635448 JXQIRJSMEYKJBJ-QGZVFWFLSA-N 409.921 4.267 30 40 HIEB CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O 51366841 CEJYWJSEJHZTLS-GIUUDRRCSA-N 411.527 4.256 30 40 HIEB O=[N+]([O-])c1cc(OC(F)(F)C(F)(F)F)c(O)c(OC(F)(F)C(F)(F)F)c1 95676297 DEOKUSPOZQDNNK-UHFFFAOYSA-N 407.116 4.368 30 40 HIEB C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S 96663129 IKSWZLXVDFNTEV-XNTDXEJSSA-N 401.538 4.215 30 40 HIEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3[C@H]3O[C@@]132 100743678 PUQXXZQWBYBAOG-WOXZTIATSA-N 423.597 4.467 30 40 HIEB biogenic O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc([N+](=O)[O-])cc1 102929095 JRVIPCBISUAEOY-NHFXJNLRSA-N 400.390 4.221 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1)S(C)(=O)=O 218392588 YMZWRGBVCIROAI-NRFANRHFSA-N 400.544 4.137 30 40 HIEB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c(C#N)c1 225781535 IQMVSHWEJZQSSR-UHFFFAOYSA-N 408.498 4.433 30 40 HIEB Fc1ccc(-c2cc(C(F)F)nc(N/N=C/c3ccn(CC(F)(F)F)n3)n2)cc1 252480122 BWFFHQBYFLJDNC-KTZMUZOWSA-N 414.313 4.425 30 40 HIEB CCOc1cccc(/C=N/N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 408589258 LDDZJPHDWZHINS-VHPZFDFESA-N 422.484 4.311 30 40 HIEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)S1 408860511 XHUUQXMMHOJJEM-YVLHZVERSA-N 416.886 4.394 30 40 HIEB Cc1cc(C)c(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c(C)c1 409407714 NVKRCDGOOPLYRX-BLKABHOGSA-N 401.510 4.160 30 40 HIEB CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)OC[C@H](O)CO 1570009238 PLNQBAAKOOAQEX-NONRQZMLSA-N 414.583 4.464 30 40 HIEB COCc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1C#N 983470 HAQKADFWFYFLRQ-UHFFFAOYSA-N 410.524 4.262 30 40 HIEB Cc1cccc(/N=C(\O)c2ccc(F)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 3022322 CNTDJYWDVJEVPQ-HOTGVXAUSA-N 404.507 4.437 30 40 HIEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(F)c1 4632291 DYJCGMVNITUZFN-SFHVURJKSA-N 403.475 4.281 30 40 HIEB N#C[C@@H](/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 5072514 CHIOGLDLLODXAU-BLWNTKICSA-N 400.463 4.048 30 40 HIEB N#Cc1c(N)n(-c2ccc(NC(=O)c3ccccc3)cc2)c2nc3ccccc3nc12 5155935 KKPRSPYBEWMQML-UHFFFAOYSA-N 404.433 4.280 30 40 HIEB COc1cccc(/C=C/c2nc(C#N)c(NCCc3ccc(OC)c(OC)c3)o2)c1 8494525 AQOACMRTGKAEKT-CSKARUKUSA-N 405.454 4.397 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2ccc3c(c2)OCCO3)n(Cc2ccco2)c1C 9586949 CMRRIFRRNHDETI-UHFFFAOYSA-N 423.494 4.120 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccccc1F)n1nc(SCc3ccccn3)nc1N2 18198881 YOTAFCHIOLBLPT-LJQANCHMSA-N 407.474 4.127 30 40 HIEB COc1cc(/C=N\N=C(\C(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC 25693345 PGWBKJVMKSZZTR-GCSGCKPLSA-N 402.450 4.419 30 40 HIEB COc1ccc([C@H](CNc2oc(COc3ccc(C)cc3C)nc2C#N)N(C)C)cc1 27991356 ALVJBRVEOANGDN-NRFANRHFSA-N 420.513 4.466 30 40 HIEB Cc1nn(Cc2ccc(F)cc2)c2sc(/C(O)=N/c3nnc4ccccn34)cc12 31739899 ZINOERGNFACNDO-UHFFFAOYSA-N 406.446 4.273 30 40 HIEB COc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccc(OC)cc34)SC2=S)cc1 77024402 FIOIJPJZGMFXHW-VXLYETTFSA-N 424.503 4.317 30 40 HIEB O=C(/C=N\Nc1ccccc1)c1ccc(C(=O)/C=N\Nc2ccccc2)c([N+](=O)[O-])c1 100368989 ONPCEZRHCSYLMB-YBOYZMIGSA-N 415.409 4.156 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N\c1cc(C)ccc1C 408906969 FIPHXCSTJQOSHR-FFXWWKDOSA-N 410.495 4.391 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c2C#N)C1 869852 UBTOSYANHRASGA-SNVBAGLBSA-N 408.449 4.087 30 40 HIEB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc(C)c(C)c1C#N 888238 UJTMRNPSXXKYQT-UHFFFAOYSA-N 411.556 4.170 30 40 HIEB Cc1cc(C)c(NC(=O)C[N+](C)(C)C[C@@H](O)COc2cccc3ccccc23)c(C)c1 2017809 NZIABLNBSAKBCW-JOCHJYFZSA-O 421.561 4.220 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1 3338540 NRWVMPLLFXNZTA-UHFFFAOYSA-N 416.453 4.463 30 40 HIEB CCCCCCn1c(O)c(/C(O)=N/c2ncc([N+](=O)[O-])s2)c(=O)c2ccccc21 4588962 OZKNQDRYQPXJCZ-UHFFFAOYSA-N 416.459 4.288 30 40 HIEB CCCCN[C@H](c1ccc(/C=N/C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl 5973616 PSSZBBCGAQGXBY-BRUSPLQXSA-N 409.785 4.040 30 40 HIEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 8844478 JLWYTQNQVXGWOK-UHFFFAOYSA-N 417.252 4.075 30 40 HIEB CCC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 51366959 VCHFDMLVDMNIGJ-JCAVJTNVSA-N 414.462 4.368 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 102860956 YLDXOJFCVXMTFH-YDJIHCHBSA-N 407.397 4.049 30 40 HIEB O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(Br)o1 102947557 GPZJUYDTENLUAS-XLNRJJMWSA-N 416.662 4.493 30 40 HIEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1N1CCOCC1 409105323 MSGDSBQZVPDFQA-FSJBWODESA-N 408.380 4.205 30 40 HIEB C=CCc1cccc2cc(C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)c(=O)oc12 1075612 ZKEKPVLHLQKREL-UHFFFAOYSA-N 402.494 4.101 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 5477756 XPEJZEOTJJODRP-UHFFFAOYSA-N 408.527 4.433 30 40 HIEB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C#N 7299154 PMVVMDWDKGRIDA-LLVKDONJSA-N 413.503 4.472 30 40 HIEB CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 9483289 LRDHJVUYCMLYJT-XMMPIXPASA-N 419.525 4.058 30 40 HIEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OC 10119111 AHTQIQNDSFBWSE-FOKLQQMPSA-N 411.285 4.068 30 40 HIEB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1 26456745 TXEVVKRLZAVFHZ-DMZKTXOQSA-N 405.473 4.382 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccccc3)n2)cc1 27018419 BKKNPRIKAODCJZ-KGENOOAVSA-N 414.556 4.287 30 40 HIEB C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(OCC)cc2)=N1 57401477 PTHFVCZPVMKUIZ-UHFFFAOYSA-N 424.526 4.007 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N\c2ccccc2/N=C\c2cc([N+](=O)[O-])ccc2O)c1 100035817 GTAVCIBREOKYQJ-IINORCHSSA-N 406.354 4.415 30 40 HIEB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\N=C1/NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S1)C2 101025314 IQUGJIVYYGPFAC-UVKYXAJMSA-N 401.507 4.188 30 40 HIEB Cc1cccc(NC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)c1 103321588 NOONKPUWJAGVII-DAFNUICNSA-N 402.475 4.365 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C(=O)NC1=S 408903160 QEFMEVVXCIIMAO-RCCKNPSSSA-N 421.566 4.249 30 40 HIEB O=[N+]([O-])c1cccc(/C(=N/OCc2ccc(Cl)cc2Cl)N2CCOCC2)c1 408973412 MQEYXSFWOXESEP-UZYVYHOESA-N 410.257 4.112 30 40 HIEB C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccccc1C 409350863 ZIZLUARNDPJZOU-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB N#CCCN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)c1ccccc1F 6625515 DNRBXIOYZKFRHQ-GOSISDBHSA-N 407.474 4.239 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 9463699 AWYQYZBEZPQUQV-UHFFFAOYSA-N 419.432 4.276 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2C)cc1 10367910 SAZRTYWKJRAHFW-UHFFFAOYSA-N 419.506 4.423 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccccc2)C1 13786016 KZKWECNOANXDFR-WSTZPKSXSA-N 413.525 4.036 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc3cccc(OC)c3n2)S/C1=N\c1nccs1 54361112 VSRFAAPRZJHWMT-MVZWBTKSSA-N 408.508 4.490 30 40 HIEB C=CCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408708731 LSISDXFENFGJRW-UHFFFAOYSA-N 400.478 4.138 30 40 HIEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C#N)C1 4280357 RVWOIVRKOSERMQ-UHFFFAOYSA-N 413.499 4.174 30 40 HIEB COc1cc(/C=C/c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc(OC)c1OC 8469941 UOYCPHOTJAAUHZ-RMKNXTFCSA-N 409.417 4.494 30 40 HIEB C#CCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 13995410 XLYLKHNGWVRNHH-QVKFZJNVSA-N 421.497 4.495 30 40 HIEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1Cl 14387191 CYQKPLMTPOCXRH-ZDUSSCGKSA-N 403.313 4.354 30 40 HIEB O=C1N/C(=N\N=C\c2ccc(F)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 18209106 QHWJRJPFMQBEOP-WPZNHYQYSA-N 409.458 4.305 30 40 HIEB COc1cc(C#N)cc(Cl)c1OCC(=O)c1cc(C)n(-c2nccs2)c1C 22142086 WZHSTYSDPIRIIR-UHFFFAOYSA-N 401.875 4.346 30 40 HIEB C#CCOc1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)cc1OC 36740539 KCCWSVYHOFWXQN-UHFFFAOYSA-N 421.585 4.414 30 40 HIEB CCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(CC)cc1 55129079 IYUSRONRHLPGCQ-VHWNHXCPSA-N 401.532 4.260 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 102495222 BVDMCHIWPPTVAG-SELCWUDQSA-N 424.478 4.378 30 40 HIEB CSc1ccc([C@H]2C3=C(O)N=C(O)N(C)C3=NC3=C2C(=O)c2ccccc23)cc1 102659548 RPPBNLPTYWWHMM-OAHLLOKOSA-N 403.463 4.141 30 40 HIEB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=Nc2ccccc2)NC1=O 409102855 WHYYYAMFDVDUDN-MOSHPQCFSA-N 409.511 4.196 30 40 HIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc2c1OCO2 409305582 NPQOFSCDRKSCMY-UHFFFAOYSA-N 405.454 4.064 30 40 HIEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c(OC)c1OC 2104237 IFUSTXZFCDIBIV-ODLFYWEKSA-N 422.389 4.141 30 40 HIEB biogenic CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c2nc3ccccc3nc21 2302657 OYIYQKZDDUCNOB-UHFFFAOYSA-N 419.510 4.366 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 3333783 QSGPETJUKMLUPK-UHFFFAOYSA-N 413.890 4.053 30 40 HIEB C=CCn1c(SC[C@@H]2COc3ccccc3O2)nc2sc(C)c(C)c2c1=O 3444644 RAUSXDSUQNDTKS-AWEZNQCLSA-N 400.525 4.193 30 40 HIEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 4518311 AJHSZVAXFKNZGP-UHFFFAOYSA-N 404.495 4.110 30 40 HIEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C 8922549 ZRULOLVUMIRUAB-SFHVURJKSA-N 424.453 4.388 30 40 HIEB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 9511173 QPJJSHOTXUSQFG-KRWDZBQOSA-N 423.476 4.038 30 40 HIEB CC(=O)/N=C1\S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(F)cc1 16138774 POEYUWSYQSUSCD-AEPKTBMXSA-N 418.833 4.231 30 40 HIEB C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 35043493 ZYUCPIWDQPSVDI-LTGZKZEYSA-N 423.513 4.183 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(Cl)cc2)no1 102804048 GYPKJIZLCZEMQS-IBOXJLQUSA-N 400.843 4.324 30 40 HIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757841 HWXSNANZSPKJSN-UHFFFAOYSA-N 407.426 4.232 30 40 HIEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1CC=C 408985137 VRSZQZQBOARONL-PGMHBOJBSA-N 416.477 4.209 30 40 HIEB C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)NC1CCCC1 409358270 DLIGCBHEHSRMGR-UHFFFAOYSA-N 420.579 4.188 30 40 HIEB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(C#N)cc1 3359413 IWPHXYYRMDDULE-SNVBAGLBSA-N 424.092 4.489 30 40 HIEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C(=O)O)cc1 4682163 HOYGWQXRQNZULT-ZIKOHYJISA-N 412.467 4.026 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)NC1CCCCC1 4794982 DQKYBXLLMNAMGT-BGARDKSCSA-N 412.606 4.254 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(OC)c(OC)c1 14083715 YLMBDLWVEAOSHJ-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 14633641 CHVNDISXTHLNMX-UHFFFAOYSA-N 412.921 4.078 30 40 HIEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccc(OC)c(OC)c3)c2C)cc1 20196227 NXKVCLBSKPSFMP-CVKSISIWSA-N 421.497 4.022 30 40 HIEB COc1ccc(-c2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2C)cc1 24050703 LMIQSPILLDERJS-UHFFFAOYSA-N 423.542 4.425 30 40 HIEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(Cl)c2c(c1)OCCCO2 24507288 AOICWNOGLCQARI-UHFFFAOYSA-N 409.791 4.302 30 40 HIEB COCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 44027696 YVMKMEDWSDCIAG-FPYGCLRLSA-N 407.260 4.085 30 40 HIEB COc1ccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 48342346 CCJCQDZWVOJMQP-PKTZIBPZSA-N 400.434 4.111 30 40 HIEB C#CCOC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 73635113 DOFJNVNPXYPFEY-UHFFFAOYSA-N 419.243 4.358 30 40 HIEB CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1cccc(C(=O)O)c1 100311450 CAOFPIKQUGNCKX-CXSMVCKMSA-N 412.467 4.026 30 40 HIEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 102702228 MURBHCDFLGBRKF-LFVOPCPISA-N 424.840 4.271 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1[N+](=O)[O-] 408738853 PIEIDZTVIUGIQQ-PXNMLYILSA-N 403.847 4.457 30 40 HIEB C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C#Cc1ccccc1)c1ccccc1 1547139767 BOFHBYNHTDUFGB-CHZKFRDHSA-N 420.553 4.129 30 40 HIEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1 3356552 OEPSVPAUSWCLQX-UHFFFAOYSA-N 406.847 4.312 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OCC)cc1 4119646 XVWGRZDCGXHLBR-YKSBVNFPSA-N 424.493 4.422 30 40 HIEB O=C1CCCC2=C1[C@H](c1cccnc1)n1nc(SCc3ccccc3F)nc1N2 4194207 KUKZCCAJDPGMJA-IBGZPJMESA-N 407.474 4.127 30 40 HIEB CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238250 HGYLHPJDYGXVGS-OAHLLOKOSA-N 418.522 4.299 30 40 HIEB C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 8895208 XILJYHKRFZNECB-LJQANCHMSA-N 422.462 4.392 30 40 HIEB O=c1c(/C=N/Cc2ccncc2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 96026164 MNHBJSHWYAGOMY-MFKUBSTISA-N 411.490 4.456 30 40 HIEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 97954030 WVSDPBMRQIYJFH-GUDVDZBRSA-N 424.545 4.364 30 40 HIEB CCc1ccc([C@H]2/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 102512825 PROBYIFWEDZMDT-MOBKVPTQSA-N 417.461 4.473 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102642757 QAEASNNQHJXWCO-NHFXJNLRSA-N 404.853 4.357 30 40 HIEB C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OCC)cc1 224608349 ZYMKBCGINUXZJZ-UHFFFAOYSA-N 411.907 4.137 30 40 HIEB Cn1c(N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21 408657788 NOMRIQNBJXSAJZ-QGMBQPNBSA-N 424.096 4.250 30 40 HIEB Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 409010074 BFFTZLLCDIGLJL-WSDLNYQXSA-N 414.440 4.198 30 40 HIEB C=CCc1cccc2cc(C(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)c(=O)oc12 1074398 MMGVFAZNUORDGF-UHFFFAOYSA-N 422.912 4.446 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1 2369638 XVCAIZBMSLPKTC-OAQYLSRUSA-N 420.538 4.213 30 40 HIEB Cc1ccc2[nH]c3nc(SCC(=O)Nc4sc(C)c(C)c4C#N)nnc3c2c1 4130118 WGVRTYXQEAJGAM-UHFFFAOYSA-N 408.512 4.095 30 40 HIEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 8026191 IAZHZJYNNABDKG-IBGZPJMESA-N 423.538 4.187 30 40 HIEB COc1ccc2c(C)cc(SCc3nc4ccccc4c(=O)n3CC#N)nc2c1 12644322 FLGPYQDCNBFEFV-UHFFFAOYSA-N 402.479 4.078 30 40 HIEB CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O[C@H](C)C(=O)N(C)C 13041960 ZDVSRIBBJMFVQF-KXCGHJCSSA-N 401.890 4.490 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)Nc1ccc(F)cc1 13770104 QELFWKIEELTYTC-UHFFFAOYSA-O 405.280 4.473 30 40 HIEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3c(C)noc3C)c2)c1 24841220 RCRAOVBDPRQXIL-UHFFFAOYSA-N 402.450 4.049 30 40 HIEB Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 32665053 WFJDFAJFVQRAPT-UHFFFAOYSA-N 424.976 4.021 30 40 HIEB Cc1ccc(Cc2cnc(NC(=O)CCc3c(C)nn(CCC#N)c3C)s2)cc1 32760135 DKPUKCLZGSXMDL-UHFFFAOYSA-N 407.543 4.341 30 40 HIEB CC(C)(C#N)c1ccc(-n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)cc1 33359414 VDJPWUIERGLWRZ-UHFFFAOYSA-N 407.271 4.431 30 40 HIEB CCOc1ccc(NC(=O)NCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 35291938 ZQMAIJJEKCWUFZ-UHFFFAOYSA-N 403.486 4.356 30 40 HIEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)Cc1cccs1 39978526 WESCNSBODGZWRI-UHFFFAOYSA-N 411.552 4.148 30 40 HIEB C=CCOc1ccccc1CN1CCN(c2ccccc2[C@@H](O)c2ccccn2)CC1 72340686 MTLANFVJBAFKPI-AREMUKBSSA-N 415.537 4.050 30 40 HIEB CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2n1 95469227 VIFFSPOVYBZZGW-UHFFFAOYSA-N 413.506 4.472 30 40 HIEB O=C1/C(=N/Nc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 101386658 HMOVOCXFZZOEAN-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB CCCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102530949 MZOXUEMUOCZKCJ-MRJHHRETSA-N 418.449 4.085 30 40 HIEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(I)o3)S2)c(C)c1 408723876 XPVHHMOTWPADBK-MDWZMJQESA-N 424.263 4.393 30 40 HIEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)O 408790056 MVOHACZXNNOHDE-JPFXZVHCSA-N 424.522 4.041 30 40 HIEB COC(=O)c1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1C 409385895 OEFFWUYNUYSWFN-WYMPLXKRSA-N 423.421 4.411 30 40 HIEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 3649248 OIGZCOAKRUBYBF-ZHZULCJRSA-N 403.507 4.054 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@@H](O)CN3[C@@H](C)CCC[C@H]3C)cc2)c1O 4754069 BDVWBPNTQNOQKA-ONFFYBLVSA-N 412.530 4.154 30 40 HIEB CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 8809565 OUWIEMQPMBFADD-UHFFFAOYSA-N 414.430 4.315 30 40 HIEB C=CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nnc1-c1cccnc1 9026955 YRCZBLBYWLLVGW-UHFFFAOYSA-N 422.539 4.175 30 40 HIEB C=CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)Nc2cc(C)on2)=C1C 10354307 JNJXYDARRMPPCZ-QGZVFWFLSA-N 420.391 4.167 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1F 26458917 YUOSHBOVYMRKHX-HXUWFJFHSA-N 407.397 4.206 30 40 HIEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(OC)ccc2OC)cc1 40286493 KVXQPNJAXPABBF-SFHVURJKSA-N 403.438 4.025 30 40 HIEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 100237564 WWRXLKKVHLBDIO-CIVVYURCSA-N 421.500 4.077 30 40 HIEB CC[C@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)CCN1C(=O)c2ccccc2C1=O 103029179 QELXXCRQIHCPII-TZFALNRWSA-N 421.522 4.023 30 40 HIEB CCc1cc2c(cc1N1CCN(C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114803041 VYUPBBUIPPRDHY-UHFFFAOYSA-N 412.537 4.224 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409135171 VKYKGDRLSFAGJV-LICLKQGHSA-N 416.836 4.145 30 40 HIEB COc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c(OC)c1OC 3261752 IABZQACDFQBHJG-LSHDLFTRSA-N 413.421 4.052 30 40 HIEB CCOc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C3CC3)nc3ccccc32)cc1 3490907 JIFYQMBGZIJCEK-QHCPKHFHSA-N 420.538 4.325 30 40 HIEB CC(C)Oc1ccccc1/C=N/Nc1nncn1/N=C/c1ccccc1OC(C)C 4696815 BTODORXAEJYSPB-SUQYBGNLSA-N 406.490 4.181 30 40 HIEB CSc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205648 KLJUEGBQOJNGPH-LHSJRXKWSA-N 404.495 4.121 30 40 HIEB CC1=CC(=O)C=C(C)C1=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 6982284 ZYGQMMOVCBUSJM-DARPEHSRSA-N 412.898 4.392 30 40 HIEB C=CCn1c(SCCOc2ccc(Br)cc2)nnc1-c1ccncc1 9284415 SZFUSXGSZILXPN-UHFFFAOYSA-N 417.332 4.460 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(F)cc2)cc1 9992105 YTSUWHUPNMEDTD-NRFANRHFSA-N 418.424 4.008 30 40 HIEB C=CCN(C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1nc2c(s1)CCCC2 12915478 POJYCDTVHUYLQT-HNNXBMFYSA-N 415.584 4.155 30 40 HIEB COc1cc([C@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)ccc1O 13682476 XHIVTOGNOCFBAD-IVZQSRNASA-N 418.449 4.361 30 40 HIEB COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1C#N 16267796 IUEPTURERJZYEF-VROXFSQNSA-N 424.844 4.466 30 40 HIEB C=C(C)CN(CC)C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 22831267 QCEYHJSPYPJZBO-HNNXBMFYSA-N 421.998 4.060 30 40 HIEB Cc1ccc2cc(C#N)c(NCCCNC(=S)NCc3ccccc3)nc2c1C 35291954 JBOWJZKXUIPENN-UHFFFAOYSA-N 403.555 4.190 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2cncn2-c2ccc(F)cc2)C(C)(C)c2ccccc21 58440112 ZAQHBODARFXFLN-UUYOSTAYSA-N 419.456 4.049 30 40 HIEB O=S(=O)(c1cc(/N=C/c2ccco2)ccc1N1CCCCC1)N1CCCCC1 59489772 AQVNQUXDQAFAML-OQKWZONESA-N 401.532 4.195 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C 102506811 WXHJVDIPDKNOJO-NHFXJNLRSA-N 420.490 4.082 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 408867552 LNANWABMLMHHML-PDGQHHTCSA-N 412.442 4.066 30 40 HIEB CCOC(=O)Oc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OC 408871684 ZESFHXIQGZMOHX-BOPFTXTBSA-N 416.430 4.261 30 40 HIEB COCCN1C(=O)/C(=C/c2ccc(OC)cc2C)S/C1=N\c1ccc(OC)cc1 408943810 ZAXWJSRPXZRKKM-DJOYVXLESA-N 412.511 4.263 30 40 HIEB CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCC#N)SC1=S 409050436 VQFFBBAMZNNCSH-ZSOIEALJSA-N 411.346 4.209 30 40 HIEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C1=C(CC(C)(C)CC1=O)N2 4436379 DDHOUEZMCXHYSD-SFHVURJKSA-N 414.531 4.065 30 40 HIEB O=C1/C(=N/Nc2ccc(Cl)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 13895810 MEEXSNODCYUPOE-HIXSDJFHSA-N 419.828 4.467 30 40 HIEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O 15012943 ACYHHRVYILKMKZ-SAIXKJTDSA-N 424.316 4.305 30 40 HIEB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1C 32929425 KCECLLVIZZSABT-UHFFFAOYSA-N 405.479 4.228 30 40 HIEB CCOc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc(Br)c1O 43080429 HZDHKKUWRIUEMK-NTEUORMPSA-N 411.321 4.056 30 40 HIEB O=S(=O)(NCc1ccc(/C=N/c2cccc(Br)c2)o1)c1ccccc1 408786558 KOPIBIUXZBLNJP-UDWIEESQSA-N 419.300 4.271 30 40 HIEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC 408981753 BIJXYKSJRCSFKI-BOPFTXTBSA-N 410.857 4.052 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)o1 815798 HUNZAGODPWZEQB-WAIKUNEKSA-N 407.466 4.131 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1OC 5478574 JYHFEHCNEXZHER-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB C=CCn1c(C)cc(C(=O)COC(=O)c2csc(NCc3ccccc3)n2)c1C 6373462 XKPNRBZWWJMSKO-UHFFFAOYSA-N 409.511 4.399 30 40 HIEB CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(C)CCC#N)cc2)c1 6473299 NWJISTRUSPCFDJ-HZHRSRAPSA-N 406.515 4.238 30 40 HIEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 13712716 QYCNNRCMFLYVQT-IBGZPJMESA-N 422.934 4.088 30 40 HIEB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 19818130 QOTIIPXSRFIXCT-HSZRJFAPSA-N 417.461 4.127 30 40 HIEB O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(Cl)c1Cl 21133153 YKSDEGNVWIGZMG-CYBMUJFWSA-N 400.331 4.242 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2OC)C2CC2)cc1OC 25761467 JBYRAQVMSRKSRF-NTUHNPAUSA-N 423.509 4.482 30 40 HIEB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc(C#N)cc1 32716927 CDJAHKIGMSKHTN-UHFFFAOYSA-N 422.488 4.448 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccccc1OC(F)F 57531517 IUSHUPOTZCBRBC-QGZVFWFLSA-N 406.454 4.307 30 40 HIEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc(NC(=O)CC(C)C)c1)=C2 62001631 LKCVLTYAEJKWHV-UHFFFAOYSA-N 422.525 4.400 30 40 HIEB biogenic CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1 409285532 WYZJMSYBPHBIPL-UHFFFAOYSA-N 413.319 4.231 30 40 HIEB C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NC1CCCC1 409359425 JIQKHDUIKPRDGN-UHFFFAOYSA-N 402.589 4.048 30 40 HIEB C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC=C)C2=O)cc1OC 2128258 HVSIFGIDLJJFMO-OQLLNIDSSA-N 410.289 4.245 30 40 HIEB COc1ccc(-c2c(C#N)c(OCC(C)=O)nc3c2c(C)nn3-c2ccccc2)cc1 2585265 ZIKDTDRPIYWGFS-UHFFFAOYSA-N 412.449 4.244 30 40 HIEB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)nc12 5256904 WMMCKEGUDJETNF-UHFFFAOYSA-N 414.918 4.038 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C2\CC[C@@]3(O)C[C@]2(C)CC[C@@H]2[C@@H]3CC2(C)C)cc1 5955408 BSQVUDMFVHHRDL-SHCKTDHASA-N 404.576 4.007 30 40 HIEB COc1cccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 6928898 BIBYNZTTWCEZSP-ZHACJKMWSA-N 410.495 4.092 30 40 HIEB CCOc1ccc(/C=C/C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)cc1OC 7586394 YXNRGOFEOAWEJZ-UXBLZVDNSA-N 412.505 4.271 30 40 HIEB C[C@H](NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)OCCO2 8075357 SDTLYBJPFDBQQG-KRWDZBQOSA-N 414.461 4.253 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 8739599 QGXJUSWVFBGRSX-LJQANCHMSA-N 424.840 4.428 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)c1 8991761 GYVBKXAQNYMGFJ-JJFYIABZSA-N 400.434 4.059 30 40 HIEB C=CCN1C(=O)/C(=C\c2c[nH]c3cc(OC)ccc23)S/C1=N\c1nnc(C)s1 9530606 OEOOZEMUILGZBZ-NHWLLTSQSA-N 411.512 4.126 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 12408570 RKHJBAJUNGIJNO-QKKBWIMNSA-N 418.453 4.066 30 40 HIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C(=O)NC3CC3)cc2)cc1 12896333 DVELYKPVLZFPFN-UHFFFAOYSA-N 411.461 4.135 30 40 HIEB COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCc4ccccc4)CC3=O)n2)cc1 13655749 UVPRGCZUCAENFS-MRXNPFEDSA-N 419.550 4.352 30 40 HIEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCCO 16041553 JREAFELZSSHHGP-RXOYHEDQSA-N 403.563 4.246 30 40 HIEB biogenic COc1ccccc1N/C=C1\C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O 20558862 WVIGNEGBUWSQJO-PXLXIMEGSA-N 420.490 4.181 30 40 HIEB N#Cc1ccc(Nc2nc([C@@H]3CCCN(Cc4cc5ccccc5[nH]4)C3)cs2)cn1 585295447 ZNXDTZAESJNVSV-QGZVFWFLSA-N 414.538 5.014 30 40 HIEB CC(C)(COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 1083813017 RNLUKSWHVSARAF-UHFFFAOYSA-N 424.203 4.347 30 40 HIEB O=C(C[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2)c1ccc(Br)cc1 1788724 ZREYBLRGFZCFAB-QQHGCPPCSA-N 419.364 4.433 30 40 HIEB biogenic COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2C)C(=O)N1C 4574961 BDMYNWMSKJWWTI-OLRQPGBRSA-N 417.918 4.247 30 40 HIEB CC[C@@H](C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(N(C)C)cc1 5931328 CSQCQABMFKLXLP-FZKQIMNGSA-N 424.570 4.291 30 40 HIEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)NC1=S 12362893 QHPVSNCJYFPHAD-ZHZULCJRSA-N 415.518 4.060 30 40 HIEB CCCCN(C)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32682607 KANBHARSQWPVEJ-IBGZPJMESA-N 412.490 4.044 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)c(C)c1 102864120 YYUABTHVPQGBMS-HOGKFDNTSA-N 414.461 4.021 30 40 HIEB CCOc1ccccc1/N=C1\SC[C@@H](C)N1C(=O)c1cc2ccccc2oc1=O 103025262 PZPGYXISBHSNST-RRIJTRSESA-N 408.479 4.457 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 409358568 LVXLSOZMTUFZNR-UHFFFAOYSA-N 423.831 4.356 30 40 HIEB COCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccc(OC)cc1 409372734 IDYWQZBUIVXPPX-YDOFSLMMSA-N 412.511 4.268 30 40 HIEB Cc1c(CN2CCC[C@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)[nH]c2ccccc12 585294140 OQULBIWLWITNGC-QHCPKHFHSA-N 409.497 4.614 30 40 HIEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/NC1=C(C)[C@H](C)[C@H](c2ccccc2)C1=O 1554503341 FENKODFONSFNEI-UXUABKQVSA-N 420.900 4.285 30 40 HIEB N#CCCN(C(=O)COC(=O)c1cccc(-c2ccc(O)cc2)c1)c1ccccc1 3343524 GJITULGOQWQSJZ-UHFFFAOYSA-N 400.434 4.163 30 40 HIEB CCn1c(C)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1C 4458574 LHTBWDPWZLLQFH-BRBBDLJVSA-N 424.570 4.195 30 40 HIEB COc1ccc(/C(C)=N\OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 9183960 RPKKKFIOHKBPBR-YUMHPJSZSA-N 420.517 4.301 30 40 HIEB CN(C(=O)c1ccccc1C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 9703197 XRRFLLHRSGQJLF-UHFFFAOYSA-N 400.434 4.071 30 40 HIEB C=C(C)Cn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccncc1 16788600 NLWYEXSJZADWDV-UHFFFAOYSA-N 409.515 4.046 30 40 HIEB C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 32111739 WVTKNJOBZGHOHL-ATVHPVEESA-N 415.312 4.276 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccccc2)c2ccccc12 101358487 NYERNECKBAKABG-FLGGMUODSA-N 409.489 4.221 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 102931969 OXHIPGCTTURWAC-ZHHPLPSFSA-N 413.473 4.360 30 40 HIEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041337 IUVLRIJWTXWAGK-UHFFFAOYSA-N 402.472 4.298 30 40 HIEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 408964402 RIVAADUPLRACND-LDADJPATSA-N 408.414 4.416 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 409128222 HTOWMBVZCYIBRV-CPNJWEJPSA-N 415.518 4.275 30 40 HIEB CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2ccc(OC)cc2)C1=O 4551437 RZUWGVBGPRCQNM-AQTBWJFISA-N 411.479 4.247 30 40 HIEB CCC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O 4898294 VCHFDMLVDMNIGJ-JOHJSAGNSA-N 414.462 4.368 30 40 HIEB C#CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 6678994 MCZBGMIWQZOCII-IERDGZPVSA-N 403.507 4.356 30 40 HIEB C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(F)cc1 7151122 LKKVXKNXTMWISF-IBGZPJMESA-N 408.502 4.382 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 8040622 NABPNMWJNUUSLC-UHFFFAOYSA-N 422.934 4.090 30 40 HIEB C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cc(F)cc(F)c1 9011956 GOWUHNYZJLEMQE-GIPWTMENSA-N 408.408 4.472 30 40 HIEB Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 32828811 VJNMYJPLGVKCOQ-FQEVSTJZSA-N 406.511 4.331 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 33960956 BGFMZHZMLGPJJN-LXCDSIKOSA-N 420.896 4.450 30 40 HIEB COc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cccc(C)n2)cc1 102859072 WUNRLHRFXVRCJF-WOOAAIBNSA-N 406.463 4.086 30 40 HIEB Cc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)o1 253570735 OAIVVSWZFHVGCB-CJGBAMILSA-N 406.869 4.440 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C 408771941 KHBVKNHVWKWGLX-XMHGGMMESA-N 422.868 4.300 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl 408807027 JVFFWJRIQFUMJR-LFIBNONCSA-N 410.857 4.188 30 40 HIEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S1 408852337 JRSITMAZLIVDGY-PXNMLYILSA-N 403.847 4.457 30 40 HIEB N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2c2ncnc3ccccc23)CC1 585100665 SDVRMCPEBPZSDA-VWLOTQADSA-N 411.509 4.167 30 40 HIEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 849273 SBCWTFVNFNTVLJ-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 868583 XIHAGJNKSLTELD-LTUQMTLXSA-N 405.882 4.459 30 40 HIEB C[C@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c2C#N)C1 869851 UBTOSYANHRASGA-JTQLQIEISA-N 408.449 4.087 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2)[C@@H]1N(O)C(=O)NC1CCCCC1 1055010 QEPCQLXERPXDQQ-RBYWHNRPSA-N 406.577 4.192 30 40 HIEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(OC)cc1 4331407 LJUMPGDYNOXXEI-MRXNPFEDSA-N 410.543 4.380 30 40 HIEB Cc1cccc(Nc2nnc(SCC(=O)N(CCC#N)Cc3ccco3)s2)c1 7291948 WWOBYUKHDJEYSP-UHFFFAOYSA-N 413.528 4.218 30 40 HIEB C=CCSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 8397006 YFYMBFMMDZBBQK-FQEVSTJZSA-N 423.885 4.080 30 40 HIEB C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 8895210 XILJYHKRFZNECB-IBGZPJMESA-N 422.462 4.392 30 40 HIEB CCOC(=O)c1cc(C#N)c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc1C 12981784 SIXYAHJBOZCDMB-FQEVSTJZSA-N 423.538 4.284 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)nnc1-c1ccoc1C 12984363 WLFWZKRICIUNSG-ZFWWWQNUSA-N 414.535 4.319 30 40 HIEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 40121812 NTEXEMNOIHWQCH-GFCCVEGCSA-N 413.952 4.091 30 40 HIEB O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48326224 OOMKAHBLLRWNQK-IBGZPJMESA-N 407.539 4.014 30 40 HIEB CCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)OCC(F)(F)F 97985135 OIUBMDQQZLOAFQ-UHFFFAOYSA-N 424.547 4.231 30 40 HIEB CCCCCCCCCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 97992792 KKMGNQYGUCFKFQ-UHFFFAOYSA-N 408.502 4.359 30 40 HIEB Cc1oc(C)c2c1C(=O)c1ccccc1/C2=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103903924 AZSIHQAARLFSAL-QOCHGBHMSA-N 406.354 4.122 30 40 HIEB FC(F)(F)C(F)(F)C(F)(F)c1n[nH]c(C(F)(F)C(F)(F)C(F)(F)F)n1 104392981 FPVIHTFALYNIKB-UHFFFAOYSA-N 405.089 4.384 30 40 HIEB C=CCN(Cc1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 224475701 CQKNVGJWCDJQNK-UHFFFAOYSA-N 412.555 4.044 30 40 HIEB CCOCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1ccccc1 408929817 OMTMFGDKAFXFSN-HIZKOGFASA-N 410.495 4.114 30 40 HIEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccccc3Cl)c1)[C@H]1C=C[C@H]2C1 409144352 JOYNJTXHOBUJAS-AJPRLUCXSA-N 406.869 4.060 30 40 HIEB COc1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)ccc1OC(C)=O 409280812 KZMIMDIQJNCUCW-UHFFFAOYSA-N 419.481 4.260 30 40 HIEB COCCn1c(C)cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1C 409407409 UAAKYKOYVZNWQT-UHFFFAOYSA-N 400.482 4.010 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)c1 4629663 CQAOUIKELHESGR-LJQANCHMSA-N 415.511 4.150 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 5446477 MNAOKFJCJKUHED-KRWDZBQOSA-N 409.804 4.052 30 40 HIEB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 6760699 XCMTYIUCAISGEA-LGJNPRDNSA-N 410.481 4.295 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10357458 LDCVBIKFUJUCJM-OAHLLOKOSA-N 422.934 4.006 30 40 HIEB COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc(OC)c1OC 11869555 MORQFAVGWVWSHI-WQRHYEAKSA-N 422.389 4.141 30 40 HIEB biogenic CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)c1 13424114 KYYFEHBFBWWQJR-YQMDHOPXSA-N 415.490 4.205 30 40 HIEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 16956139 JGDIQYCUKGSFBU-UHFFFAOYSA-O 404.534 4.379 30 40 HIEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nc(C)cs2)cc1 22187363 ULOYHZUWRSLSJD-UHFFFAOYSA-N 412.540 4.470 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1 44973789 OXJJYEVQGNIQBV-QGZVFWFLSA-N 411.527 4.079 30 40 HIEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 102874745 TXTJODRPFTZDKC-JBCNATCCSA-N 403.434 4.219 30 40 HIEB CC(C)c1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccco1 409142053 KYGZAUVYFWPKSY-UHFFFAOYSA-N 401.422 4.214 30 40 HIEB C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 2089271 OGZXKSOQJWVCRO-JCMHNJIXSA-N 403.478 4.433 30 40 HIEB C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 2457567 GZWYHIUNRUJTQU-JOCHJYFZSA-N 423.469 4.116 30 40 HIEB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 4681353 KADSRHZVUADRQV-COPMAWBXSA-N 411.527 4.292 30 40 HIEB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)c1nc(C#N)c(C#N)nc12 4727523 UHCNCMWTVUSMPA-XCLFUZPHSA-N 411.387 4.032 30 40 HIEB COc1cc(Br)c(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1O 5231556 JKLDECTZQKPVLY-RMKNXTFCSA-N 416.271 4.186 30 40 HIEB COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1 5345156 WXHJZDMQXVSSRP-FBRGJASNSA-N 407.499 4.023 30 40 HIEB COc1cccc(C2CC(=O)C(=CNc3ccc(Br)cc3)C(=O)C2)c1 5689374 DBVVYPCYRSRWEF-UHFFFAOYSA-N 400.272 4.469 30 40 HIEB COc1cc(OC)cc(C(=O)Oc2cc(C)c3c(c2)O/C(=C\c2cccnc2)C3=O)c1 6670091 RLXDASNENZOLOL-WNFQYIGGSA-N 417.417 4.243 30 40 HIEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 13424086 DKTNAOADLXJMQX-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1 14082164 RRUJGMFFVYDWPU-UHFFFAOYSA-N 409.471 4.079 30 40 HIEB O=C1CSC(=S)N1/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 17373718 ONGJMECGJVPBCM-FBHDLOMBSA-N 412.927 4.387 30 40 HIEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cnn(CC)c1 36631357 PSRXZEOVFKPQTH-UHFFFAOYSA-N 416.938 4.040 30 40 HIEB CCN(C(C)=O)c1nc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cs1 96401381 HCZDWOLMJZXFRE-OQLLNIDSSA-N 400.529 4.024 30 40 HIEB CCCCCCCC1CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OCC)CC1 97995710 JFVAUINRNGPAAE-CBNMVNINSA-N 424.626 4.364 30 40 HIEB COc1cccc(NC(=S)N/N=C/c2c[nH]c3ccc(Br)cc23)c1 3339744 HSLFUPRQEZSJSB-KEBDBYFISA-N 403.305 4.260 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@@H](O)CN3[C@H](C)CCC[C@H]3C)cc2)c1O 4754077 BDVWBPNTQNOQKA-XWFGJIBWSA-N 412.530 4.154 30 40 HIEB O=C(C[C@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 9318356 KRICZPPOQIUNDJ-LJQANCHMSA-N 421.478 4.188 30 40 HIEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 9432047 AEYGVHLAXGJCJP-IBGZPJMESA-N 422.368 4.105 30 40 HIEB Cc1cccc(C(=O)N2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)CC2)c1 12418273 TVOWKFSSSQIGSJ-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 32789288 SDNSBJRSCXSJSS-UHFFFAOYSA-N 423.498 4.002 30 40 HIEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 101231621 BJTMYFLDVGOGDS-HVESIFNPSA-N 416.246 4.196 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cc4ccccc4o3)[C@H]2c2cccs2)no1 102803612 QRUYNOVNMZSYRZ-SELCWUDQSA-N 406.419 4.417 30 40 HIEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1)S(C)(=O)=O 222932003 IMKNLTQHAGFXBN-KRWDZBQOSA-N 412.555 4.008 30 40 HIEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224621858 GZEDEZYQNZTCQN-UHFFFAOYSA-N 416.282 4.112 30 40 HIEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccc2ccccc2c1 408743756 XXPVPOFPGMCICM-KCDOPAPYSA-N 407.882 4.260 30 40 HIEB CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)ccc1O 408861969 GYWNMLJEUNMBJQ-MFOYZWKCSA-N 404.875 4.345 30 40 HIEB C#CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409127581 OCFIXIVQRGMVHT-LTGZKZEYSA-N 407.491 4.376 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F 409281839 MCDFINIMHWEXHY-UHFFFAOYSA-N 410.193 4.368 30 40 HIEB CCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409385429 LSYVWHDYKKKWRD-ZMOGYAJESA-N 423.421 4.493 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccccc1F 2625900 LWHIDRZSEPJBEL-UHFFFAOYSA-N 416.909 4.332 30 40 HIEB CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)n1 4422810 HGGFNZXYTSUXAO-ZVHZXABRSA-N 406.486 4.064 30 40 HIEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1F 5869445 QVUFBCVKASSODA-UHFFFAOYSA-N 412.490 4.221 30 40 HIEB O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 9539536 XLDMTWDTJOBSPO-GORDUTHDSA-N 421.434 4.203 30 40 HIEB C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)NC1=S 12377935 IDKWAWXTKSZPJC-ZHZULCJRSA-N 400.507 4.091 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc3cc(OC)ccc3n2)S/C1=N\c1nccs1 54361111 IAVQZPFTSDUAEZ-NSMLSGJHSA-N 408.508 4.490 30 40 HIEB C[C@H](/C(O)=N/S(=O)(=O)c1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 89518726 LAQHTQDSSLYXKO-GFCCVEGCSA-N 401.315 4.159 30 40 HIEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc2ccccc12 102531650 YMMNIHIMBNQSDA-MOBKVPTQSA-N 401.462 4.298 30 40 HIEB CCCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102700705 GXTXOFZTLRSQPY-MRJHHRETSA-N 418.449 4.398 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219460282 DSGNLCOUNMYDFK-UHFFFAOYSA-N 413.477 4.135 30 40 HIEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)c1 223762159 QKMXZVRRGLGXEX-PYCFMQQDSA-N 416.344 4.344 30 40 HIEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1 2055313 VYVJVUQEKKDZNN-FQEVSTJZSA-N 411.498 4.030 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(F)cc1 2323856 HTVOLNJCVIMSTG-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 2801374 PFFSSAAWKDTQQT-OAQYLSRUSA-N 423.513 4.211 30 40 HIEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 3094434 FHCNSKCOWHBVLT-JOCHJYFZSA-N 413.514 4.405 30 40 HIEB COc1cc2c(cc1/C=C1/S/C(=N\c3cccc(Cl)c3C)NC1=O)OCO2 4472306 BWZCYWCUHACFFW-REZTVBANSA-N 402.859 4.277 30 40 HIEB Cc1cc(C)nc(-n2nc(C)c3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccccn2)n1 4871477 FDDWDDCGOIXFAD-OAQYLSRUSA-N 414.513 4.183 30 40 HIEB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccccc1C#N 4882617 RVHNVRXIRSLKRN-UHFFFAOYSA-N 415.518 4.004 30 40 HIEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 5376887 LTOJFQBYXPOPOQ-GDNBJRDFSA-N 406.385 4.384 30 40 HIEB O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1 12376496 WNDPOWHXYVZJNT-ACNSNUFOSA-N 424.400 4.192 30 40 HIEB COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 18056831 LCKPCXIDAWZOIA-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB O=[N+]([O-])c1cc(/C=N/Nc2ccccc2)ccc1N1CCN(c2ccccc2)CC1 59488796 HITOTSMANZKZJG-HKOYGPOVSA-N 401.470 4.367 30 40 HIEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)S1 59678795 MZEZGBJIQMIDEJ-NJPLLEPOSA-N 416.886 4.392 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72391223 OIAKUFGOAZWXEY-SGGJORCASA-N 416.565 4.463 30 40 HIEB N#Cc1ccc(COCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 77191726 RMBKRERUFKLIOE-UHFFFAOYSA-N 420.534 4.329 30 40 HIEB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(C#N)c1 97544208 KJKHGBHXOIFNCA-HSZRJFAPSA-N 403.457 4.173 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1 102711885 QVHJJJYLZBMAEF-MOBKVPTQSA-N 423.509 4.098 30 40 HIEB C#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 106901440 CEWDGVSFKOMNCD-FOIQADDNSA-N 415.896 4.044 30 40 HIEB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 205731585 ONUAXKNDAOUOQC-UHFFFAOYSA-N 420.315 4.057 30 40 HIEB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC#N 408787959 BMNSWNQWHDTFCJ-FBHQFGEZSA-N 409.511 4.150 30 40 HIEB C#CCOc1cc(N(C)C)ccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384510 IEANSOAXVQLFGL-OVVQPSECSA-N 422.488 4.024 30 40 HIEB C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 2358303 PCIHOGCFWSQVLP-UHFFFAOYSA-N 420.275 4.268 30 40 HIEB C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccccc1F 3431303 VWMWBRWONDKZAV-UHFFFAOYSA-N 416.909 4.332 30 40 HIEB CCOC(=O)C(=C/N=C(\S)Nc1c(CC)cccc1C(C)(C)C)C(=O)OCC 5549450 IRICBUFHMAWNOR-UHFFFAOYSA-N 406.548 4.254 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 6238984 QAKMZGWIYFYAMO-QGZVFWFLSA-N 406.265 4.218 30 40 HIEB C=CCn1c(SCCOc2ccc(C)cc2)nnc1[C@@H]1COc2ccccc2O1 6910321 SQXALRGNHGDBBX-FQEVSTJZSA-N 409.511 4.456 30 40 HIEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 8958717 ZLSCIYNIFIPRBM-UHFFFAOYSA-N 414.889 4.295 30 40 HIEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C(=O)O)o1 9324158 ZKHSJKXUMLFZGW-UHFFFAOYSA-N 404.374 4.028 30 40 HIEB O=S(=O)(Nc1ccc(/N=C/c2ccccc2O)cc1)c1ccc2c(c1)OCCCO2 9546172 NJHUHPUGKOWQPD-HZHRSRAPSA-N 424.478 4.105 30 40 HIEB C=C(C)Cn1c(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 13030810 UGSQFIRMNNKXQC-UHFFFAOYSA-N 423.513 4.001 30 40 HIEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2cccc(Cl)c21 32092267 APJPSBHROBKIAX-HSZRJFAPSA-N 416.868 4.092 30 40 HIEB C=CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32095579 OTPKJODNXHPNLO-HSZRJFAPSA-N 418.884 4.395 30 40 HIEB N#Cc1cccnc1OC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 96102857 SAUYMZFQNKYAFZ-UHFFFAOYSA-N 420.694 4.053 30 40 HIEB C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)[C@H]1Cc2ccccc2C(=O)O1 98054214 QBRFVYDTBNHONH-JKHIYUEESA-N 407.417 4.149 30 40 HIEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2Cl)/C1=C(\O)c1cccs1 102879505 SVVYSENEWXKLCE-ZYXMVNNGSA-N 403.887 4.002 30 40 HIEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220365546 FZMBLNQMXQTBJK-OAHLLOKOSA-N 422.934 4.006 30 40 HIEB O=C(COc1ccccc1/C=N/OCc1cccc([N+](=O)[O-])c1)Nc1ccccc1 408589231 DIJHDXGFYRPEBJ-OEAKJJBVSA-N 405.410 4.163 30 40 HIEB COc1ccc(/C=N\N2C(=O)CSC2=S)cc1OCc1c(F)cccc1Cl 409343654 FNAWXCJYPXZPNA-WNFQYIGGSA-N 424.906 4.261 30 40 HIEB COc1ccc(CNC(=O)CSc2nc3cc(Cl)c(C)cc3cc2C#N)cc1 915359 PPTSCAXJCOUMDU-UHFFFAOYSA-N 411.914 4.485 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1 4296010 OEVIWNDBSHKNFO-UHFFFAOYSA-N 407.543 4.236 30 40 HIEB N#CC[C@H](CNC(=O)c1ccccc1Cl)OC(=O)c1cccc(C(F)(F)F)c1 5679028 GOAHWRCCWLAPBP-CQSZACIVSA-N 410.779 4.228 30 40 HIEB COc1ccc(OC)c(N/C(=N/C(=O)Nc2ccccc2)Nc2nc(C)cc(C)n2)c1 8969275 FUBLRZNKBBXQBJ-UHFFFAOYSA-N 420.473 4.223 30 40 HIEB C=CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 12347940 MZSQHWYAKRTQPR-NRFANRHFSA-N 413.477 4.295 30 40 HIEB C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 12789623 FJUNKDSASVHVCC-UHFFFAOYSA-N 406.935 4.203 30 40 HIEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C1=O 12816689 WYRBFRZJXDJFAB-UHFFFAOYSA-N 421.453 4.292 30 40 HIEB Oc1ccc2ccccc2c1/C=N\n1cnnc1N/N=C/c1c(O)ccc2ccccc12 16525801 DWIGIFVIWAODRO-QTPWGULQSA-N 422.448 4.324 30 40 HIEB CCOc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20410835 QIOZSWGHSBEEKO-FKIZTMCRSA-N 409.482 4.024 30 40 HIEB biogenic CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182433 QQVUQYJDNJZNEV-JJFYIABZSA-N 406.482 4.351 30 40 HIEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cnn(CC)c1 36631377 GTEZRBQLJZDYKN-UHFFFAOYSA-N 404.337 4.402 30 40 HIEB C=CCc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 72295980 PHAGNOJQWJZIJO-OAQYLSRUSA-N 414.483 4.228 30 40 HIEB CC(C)c1ccc([C@@H]2NC(=O)C(=O)/C2=C(/O)c2ccc(Br)cc2)cc1 101062553 PCVKLNPVLMKGHP-HVESIFNPSA-N 400.272 4.282 30 40 HIEB CN(C)[C@H](CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 102709435 LDSKNQUMBCLNKY-IXCJUEIHSA-N 422.506 4.066 30 40 HIEB COc1cc(OC)c(-c2c(-c3ccccc3)cnc(N)c2C#N)cc1Br 408981730 WMMZQHOWXUJJIL-UHFFFAOYSA-N 410.271 4.649 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1C 409338535 LQDZJQNOYAHJCH-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc(C)c(C)c2c1=O 3319277 KFEGLXFZHOCNPL-CHWSQXEVSA-N 405.589 4.142 30 40 HIEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1OC 4919273 FFSVXIKTDLQMPE-SIKLNZKXSA-N 410.466 4.032 30 40 HIEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1 6275707 KXBZHJGBVJRFPM-DJKKODMXSA-N 406.305 4.047 30 40 HIEB CCc1ccc(Nc2nnc(SCc3c(C(=O)O)sc(N)c3C#N)s2)cc1 8721229 NZIQEOXITBHLTL-UHFFFAOYSA-N 417.541 4.350 30 40 HIEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1OC 12322046 BOXOKTISXDZKLO-UHFFFAOYSA-N 424.522 4.385 30 40 HIEB Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)c1 12418346 FJVJYAFUWNCMDV-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB Cc1ccc(-c2nc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cs2)cc1 12992284 UEBUCKVNXIZPFV-NRFANRHFSA-N 420.513 4.280 30 40 HIEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)s1 13693030 WRUGRQFLRVZWOI-SFHVURJKSA-N 423.469 4.073 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1[N+](=O)[O-] 19898394 JAVVBGNXWZUGRM-ZHRRBRCNSA-N 418.449 4.129 30 40 HIEB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC#Cc1ccc(C(F)(F)F)cc1 72312608 FRVAGITZGUDNFH-QGZVFWFLSA-N 405.397 4.103 30 40 HIEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1 102698592 SURBEXHTPUBRBY-SELCWUDQSA-N 412.804 4.402 30 40 HIEB C[C@@H]1Cc2cc(/C(O)=C3\C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 102735397 MRLZDWLIWGYDFI-NYSCORLISA-N 415.445 4.225 30 40 HIEB Brc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 408856194 JFVPVJDYXIXCMH-VCHYOVAHSA-N 414.097 4.392 30 40 HIEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(O)c(C(=O)O)c3)c3ccccc32)o1 409393927 TVQJSBMTPBCLDI-MYKKPKGFSA-N 418.405 4.224 30 40 HIEB C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 2113517 WICYXEAXRWSZRP-OAQYLSRUSA-N 420.494 4.269 30 40 HIEB C[C@@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(C#N)cc1 4246724 ZEQLHRQOSRQLJZ-QGZVFWFLSA-N 415.449 4.251 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OCC 4993025 DBDRKGMNPBBFAU-NRFANRHFSA-N 419.477 4.225 30 40 HIEB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)NC1(C#N)CCCCC1 5305092 BMXKWQUREKJVRH-AWEZNQCLSA-N 410.495 4.195 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 5800032 APMZFGFOTJUNRY-FQEVSTJZSA-N 404.397 4.012 30 40 HIEB CCNc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 7249315 IHJFWIYMLASKQE-SNVBAGLBSA-N 407.590 4.291 30 40 HIEB Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 9575748 YUAYSALAXRQXPW-SPLOXXLWSA-N 404.422 4.058 30 40 HIEB CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253505029 HKTPWOIJKNNTFE-OCTYNESTSA-N 414.615 4.167 30 40 HIEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3cccc(Cl)c3Cl)C(=O)NC2=S)cc1 408764462 ITFQGRCVUDHCCQ-NLTBIBMSSA-N 406.294 4.068 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OC 409323055 MLFMKPVJAIMPGV-UHFFFAOYSA-N 400.276 4.002 30 40 HIEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OCC)c1O[C@H](C)CC 409356615 GISZDWUDVYHCFC-MRXNPFEDSA-N 421.497 4.289 30 40 HIEB COC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C#N)C1 9446716 FBZYKXVNLYVQQC-UHFFFAOYSA-N 416.311 4.365 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)Nc3cccc(Cl)c3)c(C#N)cc2c1 19519959 FBROVASAOGDVST-UHFFFAOYSA-N 409.877 4.392 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N3CCCCC3)nc(N)c1[C@H]2c1ccc(F)cc1 20635529 POJFVARMBPPZOU-SFHVURJKSA-N 421.520 4.389 30 40 HIEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 40286807 TZBITADCRBXVEH-XOBRGWDASA-N 406.417 4.197 30 40 HIEB C=CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(c2ccc(Cl)cc2)Nc2ncnn21 59227919 AFPOAPZHQBPNTN-HXUWFJFHSA-N 422.872 4.096 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1cccc(OC)c1 59807799 INZNSNIJWOOEQF-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB Cc1cccc(NC(=O)/C(=N/Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 95011307 DDTAVQMIIPRWJN-YYADALCUSA-N 401.422 4.013 30 40 HIEB N#Cc1c(Cc2ccc(Br)cc2)nn(Cc2ccc(Cl)cc2)c1N 225840362 RMGYCTWCNOENMU-UHFFFAOYSA-N 401.695 4.392 30 40 HIEB CCOc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408780782 KJBVJXBGTGFUIG-AFUMVMLFSA-N 419.481 4.301 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408798912 GJPFTPNJETUKFT-RCCKNPSSSA-N 412.445 4.379 30 40 HIEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(I)cc1 409030535 DTLJXUBJUWXPGS-IPKBDRFQSA-N 414.062 4.005 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cn(Cc2cccc(F)c2)c2ccccc12 409352293 BUXNACIBSKLNNY-UHFFFAOYSA-N 412.424 4.126 30 40 HIEB C[C@@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl 3257073 ADAJLEITRCFYCX-HNNXBMFYSA-N 402.372 4.286 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4776964 YFHBNZGEOYAYIJ-VFNWGFHPSA-N 406.873 4.356 30 40 HIEB O=C1CCCC2=C1[C@@H](c1cccc(O)c1)n1nc(SCc3ccccc3)nc1N2 4777007 YYHBUJFTJALQQU-HXUWFJFHSA-N 404.495 4.298 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 6196376 LBNZHPCQLFKZJB-OAQYLSRUSA-N 409.482 4.009 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@@H]1c1ccccc1 7990965 GWQDTMCGVTZEPC-QGZVFWFLSA-N 411.527 4.223 30 40 HIEB Cc1cccc(C(=O)N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)c1 12418373 SYOMTUKSRXJYAU-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1[C@@H](C)Nc1ccccc1OC 32579498 YNCNEVLCYTUAJT-OAHLLOKOSA-N 421.526 4.326 30 40 HIEB COc1ccccc1-c1n[nH]c(/N=C(\O)C[C@@H]2c3ccccc3C=CN2C(C)=O)n1 48333348 YUUCOVIMDFRMRM-GOSISDBHSA-N 403.442 4.033 30 40 HIEB COc1cc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3[nH]2)cc(OC)c1OC 49551951 VWPPJOPXAOODMQ-VKAVYKQESA-N 415.449 4.407 30 40 HIEB C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)ccc3nsnc23)cc1OC 96232172 VBOKUXUDKLXXOD-CQSZACIVSA-N 414.483 4.055 30 40 HIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218499405 ZCYJWCYGXRGRLL-GBESFXJTSA-N 410.322 4.480 30 40 HIEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757886 QNAFAKRPRBJQFD-UHFFFAOYSA-N 407.426 4.232 30 40 HIEB C=CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CC2)CC1 257324273 WNYBXPGGUAVGPI-UHFFFAOYSA-N 408.567 4.279 30 40 HIEB COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O)c(I)c2)c1 408904661 MTOKSFXNCUMFCQ-QGMBQPNBSA-N 415.614 4.187 30 40 HIEB C=CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1Br 409081673 HNGALGYWVRSAGS-YHYXMXQVSA-N 401.054 4.093 30 40 HIEB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)N1CCCC1 409364145 VKGNIXWODTXPAQ-KGENOOAVSA-N 409.507 4.416 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccsc1)C2 585107195 RDQVIVFJCKVGBH-QHCPKHFHSA-N 404.539 4.000 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)/C=C(/C)CC[C@@H]1OC(=O)C=C1C 1772591045 CBKCPLQQBQROID-ILYYCWKRSA-N 416.558 4.348 30 40 HIEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 868581 XIHAGJNKSLTELD-JJXNMMKVSA-N 405.882 4.459 30 40 HIEB CCOc1cccc2cc(C(=O)/C=C/c3cc(OC)c(OC)cc3OC)c(=O)oc12 4598227 MJQAIRDNRPGPHM-MDZDMXLPSA-N 410.422 4.114 30 40 HIEB CC(C)CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 5036699 PUHBSUCOUZCDFT-UHFFFAOYSA-N 406.511 4.045 30 40 HIEB C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Br)cc2)S1)c1ccccc1 5214328 TZBFKCQJZQMBGZ-GKXUUXLPSA-N 402.317 4.003 30 40 HIEB C/C(=N\Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(Br)s1 5282628 BZPWLHPAFIEWBF-DJKKODMXSA-N 401.293 4.177 30 40 HIEB CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1 7781178 IDJOPHJFOAAFGP-WLFAEHHCSA-N 411.527 4.454 30 40 HIEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)c1C 7787254 XWSXTHSHANXOSD-UHFFFAOYSA-N 415.540 4.070 30 40 HIEB Cc1ccc(-c2noc([C@]3(C#N)Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)n2)cc1 8780098 IPYQTKGPGJMBNG-OFNKIYASSA-N 415.453 4.330 30 40 HIEB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1OCC#N 408808469 PSLIXHWCDIAWGR-UHFFFAOYSA-N 424.502 4.068 30 40 HIEB C=C(C)Cn1nc(OCC)n(-c2sc3c(c2-c2ncn[nH]2)CC[C@H](C)C3)c1=S 1428865 XGYCCAZBPUFAOM-LBPRGKRZSA-N 416.576 4.349 30 40 HIEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C 4215091 NWFOHSCPTMLQIH-GHMDXEKNSA-N 407.348 4.420 30 40 HIEB biogenic,in-vitro C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccnc1 7644481 IXQMNBGKTDOGLS-OAHLLOKOSA-N 409.515 4.037 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 8914271 CEPLLPHVXACQFL-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB COc1ccc(-c2nnc(S/C(=N/Nc3ccccc3Cl)C(C)=O)n2C)cc1 13801033 VXVPNBGWDZMDDI-PTGBLXJZSA-N 415.906 4.251 30 40 HIEB CCOC(=O)C(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1 16682098 HVSAYQAHCCQTEB-RGEXLXHISA-N 419.389 4.253 30 40 HIEB COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 19898390 JAVVBGNXWZUGRM-KSFYIVLOSA-N 418.449 4.129 30 40 HIEB N#Cc1ccc(CN2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)cc1 48344190 LCZHSZUCNRGRSP-UHFFFAOYSA-N 413.481 4.095 30 40 HIEB C=CCN1C(=O)/C(=C/c2c[nH]c3cc(OC)ccc23)S/C1=N\c1nnc(C)s1 54360812 OEOOZEMUILGZBZ-ITWSTJDGSA-N 411.512 4.126 30 40 HIEB C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 408916273 ATPYJGOLUPGFII-UDWIEESQSA-N 417.446 4.267 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OC)c(Cl)c1 409278781 FDOGMBFWFSBMKE-UHFFFAOYSA-N 420.694 4.266 30 40 HIEB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)cc12 3242011 UZCKUWACNWAHLS-UHFFFAOYSA-N 416.462 4.063 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 19999122 UDFVUQDJGNNYNI-QFIPXVFZSA-N 421.541 4.009 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1 20132815 UGVQDSNSNBCCTG-JOCHJYFZSA-N 422.525 4.005 30 40 HIEB CCN(CC)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 32682598 DAGVDJLGFSRTQO-GOSISDBHSA-N 414.918 4.168 30 40 HIEB COc1ccc(NC(=O)/C=C2/S/C(=N/C3CCCC3)N(C3CCCC3)C2=O)cc1 101686770 YPAKRBLOSCHZAV-PDQZSPQUSA-N 413.543 4.334 30 40 HIEB CO[C@]1(/C(C)=N/O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918647 FRVKEWVTLSYVMG-BCBMCODGSA-N 419.562 4.087 30 40 HIEB COc1cccc(OCc2nc(SCc3ccccc3Cl)nc(N)c2C#N)c1 223692844 YIRWTHBFMRVVON-UHFFFAOYSA-N 412.902 4.464 30 40 HIEB O=C(O)COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408532216 STUNPNPFUMYAGG-NVNXTCNLSA-N 423.277 4.348 30 40 HIEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(C)s2)C1=O 409006719 KXMOYFWJLFNCGT-WJDWOHSUSA-N 413.520 4.226 30 40 HIEB CCOc1ccccc1/C=N/N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 409228098 ZXXHVARDPHDUCQ-VLSPTERQSA-N 422.484 4.311 30 40 HIEB C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC1=S 1249134 BDPDSORVRLAYTE-CPNJWEJPSA-N 401.491 4.343 30 40 HIEB Cc1nc2c([nH]c3ccc(Br)cc32)c(=O)n1/N=C/c1ccc(Cl)cc1 2317270 RGBHJLJUTJKAQD-ZVBGSRNCSA-N 415.678 4.484 30 40 HIEB COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1 13735101 HMBHUKPONGEMAM-FQEVSTJZSA-N 422.387 4.151 30 40 HIEB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 15544748 WVHXVVAVTBLAKC-UHFFFAOYSA-N 421.478 4.010 30 40 HIEB CCN(CC)CCC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 16957342 XFNBSBJDRCRHLM-BOYKQRMESA-N 402.538 4.297 30 40 HIEB CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1 20228965 OTFWWNSJWRIXCC-QFIPXVFZSA-N 422.525 4.005 30 40 HIEB CCN(CC)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3nc(C)nn32)cc1 22608733 DXTHQXRFWZGLBM-SBUREZEXSA-N 417.513 4.441 30 40 HIEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c1C#N 26419249 ZJHWEZBPHGHCDL-AWEZNQCLSA-N 421.522 4.077 30 40 HIEB CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)Nc1sccc1C#N 32814332 FBMVMIQHNSPKLU-UHFFFAOYSA-N 412.496 4.028 30 40 HIEB COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccncc2)C3)C1=O 54333100 LXTVVDHIPRNZHT-UUYOSTAYSA-N 414.461 4.367 30 40 HIEB N#Cc1ccc(Nc2nc(C3CCN(Cc4cc5ccccc5[nH]4)CC3)cs2)cn1 585294912 LKIZNZGQAIJXTG-UHFFFAOYSA-N 414.538 5.014 30 40 HIEB COc1ccc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc1 1531224015 AHAIQBUWOXJOBX-UUYOSTAYSA-N 414.303 4.347 30 40 HIEB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)c1 862115 CHYDOPIUEPYPDC-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O 2279266 DVUYLAXSPISAPZ-UHFFFAOYSA-N 409.526 4.070 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 6134349 OQELCCXRFXEEAA-FQEVSTJZSA-N 420.490 4.320 30 40 HIEB N#CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 7706185 BEWHMAOMLRLIRM-DHZHZOJOSA-N 408.255 4.382 30 40 HIEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)COc1cc(Cl)ccc1Cl 12752070 ASCMOLJHPQAWPI-UHFFFAOYSA-N 410.301 4.337 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 14231381 HNEYAPWWZCLYNX-RQOMIGRESA-N 408.542 4.122 30 40 HIEB C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 17950619 IRUYSMYHMVMAGR-IVZQSRNASA-N 415.445 4.382 30 40 HIEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 18255127 OJPZROHXWAVZTN-LDADJPATSA-N 408.414 4.416 30 40 HIEB N#C[C@H](C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 26019315 JEGORGHZRPKVBB-CYBMUJFWSA-N 408.464 4.422 30 40 HIEB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCC#N)cc34)cs2)cc1 96037887 CGNMOIHVOGKDOJ-UHFFFAOYSA-N 404.451 4.270 30 40 HIEB N#Cc1cccc(/C=C2/CN(c3ccccn3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 97096861 PJOMHXSLDRRMEY-NQGGHMMCSA-N 402.457 4.381 30 40 HIEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222800970 JGAADHJDOFXUAO-OAHLLOKOSA-N 421.324 4.092 30 40 HIEB C=CCSc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1 223296349 VQZSEITVUFSWGR-UHFFFAOYSA-N 408.980 4.320 30 40 HIEB COc1ccc(C)cc1/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408999970 WKGTVJLLFHRXOV-WSDLNYQXSA-N 418.902 4.479 30 40 HIEB C=CCOc1c(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC 409072355 BUNSXOPRNAECRI-RGVLZGJSSA-N 421.251 4.162 30 40 HIEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)O)c3)S2)c1 4687973 WDSVCCCOMZYELL-UYRXBGFRSA-N 403.463 4.376 30 40 HIEB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238226 BCJWRGZXFBQEQK-UHFFFAOYSA-N 410.886 4.001 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 8739719 MEBWJBZRJYEVPS-LJQANCHMSA-N 424.840 4.428 30 40 HIEB C=CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCc1ccccc1F 9582402 HPPOUKZLEYHHQC-UHFFFAOYSA-N 400.454 4.216 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C 14081898 LZICIXCZAKSDRF-UHFFFAOYSA-N 409.471 4.079 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC[C@H](C)C3)C2=O)c1OC 20611527 OHEQYTWSNMRIMD-RANIVTSPSA-N 409.482 4.258 30 40 HIEB biogenic O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)CCCC3 59433772 YRZJVWLCBQOYHP-FOKLQQMPSA-N 420.450 4.387 30 40 HIEB C=CCn1cc(CN2CCc3c(O)nc(N4CCC[C@@H](C)C4)nc3C2)c2ccccc21 72335619 FVZAMHAMGYKXNE-GOSISDBHSA-N 417.557 4.118 30 40 HIEB C=CCn1c(SCc2ccc(OC[C@H]3CCCO3)cc2)nc2sccc2c1=O 89913994 BUDJHWLCVYBFQF-QGZVFWFLSA-N 414.552 4.494 30 40 HIEB COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 102799141 HCJFWSSUSURGJI-JBCNATCCSA-N 403.409 4.461 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408726488 BWVRVPKSJXZVTD-RZUIDDAMSA-N 401.249 4.394 30 40 HIEB Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2cccc(C(F)(F)F)c2)n1 619462656 XQADILIMOUBSAX-UHFFFAOYSA-N 420.416 4.066 30 40 HIEB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1 781748 YGHWIYWMVANLBP-UHFFFAOYSA-N 405.479 4.151 30 40 HIEB C#CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1OC 4458494 MAOPVIXQBHAQJK-DEOSSOPVSA-N 414.461 4.487 30 40 HIEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 6263285 FTKMHSZGGQWSMI-NRFANRHFSA-N 409.482 4.043 30 40 HIEB C=CCn1c(SCCCc2nc(-c3cccnc3)no2)nnc1-c1ccccc1 10994001 QDLICZAEDLMWGF-UHFFFAOYSA-N 404.499 4.301 30 40 HIEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1nc(-c2ccccc2)cs1 17245893 KPOVWBYKXSITCX-UHFFFAOYSA-O 401.515 4.151 30 40 HIEB CC1CCN(c2nc(SCC(=O)NCc3ccco3)c(C#N)c3c2CCCC3)CC1 20573440 MYJIFCZAQAXYLN-UHFFFAOYSA-N 424.570 4.070 30 40 HIEB CCC[C@@H](C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 32829263 FGYVZIDPHMFQSJ-KUHUBIRLSA-N 412.490 4.408 30 40 HIEB COc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3cc(C)ccn23)ccc1O 35616511 TUVBXYRLCKZKSP-ZMOGYAJESA-N 403.438 4.489 30 40 HIEB C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)n2)n[nH]c1=S 69928865 BTJCKODXXYNEDZ-ZIAGYGMSSA-N 415.519 4.055 30 40 HIEB CCOC(=O)[C@@]1(CCSc2nc(C)cc(C(F)(F)F)c2C#N)CCCC1=O 78965617 ODZLZJZQVXCRAZ-QGZVFWFLSA-N 400.422 4.065 30 40 HIEB CCCCCCCCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 97949449 TUIKKHVPRCVFLY-HSZRJFAPSA-N 406.587 4.342 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 102864591 JAUFVBUHVILHTN-JBCNATCCSA-N 418.449 4.180 30 40 HIEB CCn1c(=O)c(/C(C)=N/C2=C(C)N(C)[C@@H](c3ccccc3)C2=O)c(O)c2ccccc21 103541926 LBFJXSXFWMBDJT-WGLQLPMYSA-N 415.493 4.023 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409131828 YHLUUYMOVPJTDV-LICLKQGHSA-N 416.836 4.145 30 40 HIEB C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cccc(C)c1 409330667 LSRBZUOCAHULQE-UHFFFAOYSA-N 424.526 4.091 30 40 HIEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(OC)c1)C2 585106707 GESBQALUPVINOR-RUZDIDTESA-N 414.509 4.018 30 40 HIEB COc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1OC 1354214 XNEBJFYSHLCTSB-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccncc1 2396319 QVRYWBAEZKWKSL-UHFFFAOYSA-N 422.558 4.103 30 40 HIEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 3190555 KSCZUVNEYGVYBC-ZKKFKWFVSA-N 413.860 4.090 30 40 HIEB biogenic COC(=O)/C=C1/S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccccc23)C1=O 5274640 BKGGVTJSOOXJKG-BBWXTVSKSA-N 411.527 4.031 30 40 HIEB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(-c3ccc(C#N)cc3)cc2)nc1 6101713 SPSJWNMIJBRYLK-UHFFFAOYSA-N 407.495 4.443 30 40 HIEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)[nH]c(=O)c1C#N 6420264 PZFATRPNUSXLQI-SOFGYWHQSA-N 411.801 4.385 30 40 HIEB COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 6813378 HWDCQKFSYORCGX-IBGZPJMESA-N 406.463 4.243 30 40 HIEB CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)c(C(=O)OC(C)(C)C)c1C 12739184 PGBVLCJXTIPLJR-UHFFFAOYSA-N 414.483 4.313 30 40 HIEB Cc1c(C#N)c(NC(=O)COC(=O)[C@H](C)Oc2ccccc2)n(C2CCCC2)c1C 14776698 WDTARIXTONYDRH-KRWDZBQOSA-N 409.486 4.041 30 40 HIEB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](C)C3)c1 20059089 POAUWOIOHHPANO-CMJOXMDJSA-N 417.509 4.251 30 40 HIEB CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nc(C)c(C)c(C)c1C#N 23078527 KHRASGHKQIOJCU-UHFFFAOYSA-N 424.570 4.156 30 40 HIEB CC(C)CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O 57426067 ADGPIUGLGNUNCB-UHFFFAOYSA-N 412.540 4.107 30 40 HIEB N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 58561682 WTWIZSXXTSYTQO-UHFFFAOYSA-N 417.534 4.126 30 40 HIEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccccc1F 100226863 HGRHQZVIAWDNMY-JUAGQRJUSA-N 400.475 4.335 30 40 HIEB N#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1 408918130 GMZBWJUCAUJRSS-LQDNNDEMSA-N 410.860 4.305 30 40 HIEB NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1C1CCCCC1 3171574 HBDZFMBJNMFIMG-UHFFFAOYSA-N 418.360 4.417 30 40 HIEB COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 4993306 KTGDQVNBWXEJII-QFIPXVFZSA-N 404.466 4.007 30 40 HIEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 15946099 ZJODQMSKFATHEJ-HBRDYDSTSA-N 421.880 4.383 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C(C)C)C1 19085119 MFDZRIOUKKYTHK-VWLOTQADSA-N 408.517 4.212 30 40 HIEB O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35646780 DNQVDOJDDYRZRY-WQRHYEAKSA-N 407.407 4.452 30 40 HIEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 60032857 LAAXWIULCWTINV-UHFFFAOYSA-N 409.829 4.425 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C(\c2ccc(F)cc2)n2c(C)nc3ccccc32)cc1 100769491 WGVJRSDANQSQQC-YYDJUVGSSA-N 407.470 4.476 30 40 HIEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)n1-c1ccccc1Cl 408591470 UDWIBTVBBQYOEG-ZCBCLFJWSA-N 419.912 4.135 30 40 HIEB C=CCc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(OC)c1O 409202474 QYOQVZJCGRDHHT-BOPFTXTBSA-N 400.525 4.085 30 40 HIEB C=CCO[C@@H]1CC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)c2cc(C)ccc21 585105631 KRYMBPHBJYKQNX-LJQANCHMSA-N 415.484 4.488 30 40 HIEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=S)NCc1ccccc1 3314460 AMXAWTHTJZPKBV-ZMOGYAJESA-N 411.962 4.200 30 40 HIEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)S2)cc1 3639619 IFRJTLKJMLMLCQ-ODLFYWEKSA-N 405.479 4.180 30 40 HIEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6784121 FHCACVMMYAAVTJ-OAQYLSRUSA-N 403.434 4.457 30 40 HIEB COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 8743606 NWTIDBJLCIGLBN-LJQANCHMSA-N 424.840 4.428 30 40 HIEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br 11400016 UEVSRYZEWUUIPW-SNVBAGLBSA-N 424.092 4.489 30 40 HIEB Cc1ccc2nc(C)c(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2c1 12982928 IDVLHBDCXIOTRC-HSZRJFAPSA-N 402.473 4.013 30 40 HIEB N#CCCN(Cc1ccco1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 19316652 OMZXKKXLQXVNMT-UHFFFAOYSA-N 422.868 4.485 30 40 HIEB Cc1ccc(Cn2cc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c3ccccc32)cc1 409219983 SIQPAMPLSRLSBV-ZOTANKTPSA-N 409.489 4.139 30 40 HIEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O)ccc2ccccc12 409284228 UQEOYIHJVBOORR-UHFFFAOYSA-N 408.255 4.208 30 40 HIEB CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1 856673 REDWOKIPBOARTP-INIZCTEOSA-N 419.275 4.224 30 40 HIEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 1354411 JJZHHNAZHFHFQK-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB COc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N/c2cc(C)cc(C)c2)NC1=O 6824324 FYXDZLJVBXVTEY-KRWDZBQOSA-N 417.918 4.213 30 40 HIEB CCOC(=O)COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197067 XXCYMYLRHUTNBK-LSHDLFTRSA-N 411.285 4.068 30 40 HIEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1Cl 13684335 AWEKGYZEHBNUFE-UHFFFAOYSA-N 423.694 4.036 30 40 HIEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13712708 VKFAIYIJLWRCSB-LJQANCHMSA-N 422.934 4.088 30 40 HIEB Cc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](C)CC1=O)N2 14608138 YNDWEJAJKNZPCF-IQMFZBJNSA-N 400.482 4.434 30 40 HIEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1OC 20196737 XPBSQLJAXBZSNW-AFUMVMLFSA-N 422.485 4.452 30 40 HIEB C=CCn1c(SC[C@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 26118310 WSCVFRVMKOKWAN-HNNXBMFYSA-N 422.539 4.422 30 40 HIEB C=CCOc1c(Br)cc(/C=N/NC(=S)Nc2ccccc2)cc1OC 28218077 LKJKBHAJSVFRDO-UDWIEESQSA-N 420.332 4.343 30 40 HIEB C[C@H](Oc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)O 33746722 XPXQYTMSYFEEPC-RCEBRVLHSA-N 402.859 4.084 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc2cc1OC 35288616 YGYFFNAORPFWDX-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB CCc1ccc([C@@H]2/C(=C(\O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 102880730 PCOMPDGYHQYFRK-HOGKFDNTSA-N 423.509 4.024 30 40 HIEB COc1cccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1 408574920 GNNVEXSMDYBTQG-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1[N+](=O)[O-] 408860537 XUJKYVBTMMQPTG-PXNMLYILSA-N 403.847 4.457 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1OCc1ccccc1Cl 409141949 OXFRJYUJQNRDTG-JOAOOESESA-N 420.896 4.450 30 40 HIEB COc1ccc(C(=O)Nc2sc(C(=O)Nc3ccccc3OC)c(C)c2C#N)cc1 838372 CKNJZTPAKPMOKU-UHFFFAOYSA-N 421.478 4.450 30 40 HIEB C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 1771672 VNFOILPMULUSKF-AQTBWJFISA-N 410.520 4.106 30 40 HIEB C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 2700598 XFSANHVXIRLBRL-MTMYEVCSSA-N 411.504 4.279 30 40 HIEB COc1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1OC 3153405 QFKYBINTCNYOGL-QGMBQPNBSA-N 417.630 4.418 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1OC 6473106 RWLPQBFUSOWXOG-UHFFFAOYSA-N 408.527 4.103 30 40 HIEB N#CCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2cc3ccccc3o2)n1 6860052 WKJOTLSPHITKHJ-UHFFFAOYSA-N 401.382 4.370 30 40 HIEB C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1cccnc1 8472336 VOPVWFLKEYVESY-UHFFFAOYSA-N 404.499 4.431 30 40 HIEB Cc1cc(C)c(C#N)c(Sc2sc(Br)c([N+](=O)[O-])c2[N+](=O)[O-])n1 15022590 QMFAILHNEADOTB-UHFFFAOYSA-N 415.250 4.362 30 40 HIEB CN/C(=N/Cc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 17747688 UMGGIKPQVRWVBR-INIZCTEOSA-N 422.337 4.134 30 40 HIEB CN1/C(=C\C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)C(C)(C)c2ccccc21 18066103 KGGBQCZYPBTKRJ-UNOMPAQXSA-N 415.522 4.479 30 40 HIEB Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1 100871283 JGLNEYZMCHAXFN-PUOGRZEHSA-N 402.498 4.184 30 40 HIEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102401878 QTIJXPOVLWVMBK-CVCLFZMUSA-N 405.494 4.411 30 40 HIEB COc1ccc(CN2C(=N)[C@H](C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3)cc1 224107880 UETHKOOPLSSYMI-NBGIEHNGSA-N 412.493 4.346 30 40 HIEB CN(C)c1ccc(/N=C(/C#N)C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 4867568 ASRLARLJRVHJGX-QOMWVZHYSA-N 400.486 4.110 30 40 HIEB CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 6142355 WJZBJGAIQHLMNQ-OLIBUNOHSA-N 421.353 4.224 30 40 HIEB C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)cc1OC 12111611 RBCBNKLCDGOCHL-QFIPXVFZSA-N 417.461 4.406 30 40 HIEB COc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1OC 12464048 MWMAVHOXJNWEST-IMRQLAEWSA-N 413.521 4.425 30 40 HIEB C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 12876167 XHWJEUDZOHYBMJ-BBRMVZONSA-N 413.503 4.336 30 40 HIEB Cc1ccc(-c2csc(NC(=O)C[n+]3cc(-c4ccccc4)n4c3CCC4)n2)cc1 13786680 XQYBLDYGEVZAHV-UHFFFAOYSA-O 415.542 4.459 30 40 HIEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)c(OC)c1OC 18196822 WFMUXIGREVPQJT-HXUWFJFHSA-N 409.438 4.006 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(OC)ccc1OC 20633256 UYYWSBOFMJOSBR-NRFANRHFSA-N 405.454 4.072 30 40 HIEB C=CCn1c(C)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S 22816363 BHKMOEQYRCAZNP-UHFFFAOYSA-N 419.598 4.273 30 40 HIEB Cc1ccc([S@@](=O)ONc2cccc(NO[S@@](=O)c3ccc(C)cc3)c2)cc1 61953127 MTPOWXWBQQEOKL-HNRBIFIRSA-N 416.524 4.436 30 40 HIEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218499072 AXGRQVBVMOVQIA-GBESFXJTSA-N 410.322 4.480 30 40 HIEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(C)c2)cc1 409123419 GFMQHUBKJBNDRF-NRFANRHFSA-N 419.477 4.038 30 40 HIEB Cc1cccc(O)c1/N=C/c1cc(Br)c(O)c(Br)c1O 1445066 LGVRDQQMUNBVPH-UBKPWBPPSA-N 401.054 4.387 30 40 HIEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)S2)c1C 7043464 UZUUKXYXAHOIPC-MFOYZWKCSA-N 416.886 4.312 30 40 HIEB O=C1N/C(=N/N=C/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 8427418 WRRPXWQDVKGYDQ-GFOZJHCUSA-N 421.265 4.496 30 40 HIEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1 17092103 CADHKVIKFMONQW-KEBDBYFISA-N 420.332 4.437 30 40 HIEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 20150148 BMZKTYYVPOLHGR-HXUWFJFHSA-N 424.884 4.226 30 40 HIEB COc1ccc2c(c1)c(/C=C1\Oc3cc(OCC(=O)OC(C)C)ccc3C1=O)cn2C 28182680 IULWZIPXBFHABD-AFPJDJCSSA-N 421.449 4.134 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 32682590 KOTLMTAXOIOGPQ-OAQYLSRUSA-N 420.538 4.357 30 40 HIEB COc1ccccc1N1CCN(C[C@@H](S)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 57600764 RLRPQSHQFUGEOP-XUVXKRRUSA-N 406.636 4.347 30 40 HIEB CCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 68741025 ZBEJVWLRXRDRKU-UHFFFAOYSA-N 421.478 4.010 30 40 HIEB CCOC(=O)[C@]1(CCSc2nc(C)cc(C(F)(F)F)c2C#N)CCCC1=O 78965608 ODZLZJZQVXCRAZ-KRWDZBQOSA-N 400.422 4.065 30 40 HIEB CCCC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O 101219152 MJCLIFNCNGDXDK-MKSIGINJSA-N 402.541 4.379 30 40 HIEB C=CCOc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225833713 QYYGOWMWYOAGBY-UHFFFAOYSA-N 400.891 4.441 30 40 HIEB COc1cc(/C=N\O)cc(I)c1OCc1cccc(Cl)c1 226364340 ARHJWUAFOWKBSO-LSCVHKIXSA-N 417.630 4.340 30 40 HIEB Cc1c(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c2ccccc2n1C 409060978 XLZSOOGXVFBIPP-FFXWWKDOSA-N 405.479 4.419 30 40 HIEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)cc1 409099208 KCHGIPKVGVIPDY-QNGOZBTKSA-N 407.539 4.286 30 40 HIEB COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409385480 MGSYXPATAKRWGV-FSJBWODESA-N 409.394 4.103 30 40 HIEB CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCc2ccccc21 2205893 WUNCAOPETINDQA-PYCFMQQDSA-N 402.292 4.190 30 40 HIEB C=CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 2487004 VHESZMBFMHWHBA-FQEVSTJZSA-N 414.527 4.101 30 40 HIEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 2743040 MKFNAAKGCHJGNS-NTEUORMPSA-N 404.245 4.249 30 40 HIEB C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 4812083 WVZBAMUVPGMXKT-GFCCVEGCSA-N 402.589 4.462 30 40 HIEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(C(C)C)cc1 5785271 DRFJCWBAHGZAIN-KGENOOAVSA-N 418.519 4.195 30 40 HIEB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(C#N)cc2F)cc1 6630405 NNWFGZLADSHZRJ-UHFFFAOYSA-N 403.413 4.116 30 40 HIEB C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 7987734 AKXVJIMFDAUTLH-UHFFFAOYSA-N 414.505 4.307 30 40 HIEB CCOc1c(Br)cc(Cl)cc1NCC(=O)NC1(C#N)CCCCC1 10945197 PXOUDFLNOFYUOQ-UHFFFAOYSA-N 414.731 4.256 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)Nc3cccc(C(C)=O)c3)nc2cc1OC 35288747 IKODHSFOZDPFEG-UHFFFAOYSA-N 421.478 4.057 30 40 HIEB C=CCN(Cc1ccc(C(=O)N(CC)CC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224481166 OMSAWLAJAVKHGM-UHFFFAOYSA-N 420.962 4.199 30 40 HIEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC(C)C)c1 409289128 KXMZHLSMTNPOOB-UHFFFAOYSA-N 414.303 4.391 30 40 HIEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 677263 XFEFQFNMOJQUFT-UHFFFAOYSA-N 405.907 4.347 30 40 HIEB CCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1 1408097 NYUQGJYYADXPKQ-YDZHTSKRSA-N 408.439 4.463 30 40 HIEB C=CCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1 2274018 YTINQDLYUJJSDO-FOKLQQMPSA-N 423.270 4.087 30 40 HIEB COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 3358980 NSFHKCWSUNHUMV-JOCHJYFZSA-N 400.434 4.049 30 40 HIEB CCCOC(=O)c1ccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 5238271 YZSIEQGLBUSNAJ-UHFFFAOYSA-N 419.506 4.476 30 40 HIEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 5348394 QNMHABXSEQJSCB-HXUWFJFHSA-N 412.449 4.187 30 40 HIEB N#Cc1c(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn2ccccc12 14728645 NGQKHZKAYSHBQA-UHFFFAOYSA-N 404.426 4.066 30 40 HIEB C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1SCC(=O)OCC 17088381 WGKDNXRJBXTFBH-UHFFFAOYSA-N 409.939 4.093 30 40 HIEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 33011217 HFBRHNPSODYHHF-UHFFFAOYSA-N 420.450 4.268 30 40 HIEB COc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc(OC)c1 34791516 OATHMGFCLVCFFY-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB Cc1c(C(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 77099683 RMOSGWNNFTUWOY-UHFFFAOYSA-N 414.509 4.121 30 40 HIEB COc1ccccc1N(C(C)=O)c1nc(COc2cc(C)nc(C)c2C#N)cs1 84076942 POPCKSRCKJGOPZ-UHFFFAOYSA-N 408.483 4.299 30 40 HIEB C=CCOc1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 408706106 VJEKKAJXHICNCP-UHFFFAOYSA-N 416.543 4.053 30 40 HIEB CCOC(=O)COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409068236 IBZNKZXYYHSFIV-LSHDLFTRSA-N 411.336 4.002 30 40 HIEB CC(C)=C[C@H](O)C(=O)[C@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)/C=C(/C)CC[C@H]1OC(=O)C=C1C 1772591046 CBKCPLQQBQROID-MAXVCHBVSA-N 416.558 4.348 30 40 HIEB COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)ccc2C#N)cc1 662135 DSQOQMIOKONMTR-UHFFFAOYSA-N 405.479 4.368 30 40 HIEB COc1ccccc1/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3168788 TWCDSZWOKCAVJY-LPYMAVHISA-N 421.365 4.481 30 40 HIEB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](C)CC2=O)N1 4386940 PCROMNAQUTYGCC-IQMFZBJNSA-N 416.525 4.000 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1cccs1 4576435 ALBHJJOCCAIFDV-SFHVURJKSA-N 406.419 4.439 30 40 HIEB N#Cc1cnc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1N 4733125 VAENJFRGHCTVFU-UHFFFAOYSA-N 419.554 4.129 30 40 HIEB Cn1ccnc1Sc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 6315494 ZTOHSRIOOQOENW-KRXBUXKQSA-N 410.411 4.284 30 40 HIEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1C#N 8437674 QQCAVQJSVOHHOY-YSURURNPSA-N 424.844 4.466 30 40 HIEB CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 9805649 TWAYSZFEKLLVOI-NVNXTCNLSA-N 416.227 4.042 30 40 HIEB O=S(=O)(c1ccc(-c2csc(N/N=C/c3cccs3)n2)cc1)N1CCCC1 15227848 HLLKPMHVWNLQSG-XDHOZWIPSA-N 418.569 4.102 30 40 HIEB O=S(=O)(N/N=C\c1cc(Cl)ccc1O)c1cc(Cl)c(Cl)cc1Cl 17379857 CVECOZAJZRETHT-FXBPXSCXSA-N 414.097 4.318 30 40 HIEB Cc1cc(C(=O)COc2ccc(CC#N)cc2)c(C)n1C[C@H]1COc2ccccc2O1 25053983 IAUFGUKWPSQWGP-NRFANRHFSA-N 416.477 4.273 30 40 HIEB COC(=O)c1ccc(CSc2nnc(/N=C/c3ccc(N(C)C)cc3)s2)cc1 100969640 PPJSAFRQMZZQGE-CIAFOILYSA-N 412.540 4.434 30 40 HIEB CCOc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 102725858 VOCWVNDDXDGXRT-GHNGSUTGSA-N 410.451 4.070 30 40 HIEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1O 408964378 RECUQIWZJCLURK-KPKJPENVSA-N 410.238 4.499 30 40 HIEB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1 409017873 WASFLRVPEMXCJJ-IWIPYMOSSA-N 418.522 4.333 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1 3485201 JCEIJEDAVDXOQP-HXUWFJFHSA-N 404.539 4.417 30 40 HIEB C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1 3560800 QBXOKYOLILXLGX-UHFFFAOYSA-N 413.524 4.085 30 40 HIEB N#CC1(NC(=O)COC(=O)CSc2cccc3cccc(Cl)c23)CCCCC1 5468837 DBIBRKVNJJAFED-UHFFFAOYSA-N 416.930 4.471 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5868766 STSHDNCIXSKQNE-MRXNPFEDSA-N 410.543 4.258 30 40 HIEB COc1ccc(-c2n[nH]c(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)n2)cc1 6141539 ZBPKULZZLDWOFP-UHFFFAOYSA-N 421.526 4.136 30 40 HIEB C=CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1 6881249 GBWGQGOOFBJHTR-UHFFFAOYSA-N 405.479 4.436 30 40 HIEB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N 8389017 IQYUCCAEIFKJKU-GFCCVEGCSA-N 405.366 4.021 30 40 HIEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccccc1[N+](=O)[O-] 12275674 BOXVVCMLUWZEPU-NKFKGCMQSA-N 420.454 4.217 30 40 HIEB CCOC(=O)c1ccc(N/N=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1 28294285 JLZSNAMCRSVAAF-UQQQWYQISA-N 418.375 4.073 30 40 HIEB CCCCCCCCC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2 100420683 TUXFHUVRAANBOC-NRFANRHFSA-N 416.562 4.041 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)c(Cl)c3)N(C)C2=O)cc1 101650456 UEPGNUWXIWKGTL-IHIJCHFRSA-N 405.882 4.378 30 40 HIEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)/C1=C(\O)c1ccco1 102732792 PQUDGBSFMNKUHN-IDTYTIONSA-N 416.220 4.003 30 40 HIEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccc(F)c1 103436841 ZMCNEAHZMCKXBD-LYBHJNIJSA-N 410.246 4.433 30 40 HIEB Fc1cnc(NN=Cc2c3ccccc3cc3ccccc23)nc1N1CCOCC1 408730742 UXMAKXZORQGUGR-UHFFFAOYSA-N 401.445 4.205 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@@H]2c1ccccc1 2211534 RBXXALBHMDCCMU-LJQANCHMSA-N 423.476 4.354 30 40 HIEB C=CCc1cc(/C=C2\C(=N)N3N=C(CCCCC)SC3=NC2=O)cc(OC)c1O 4599589 CMLXNYFORKFYGQ-AJKGDLJRSA-N 412.515 4.329 30 40 HIEB CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1OC 5268449 BGMPWWUVWJHWQM-UZUQRXQVSA-N 416.481 4.101 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc2ccccc12 6238897 XKCWOWWFSMQCLJ-QFIPXVFZSA-N 401.462 4.455 30 40 HIEB C=CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 7037474 ZLMJVLZBMGCZLT-UHFFFAOYSA-N 412.536 4.355 30 40 HIEB C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 9883734 RFCROXZUAILQAD-SFHVURJKSA-N 424.482 4.436 30 40 HIEB COC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 19859107 BYAUPCVFVJCQOO-DHDCSXOGSA-N 405.281 4.361 30 40 HIEB CN1/C(=C\C(=O)COC(=O)/C=C/c2cnc3ccccc3n2)C(C)(C)c2ccccc21 33388730 SJAIZHKWZYFOJC-DJGYLYFHSA-N 413.477 4.067 30 40 HIEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)c1 225725277 GMVOMGXROABCNK-IBGZPJMESA-N 404.557 4.093 30 40 HIEB CCOc1ccccc1/C=N/N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 409228093 ZXXHVARDPHDUCQ-BEGRVCHPSA-N 422.484 4.311 30 40 HIEB CCN1C2=CC(=NC(C)=O)C=CC2=S=C1C=C1C=Cc2cc(OC)ccc2N1CC 1857621674 UWXGHUIJYSXLNP-UHFFFAOYSA-N 419.550 4.244 30 40 HIEB CCOc1ccc2nc(SCC(=O)c3cc(OC)ccc3OC)c(C#N)cc2c1 907392 ZYOBNBKPLZATHD-UHFFFAOYSA-N 408.479 4.497 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccccc1F 2623876 ZHPVYCUKAZEKQD-UHFFFAOYSA-N 422.407 4.418 30 40 HIEB CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 6142354 WJZBJGAIQHLMNQ-VBHHZLGVSA-N 421.353 4.224 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 6382597 FYTLKZOOHNWGGB-FQEVSTJZSA-N 404.422 4.083 30 40 HIEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(OC)cc3)c(C)c12 6756126 XBGVGOYCWTUHGX-UHFFFAOYSA-N 421.493 4.232 30 40 HIEB COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccccc3OC)cc2)cc1 12605846 YHEMWAGIGMDORC-CXUHLZMHSA-N 423.490 4.401 30 40 HIEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13712711 VKFAIYIJLWRCSB-IBGZPJMESA-N 422.934 4.088 30 40 HIEB C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN(C2CCCC2)C2CC2)c1=S 32923191 UUFQCDSVFTVNTQ-FQEVSTJZSA-N 412.559 4.477 30 40 HIEB COc1c(O)c(Br)cc(/C=C2\Sc3ccccc3C2=O)c1[N+](=O)[O-] 35104221 ACNIXCZWBAFURJ-GHXNOFRVSA-N 408.229 4.401 30 40 HIEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455987 AYUWBYOVTNSKMM-MHECFPHRSA-N 403.530 4.073 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccc2)cc1OC 100302876 ZFUUNIQSUBNLDS-HOGKFDNTSA-N 415.445 4.330 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc3cc(OC)ccc3n2)S/C1=N/c1nccs1 101227713 IAVQZPFTSDUAEZ-RZPAUPBHSA-N 408.508 4.490 30 40 HIEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 101662469 UCRBYHZHHJXKSS-LJQANCHMSA-N 413.440 4.315 30 40 HIEB CCOC(=O)[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218382640 GDWCWRWHYGOYFG-AOIWGVFYSA-N 424.305 4.006 30 40 HIEB C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224874322 CXPBKZVLUVAINS-UHFFFAOYSA-N 410.333 4.456 30 40 HIEB O=C(O)COc1cccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1 408748899 IVKVRQCJOLHUSC-VIZOYTHASA-N 423.277 4.348 30 40 HIEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 2055404 RXSWFYBWRJQYQZ-LJQANCHMSA-N 419.905 4.365 30 40 HIEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O 2341020 XEXLJSHWDUUMJS-IIGRLWHBSA-N 411.527 4.338 30 40 HIEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc(OC)cc(OC)c1 4943540 OWRVUUNAYZFFIV-UHFFFAOYSA-N 413.861 4.236 30 40 HIEB C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 5776448 MYJRAZSUWNIBJX-JSGCOSHPSA-N 404.605 4.310 30 40 HIEB C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCCO 6415715 JREAFELZSSHHGP-FPVCRCAZSA-N 403.563 4.246 30 40 HIEB OCCSCC/C(=N/N=C(/CCSCCO)c1ccccc1)c1ccccc1 8653467 ZLNPVJFWPXYFSD-SXAUZNKPSA-N 416.612 4.111 30 40 HIEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1 18009872 LAZAXLWGJYLTNH-QFIPXVFZSA-N 422.525 4.005 30 40 HIEB CCCCCCCC1CCC(C(=O)N[C@H](C(=O)NCC(=O)OCC)[C@@H](C)CC)CC1 97995702 JCJDRNGOGNQUKC-OBMFMMATSA-N 424.626 4.364 30 40 HIEB COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)c1 102579053 FVUALOSPKKEIAI-AYWGPLOBSA-N 413.473 4.360 30 40 HIEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 102711889 QVHJJJYLZBMAEF-HOGKFDNTSA-N 423.509 4.098 30 40 HIEB N#Cc1c(Cc2ccc(Cl)cc2)nn(Cc2ccc(Br)cc2)c1N 225843374 SMVJNNITELRNMG-UHFFFAOYSA-N 401.695 4.392 30 40 HIEB C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(Cl)cc1 409326645 CYDHFMRMIQMRAK-UHFFFAOYSA-N 416.909 4.479 30 40 HIEB COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1Br 940338 LRYOTCACIFJCQV-KEBDBYFISA-N 403.305 4.224 30 40 HIEB N#CCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccc1 3245575 NPMQJUUJLBWPSX-UHFFFAOYSA-N 413.477 4.217 30 40 HIEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1 4696386 ABNIYDTWWMFBAN-LICLKQGHSA-N 416.886 4.257 30 40 HIEB CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](C)CC2=O)N1 4802965 OZCOCGDLJJYMQA-JLCFBVMHSA-N 405.473 4.382 30 40 HIEB CCOc1ccc(/N=C2\NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)cc1 5692857 XFVBZNFJSRKAAO-IBGZPJMESA-N 412.559 4.411 30 40 HIEB CCN/C(=N\c1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 5715741 GRQLQCMTHXYJIV-KRWDZBQOSA-N 417.918 4.011 30 40 HIEB O=[N+]([O-])c1cc(/C=N/c2cccc(-c3nc4cccnc4o3)c2)c(O)c([N+](=O)[O-])c1 6444524 DIRUXNDMWRQXLN-UFFVCSGVSA-N 405.326 4.162 30 40 HIEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 9085998 HZVHCVRUAVFONP-SFHVURJKSA-N 417.446 4.376 30 40 HIEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F 20131575 QSYNOSDIYRWIGQ-NRFANRHFSA-N 422.456 4.102 30 40 HIEB O=S(=O)(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 59401615 DLQXBFRMHQLIST-HYARGMPZSA-N 400.887 4.231 30 40 HIEB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1SCc1ccccc1 59489947 LPSVQPRJHJOXJH-LPYMAVHISA-N 410.503 4.207 30 40 HIEB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 100129405 YJJUWHCQQJXVDG-ICSRJNTNSA-N 402.494 4.285 30 40 HIEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102875516 MDZRXUWIQNBOSD-NHFXJNLRSA-N 418.405 4.118 30 40 HIEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102880981 QZASJCFAWQUTBM-CEKHLOFYSA-N 411.885 4.249 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)C)CC1 257237737 HHXWYDFHOBUUOU-UHFFFAOYSA-N 404.554 4.463 30 40 HIEB COc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(N3CCN(C)CC3)c2C#N)cc1 3105989 CBFCDLIRJVRIIP-UHFFFAOYSA-N 419.916 4.096 30 40 HIEB N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2 3293269 QSAUGYBRKADUSF-UHFFFAOYSA-N 424.551 4.278 30 40 HIEB O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCCN1C(=O)c1cccs1 12997684 QTRIXGXGKRJZLY-OAQYLSRUSA-N 400.503 4.391 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1Cl 102501133 OYTYVXKMVZWOHR-YDJIHCHBSA-N 420.852 4.370 30 40 HIEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 223719097 DDAYYFRZAOXGSM-UHFFFAOYSA-N 416.326 4.388 30 40 HIEB COc1ccccc1NC(=O)c1sc(NC(=O)COc2ccccc2)c(C#N)c1C 838377 DSNKXWQXECEEPQ-UHFFFAOYSA-N 421.478 4.207 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccccc1OC 2446617 TYVQTEAMBAHNOE-UHFFFAOYSA-N 412.490 4.318 30 40 HIEB Cc1cc2nnc(SCC(=O)N(CCC#N)c3ccc(F)cc3)n2c2ccccc12 9637684 FPFXHWXXMGCHEO-UHFFFAOYSA-N 419.485 4.369 30 40 HIEB C=CCn1c(SCC(=O)N[C@H](C)c2cccc(Cl)c2)nc2ccccc2c1=O 9996169 GYNMVFNVNSQKPV-CQSZACIVSA-N 413.930 4.205 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 12662838 LRLZYGINRNOTCS-WQRHYEAKSA-N 406.415 4.370 30 40 HIEB biogenic C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 13057647 DRLUYBMHXNXYOD-GASCZTMLSA-N 404.967 4.381 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1 13212205 NXLUGOAKYFPKCE-OAQYLSRUSA-N 416.433 4.018 30 40 HIEB COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1OC 20195893 JMJGFQJVYKLXQG-WYMPLXKRSA-N 414.845 4.439 30 40 HIEB N#CCn1c(CN2CCc3ccccc3C2)nc2scc(-c3ccccc3)c2c1=O 23936447 UNFUUHHKAZTDHZ-UHFFFAOYSA-N 412.518 4.207 30 40 HIEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1ccccc1F 33794886 LCQUARKXWJNWIM-QFEZKATASA-N 408.429 4.403 30 40 HIEB COc1ccccc1NC(=S)NCCNc1nc2c(C)c(C)ccc2cc1C#N 35291960 LPDXIVSHRDMFLT-UHFFFAOYSA-N 405.527 4.130 30 40 HIEB CCCCc1nc(NCCNC(=O)c2cccs2)c(C#N)c2c1COC(C)(C)C2 95478573 JJBUBVWGJWCXMM-UHFFFAOYSA-N 412.559 4.051 30 40 HIEB Cc1ccc(/N=C2/S/C(=C/C(=O)O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 101379783 WZGRUQNDQDZEMY-DBPHPPTCSA-N 405.479 4.250 30 40 HIEB C=C1C(=O)O[C@@H]2CC(C)=C([C@H](C)CCCOC(C)=O)[C@H](OC(=O)C[C@@H](C)CC)[C@H]12 253370708 VARCUXZWTHLZBR-JLRGWOEFSA-N 406.519 4.132 30 40 HIEB biogenic,in-vitro COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1O 408730904 JZFCKKLXUQGFGO-JOCHJYFZSA-N 416.502 4.214 30 40 HIEB Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl 2223593 XEZWVLOSARPKIF-VFOOBRQFSA-N 405.882 4.378 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3550798 DWPIRVVBEVXGHN-KGLIPLIRSA-N 419.616 4.022 30 40 HIEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 6134343 SYZPAHNAZRRPKG-FQEVSTJZSA-N 420.490 4.320 30 40 HIEB COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC(F)F 7586492 GHLNWPGOMZWFFS-QHHAFSJGSA-N 407.388 4.168 30 40 HIEB Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccccc3Cl)nc2C#N)CC1 12418317 SANPQUKQIMIRCQ-UHFFFAOYSA-N 406.873 4.138 30 40 HIEB CCCCc1[nH]c(SCC(=O)Nc2[nH]c(CCSC)c(C)c2C#N)nc1C 15082920 KOZALAFWSZTTLR-UHFFFAOYSA-N 405.593 4.205 30 40 HIEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)n1nnnc1N2 18196288 AOQIILXAEICVTE-HUTHGQBESA-N 418.309 4.457 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C(C)C)C1 19235445 YNLBYAAWLOFCJY-SANMLTNESA-N 404.554 4.381 30 40 HIEB CC1(C)Cc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)C(C)(C)N1 19854903 LZFKLFASYCWNLO-BHGWPJFGSA-N 420.542 4.049 30 40 HIEB CC1(C)CC(=O)C(=CNc2cccc(N[C@@H]3CC(C)(C)CC(=O)[C@@H]3C#N)c2)C(=O)C1 20095853 ONHHGCWTLSCVFB-IEBWSBKVSA-N 407.514 4.250 30 40 HIEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 20647414 PQNULEWZBCSFOT-NNMJQWOPSA-N 421.493 4.273 30 40 HIEB Cc1ccc2cc(C#N)c(N3CCCN(C(=O)NCc4ccccc4)CC3)nc2c1C 35291404 YZSBDPMGNWRYGW-UHFFFAOYSA-N 413.525 4.145 30 40 HIEB O=C1NC(=Nc2ccc(I)cc2)S/C1=C/c1ccccc1 408751837 CQTXBPOEGUXPJX-GXDHUFHOSA-N 406.248 4.183 30 40 HIEB CC(C)CNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc12 2253168 MQSLCNLUSYIDJI-RPPGKUMJSA-N 420.904 4.088 30 40 HIEB CC(=O)Nc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 3112528 UHSLCGCFRCDXFO-HZHRSRAPSA-N 408.479 4.472 30 40 HIEB C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 4507426 UBPNSNDLVDOMRG-AVSIYSEJSA-N 411.299 4.078 30 40 HIEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 5079518 ITDOFTCMHQASME-FQTAANOTSA-N 423.509 4.288 30 40 HIEB COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3cccnc3)cc2OC)cc1 6640773 UEZPTNYPFACBTH-YRNVUSSQSA-N 403.434 4.352 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nonc2N[C@H]3c2ccc(OC)cc2)cc1 12407375 XFKLBKDCJYFOQF-BTYIYWSLSA-N 418.453 4.066 30 40 HIEB COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1 19138712 HSMVEYMWWRDRSB-NRFANRHFSA-N 400.434 4.182 30 40 HIEB Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1 20135571 SZHQSVSPASSAGX-QFIPXVFZSA-N 418.493 4.271 30 40 HIEB Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 32828815 VJNMYJPLGVKCOQ-HXUWFJFHSA-N 406.511 4.331 30 40 HIEB CC(C)(C)C(=O)/C=C(/CSc1nnc(-c2cccs2)n1CC(N)=O)C(C)(C)C 58169367 DPTKDXCWJIKGEA-RAXLEYEMSA-N 420.604 4.172 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 102875909 FTGFLBUJVUXGOK-NHFXJNLRSA-N 420.852 4.370 30 40 HIEB Oc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 113862382 ARDUYFVXWLUBQV-FRKPEAEDSA-N 418.028 4.216 30 40 HIEB CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253505027 HKTPWOIJKNNTFE-AVBQYRTISA-N 414.615 4.167 30 40 HIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408589205 KZNAWRBDQIYFHF-WSDLNYQXSA-N 404.430 4.333 30 40 HIEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O[C@@H](C)CC 409404039 JVRVGLSLCNVZEI-GTZSGAPKSA-N 416.905 4.057 30 40 HIEB N#CCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 409410783 PVYNFLVTKZKGBZ-QHCPKHFHSA-N 417.490 4.372 30 40 HIEB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CCCCC1 5533967 LTWCNFNFBVZTEM-UHFFFAOYSA-N 418.475 4.136 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)c1 8740978 WLGNFZJXEKDATL-IBGZPJMESA-N 424.840 4.428 30 40 HIEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 12566115 TWGDZOHJDZOWOK-HZHRSRAPSA-N 421.478 4.177 30 40 HIEB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)c3C#N)c2C)cc1C 48264745 PPPCDZRLEYUXBQ-UHFFFAOYSA-N 405.527 4.117 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102875039 HBQPFNLKRDMCGG-NHFXJNLRSA-N 420.852 4.063 30 40 HIEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218498985 AXGRQVBVMOVQIA-FHWLQOOXSA-N 410.322 4.480 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Cl 409228025 SRWLADPJCMJWSG-GXDHUFHOSA-N 400.283 4.078 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(C)cc1 409343520 DSEIUXIUGCLSPY-UHFFFAOYSA-N 423.498 4.387 30 40 HIEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)c(Br)c1 409401674 DZNCWAWNPYDLKA-UHFFFAOYSA-N 420.266 4.414 30 40 HIEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 6078832 PKRRKWUSDPIJLV-UHFFFAOYSA-N 400.837 4.344 30 40 HIEB Cc1csc([C@@H](C#N)C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)n1 6648675 OYIJEKIIOTUTIG-KRWDZBQOSA-N 404.447 4.313 30 40 HIEB CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccc1C 7044734 JMXFGHWBCOSIPB-QGZVFWFLSA-N 411.575 4.439 30 40 HIEB C=CCS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8187900 AWHGUKSRLXBCCZ-UHFFFAOYSA-N 421.522 4.270 30 40 HIEB C[C@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)O 12852407 YOKJHMVEKRWYGV-UTPRNQHHSA-N 402.830 4.249 30 40 HIEB COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1 13735098 HMBHUKPONGEMAM-HXUWFJFHSA-N 422.387 4.151 30 40 HIEB C=CCN1CCN(C(=O)CC(C)(C)C)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19082659 BRQWSBJUBGCYDM-HSZRJFAPSA-N 419.569 4.200 30 40 HIEB COc1ccc(CN/N=C/c2ccccc2OCc2ccccc2C#N)cc1OC 20196300 AMIHKFCFLTWKPI-JVWAILMASA-N 401.466 4.278 30 40 HIEB C=CCn1c(COc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccccc1 32611966 YZSFITIICFUGFR-UHFFFAOYSA-N 414.918 4.427 30 40 HIEB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(OC(F)(F)F)cc1 59663438 MWEZUCTYKHTMQE-UHFFFAOYSA-N 408.222 4.048 30 40 HIEB CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 97949474 KHKNQYWSNVQCHN-UHFFFAOYSA-N 414.575 4.233 30 40 HIEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@]132 100743676 PUQXXZQWBYBAOG-NJSNKAQFSA-N 423.597 4.467 30 40 HIEB biogenic CCCCCCCCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 101461907 GKTIIHNUIDEZKK-UHFFFAOYSA-N 400.548 4.325 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 102723197 NZBALOZENFAYOM-WOOAAIBNSA-N 424.840 4.271 30 40 HIEB Cc1ccc(S(=O)(=O)/N=C2/C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 103387783 JPZOYWVRFLZCIC-DAFNUICNSA-N 418.474 4.071 30 40 HIEB COc1cc(/C=N\c2ccc(I)cc2C)cc(OC)c1OC 103731540 OQZRTTUOGGNWIT-GRSHGNNSSA-N 411.239 4.376 30 40 HIEB CN/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296103 AYJVPGABEZOFAX-YQEDBCDYSA-N 419.525 4.082 30 40 HIEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3ccc(Br)cc32)c1 223762559 LDUMKZVPEUGERK-PYCFMQQDSA-N 416.344 4.344 30 40 HIEB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c1C#N 663324 DQDSHEADZZZYOF-UHFFFAOYSA-N 422.457 4.433 30 40 HIEB CCOc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C#N)cc1 1355207 SMUKQXQXYBHHBN-UHFFFAOYSA-N 423.494 4.253 30 40 HIEB CCOC(=O)CC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 1858979 FSZNVOVILYVKMT-UHFFFAOYSA-N 400.525 4.175 30 40 HIEB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 6800781 CIWNSEYPSNPSDA-UHFFFAOYSA-N 409.442 4.059 30 40 HIEB C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2sc(C)c(C)c2c1=O 18058053 KFEGLXFZHOCNPL-BETUJISGSA-N 405.589 4.142 30 40 HIEB CCCOc1ccc(N2C(=O)C[C@H](S/C(=N\C)Nc3ccc(F)cc3)C2=O)cc1 18125353 SVOSHJSTUCNJRQ-SFHVURJKSA-N 415.490 4.078 30 40 HIEB CS(=O)(=O)c1nc(Br)c(C#N)c(-c2ccc(Cl)cc2)c1Cl 19596543 UDBRDTMSAVEHPT-UHFFFAOYSA-N 406.088 4.093 30 40 HIEB biogenic O=C(Oc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)c1ccc(F)cc1 102732851 LOPMPGDCYUGKOB-UFFVCSGVSA-N 404.349 4.390 30 40 HIEB C#CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 226360310 AJEMXCKAQVRCFK-UHFFFAOYSA-N 411.211 4.363 30 40 HIEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(C(=O)OC)=C1C 409024308 QBINAVCHAJLHPI-ZHZULCJRSA-N 419.477 4.133 30 40 HIEB CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405904 PISHOKCWINAZNY-UHFFFAOYSA-N 414.421 4.253 30 40 HIEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 4311224 VLIYBGURZLQGJA-OAQYLSRUSA-N 402.425 4.308 30 40 HIEB CCNC(=S)N/N=C/c1cc(Br)ccc1OCc1cccc(C)c1 6438713 ASTIMNCZEACJGX-SRZZPIQSSA-N 406.349 4.154 30 40 HIEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c1 9046452 IBNZBLINXRXMLA-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB C=CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1 9195667 MRNIOJOJCJOLRT-MRXNPFEDSA-N 424.526 4.171 30 40 HIEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 19770492 ZODWQFAIAWXTOV-HOYKHHGWSA-N 402.494 4.395 30 40 HIEB CCN(CC)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccccc2)[C@@H]1c1ccc(F)cc1 19787843 PZUISHGBBWKTNB-XLBCKKMLSA-N 422.500 4.145 30 40 HIEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 20171325 NYEZKPLAJZOQGF-OAQYLSRUSA-N 410.489 4.136 30 40 HIEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(Cl)ccc2F)nc1C 24834734 PQRFENHOSNICQZ-UHFFFAOYSA-N 409.899 4.230 30 40 HIEB C=CCN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2ccccc2S1(=O)=O 33271916 PRRNCNJDYBRURM-UHFFFAOYSA-N 408.454 4.440 30 40 HIEB N#Cc1cccc(COc2cccc(NC(=O)NCCc3ccc4c(c3)OCO4)c2)c1 48353790 YGHVUJKDCUKEAA-UHFFFAOYSA-N 415.449 4.230 30 40 HIEB N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 95444839 FXQGDMPXWXECAV-UHFFFAOYSA-N 416.915 4.426 30 40 HIEB O=C1OC[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 196016212 AYBYNOCNPHROFT-UWTATZPHSA-N 406.094 4.261 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S 409329277 DCUZBDVBNWSNMS-UYRXBGFRSA-N 424.547 4.400 30 40 HIEB CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(O)cc1 1531214932 BAXDXWULKXUHFG-NHDPSOOVSA-N 400.276 4.044 30 40 HIEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sc(C)c(C)c2c1=O 3317956 VASHNTMCCQIDCM-IUODEOHRSA-N 405.589 4.048 30 40 HIEB C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 4148147 RASRECKIQWPOEE-UHFFFAOYSA-N 408.552 4.224 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@@H]1c1cccs1 7991013 WRZFIGASLPIXLQ-OAHLLOKOSA-N 417.556 4.284 30 40 HIEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 8292749 RMHNCGFYMKRNRH-UHFFFAOYSA-N 411.461 4.370 30 40 HIEB C=CCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)NC2CCCCC2)c2ccccc21 10157837 AFMOWXMDPHRFNX-VWLOTQADSA-N 417.509 4.451 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 13042438 OBNMNHYVCZFOEN-OAHLLOKOSA-N 407.417 4.262 30 40 HIEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(Br)c1)n1ncnc1N2 14608162 CGVJFIJABFOYMI-XIKOKIGWSA-N 411.259 4.049 30 40 HIEB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 17082854 NINLALHNOVUKLL-XWYWGPMTSA-N 404.469 4.303 30 40 HIEB C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CC2)C1 19015675 USQXBLBPLZHEPI-SANMLTNESA-N 420.528 4.356 30 40 HIEB O=C(OC/C(=N\O)c1ccc(Br)cc1)c1ccc(Br)cc1 102519918 LBOZMWBYJSKVAK-NBVRZTHBSA-N 413.065 4.247 30 40 HIEB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 103167364 AYXHHTXSFZZGFF-VHSXEESVSA-N 422.247 4.120 30 40 HIEB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1Cl 408789177 OHXBACXYMXAEIB-IBGZPJMESA-N 409.869 4.480 30 40 HIEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c(OC)c1 408815407 RGLNLFMVMDYBAL-MYYYXRDXSA-N 420.465 4.481 30 40 HIEB CSc1ncc(C(=O)NCCSCc2ccccc2C#N)n1-c1ccccc1 12507089 ZCFLMEFNKNUVGL-UHFFFAOYSA-N 408.552 4.129 30 40 HIEB COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(C#N)cc2)cc1[N+](=O)[O-] 12649242 YCWANSQJCIQAGY-YYDJUVGSSA-N 412.405 4.082 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102642755 QAEASNNQHJXWCO-YDJIHCHBSA-N 404.853 4.357 30 40 HIEB C[C@@H]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c(C#N)cc2C1 215712355 NZLXXKHFOJWCAZ-LLVKDONJSA-N 406.433 4.223 30 40 HIEB C#CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(OC)c1 226336991 RUCWGFZKFYTLQQ-CSKARUKUSA-N 401.256 4.226 30 40 HIEB O=C(O)COc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 408748513 DHQTXYMRXGJKHY-VIZOYTHASA-N 423.277 4.348 30 40 HIEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408815530 XADRYCQJZGOXAF-MHWRWJLKSA-N 417.248 4.225 30 40 HIEB CC(C)OC(=O)COc1ccc(/C=N\c2ccccc2I)cc1 409187468 QVUXJVNHYYIALG-JAIQZWGSSA-N 423.250 4.372 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc1OCC 409209191 HPIPQZWJMGNWLC-QCUKBLKESA-N 419.499 4.028 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccc(O)cc45)[C@H]3C[C@H]12 4045420 SYOZIQWKUALTLK-ZMQQLZQCSA-N 408.542 4.320 30 40 HIEB biogenic N#Cc1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 9714714 FCWLGRCOVLCXOZ-UHFFFAOYSA-N 417.899 4.326 30 40 HIEB C=CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 10009747 MFNRDHICAMYWIO-UHFFFAOYSA-N 414.508 4.366 30 40 HIEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(c2ccc3c(c2)OCCO3)CO1 13687938 NTDCDFRBBZWTAR-NHDPSOOVSA-N 419.458 4.492 30 40 HIEB O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713123 MQPJOWOYLZIOAZ-YSESTWPTSA-N 407.853 4.340 30 40 HIEB COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C 68766833 HYGQMCZVYNMPKE-MAVBTGMRSA-N 411.527 4.409 30 40 HIEB COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C 68766840 HYGQMCZVYNMPKE-COPMAWBXSA-N 411.527 4.409 30 40 HIEB C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 101287969 UGGBQAUWDUCAJN-MOBKVPTQSA-N 412.445 4.273 30 40 HIEB COc1ccc(-n2c(NC(=O)c3ccco3)c(C#N)c3nc4ccccc4nc32)cc1 4082960 NVEWRZOTEWLEOS-UHFFFAOYSA-N 409.405 4.299 30 40 HIEB COC(OC)/C(C)=N\NC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 5566071 WUCKKJHMSZOXLN-ROTLSHHCSA-N 419.312 4.459 30 40 HIEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 9482157 SDHFYKUMEMPSOQ-NVMNQCDNSA-N 417.255 4.396 30 40 HIEB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c2ccccc12 11373059 SOFSHVNOSNDNRZ-SFHVURJKSA-N 413.477 4.211 30 40 HIEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc([N+](=O)[O-])cc1 16956054 KGYHXKKPPGLOOM-UHFFFAOYSA-N 417.272 4.487 30 40 HIEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 19820663 TVZQTSUTYQWENV-UHFFFAOYSA-N 415.566 4.368 30 40 HIEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc(F)c1 20033940 LCXIRITYQHUHGI-VIZOYTHASA-N 420.234 4.492 30 40 HIEB biogenic C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 24772164 HONLKRJIJHKCQI-UHFFFAOYSA-N 407.495 4.024 30 40 HIEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224616037 ZBTMVMMGQUMVAX-UHFFFAOYSA-N 402.299 4.392 30 40 HIEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224769225 KMIFOMRPBXPSDB-UHFFFAOYSA-N 411.277 4.047 30 40 HIEB COCc1cc(C)nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C#N 408599092 DTASGYUDLTUGDQ-UHFFFAOYSA-N 411.405 4.038 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408728599 PNXQXFYJVMSXOM-NVRWWLHNSA-N 400.356 4.106 30 40 HIEB C=CCOc1cc(Br)c(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OCC 408908038 AMHTVVNDURHKTJ-JMIUGGIZSA-N 421.251 4.162 30 40 HIEB C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1OCC 408955756 YZUCRLFFHUQHFE-RCCKNPSSSA-N 422.506 4.388 30 40 HIEB Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1Cc1ccccc1 409408462 QTVTXSAMPHWXQE-CVKIWWORSA-N 409.489 4.139 30 40 HIEB Cc1cccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2-c2ccccc2)c1 3407389 OJKOLDSQLBOIOI-QHCPKHFHSA-N 417.538 4.143 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCc3sccc3[C@@H]2C)n(Cc2ccco2)c1C 7878908 MOROBFUTIWVRKD-INIZCTEOSA-N 408.527 4.237 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cccc(OC)c1 9479367 OCVICOURNFKDMC-UHFFFAOYSA-N 424.526 4.269 30 40 HIEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(Cl)c2)cc1 18219428 SGRHVPCUQMXMHC-VFNWGFHPSA-N 406.873 4.356 30 40 HIEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(OC)c2)cc1OC 36357421 PUHIANXIPSESAG-GOSISDBHSA-N 403.438 4.025 30 40 HIEB O=C(/C=C/c1ccccc1OCc1cccnc1)c1ccc(N2CCOCC2)cc1 44013709 NGHSFKWUENCAFG-FMIVXFBMSA-N 400.478 4.393 30 40 HIEB COc1ccccc1NC1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 79059063 GIHKRBVXVHGTIY-UHFFFAOYSA-N 420.557 4.135 30 40 HIEB CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409770 UXBBMBRRHGIXEW-INIZCTEOSA-N 411.508 4.054 30 40 HIEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCN(C)CC3)/C2=N\C(C)(C)C)cc1 101377334 XLETZUHTAOQDID-PCOHFRABSA-N 410.606 4.105 30 40 HIEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccs2)s1 102740463 AXTPTFBQJLNBII-MNWMYKRDSA-N 417.537 4.411 30 40 HIEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 102934625 SGSLKOUXOJGDOZ-HOGKFDNTSA-N 414.461 4.497 30 40 HIEB CCc1ccc2c(c1)/C(=N/Nc1ccc(Br)cc1)C(=O)N2C1CSC1 223724215 HEZPYTSRBKRGSO-PYCFMQQDSA-N 416.344 4.290 30 40 HIEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408811516 NUFGTFOMHAHKCP-GXDHUFHOSA-N 417.248 4.225 30 40 HIEB COCCn1c(SCc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 2633870 ONODZOSIMQIHNG-UHFFFAOYSA-N 411.552 4.147 30 40 HIEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 9420546 GTWWYRGWLUFWRW-HIPMGEKLSA-N 417.255 4.396 30 40 HIEB COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 19772575 DFTXUMHPBHOBGD-JOCHJYFZSA-N 409.507 4.468 30 40 HIEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(N4CCCCC4)nc(=O)c32)cc1 19820020 FGLOVEKUEXLUKN-GOSISDBHSA-N 422.554 4.047 30 40 HIEB CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 20230145 QLKSKVXPGLHBAH-QFIPXVFZSA-N 422.525 4.004 30 40 HIEB O=[N+]([O-])c1ccc2c(c1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-2 104210055 UAGMGELNJQFCNC-VZCXRCSSSA-N 405.326 4.256 30 40 HIEB CCN1C(=O)/C(=C\c2c(OC)cc(OC)cc2OC)S/C1=N/c1ccc(F)cc1 409237604 KCRHJAADOPDPNF-JUAGQRJUSA-N 416.474 4.475 30 40 HIEB C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 4703298 JKKCKDBGPCYAOJ-LDADJPATSA-N 405.841 4.147 30 40 HIEB CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1 6275785 UKBOAVVWFBJKCP-DJKKODMXSA-N 406.305 4.047 30 40 HIEB N#Cc1c(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)sc2c1CCC2 7910332 XSOFWCOLJHGXMU-MRXNPFEDSA-N 408.552 4.494 30 40 HIEB CC(C)=CCC[C@]1(C)/C=C/[C@H](OC(=O)C=C(C)C)[C@@](C)(O)/C=C/C(=O)/C(CO)=C\C1 14828790 GYXPHGPELZUVGI-BXRQKYFFSA-N 416.558 4.372 30 40 HIEB biogenic,in-vitro CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1OC 24672038 HICFVSPZBQYKKS-JOCHJYFZSA-N 416.562 4.272 30 40 HIEB O=C(Nc1cccnc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68573736 AOSMRZDCNPKCTL-SSDOTTSWSA-N 406.151 4.055 30 40 HIEB biogenic COc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1O 100003696 OHGUZBCLDFOJCT-HXUWFJFHSA-N 414.498 4.260 30 40 HIEB biogenic C[C@H](NC1=C(NC(=O)c2cccs2)C(=O)c2ccccc2C1=O)c1ccccc1 102138148 AYQUKOFPYCPBLV-AWEZNQCLSA-N 402.475 4.120 30 40 HIEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102929733 LRDWYQHWUFTIDC-NHFXJNLRSA-N 404.853 4.357 30 40 HIEB COc1c(C(=O)/C(=N\Nc2cccc(Cl)c2)C(C)=O)c(O)c(OC)c2occc12 104312504 PRSJHWCESHTWJE-HAHDFKILSA-N 416.817 4.049 30 40 HIEB CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1 408707806 FDADQBFWEYOLIZ-UHFFFAOYSA-N 401.551 4.164 30 40 HIEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2646478 GXADLRJKLFHSND-KRWDZBQOSA-N 416.433 4.300 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O 3317958 VASHNTMCCQIDCM-WFASDCNBSA-N 405.589 4.048 30 40 HIEB N#Cc1ccc(OC[C@H](O)CNC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6949606 GVEICCSPGYMWGR-ZJSXRUAMSA-N 411.505 4.201 30 40 HIEB CCn1c2ccccc2c2cc(/C=N/NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 13146337 BTEAAYMDYZKSRO-HYARGMPZSA-N 422.466 4.035 30 40 HIEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(OCC(=O)O)cc1)OCO3 18197506 RRRGSXXYNZRUTE-QFIPXVFZSA-N 421.449 4.079 30 40 HIEB COc1ccc([C@@H](CNCc2ccc(N(C)CCC#N)cc2)N2CCCCC2)cc1 22925629 HEJJGMIWEIBXGR-RUZDIDTESA-N 406.574 4.362 30 40 HIEB C=CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1 72390544 UGDSIXANHVYUCF-REIDKSKDSA-N 408.567 4.135 30 40 HIEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 100237024 WIFCKXHMDYGNCN-WEZLJLAESA-N 420.896 4.450 30 40 HIEB COc1cccc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)c1 409284616 UDOVJKBCIJBLMW-UHFFFAOYSA-N 414.303 4.347 30 40 HIEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC 2155560 ORXGMERAYBNKPR-MTJSOVHGSA-N 406.390 4.441 30 40 HIEB biogenic N#Cc1cccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)c1 2625263 QXIIAPOZGPMVLK-UHFFFAOYSA-N 404.426 4.387 30 40 HIEB Cc1cccc(/N=C(\O)c2ccc(F)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 3022324 CNTDJYWDVJEVPQ-HZPDHXFCSA-N 404.507 4.437 30 40 HIEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3OC(F)F)c2C#N)C1 3366887 YQLRLYPCOFPTTO-LLVKDONJSA-N 420.437 4.141 30 40 HIEB C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 6084053 NXEOJVSEBJVAAR-RYUDHWBXSA-N 407.253 4.203 30 40 HIEB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCOC)cc1 9067662 PPLIYUNJFHVJSW-JOCHJYFZSA-N 423.509 4.181 30 40 HIEB Oc1c(Br)cc(/C=N/Nc2ccccc2)cc1I 16488161 KGUKIBREZROKSE-LZYBPNLTSA-N 417.044 4.205 30 40 HIEB Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(O)cc2)cc1 44858672 FLKPLNDSBKZJOB-JOCHJYFZSA-N 414.465 4.171 30 40 HIEB O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)NCc1ccco1 100055558 LIXLYEYFOPHAHV-UUYOSTAYSA-N 413.271 4.488 30 40 HIEB C=CCN(c1ccc(C(=O)NCc2ccccc2C)cc1)S(=O)(=O)c1ccccc1 224371163 NVAVVFDBIFDLMY-UHFFFAOYSA-N 420.534 4.306 30 40 HIEB CCCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 409042647 NYWAVMBLQNLHAJ-DEGRTSSHSA-N 400.478 4.016 30 40 HIEB N#Cc1nc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)sc1Cl 590573916 JUVQOQQVKKMMTC-UHFFFAOYSA-N 401.841 4.847 30 40 HIEB COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c(OC)c1 1081802640 NOUXRSGXVDVKBF-OVEPSTSESA-N 418.401 4.354 30 40 HIEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3nnc(C(F)(F)F)s3)nc12 1223892 DCHVFGVUSVBXMI-UHFFFAOYSA-N 409.418 4.016 30 40 HIEB C=CCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OCC=C 2081100 UVWHVFCSPRKBOE-PDGQHHTCSA-N 406.394 4.069 30 40 HIEB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O 3672432 IWIZUAXKWJLWAN-CYBMUJFWSA-N 413.930 4.452 30 40 HIEB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)sc2c1 5265116 MORWQYQKOLEYPQ-UHFFFAOYSA-N 400.463 4.419 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 5800647 JEQUSEKGDKYUOT-KRWDZBQOSA-N 409.442 4.077 30 40 HIEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(N(CC)CC)cc1 5926200 VZIIYEIHKIIQMX-GOSISDBHSA-N 424.570 4.293 30 40 HIEB CCCCCCCCCCCCCCCCn1c(N)nc2c1c(=O)[nH]c(=O)n2C 8398362 AMXDEEWNBSFKKI-UHFFFAOYSA-N 405.587 4.487 30 40 HIEB O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 8518176 SGASSKBYUDJMCD-LJQANCHMSA-N 409.511 4.338 30 40 HIEB COCc1cc(C)nc(SCc2ccc(I)cc2)c1C#N 9295520 NCFQZBKRUDMLRY-UHFFFAOYSA-N 410.280 4.305 30 40 HIEB COc1cc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(Cl)c1OC 14359798 KUYYZSGVSYJICD-JFRBKTGZSA-N 402.878 4.074 30 40 HIEB CN1/C(=C\C(=O)COC(=O)c2cccc(OC(F)F)c2)C(C)(C)c2ccccc21 17970461 UVLJFGXVCRVZDO-UNOMPAQXSA-N 401.409 4.325 30 40 HIEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCC(C)CC3)C2=O)c1OC 20610677 XLKBYANDBOHHII-BKUYFWCQSA-N 409.482 4.258 30 40 HIEB biogenic C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1[C@@H](C)Oc1ccccc1 32604160 LTHABKBDOLQKAQ-GOSISDBHSA-N 422.554 4.321 30 40 HIEB C=CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2ncnn21 59210803 PFVAETLVSDCJKX-QFIPXVFZSA-N 415.497 4.387 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C 102506819 WXHJVDIPDKNOJO-YDJIHCHBSA-N 420.490 4.082 30 40 HIEB O=C(O)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 408950519 FYFKEHAMXOQEFR-GIDUJCDVSA-N 420.000 4.096 30 40 HIEB C[C@@H]1CCCCN1c1nc(=Nc2ccccc2F)nc(N/N=C/c2ccc(F)cc2)[nH]1 408976089 PHVOEQOHTBISKZ-PVLQNKMRSA-N 423.471 4.140 30 40 HIEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(OC)c1 2447322 PFMQZRQRSVMALN-UHFFFAOYSA-N 408.527 4.487 30 40 HIEB COc1ccc([S@@](=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2C#N)cc1 4084394 SOZOBOQYVDXLMP-LJAQVGFWSA-N 412.417 4.264 30 40 HIEB N#CCc1ccc(NC(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 5260013 XJOSKLPAPRHDCS-UHFFFAOYSA-N 415.449 4.057 30 40 HIEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 5847409 RGMVPNVBTGQDMB-OAQYLSRUSA-N 416.433 4.018 30 40 HIEB C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1cccs1 7991014 ILLXCCMSWXWLFJ-HNNXBMFYSA-N 417.556 4.140 30 40 HIEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)ccc1O 8468771 YKLZCDAKAMRSBP-FQEVSTJZSA-N 401.462 4.338 30 40 HIEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1OC 12632323 UWGOUPYWZJXSQI-NTUHNPAUSA-N 422.525 4.097 30 40 HIEB CCCCc1nc(OCC(=O)Nc2cccc(OC)c2)c(C#N)c2c1COC(C)(C)C2 95474132 XGWWMBXYPCNJRH-UHFFFAOYSA-N 423.513 4.173 30 40 HIEB N#CC1(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CCOCC1 609666478 AFRITFIRQJBPOG-UHFFFAOYSA-N 409.436 4.235 30 40 HIEB COc1ccc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 868357 FHKFOYWQKLSYTK-CIAFOILYSA-N 400.276 4.006 30 40 HIEB CCOC(=O)c1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 1223901 GAKONHUQSFLJGV-UHFFFAOYSA-N 405.479 4.322 30 40 HIEB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354396 AATGAGVYHNTOGM-UHFFFAOYSA-N 407.495 4.471 30 40 HIEB COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OC(=O)c1cccc(Cl)c1 1405896 AQCDLLADVUXMDW-SSDVNMTOSA-N 418.236 4.157 30 40 HIEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 4944055 DYXACLZYMOZSGQ-UHFFFAOYSA-N 422.598 4.232 30 40 HIEB COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)CCCCC4 5347044 LINRBUDVHSZUAH-FOKLQQMPSA-N 407.499 4.167 30 40 HIEB Fc1c(F)c(F)c(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c(F)c1F 5413119 PJMCWYIHRZGLJU-HCBMXOAHSA-N 403.420 4.149 30 40 HIEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 7853895 LOABENVHEGSFGV-CQSZACIVSA-N 412.536 4.436 30 40 HIEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccs1 9414356 XPAWHNDPVAWBOL-IBGZPJMESA-N 415.511 4.150 30 40 HIEB C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 10009748 XJTXRPYERLOPLG-UHFFFAOYSA-N 414.508 4.366 30 40 HIEB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C 13096352 DBRNXJGLBSPATB-UHFFFAOYSA-N 424.570 4.015 30 40 HIEB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOCC2)c(F)c1 16389548 ONJMBMZRRQNPBA-FNORWQNLSA-N 405.901 4.373 30 40 HIEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(O)c2[C@H]3c2cccs2)cc1OC 18197301 ZHOZOQWYAGXZRX-BUXKBTBVSA-N 423.494 4.152 30 40 HIEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(OC(F)(F)F)cc1)n1ncnc1N2 18200769 RTODCIKGLYGBPH-KPZWWZAWSA-N 416.359 4.185 30 40 HIEB O/C(CN1CCC[C@H](COc2ccc(F)cc2)C1)=N\c1nnc(C2CCC2)s1 19658353 AZPAMWKVGAUMRY-AWEZNQCLSA-N 404.511 4.324 30 40 HIEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 24635146 WVORYDIJSJUXSF-AWEZNQCLSA-N 402.420 4.066 30 40 HIEB CCCCN(CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 35164378 WKVFSFFSTIBSKV-OAQYLSRUSA-N 404.526 4.402 30 40 HIEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1cccc(C(=O)O)c1 35657123 AMXXIJSXVVWTTQ-JSDDMWTDSA-N 402.859 4.368 30 40 HIEB O=C(CO/N=C/c1ccc(Oc2ncccn2)cc1)Nc1ccc(F)cc1Cl 36398519 XQRUQXZDWINCSS-BHGWPJFGSA-N 400.797 4.051 30 40 HIEB C=C(C)C/N=c1/scc(-c2ccco2)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 103460714 KCHUHLHMSCPPON-NTLNCKMSSA-N 418.862 4.436 30 40 HIEB CC(C)(C)[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccccc1 408927982 ZEJHPRZXIVIHFT-CQSZACIVSA-N 414.321 4.456 30 40 HIEB COc1ccc([C@H]2CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 1736986 LHHIEQABTRNXFN-MJGOQNOKSA-N 420.527 4.453 30 40 HIEB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 9042056 KZJJUWDADXRTKZ-ZDUSSCGKSA-N 424.913 4.390 30 40 HIEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cn(C)nc1-c1ccc2c(c1)OCCCO2 9683032 PVDVKUJPDKAVSV-HSZRJFAPSA-N 416.481 4.001 30 40 HIEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(N(CC)CC)cc3)ccc2c1=O 12607392 GHTYHKSBORMBII-UHFFFAOYSA-N 408.527 4.344 30 40 HIEB COc1ccc(N/C=C2\C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 20558866 QKQIESRXLXMRHP-PXLXIMEGSA-N 420.490 4.181 30 40 HIEB C=CCc1ccccc1OC[C@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O 32854238 MKHLNBLXLODQQB-LJQANCHMSA-N 418.518 4.293 30 40 HIEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cc(OC)c1OC 100765826 KVLXBFSMPVASJF-VXKWHMMOSA-N 423.553 4.456 30 40 HIEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1 101294413 VDIQEHSIIDPWCC-JBCNATCCSA-N 416.433 4.174 30 40 HIEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)c1 102804704 GKKREJHSXNXINH-JBCNATCCSA-N 400.434 4.025 30 40 HIEB C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 409089362 IWOSOMNJFWUAKL-WJDWOHSUSA-N 409.338 4.396 30 40 HIEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409133613 NHNMSDBUGQEGPP-WOJGMQOQSA-N 412.873 4.315 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)c1 4632287 CDSVSASWFOVEIL-IBGZPJMESA-N 415.511 4.150 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(C)cc1C 7759957 LJICXXZMSKGJDI-UHFFFAOYSA-N 407.470 4.199 30 40 HIEB COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)cc1 35897663 XBAKCWBZIKJPHO-CFGMGRTJSA-N 408.479 4.065 30 40 HIEB COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 40267430 RPLPAYNXLYNSPB-QKKBWIMNSA-N 418.453 4.066 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccco1 795041 AJHCXYJZHMTSGC-SJKOYZFVSA-N 422.264 4.344 30 40 HIEB COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 8919404 IVHLNDMUPJPGKX-UHFFFAOYSA-N 424.345 4.135 30 40 HIEB COC(=O)C(C(=O)CSc1cc(C)c2ccccc2n1)=C1Nc2ccccc2N1 12586672 GJQQPZSSQLTZRX-UHFFFAOYSA-N 405.479 4.127 30 40 HIEB C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@H]1COc2ccccc2O1 12876182 XHWJEUDZOHYBMJ-XJKSGUPXSA-N 413.503 4.336 30 40 HIEB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 28961562 CMWJODRNRBOHGA-HXUWFJFHSA-N 412.537 4.246 30 40 HIEB C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CC(=O)NCCC#N 36735203 ATGKMRKYLNBTIH-YJBOKZPZSA-N 406.917 4.360 30 40 HIEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)c2cc(Cl)ccc2Br)c1 97465368 WDLLYBKWVUGPEU-UHFFFAOYSA-N 402.697 4.413 30 40 HIEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccccc1Br 101153878 NMPOMBHZDQBLSV-VAWYXSNFSA-N 413.271 4.205 30 40 HIEB COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 408731253 ZJHGDYIIMZGMFX-LFVJCYFKSA-N 406.507 4.193 30 40 HIEB C=CCN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2O)C1=O 409070980 POOMSEMCYHJOLK-BJMVGYQFSA-N 419.094 4.140 30 40 HIEB C=CCn1c(S[C@@H]2CCCN(CC(C)(C)C)C2=O)nc2sc(C)c(C)c2c1=O 1164584170 TUXDNTVTOPTWKO-OAHLLOKOSA-N 419.616 4.390 30 40 HIEB COc1cccc(C(=O)Nc2sc(C(=O)Nc3ccccc3OC)c(C)c2C#N)c1 838402 LXHYIFJXNFSIFK-UHFFFAOYSA-N 421.478 4.450 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(F)cc1 2229591 MZQVXCVLKMXRRX-UHFFFAOYSA-N 400.454 4.449 30 40 HIEB C=CCn1c(C)cc(C(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1C 3397225 HYTBYLLXLGJEMJ-UHFFFAOYSA-N 401.557 4.322 30 40 HIEB Cc1cc(OCC(=O)N(CCC#N)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 5546823 GLFBOGQWGPGBRX-UHFFFAOYSA-N 416.477 4.306 30 40 HIEB C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)cc1F 6507342 QMONRJKJPTXYMN-UHFFFAOYSA-N 409.211 4.242 30 40 HIEB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2cccc(C#N)c2)C1 8297468 IPPWENVLXXDEEE-VQTJNVASSA-N 424.504 4.347 30 40 HIEB biogenic,in-vitro C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1C 8571389 GHLNYCSEVFEJCW-UHFFFAOYSA-N 408.527 4.103 30 40 HIEB N#CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 14200922 FVZKVDRHTNVDGR-VGOFRKELSA-N 410.564 4.263 30 40 HIEB CCOC(=O)c1cc(C#N)c(SCc2nc3ccccc3n2C(F)F)nc1C 14902829 NSZSPGVBVBAVOH-UHFFFAOYSA-N 402.426 4.476 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 17161516 UBJLSMBQHXGAQQ-QGZVFWFLSA-N 410.451 4.144 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@H]12 20756208 DMMIXJHWIBEAFH-FYEJASGKSA-N 400.607 4.251 30 40 HIEB biogenic Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=O)(c5ccccc54)[C@@H]3C2=O)c1C 59484501 FXEKEFVHVWPMQC-ZOVQAKDCSA-N 407.469 4.053 30 40 HIEB COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2cc(F)ccc2F)cs1 95455157 CMEGGMGYPCHBPU-AWEZNQCLSA-N 413.405 4.121 30 40 HIEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 97954028 WVSDPBMRQIYJFH-OTWHNJEPSA-N 424.545 4.364 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 102875911 FTGFLBUJVUXGOK-YDJIHCHBSA-N 420.852 4.370 30 40 HIEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C(=O)O)cc1 210530730 YMXKKXSPMONCKB-RTPPHFGYSA-N 412.467 4.026 30 40 HIEB C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2CCC2)CC1 257295516 QYPOHAGGAOYPQX-UHFFFAOYSA-N 417.553 4.002 30 40 HIEB COc1c(/C=N/c2c(-c3ccco3)nc3ccccn23)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408720693 CJKUBPRLWXUKBR-RGVLZGJSSA-N 407.342 4.170 30 40 HIEB CCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)S/C1=N/c1ccc(F)cc1 409234009 XQEGHSOFNPKFMP-SYFXMVHNSA-N 402.447 4.172 30 40 HIEB O=c1c2ccccc2nc(O)n1N=Cc1cccc(OCc2ccccc2Cl)c1 409358017 JQUKJEIAGXUABR-UHFFFAOYSA-N 405.841 4.217 30 40 HIEB COC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1C 2738562 PIYXVIXPBVJYRU-UHFFFAOYSA-N 406.891 4.474 30 40 HIEB CC(C)COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 3353785 PJGQFSXOTFBQKX-UHFFFAOYSA-N 412.511 4.329 30 40 HIEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)O)c3)c2C)c1 3889910 MXKWONYLUDTNRL-CFRMEGHHSA-N 406.438 4.425 30 40 HIEB C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(F)c1 4736325 CIWAIWUDTYQBKT-ZDUSSCGKSA-N 417.535 4.463 30 40 HIEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 6607528 NINYIYYGMKCESO-MRXNPFEDSA-N 408.504 4.312 30 40 HIEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1cccs1 6691032 OHKWUMRDWBXIFC-RHSMWYFYSA-N 403.887 4.159 30 40 HIEB COc1cc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2cc1OC 34791610 XWGQYLNFAQSYMJ-AWEZNQCLSA-N 419.506 4.194 30 40 HIEB CC(C)Oc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 222362735 YBNSKGUKYSIPSP-VPUXQDPLSA-N 400.478 4.014 30 40 HIEB COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC#N 409339253 GEGIAVFSNAMGBJ-PDGQHHTCSA-N 412.492 4.012 30 40 HIEB CSc1nn(-c2cc(Oc3ccc(F)cc3)nc(-c3ccccc3)n2)c(N)c1C#N 632467 KENGLEJGASOBRW-UHFFFAOYSA-N 418.457 4.436 30 40 HIEB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCC2 1517272 VMIQAFJXWYHJMU-UHFFFAOYSA-N 402.829 4.314 30 40 HIEB CCOc1ccccc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F 2295349 OSKQYIQUIGDHRN-CYBMUJFWSA-N 411.220 4.219 30 40 HIEB CCCCCn1c(SCC#N)nc2cc(C(=O)NC3CCCCC3)ccc2c1=O 4034431 ICLGOKZNSDEUMI-UHFFFAOYSA-N 412.559 4.265 30 40 HIEB O=C1/C(=N\Nc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1ccccc1 5603861 ZOCNVIKLRSHGLH-MXAYSNPKSA-N 400.282 4.438 30 40 HIEB CCCOc1ccc(/C=N/CC(=O)Nc2ccc(Br)cc2C)c(O)c1 6785226 QXBCRVJPUFUICG-SRZZPIQSSA-N 405.292 4.310 30 40 HIEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(I)cc2Cl)c1 6862950 LOAGTGHTIXQVNU-FRKPEAEDSA-N 402.575 4.309 30 40 HIEB C=CCNC(=O)[C@@H](C)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC 12925787 ZZONTPGPMOHZQQ-MRXNPFEDSA-N 404.466 4.170 30 40 HIEB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 16172006 ZSSBCOWDGLHYCQ-FQEVSTJZSA-N 420.513 4.280 30 40 HIEB C#CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(CC)C2=O)cc1 33793315 BXJJMSWHVLIVPY-NMSSZPRHSA-N 406.463 4.021 30 40 HIEB C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)ccc3nsnc23)cc1OC 96232173 VBOKUXUDKLXXOD-AWEZNQCLSA-N 414.483 4.055 30 40 HIEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1CC 101906214 MHIZDVYGHRLDML-FYCBZXFJSA-N 421.522 4.458 30 40 HIEB N#Cc1ccccc1CO/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408596691 SUVCODWNLXCXFX-VULFUBBASA-N 403.413 4.266 30 40 HIEB C=CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408884283 XPDNMSQMCQVBCQ-JXAWBTAJSA-N 416.408 4.210 30 40 HIEB CCCN1C(=O)[C@@H](Cc2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 409144236 KECCNQIGJCWYQX-QAHCAUCSSA-N 414.527 4.297 30 40 HIEB CCOc1ccc(C=CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 2041477255 KVABLDHEQSMFLE-NRFANRHFSA-N 424.517 4.169 30 40 HIEB biogenic C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 4065907 OUYCYGGJNZULCH-OAQYLSRUSA-N 411.498 4.124 30 40 HIEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc2c(cc1Br)OCO2 4743086 SZLPDRQFVFOBJX-VIZOYTHASA-N 403.257 4.069 30 40 HIEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)cc2)cc1OC 5000349 PLOMZTZFOFHYQY-UHFFFAOYSA-N 410.861 4.387 30 40 HIEB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 5520039 ZNYWJLJCXRHWJR-UHFFFAOYSA-N 409.540 4.323 30 40 HIEB C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)N(CCC#N)c1ccccc1 6141019 IVGSTKPFHBEGBG-KRWDZBQOSA-N 421.522 4.498 30 40 HIEB C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1 14104118 IICKMCXJFZUQMD-UHFFFAOYSA-N 401.492 4.151 30 40 HIEB CCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(C[C@H](C)CC1=O)N2 22608546 QXCMKDXLEIKKNW-QFYYESIMSA-N 419.348 4.421 30 40 HIEB COc1ccc([C@H](CNCc2ccc(N(C)CCC#N)cc2)N2CCCCC2)cc1 22925634 HEJJGMIWEIBXGR-VWLOTQADSA-N 406.574 4.362 30 40 HIEB C=CCc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCC 33958405 HVNCVQKTADGNEL-AFUMVMLFSA-N 408.502 4.380 30 40 HIEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 40051149 SQVOUNCBPBTHDZ-UHFFFAOYSA-N 404.518 4.061 30 40 HIEB C#CCN(Cc1cccnc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 72270423 HWOIDNDBBZFERU-UHFFFAOYSA-N 406.417 4.042 30 40 HIEB COc1ccc(N2CCN(c3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)CC2)cc1 96346446 CMHGXSCJMDQPOY-SFTDATJTSA-N 400.482 4.153 30 40 HIEB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](Sc1ccccc1)/C2=N/O 100563388 IOEXOESFPUIGLA-VDVBZYJVSA-N 404.513 4.169 30 40 HIEB COCC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2 103461406 XKNNZFCPLDQDFY-UYQYUFJQSA-N 419.497 4.411 30 40 HIEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408855050 CTYNEDDNDPYCOA-KSEXSDGBSA-N 421.409 4.458 30 40 HIEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)C1=O 409125506 MUQGHLPVQDIVSZ-MOSHPQCFSA-N 423.538 4.122 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1 409319654 JTJIQLGYXGXLGR-UHFFFAOYSA-N 413.319 4.060 30 40 HIEB C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccc(C)c1 2445852 ODJZUFVUXIWJER-UHFFFAOYSA-N 424.526 4.188 30 40 HIEB Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@H]1COc2ccccc2O1 5108765 WLTBTBJIKUBUGQ-FQEVSTJZSA-N 402.450 4.078 30 40 HIEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2Cl)cc1 5446222 AGEZSNCWLWIBNV-OXQOHEQNSA-N 411.885 4.406 30 40 HIEB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O 5728585 MSAUYOVEIIKUSC-JOCHJYFZSA-N 415.445 4.492 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2cccn2C)n(Cc2cccs2)c1C 12568186 GAMQXMMCOAOCQP-OAQYLSRUSA-N 421.570 4.201 30 40 HIEB C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccccc4)sc3C)cc21 19820225 WZYQLPYSXGYFCT-UHFFFAOYSA-N 405.479 4.282 30 40 HIEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 58884122 UDJRHQHLDXPMLT-HWEDYNCSSA-N 414.465 4.362 30 40 HIEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1OC 97105080 PHSGAVAEYCAKBB-XXBNENTESA-N 410.466 4.032 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2Cl)c1 105410479 BGFMZHZMLGPJJN-CVWKSKFMSA-N 420.896 4.450 30 40 HIEB COC(=O)COc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409100434 NGDIZLQTYIRAOZ-TXNBCWFRSA-N 422.190 4.405 30 40 HIEB C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(C)cc1 409135534 YYKSNZZPXGBNJB-KGENOOAVSA-N 418.493 4.390 30 40 HIEB CCc1cc2c(cc1N1C[C@H]3C[C@H]1CN3)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 725343334 HRHGMORMALDBQV-SJORKVTESA-N 410.521 4.023 30 40 HIEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc12 4116305 ONOKTFYAQLOIIC-YIKPVDIZSA-N 401.466 4.399 30 40 HIEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O 4667439 OBUWYASQHPGXCY-UXBLZVDNSA-N 418.287 4.154 30 40 HIEB COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 6176973 LCKPCXIDAWZOIA-NRFANRHFSA-N 418.424 4.008 30 40 HIEB Cc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c(O)c([N+](=O)[O-])c1 6275714 HBZBTNXUGQNDLD-FOKLQQMPSA-N 409.364 4.215 30 40 HIEB Cc1ccc(Nc2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 6365592 CRKZFBJYGMDUNM-UHFFFAOYSA-N 406.467 4.404 30 40 HIEB CCOc1cc(/C=N/Nc2nc3ccccc3n2C)cc(Br)c1OC 7343343 RSQAAAKQKOIYHT-RGVLZGJSSA-N 403.280 4.189 30 40 HIEB O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 9331424 FFSZPNLDPXEIIJ-FQEVSTJZSA-N 416.389 4.083 30 40 HIEB Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)c1 12418795 AMMRLYXTGSVMAV-BQYQJAHWSA-N 404.495 4.049 30 40 HIEB COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)c1 32501359 PZIQNRHHHMULLZ-JJFYIABZSA-N 414.461 4.367 30 40 HIEB COc1ccc(C(=O)C2=CN(c3cccc(C#N)c3)c3ccccc3S2(=O)=O)cc1 32984198 NZUABPXFXSGQGY-UHFFFAOYSA-N 416.458 4.217 30 40 HIEB COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br 59105713 YWFASEOSNBFXFC-OQLLNIDSSA-N 407.264 4.488 30 40 HIEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3nc4ccccc4s3)N(C)C2=O)cc1 100628240 MGPSGFSZXKPCLB-MLVIZHJXSA-N 410.524 4.195 30 40 HIEB COc1cccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)c1 408574615 AISRBEVSBHWZDR-UHFFFAOYSA-N 413.429 4.175 30 40 HIEB Oc1cccc(/N=C\c2cc(Br)cc(I)c2O)c1 409104326 CVMVOTYKMXEANB-APSNUPSMSA-N 418.028 4.216 30 40 HIEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(C(C)(C)C)cc2)n1 5284288 YEYQIXHDXANSQI-PCLIKHOPSA-N 403.534 4.293 30 40 HIEB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)ccc1F 7779060 GZJWMCWTIAIYJA-UHFFFAOYSA-N 409.442 4.059 30 40 HIEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 11859791 YAVDAUZIYHNFJC-SOBIRXOSSA-N 406.916 4.021 30 40 HIEB CC1(C)SC(=S)N(/N=C/c2ccccc2O)[C@H]1N(O)C(=O)Nc1ccccc1 13638819 KFLUGPSBBUTIJA-DORSJAEJSA-N 416.528 4.088 30 40 HIEB Cc1nc(C2=C(N)N(CCC(c3ccccc3)c3ccccc3)CC2=O)sc1C 13733256 JGOHLQJGCYNMJF-UHFFFAOYSA-N 403.551 4.494 30 40 HIEB C=CCN(C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccccc2)cs1 18085076 TUVKKBXZHPMMDB-UHFFFAOYSA-N 424.551 4.155 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)Nc4ccc(C#N)cc4)CC3)nc2cc1C 35313842 ZKOYQAAKGFXLAK-UHFFFAOYSA-N 424.508 4.339 30 40 HIEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(I)o3)S2)c1 59426758 CIUGYNFBTVWOFU-JYRVWZFOSA-N 424.263 4.393 30 40 HIEB CCOc1ccc(CC(=O)C2=C(NCc3ccccc3)CCCC2=O)cc1OCC 100162211 HEHRMXOFSNQBCC-UHFFFAOYSA-N 407.510 4.393 30 40 HIEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)C)CC1 257217828 DAUBSUPJSQDJOL-UHFFFAOYSA-N 404.554 4.463 30 40 HIEB C#CCOc1cccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)c1 409305963 OTWXOJMOFDJACL-UHFFFAOYSA-N 424.298 4.177 30 40 HIEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCN1Cc2ccccc2C1=O 867253 OHGRSXGPYWJCJW-UHFFFAOYSA-N 413.502 4.095 30 40 HIEB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2C(C)C)cc1 4329446 PVXCNENUECWVPZ-UHFFFAOYSA-N 407.499 4.137 30 40 HIEB Cc1ccc(S(=O)(=O)N/N=C(C#Cc2ccccc2)/C=C/c2ccccc2)cc1 4481577 QJHQBSBGPPAWMY-PZKIRFHCSA-N 400.503 4.394 30 40 HIEB COc1cccc(OC)c1C(=O)Oc1cc(C)c2c(c1)O/C(=C\c1cccnc1)C2=O 6662688 KBIXHVURNGIDBM-JAIQZWGSSA-N 417.417 4.243 30 40 HIEB N#Cc1ccc(OC[C@@H](O)CNC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6949601 GVEICCSPGYMWGR-URXFXBBRSA-N 411.505 4.201 30 40 HIEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@@H]12 20756203 DMMIXJHWIBEAFH-LEKAPFLCSA-N 400.607 4.251 30 40 HIEB biogenic CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)/c(=N/OC(C)=O)oc12 20849007 ZRNHBROSGUMMSL-LVWGJNHUSA-N 405.410 4.236 30 40 HIEB CCOc1ccc2ccccc2c1C(=O)NCC1CCN(c2ncccc2C#N)CC1 70929347 QKVRYQJGGRDJLQ-UHFFFAOYSA-N 414.509 4.152 30 40 HIEB Cc1nc(-c2ccccc2)sc1C(=O)/C(=C/N(C)C)S(=O)(=O)c1ccccc1 100916061 QKYYAZUTXRTFOV-JXAWBTAJSA-N 412.536 4.178 30 40 HIEB C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1CNCCO 229818507 JREAFELZSSHHGP-BKXMBWNOSA-N 403.563 4.246 30 40 HIEB C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1O 409404872 RGRDGQYTLOMQCT-UHFFFAOYSA-N 411.461 4.388 30 40 HIEB CCN1CCN(c2ccc(/N=C/c3ccc(OC)c(Br)c3)cc2)CC1 903895 DFXUPHAKVBVWCV-PXLXIMEGSA-N 402.336 4.350 30 40 HIEB C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(OC)cc2)CC1=O 4910647 KWILWBJJESKSGW-LJQANCHMSA-N 419.525 4.406 30 40 HIEB COc1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 5274937 XOVPRNBDEZCAJQ-RCCKNPSSSA-N 405.475 4.124 30 40 HIEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 5751729 GFMJGHGTSPDEDN-CPNJWEJPSA-N 408.479 4.235 30 40 HIEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@@H](C)Oc1cccc(C)c1 7780944 VIDMOVUEYNAKRV-QGZVFWFLSA-N 407.470 4.036 30 40 HIEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7790794 RUCKBIJKEPQJLE-FPTDNZKUSA-N 422.558 4.296 30 40 HIEB CC(C)(C)[C@@H]1CCc2c(sc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)c2C#N)C1 13580073 QXMHGAKDNUYASZ-GFCCVEGCSA-N 408.479 4.270 30 40 HIEB CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc([C@@H](C)CC)cc1 17082913 UNMSFMDUYTVQNO-RHNCAKJLSA-N 404.532 4.310 30 40 HIEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)n1nc(SCc3ccccn3)nc1N2 18198884 GLFSDQRWHDLNBC-LJQANCHMSA-N 407.474 4.127 30 40 HIEB N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccccc1Cl)N1CCOCC1 27792974 LJFFDMNFVBPPAZ-HXUWFJFHSA-N 408.889 4.352 30 40 HIEB N#Cc1nc(COc2ccccc2Cl)oc1N1CCN(Cc2ccccc2)CC1 54061544 FITISWJUEQZWMZ-UHFFFAOYSA-N 408.889 4.101 30 40 HIEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1nc(C)c(C)s1 102543681 QUXNWHFBEOIMSB-LFVOPCPISA-N 420.490 4.395 30 40 HIEB C=CCn1c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O 103356499 MMURDXBMNQFPOY-KEYYUXOJSA-N 419.978 4.269 30 40 HIEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(O)=NC1=S 1199257 SCTAJSLLQREWAF-UKTHLTGXSA-N 417.830 4.161 30 40 HIEB Cc1cccc(C)c1NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1354977 NFZJEJOSVOFHLK-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21 4555115 ZLWFYKGFZCAQPW-LECGRMGRSA-N 401.462 4.119 30 40 HIEB Cc1c(C#N)c(NC(=O)CN2CCCSc3ccccc32)n(C[C@H]2CCCO2)c1C 9908936 XSJLPAFJAPEKMJ-GOSISDBHSA-N 424.570 4.097 30 40 HIEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(F)cc2)cc1 9992097 YTSUWHUPNMEDTD-OAQYLSRUSA-N 418.424 4.008 30 40 HIEB C=CCN(Cc1cccs1)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 18147774 BFPOVYPMMHWGBZ-UHFFFAOYSA-N 410.499 4.346 30 40 HIEB O=[N+]([O-])c1ccc(N/N=C(\c2ccccn2)c2ccc3ccccc3n2)c([N+](=O)[O-])c1 27986647 LLALFRPEXYJXIZ-NJNXFGOHSA-N 414.381 4.311 30 40 HIEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 33617813 AFICYTGXFJDHTE-QGZVFWFLSA-N 420.538 4.239 30 40 HIEB Cc1c(C#N)c(SCC(=O)c2ccc(F)cc2)nc(N)c1C(=O)Nc1ccccc1 40486460 JKOCJNMIVMZPPT-UHFFFAOYSA-N 420.469 4.210 30 40 HIEB C=CCSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1 224879307 XTQDCWBUZQPRAP-UHFFFAOYSA-N 408.980 4.320 30 40 HIEB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 409145995 PJXNQJYMROKGLD-VAKVWIOVSA-N 417.468 4.394 30 40 HIEB COc1ccc2nc(SCC(=O)Nc3ccc(N4CCCC4)cc3)c(C#N)cc2c1 1354656 OFYKKLDDZXBPIR-UHFFFAOYSA-N 418.522 4.446 30 40 HIEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nc(C)nn32)cc1OC 4945089 KPMIMPIPSWSKEH-SBUREZEXSA-N 416.481 4.019 30 40 HIEB CCOc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 5129593 CFAOJPSAOOAQJW-JJIBRWJFSA-N 417.517 4.450 30 40 HIEB Cc1cccc(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 12786122 CFEQBFIKCDBFJG-KHUIZHDGSA-N 411.571 4.486 30 40 HIEB OC(C/C(CNNc1ccccc1)=N\Nc1ccccc1)(C(F)(F)F)C(F)(F)F 17000314 AXJDZDKCBPSPAP-RWPZCVJISA-N 420.357 4.317 30 40 HIEB Cc1ccc(/N=C(/[C@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 35616544 OBUUYWWUWWEPIX-KLLVQBIDSA-N 411.509 4.392 30 40 HIEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 102886180 PORKRXRUIDERGA-NHFXJNLRSA-N 422.412 4.147 30 40 HIEB COc1cccc(/C=N/c2ccc(OC[C@H](O)CN3[C@H](C)CCC[C@H]3C)cc2)c1O 252426424 BDVWBPNTQNOQKA-JHOKEFRNSA-N 412.530 4.154 30 40 HIEB COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C2CC2)cc1 96400510 SURRFOVRNHQOHS-SMIQVMJNSA-N 423.538 4.435 30 40 HIEB CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 100668945 LKGQHKVFPKGOTN-UHFFFAOYSA-N 412.526 4.494 30 40 HIEB CC(C)c1ccc(/C=N/n2c(-c3ccc(O)c(C(N)=O)c3)cs/c2=N/C2CC2)cc1 102960975 AJCBUPHAEPPBGH-IQXCXKBSSA-N 420.538 4.090 30 40 HIEB CCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 105677364 RFUSLMWZJDIBHE-UHFFFAOYSA-N 420.594 4.400 30 40 HIEB C=CCN(c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1)S(C)(=O)=O 224990178 GTEFJJYWYVKKKB-UHFFFAOYSA-N 422.934 4.088 30 40 HIEB N#Cc1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1-c1cccnc1)CCC2 803924 WOVUBQLPQLVMON-UHFFFAOYSA-N 404.470 4.374 30 40 HIEB CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc(Br)cc1 3199702 UPVQLCKYMRMSEC-KRWDZBQOSA-N 419.344 4.469 30 40 HIEB Cc1cc(N2CCOCC2)ccc1/C=C1/S/C(=N\c2cccc(C)c2C)NC1=O 9265131 YUUMSBBGBXTIAU-KGENOOAVSA-N 407.539 4.340 30 40 HIEB CCOc1ccc2nc(NCCNC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)cc2c1 35311786 DPPQOKFYSQCZBY-UHFFFAOYSA-N 418.541 4.250 30 40 HIEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)S1 59678796 MZEZGBJIQMIDEJ-HJPCULJESA-N 416.886 4.392 30 40 HIEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 102926835 WBTBKRODBZSCHF-HOGKFDNTSA-N 414.461 4.021 30 40 HIEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224939323 WGHVYVSTOBWTDA-UHFFFAOYSA-N 417.270 4.292 30 40 HIEB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCOCC2)cc1 225781612 GXEKZFSEDDJHLM-UHFFFAOYSA-N 408.498 4.289 30 40 HIEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)SC1=S 408820626 YYFNXMIYHJTFLW-WQRHYEAKSA-N 412.536 4.488 30 40 HIEB COCCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O 409033351 FCWLJVLJCNJTQD-UHFFFAOYSA-N 415.917 4.496 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409312567 LUJQQXZRKXZRSQ-UHFFFAOYSA-N 409.287 4.255 30 40 HIEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)S2)cc1 4694930 NJFKXMLSRGNAMO-CXUHLZMHSA-N 402.859 4.003 30 40 HIEB O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 5773820 ASDCKXQFWGZMMB-HYARGMPZSA-N 400.887 4.231 30 40 HIEB COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)on1 9462431 XCJDRUCUKNLLSV-IBGZPJMESA-N 424.840 4.428 30 40 HIEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ncn3nc(COc4ccccc4)nc13)O2 13574608 RHIAJEBIOJPIQN-NRFANRHFSA-N 424.460 4.235 30 40 HIEB CC(C)c1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1CCCC2 13758015 XFGGXOADYHVDJT-UHFFFAOYSA-N 419.598 4.474 30 40 HIEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc2c(c1)OCO2 13778478 HIWVISHIYDEMER-NKVSQWTQSA-N 404.349 4.390 30 40 HIEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)Nc4cccc(C#N)c4)CC3)nc2cc1C 35313843 HXDBVNYREYNGID-UHFFFAOYSA-N 424.508 4.339 30 40 HIEB CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc(C#N)c1C 40488476 NUJSVDZTOKRAKA-UHFFFAOYSA-N 404.316 4.053 30 40 HIEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1nc(C)cs1 44085753 SNZVHQYOUPMAKI-UHFFFAOYSA-N 415.500 4.140 30 40 HIEB COc1ccc(-c2nc(CN3CCN(c4nc(C)cc(C)c4C#N)CC3)cs2)cc1 97550214 AIEALTIOXKHQLC-UHFFFAOYSA-N 419.554 4.024 30 40 HIEB O=c1[nH]c(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2ccccc12 107811083 OYYMGHJCYYCEAG-UFFVCSGVSA-N 409.789 4.191 30 40 HIEB Cc1ccc(C(=O)Oc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 408879831 FPWXOKYTPZKBJA-LPYMAVHISA-N 420.381 4.477 30 40 HIEB O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1O 408963060 MBOHQSVGPUQFHL-NTUHNPAUSA-N 410.238 4.499 30 40 HIEB CCn1cccc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409294507 BBZFOASVBXFBDI-UHFFFAOYSA-N 401.308 4.160 30 40 HIEB CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 2438418 VABUXLZNIQBMOA-CVKSISIWSA-N 418.501 4.342 30 40 HIEB C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(F)cc1 4736240 YJVFNOBTPQIAIS-GFCCVEGCSA-N 403.508 4.154 30 40 HIEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/Nc2nc3ccccc3n2C)c1C 7343449 YKQBKBVGSNJLHA-YDZHTSKRSA-N 418.457 4.344 30 40 HIEB N#Cc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1Cl 8540612 FRIHAFXTJJDMIT-UHFFFAOYSA-N 405.841 4.433 30 40 HIEB CCCn1nc(C(=O)N2CCCS/C2=N\c2ccccc2)c2ccccc2c1=O 12538854 KSCDZHBIHLKHKY-FCQUAONHSA-N 406.511 4.073 30 40 HIEB Cc1c(C#N)c(NC(=O)CSc2nnc(C3CC3)o2)n(Cc2ccccc2)c1C 12854045 VNDYKHUIRBMPLN-UHFFFAOYSA-N 407.499 4.016 30 40 HIEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1nc(-c2cc3ccccc3oc2=O)cs1 13565057 FBIZPWGRIUVMEG-GDNBJRDFSA-N 416.414 4.014 30 40 HIEB CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 19830720 MRXOWRISFJEJCW-IERDGZPVSA-N 413.539 4.099 30 40 HIEB biogenic COc1cc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2cc1OC 35311889 QWJAXPJMPSRGCX-UHFFFAOYSA-N 421.478 4.057 30 40 HIEB C[C@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCc2ccccc2)C1 102680864 KZKWECNOANXDFR-NSHGMRRFSA-N 413.525 4.036 30 40 HIEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408728598 PNXQXFYJVMSXOM-MVENWUTESA-N 400.356 4.106 30 40 HIEB CC(=O)Oc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br 408753114 LMRQDJIVZNFSPT-YBEGLDIGSA-N 417.284 4.266 30 40 HIEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c[nH]c2ccccc12 409320890 DBTTUBUMZAURAC-UHFFFAOYSA-N 409.287 4.475 30 40 HIEB Cc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)c(C)c1 1354980 LARYTTDEOYUBRD-UHFFFAOYSA-N 405.479 4.225 30 40 HIEB Cc1ccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 2351957 CSLYERYRFFAHPJ-VULFUBBASA-N 412.497 4.030 30 40 HIEB CCCCCCCCNS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3097391 URDLITBIFJOYBO-UHFFFAOYSA-N 414.527 4.126 30 40 HIEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1 4571394 PIUUJWICZDNLGV-KAXIZBKFSA-N 413.524 4.395 30 40 HIEB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 4700685 JBKUWSHJZUDZJY-HLGQQVFSSA-N 417.918 4.329 30 40 HIEB CCc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C#N)cc2c1 4848929 IEFDFEDZXWILRD-UHFFFAOYSA-N 407.495 4.417 30 40 HIEB OC(C/C(CNNc1ccccc1)=N/Nc1ccccc1)(C(F)(F)F)C(F)(F)F 5062857 AXJDZDKCBPSPAP-MBTHVWNTSA-N 420.357 4.317 30 40 HIEB CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5868819 STSHDNCIXSKQNE-INIZCTEOSA-N 410.543 4.258 30 40 HIEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC 6294210 GTOJCMDAZRWGNV-NRFANRHFSA-N 409.482 4.391 30 40 HIEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(=O)OC)nc2c1 35290834 QUKDETODJKYNRU-UHFFFAOYSA-N 421.478 4.023 30 40 HIEB CC(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1 35672736 HWVWLPMPMABMHV-QFIPXVFZSA-N 417.513 4.217 30 40 HIEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 102525809 BJPUADXKLYEESL-MRJHHRETSA-N 403.434 4.219 30 40 HIEB O=[N+]([O-])c1cc(/N=C/c2ccc(O)c(I)c2)ccc1Cl 408962376 HWBKWRVENIQIKP-FRKPEAEDSA-N 402.575 4.309 30 40 HIEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC 409321766 HJMJPPGCHQURSZ-UHFFFAOYSA-N 401.308 4.205 30 40 HIEB