smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1c(C(=O)OCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 756761 RBOHCPYXAKSKMT-UHFFFAOYSA-N 420.559 5.843 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 101129559 BIKMNCYTBUNLCL-NTEUORMPSA-N 403.294 5.322 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)cc3Cl)cc2)C1 225378061 KBKHQTNOONUUFY-IAGOWNOFSA-N 419.396 6.040 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 408863411 NXHBRKZKQAKLHE-UWVAXJGDSA-N 413.926 5.359 10 40 HKCB CC(/C=C1\SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O)=C\c1ccccc1 5032687 BEEVPGDVKXPIBI-QWWHEIEGSA-N 406.359 6.346 10 40 HKCB CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 5177254 WQBYEXBMKKTEMX-UAXSDUFISA-N 419.554 5.247 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5219408 DGFBEHNNOLINPG-DMDYGQEQSA-N 410.577 5.540 10 40 HKCB Oc1c([C@@H](Nc2ccccn2)c2cccc(Br)c2)ccc2cccnc12 5590462 CEZRPXUKXINVND-IBGZPJMESA-N 406.283 5.299 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(F)c4)C(=O)N=C3O)o2)cc1 59137948 UPPJOVZWZVEVPX-LDADJPATSA-N 422.437 5.385 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)cc1C 208191241 METUFMLOXZTOSC-VYZAVGSRSA-N 419.594 6.108 10 40 HKCB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 223263025 CSGYMKWDVYALAW-UHFFFAOYSA-N 422.959 5.396 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)c1 408762284 NWWXRHGINRWDQL-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409178854 NSLJTYWCXSXSHG-HIPMGEKLSA-N 421.946 6.062 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(Cl)cccc1Cl 409031564 HJSZCHJJLVBEAP-ALCCZGGFSA-N 421.152 5.495 10 40 HKCB C/C(=C/c1ccc(N(C)C)cc1)c1cc(-c2ccccc2)[n+](C)c(-c2ccccc2)c1 685944550 WKJYXWINDLYUJL-UHFFFAOYSA-N 405.565 6.472 10 40 HKCB O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)cc1 2617190 IFYMOSLVTGTCAK-UHFFFAOYSA-N 406.872 5.117 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 5371716 RCRMBOMAHLLASM-RGEXLXHISA-N 411.548 5.222 10 40 HKCB O=C(Oc1ccc(/N=N/c2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 17542593 LSNKJMMPJRNFOF-BYYHNAKLSA-N 422.440 6.540 10 40 HKCB C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 20233252 JPMBWXPVXZPNGX-AWEZNQCLSA-N 406.507 5.150 10 40 HKCB biogenic Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260774872 NYUZDYUEHVJEFI-MQNAVGNWSA-N 402.567 5.387 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Br)cc2)c1 408759917 OAZFPMAIQMDASR-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB CCN(CC)c1ccc2c(c1)sc(/C=C1/Sc3ccccc3N1CC)[n+]2CC 685944774 WGOXNAXLRHSYRR-UHFFFAOYSA-N 410.632 5.986 10 40 HKCB CCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c(O)ccc3ccccc23)c1 2745716 VZTVQKKFPYZENW-RUZDIDTESA-N 410.473 5.715 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5478295 XFGYWZZFLOUEQF-SSPYTLHUSA-N 412.599 5.103 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 15229504 ACOYDVICKLLXEB-SWJOHRQSSA-N 416.352 7.249 10 40 HKCB O=C1/C(=C\C=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 59514497 HFKGZBKHFPLQCU-ZRQJSYPSSA-N 402.884 5.210 10 40 HKCB CCN(C(=O)COC(=O)c1ccccc1/N=N/c1ccc(O)cc1)c1ccc(F)cc1 102907721 GXPIAOZZHWWIDJ-OCEACIFDSA-N 421.428 5.157 10 40 HKCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225795650 PNYYOIHUXAYSJA-UHFFFAOYSA-N 401.885 5.090 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260839148 JDGYTIPZRAGZHA-FDFHNCONSA-N 422.613 5.999 10 40 HKCB Oc1ccc(Br)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2745460 RBAFPHOWXLPNFT-FQEVSTJZSA-N 422.282 5.005 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 4106806 VZTFCSSENSQTJK-DEDYPNTBSA-N 412.942 5.485 10 40 HKCB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4719217 PEAJKLSPTAFZRY-CYYJNZCTSA-N 415.884 6.502 10 40 HKCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O)=C\c1ccccc1 16805076 ZAAAUNSWOYDONU-KBWOEQRPSA-N 422.575 5.253 10 40 HKCB COCCn1c(-c2ccc(Br)cc2)cnc1SCc1ccc(F)cc1 44085937 URVIDEQMLABFFU-UHFFFAOYSA-N 421.335 5.390 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219302525 UZXHMVNMUYJEMR-ZPMCFJSWSA-N 408.586 5.493 10 40 HKCB Cc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408976590 RSFLYNAZFWXVBZ-UHFFFAOYSA-N 413.480 6.650 10 40 HKCB CCCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S 409211815 OQRQBLXSVRVDHM-RCCKNPSSSA-N 422.575 5.332 10 40 HKCB C[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 26675861 INTNPLASRNNQKM-DBZAVIBRSA-N 417.555 6.232 10 40 HKCB O=C1/C(=C\C(Br)=C\c2ccccc2)SC(=S)N1C1CCCCC1 100813640 GLEWVMIFFMPJOX-ILYHAJGMSA-N 408.386 5.499 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208469519 YUEJAAOLEBRHIU-JAIQZWGSSA-N 421.928 5.065 10 40 HKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(Br)cc1 408722538 JWTJYWGZTYVQID-LCYFTJDESA-N 406.073 5.193 10 40 HKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 97965332 QQRLPINOIZKSRR-BCAKAMLXSA-N 407.424 5.398 10 40 HKCB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cn(Cc2ccccc2)c2ccccc12 209377021 JVZITCFEVGOBGJ-MTJSOVHGSA-N 418.418 6.201 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 260781101 SLZCTUGUTCGWQA-VSDWSMLSSA-N 418.566 5.169 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408998359 UHYXLAPNPAQOAM-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409153203 LSTWTIKCQXIELW-PSTGCABASA-N 406.225 5.636 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCC 409351209 ZHPHMKMRKDELNQ-HKWRFOASSA-N 413.564 5.670 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5219410 DGFBEHNNOLINPG-ARMFNRFLSA-N 410.577 5.540 10 40 HKCB CCN(CC)c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])c(OCc2ccccc2)c1 15009415 JLZNBPYQISLRQT-WYMLVPIESA-N 407.470 5.487 10 40 HKCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32593973 QRWCXZYJZDLIOH-OOWUWCJESA-N 417.571 6.503 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 58929079 YFKQICZOLVNGRJ-IIYDPXPESA-N 405.679 5.837 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 214472566 OAMPLVYMAMPUHD-UDWIEESQSA-N 419.458 5.190 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 218940715 WKNZARNLCCDSDV-SJLPKXTDSA-N 400.950 5.141 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3F)cc2)CC1 222711124 WMWOTKZYKXAVEL-GOSISDBHSA-N 400.563 5.173 10 40 HKCB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408755140 BPVWHGAQMFYZJY-LFVJCYFKSA-N 420.516 5.757 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409155979 SGWYCMVNGVUJSQ-VGTOOOLASA-N 405.237 5.426 10 40 HKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 1417232 FIJJBXUIZXWPCO-VIZOYTHASA-N 410.303 5.128 10 40 HKCB COC(=O)[C@]1(/N=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)CCCC1=O 33354012 FGXYBZXULAIHKO-YNIWUXQGSA-N 414.461 5.475 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113836627 PLFNZCALAXQGHK-LDADJPATSA-N 408.460 5.261 10 40 HKCB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218115177 LXVYFUUDRVSPBG-RTBURBONSA-N 412.599 5.042 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4F)c3C)N21 222696433 WUPQPYKOTKGCSF-PDIWNELESA-N 420.557 5.608 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 222698962 AONUXKQNOCGGRN-NLSFWIRASA-N 418.566 5.174 10 40 HKCB C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1 224595392 ZGQIZSVZXVMNJP-INIZCTEOSA-N 420.981 5.580 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(F)cc1 408986586 QTMYGNFXEFIWNF-SFQUDFHCSA-N 410.275 6.604 10 40 HKCB CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 409037590 DECWOTHVFCSJAV-CPNJWEJPSA-N 411.427 5.627 10 40 HKCB Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 2070177 NGRNPJMUOOSRQA-QVCLANMBSA-N 418.378 6.652 10 40 HKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2O)N3)C1 4554552 XMUNLYUKWSIBTM-BUXKBTBVSA-N 400.544 5.432 10 40 HKCB CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 4959837 KXGUMKSWYVWGFR-IBGZPJMESA-N 403.309 5.643 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 6044377 PCWOQHWIBQUGOF-HMAPJEAMSA-N 418.493 5.796 10 40 HKCB c1ccc(-c2nc3ccccc3n2/N=N/n2c(-c3ccccc3)nc3ccccc32)cc1 6982290 PFYYQYPIMPREIC-QVIHXGFCSA-N 414.472 6.399 10 40 HKCB Clc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 7096102 OLJYNICISKGTFQ-ZYLNGJIFSA-N 403.978 7.459 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 7097025 UTSYBTNUMCOWEQ-AXHZCLLHSA-N 402.881 6.742 10 40 HKCB CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@H]21 10215906 DNLGNANDJKVQJH-JPYJTQIMSA-N 406.507 5.403 10 40 HKCB COc1ccc(Br)cc1/C=C1\SC(Nc2ccc(C)cc2C)=NC1=O 35419543 YLGQQCMUESHSJL-YVLHZVERSA-N 417.328 5.157 10 40 HKCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219376882 AOUJVRNGHSQFHV-ZJSXRUAMSA-N 408.586 5.575 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3C)C2=O)cc1 408761760 HKBZCSLBBQHEOA-HKWRFOASSA-N 401.893 6.128 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 408765280 KZTMESYAMFDNKO-FYJGNVAPSA-N 407.300 6.136 10 40 HKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)c(C)c1 409220490 AOKJTRFMYVWYLA-OEAKJJBVSA-N 413.521 5.112 10 40 HKCB CCCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S 409343462 HPXBKWORDWCMEV-KGENOOAVSA-N 406.576 5.609 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)cc1 409346073 NASIADVDROYJGM-MOSHPQCFSA-N 413.564 5.526 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 2962561 NJMKLMCYTKNJQS-STZFKDTASA-N 405.544 5.640 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/N=N/c2nc3ccc(OC)cc3s2)cc1 4314588 BKQNVXIFCUZQJJ-OCEACIFDSA-N 402.523 6.747 10 40 HKCB CCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)cc1 4758331 KTAYWQSBDYZAKM-MBALSZOMSA-N 410.455 6.163 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C 96499255 IAFXABXGDQSUGV-LPYMAVHISA-N 403.913 5.862 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916055 PGSCVRYPLPSIOE-ITMXKKHJSA-N 423.641 5.510 10 40 HKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1ccccc1 224186911 MSQVWRRRZASPCC-ZEQRLZLVSA-N 410.546 5.358 10 40 HKCB CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 4620903 VQQZHPLJSKGKRU-HSZRJFAPSA-N 403.913 5.398 10 40 HKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2ccccc2c1 8763451 HWBYNFBJHNGAGA-XMHGGMMESA-N 422.531 5.053 10 40 HKCB aggregator CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916180 AFLVJSJCGOFTTI-HIESWNFHSA-N 407.642 6.540 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)cc2)C1 223146935 BLZRQRVXVDSTCG-NJDAHSKKSA-N 420.597 5.446 10 40 HKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260762255 HDMDHZKAAORQCE-FNZWTVRRSA-N 420.597 5.276 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260762979 HYALREHPWQTQAM-FCHUYYIVSA-N 406.599 5.096 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736125 GSIOERCELITCBZ-UMFSSWHCSA-N 401.937 7.054 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(F)cc1 408740340 BDYDDZXXIQAROG-FYJGNVAPSA-N 416.448 5.703 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409329275 DCQSHBRNFSZFEP-NPRIEWAGSA-N 413.564 5.587 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409374993 CROAYIGMZQVJKM-HMAPJEAMSA-N 417.505 5.064 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 5959338 QJEJTAALRYJTGQ-MHWRWJLKSA-N 410.347 5.798 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 41082887 NWZOKQXLPSTAMY-YXBAXSDQSA-N 423.517 5.043 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408840878 CRGCPLVCPIVDEW-OQLLNIDSSA-N 417.317 5.619 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1Cl 408987273 VQTFECASTBMVCY-CPNJWEJPSA-N 406.312 6.773 10 40 HKCB Brc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1 409156666 LOHXGVJBQOWZHN-XPNTWCBSSA-N 402.335 6.943 10 40 HKCB Nc1c(N2CCCC2)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 4808770 MZXULTSDJOVZSZ-UHFFFAOYSA-N 417.896 5.041 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)ccc1Cl 7097628 QYQDBLQEXUUZBO-YDHSSHFGSA-N 402.881 6.742 10 40 HKCB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 14862388 AFYPAPLMOSFYSG-WCWDXBQESA-N 413.886 5.411 10 40 HKCB FC(F)(F)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 408737698 VLIZPBHBPMIDJA-WDZJFXIESA-N 415.458 7.838 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1C 9188590 WEHBGHYCSLOLFZ-JCMHNJIXSA-N 401.556 6.376 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C1=O 20238454 QYSBPWNJJDPGPG-NOMGLIDZSA-N 424.522 5.768 10 40 HKCB c1ccc(Cn2cc(C3Nc4cccc5cccc(c45)N3)c(-c3cccnc3)n2)cc1 70453968 RWSRVJOUHFEGNL-UHFFFAOYSA-N 403.489 5.683 10 40 HKCB CCOC(=O)[C@H](Cc1ccccc1)n1c(C)ccc1-c1ccc(Br)cc1 95951483 ZJSOQGZENKTEFP-NRFANRHFSA-N 412.327 5.573 10 40 HKCB COc1ccc(N2C(=O)/C(=C\C(C)=C\c3cc(Cl)ccc3O)SC2=S)cc1 98086345 DJBOCEUSMFKLMV-QLEPDINUSA-N 417.939 5.406 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc4ccccc34)cc2)C1 260455448 RBHZTYWWGOPSJM-VQTJNVASSA-N 402.538 5.332 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408758018 UNLDMGZGSHZPFH-LFVJCYFKSA-N 406.489 5.448 10 40 HKCB Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)cc1 409125721 AQLBXYYOEJPUPR-STZFKDTASA-N 422.575 5.250 10 40 HKCB CCN(CC)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)c1 883014 AGPLEHHSHUXJNN-UHFFFAOYSA-N 402.951 5.102 10 40 HKCB CCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C 4331777 KSIZUTVDJYRPBL-CWGXUGAXSA-N 409.618 5.008 10 40 HKCB COc1cccc([C@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1OC 4664565 BOKUEZDPRWVPMX-JCGVRSQUSA-N 404.279 5.432 10 40 HKCB C[C@H]1CCCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1 4819975 ZDFSFPZAHDFSJH-INIZCTEOSA-N 409.489 6.019 10 40 HKCB CC(C)c1ccc([C@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc23)cc1 4977228 FJWJYLJUSISHOQ-LJAQVGFWSA-N 423.556 6.507 10 40 HKCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 5740251 HCYIVZMKLCIMFT-VHSZZVNMSA-N 406.485 7.036 10 40 HKCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)c2cc1C 6747970 ZMQUHGLTJWQRMB-QFIPXVFZSA-N 420.553 5.245 10 40 HKCB O=C(Oc1cccc(/N=N/c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 13403751 FCTSSWFCZGVIME-BYYHNAKLSA-N 422.440 6.540 10 40 HKCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)SC1=S 16790600 OANWZDJCSXPKLO-XMHGGMMESA-N 411.548 5.216 10 40 HKCB O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccccc1 33660042 TZJGFJCPUKXSJY-KGENOOAVSA-N 421.518 5.811 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 101151560 LFJRRMWGJUWZMX-VLXJIEOASA-N 405.281 6.127 10 40 HKCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225228179 OEMTXQIQUKGOTN-IAGOWNOFSA-N 400.950 5.466 10 40 HKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408983733 CCFCEKSJESXEEN-XMHGGMMESA-N 401.849 5.510 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409161168 WZTOXFNPYVPJTK-FTLABTOESA-N 419.264 5.515 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)ccc1Cl 409165011 QYQDBLQEXUUZBO-PWHSHALESA-N 402.881 6.742 10 40 HKCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 409212400 LWDSQHWGXUUGKH-YBFXNURJSA-N 423.925 5.692 10 40 HKCB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c1 1240149 LSGICXVKWKNVSI-DEDYPNTBSA-N 407.516 5.263 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O 1246967 CBQKRGNQVRROSO-PJQLUOCWSA-N 412.319 5.113 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1Cl 2964950 DBTNUNYVQSVOBU-WQRHYEAKSA-N 419.955 5.149 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 5214046 VXHVDXIECQNSHD-SDXDJHTJSA-N 421.584 5.189 10 40 HKCB O=C(c1ccccc1)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1 16476900 QXMRHIVMGOJXRT-GHVJWSGMSA-N 422.466 5.139 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408763174 NZRAAHZSXQKLLO-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCC 408894586 RMDNMLRRZIOYOU-RGEXLXHISA-N 411.885 5.006 10 40 HKCB CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 408903449 YBYWAWPDNLVJDZ-NLRVBDNBSA-N 411.549 6.243 10 40 HKCB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409327976 OOGPRPKDXIXSSH-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3C)C2=O)cc1 1183417 CCLVWVRDQNHXTA-XSFVSMFZSA-N 424.591 5.232 10 40 HKCB O=C1c2ccccc2-c2onc3c(N4CCCCCC4)cc(N4CCCCCC4)c1c23 2026161 YLWHVRZKHPRQHA-UHFFFAOYSA-N 415.537 5.800 10 40 HKCB Fc1ccccc1[C@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 4063812 FIVHFHLIFPNXEH-UECAXCCHSA-N 422.341 6.483 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccccc2)SC1=S 6523182 KTRAWKDBDIDDDZ-UKQGIEBLSA-N 415.539 6.092 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1 9188501 JKBIPGBTOOELLV-YBEGLDIGSA-N 410.347 5.798 10 40 HKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 9232608 AUDLYKWLUIIFAF-KGENOOAVSA-N 420.559 5.320 10 40 HKCB CCOc1c(/N=N/c2ccccc2Cl)c(-c2ccccc2)nn1C(=S)S 17140008 ITALQPCUIJXJAA-QZQOTICOSA-N 402.932 6.080 10 40 HKCB C/C(Nc1cccc(F)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 101388962 NKFAIHDVFXZOJO-GDNBJRDFSA-N 420.391 5.086 10 40 HKCB CCc1ccc(C2C(=O)c3c(-c4ccccc4)ccc(-c4ccccc4)c3C2=O)cc1 105628324 IIHYKAIDRWXTDC-UHFFFAOYSA-N 402.493 6.746 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 222703849 RAQSTVRIUQGFTC-OFAXGOBFSA-N 417.582 5.172 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(F)c1 222828753 RLKYJSSVPABJHR-FCHUYYIVSA-N 408.546 5.009 10 40 HKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C)cc1 408946139 YDHLMAQKIPYRBF-XQNSMLJCSA-N 410.473 5.016 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1cccc(C(F)(F)F)c1)C(F)(F)F 408999486 CZWFHDKKEHKRHR-NXVVXOECSA-N 413.321 5.356 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409329276 DCQSHBRNFSZFEP-OOWUWCJESA-N 413.564 5.587 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)SC2=S)cc1 2770515 XBGAYQCVTLVFGI-HKWRFOASSA-N 412.580 5.337 10 40 HKCB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 3283217 IQRMNGSLMMEJHW-UHFFFAOYSA-N 413.420 5.044 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 6273027 VJFDCJKIRGXKLY-MHWRWJLKSA-N 409.363 5.465 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 8101588 OEGUCIMKOUDTTM-IYOUNJFTSA-N 407.819 5.972 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 8821846 UKOHJLBYNHHOHV-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\N(Cc1ccccc1)c1ccccc1 33765297 SRMQIJFZUMQRFE-QJOMJCCJSA-N 401.897 5.653 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3cccc(Cl)c3)cc2)CC1 218037000 ZBCIUXGXXCUUFA-GOSISDBHSA-N 417.018 5.687 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 408765186 ZXIDLKIAJVAQCP-FYJGNVAPSA-N 423.299 5.837 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(O)=NC2=S)cc1 2285093 JUTAAMKKSYKGBX-KGENOOAVSA-N 421.566 5.590 10 40 HKCB O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2ccccc2c1 2636143 MFZGBQDDPHGHKO-UHFFFAOYSA-N 406.941 5.479 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916053 PGSCVRYPLPSIOE-XZHNBTELSA-N 423.641 5.510 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)CC1 219029453 WBXUVEGEENKQCB-NHCUHLMSSA-N 416.565 5.721 10 40 HKCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219324298 NROMPWHSEKXIBT-IEGUWTFLSA-N 414.977 5.611 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222827171 ZXETZVDOVAQBIT-XZOQPEGZSA-N 404.583 5.178 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(F)cc3)c12 409140847 GGQZIOJECDEEMN-ODLFYWEKSA-N 410.539 5.222 10 40 HKCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O 409333762 VPNBNASKRWCTDO-KGENOOAVSA-N 405.544 6.033 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1Cl 1416435 XPISLJXRGHGYRZ-GIJQJNRQSA-N 414.939 5.246 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4132058 DDEKIEWNLHPDSL-NEMUNFNQSA-N 412.489 5.692 10 40 HKCB Fc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 6444990 IVLXELQAFLPJBS-WPUDHWPRSA-N 422.341 6.483 10 40 HKCB CN(Cc1cc(Br)cc(Br)c1O)Cc1c[nH]c2ccccc12 31666708 CYZVKNLQWCNKFE-UHFFFAOYSA-N 424.136 5.031 10 40 HKCB COCCn1c(-c2ccc(Br)cc2)cnc1SCc1ccccc1 44085935 GHABAQLNQAPYHY-UHFFFAOYSA-N 403.345 5.251 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4C)c(Cl)c3)C(=N)N12 103563505 HXXUXZPCTZUGTA-ALRRYEELSA-N 423.925 5.394 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)c1 208231699 AOKDMQSPUTVJSI-RIWZNOJBSA-N 419.594 6.108 10 40 HKCB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 222898472 KHIHZTNPVJPQGC-RNHFSVANSA-N 408.586 5.520 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 408760030 QFCLXWFTRCVXAX-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB CCc1cc(C)cc(OCCn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)c1 1205777 QLLLJXWHKQLHOB-BKUYFWCQSA-N 422.575 5.080 10 40 HKCB Nc1sc(/N=N/c2c(Cl)cc(Cl)cc2Cl)c(-c2ccncc2)c1Cl 8453699 IAOSYEUAASZQEV-GHVJWSGMSA-N 418.136 7.421 10 40 HKCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1 13714736 LSGICXVKWKNVSI-MOSHPQCFSA-N 407.516 5.263 10 40 HKCB Cc1ccc(Cl)cc1N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 58160387 KNQCJBGOLVFZGZ-UHFFFAOYSA-N 401.337 5.483 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409020628 RHAPUMFXGKXVPA-MKFNJMOCSA-N 402.947 5.891 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccccc1 409210628 JVIZLIUUWGHOBK-CJLVFECKSA-N 402.519 5.373 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409344645 HWJOTAGHTBYLPP-XDHOZWIPSA-N 423.519 5.365 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c(C)c1 409348865 SWEFPSGXBOKTBF-CXUHLZMHSA-N 404.900 5.271 10 40 HKCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 1431393 HAEDMNUJTNJAAL-XMMPIXPASA-N 423.520 5.030 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 33376118 LSJYPAXOTKJBBQ-MOSHPQCFSA-N 408.910 5.988 10 40 HKCB CCN(CC)c1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 57396358 AKJYCLYHRZMBBN-DEOSSOPVSA-N 412.537 5.692 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 222615052 OPNDOGRDEHRUJU-UZQPLGKSSA-N 422.985 5.732 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260578874 WKNZARNLCCDSDV-FUHWJXTLSA-N 400.950 5.141 10 40 HKCB COc1ccc(C(=O)Nc2ccc3nc4ccc5ccccc5c4nc3c2)cc1OC 408977152 UPNYWBWBZOBMOY-UHFFFAOYSA-N 409.445 5.206 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CCCCC2 920935 YANPJCGVZQFSRV-UHFFFAOYSA-N 421.566 5.675 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(O)=NC2=S)c1 2211614 CKWWOEAADBBRKZ-LTGZKZEYSA-N 419.550 5.047 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222612116 LMPKRBGLNRKLDW-PDIWNELESA-N 402.567 5.387 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1F 222613429 KAYMOCMSAMCTPE-ITEAAPOESA-N 406.530 5.218 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222690532 ASGQWKFJGUYDQZ-MQNAVGNWSA-N 422.598 5.060 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222828161 NCKNJIFAWXBCOY-RPWUZVMVSA-N 418.610 5.432 10 40 HKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 224220158 LEBKWALALXXCQE-LOSJGSFVSA-N 424.573 5.666 10 40 HKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 225655021 NEGAPRXYAXDQQC-MRXNPFEDSA-N 418.006 5.633 10 40 HKCB CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)ccc1O 1631690 RUZNUFSUWSRIHK-UHFFFAOYSA-N 424.548 6.171 10 40 HKCB in-vivo Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Cl)cc2)c1 408762390 OLFIKMDRANCBHY-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Cl)cc1 408765283 OTQAZPKCJBBSAA-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O 409348976 UDFMJWIEZKAUDU-HMAPJEAMSA-N 419.571 6.261 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21 1636166 FHCJBAWEUMKLHQ-PXNMLYILSA-N 401.876 5.051 10 40 HKCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)ccc2O)N3)C1 4545438 GHNLJVKVRLUJGS-ABKXIKBNSA-N 407.333 5.160 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 8821564 IGBKJGMTRNUDLW-WQRHYEAKSA-N 422.402 6.742 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 9232303 SAPKOBWJHFUSET-LHHJGKSTSA-N 418.729 6.192 10 40 HKCB COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1Br 15008605 VCKYHMRACUWEET-MHWRWJLKSA-N 420.353 5.172 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834618 QRUUIMSSCDAAKE-RPWUZVMVSA-N 418.610 5.487 10 40 HKCB Cc1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1Cl 408734693 IOZREXVHGMPMBE-UHFFFAOYSA-N 423.969 6.312 10 40 HKCB Cc1cc(OCCCn2c(C(=O)O)c(C)c3cc(Cl)ccc32)cc(C)c1Cl 2037873442 KSRXKJUPVWZCSA-UHFFFAOYSA-N 406.309 6.041 10 40 HKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc2ccccc12 2395172 YUHNLTKUUVYQKW-IWIPYMOSSA-N 421.525 5.018 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1sccc1C 20426794 QXBIHQLLLXDQFJ-LCYFTJDESA-N 408.306 5.241 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 408740365 BKDMYQLEGXLIRQ-OEAKJJBVSA-N 412.485 5.872 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(C)c2)cc1 408755881 PTSHKMKTQDVJLP-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Cl)cc2)c1 408840722 DISDPPMFVOAPBK-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 5148407 BCYLGMCDRWDCON-MZKUHISZSA-N 424.560 5.180 10 40 HKCB CC(C)(C)NC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 6761740 PRLTZIHRFPAFTJ-UHFFFAOYSA-N 410.546 6.174 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1Cl 9188627 KKNBRPKPILGDHZ-NVNXTCNLSA-N 424.772 5.817 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2)cc1 13039038 VHUSFIMWYSQRJG-HAHDFKILSA-N 414.530 5.965 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c2ccccc21 33371435 LDVAMJOHXZWZFM-WQRHYEAKSA-N 423.925 5.376 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409000490 YKJCGYQDLKGBMU-LPYMAVHISA-N 418.928 5.316 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCC(C)C 409047784 PLELITUJNVVLIE-VCHYOVAHSA-N 403.309 5.834 10 40 HKCB CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1 1323106 STFAFNSTEPHHIS-QHCPKHFHSA-N 420.553 5.315 10 40 HKCB biogenic Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2N=C(CCC3CCCCC3)SC2=NC1=O 5164429 ZEMARWSRINPWDB-SDWZUDADSA-N 419.554 5.456 10 40 HKCB CCCCc1cc(=O)oc2c(CNc3ccc(Oc4ccccc4)cc3)c(O)ccc12 13692628 YFLKFPVXGLRVPE-UHFFFAOYSA-N 415.489 6.246 10 40 HKCB C[C@@H](c1ccccc1)N1COc2ccc3c4c(oc3c2C1)C(=O)c1ccccc1C4=O 21670263 ALJXQYRJBKNWOR-HNNXBMFYSA-N 409.441 5.121 10 40 HKCB biogenic CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O 80325229 DJXQDKQZDJDABV-QHSLDKKCSA-N 419.308 5.317 10 40 HKCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)sc2c1 100552419 UWPHIJFIACSBQM-WJDWOHSUSA-N 412.902 5.067 10 40 HKCB [O-][N+](=Nc1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 104036743 BMRCRKGXUGEOFS-UHFFFAOYSA-N 414.555 7.915 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)N(C)C2=S)cc1C 409131500 IQMTTXLMGCVDDO-HMAPJEAMSA-N 407.583 5.441 10 40 HKCB CC(C)(C)c1ccc(O)c(CN(Cc2c(O)ccc3ccccc23)C2CCCCC2)c1 1681078 DCXFQOGCYSVVMB-UHFFFAOYSA-N 417.593 6.883 10 40 HKCB in-vitro Oc1c([C@H](Nc2ccccc2Br)c2ccccc2)ccc2cccnc12 8617643 ZTTCRWKPIONBEL-HXUWFJFHSA-N 405.295 5.904 10 40 HKCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 58850409 MXAKYYIOSXDZNY-UHFFFAOYSA-N 402.519 5.562 10 40 HKCB CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 108149720 ROAPKVMCQPAHHN-MOPGFXCFSA-N 409.530 5.272 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 218540594 HAMSBGDHEQGJLA-NRFANRHFSA-N 406.614 6.030 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccccc1 408755370 UKAXTJAPLFZOJG-JJIBRWJFSA-N 408.888 6.328 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N1 408879988 IBEZGMLGVYQMQQ-KCYKTTMJSA-N 411.888 5.942 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408903089 UKRUSAFRZIEFTE-RNEAKCBISA-N 403.956 5.923 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 8766428 AMYMHOCHSBPUEF-QZQOTICOSA-N 416.846 5.464 10 40 HKCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl 96592346 ASLLDXOTOOMZNT-AUWJEWJLSA-N 400.739 6.053 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222828021 MEVALEWKRXZKSP-ZEQRLZLVSA-N 418.610 5.432 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 408756384 ROMVXCPPNBNDED-LFVJCYFKSA-N 424.887 6.033 10 40 HKCB Cc1ccc(-n2cccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl 409020579 QSAUAKXBJNXZDU-UYRXBGFRSA-N 410.951 5.845 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 409065652 IMSCBONMTLBNBF-UNOMPAQXSA-N 416.905 5.316 10 40 HKCB COc1ccc2c(C)cc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nc2c1 3198173 LBQPENPYLQOAAC-UHFFFAOYSA-N 416.546 5.934 10 40 HKCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@@H](C)C4)c23)c(C)c1 5182572 FVYGZWZPPMDTSA-MRXNPFEDSA-N 406.526 5.548 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 40005892 VPUOKDBIEBMMPU-PXNMLYILSA-N 410.347 5.403 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Cl)c3)SC2=S)c(C)c1 41108543 MMAMIJUTEYPLNX-WQRHYEAKSA-N 402.972 5.429 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408794624 JRRUZTAFVVVOFK-YVLHZVERSA-N 402.277 5.179 10 40 HKCB Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1C1CCCC1 409132674 LGHKQAQVTQJGGD-ZHZULCJRSA-N 402.629 6.002 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1C 409335258 ZVOSHHXVNOTSMZ-PXNMLYILSA-N 410.347 5.716 10 40 HKCB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 3248689 HCGZQVOUCOCPDE-MRXNPFEDSA-N 422.500 5.542 10 40 HKCB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c(C)n1-c1ccc(F)cc1 6786786 NNRPHZULYJPZGP-UHFFFAOYSA-N 405.242 5.387 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)C1 44854985 DZNBYVSKCQXRNN-FCHUYYIVSA-N 419.613 5.400 10 40 HKCB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218043630 NNZWHVNWSKULSD-MSOLQXFVSA-N 417.018 5.687 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c(C)c1 408987068 VJXVAHJMOXXPAS-DEDYPNTBSA-N 420.339 7.082 10 40 HKCB CN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 2878533 SGHKRQNIWLNLAX-AQTBWJFISA-N 419.955 5.019 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3)SC2=S)cc1 5183835 YWWMSPVMGDJGLY-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 48520810 PKLDUVNLCLKDAJ-RIYZIHGNSA-N 400.739 6.053 10 40 HKCB CSc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 58850938 FKVZBUKHEZHWCR-GJYPPUQNSA-N 419.331 5.840 10 40 HKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1cccc(OCc2ccccc2)c1 106115598 PHDYYFBAQDXKPP-KGENOOAVSA-N 420.921 6.001 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219330498 SWGGILNKBUXHBY-OFVILXPXSA-N 408.586 5.575 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(Cl)c(C(F)(F)F)c1 408947558 NYGWZLGFNAXQRU-UHFFFAOYSA-N 411.782 5.973 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc34)SC2=S)cc1 1013895 GOULRSRVAYMEAC-MOSHPQCFSA-N 407.516 5.263 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@H]2CC=C[C@H]42)c1 4714354 WQAFVILMELQOJK-MSBWEVJISA-N 404.897 6.143 10 40 HKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1 33869143 BSAGUZDIUOBWEV-JCMHNJIXSA-N 417.555 5.667 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1 58929067 GNJQTNSUXBTVGQ-VGTOOOLASA-N 406.225 5.636 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc(Cl)c1 59514499 IKZMEXFUPRTOOY-ZSOIEALJSA-N 400.739 6.053 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 214208264 RGJJHVIWZNCFHF-FYJGNVAPSA-N 406.482 5.470 10 40 HKCB O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 2258026 VTXYFDYJCBKWJJ-ZHZULCJRSA-N 405.500 5.590 10 40 HKCB O=C1/C(=C/c2cccs2)SC(=S)N1C1c2ccccc2Oc2ccccc21 4769084 ZTTLKTRQVAGUBZ-PDGQHHTCSA-N 407.541 5.845 10 40 HKCB Nc1c(C(=O)O)sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 27587072 HUMALXVNTWMYHU-UHFFFAOYSA-N 417.206 5.025 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 106688270 FKXSCMZMXWGILY-ZHZULCJRSA-N 412.942 5.567 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl 218925324 GUFCOJXGSGRXDE-APWZRJJASA-N 414.977 5.449 10 40 HKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1OCc1ccccc1 218986715 IVFBQVBTVCZEPA-UHFFFAOYSA-N 400.522 5.186 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2F)cc1 408756210 YDOLGBOZXULSQG-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1 5689508 ZEDRHEYDFWGBCJ-IBGZPJMESA-N 412.489 5.431 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 6304535 BDNLEIWCPBBREO-CKFHNAJUSA-N 424.260 6.303 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1C 15133524 UJSLZOXWIPDPEP-CAOOACKPSA-N 423.390 5.881 10 40 HKCB CN(C)c1ccc(CNCC[C@@]2(Cc3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 32074591 UTZYUTKEYFHNDB-VWLOTQADSA-N 415.021 5.704 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 35040802 SBOIYJUWLKFADZ-XSFVSMFZSA-N 413.564 5.539 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2Sc3ccccc3NC3=C2C(=S)c2ccccc23)cc1 100416272 QYSPMKGKUFZYSW-JOCHJYFZSA-N 402.500 5.997 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc21 208453844 FSPQMWKVYYMGHH-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222785465 SAQFTYPXYKOGFT-NHCUHLMSSA-N 410.974 5.135 10 40 HKCB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 227486779 XRMHDDXDIBTZBZ-FDDCHVKYSA-N 406.507 5.403 10 40 HKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408756735 JDSLITHYYUBXHV-BUVRLJJBSA-N 424.479 5.588 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 409348533 OFLNPHJQJBSJRA-YVLHZVERSA-N 424.374 5.794 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6505762 NICXHUPCYXTKHW-OBGWFSINSA-N 423.575 5.622 10 40 HKCB O=C1NC(=S)S/C1=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 9310474 ROHIPGIFRVDPOP-CAOOACKPSA-N 419.358 5.485 10 40 HKCB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCCC2)cc1 20493663 FBWFEQYVQLBNEC-UHFFFAOYSA-N 423.409 5.533 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 35039067 FHVLHRGXHJUQIV-XSFVSMFZSA-N 413.564 5.452 10 40 HKCB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 44086314 UVVSRLDHZFOSDG-UHFFFAOYSA-N 405.567 5.011 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N12 103563261 CRVSWHJGFMPKEN-JFBLTNLISA-N 414.893 5.054 10 40 HKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1011340 CXMAAVOCFYXCBV-MOSHPQCFSA-N 407.564 5.420 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 6952908 SOELNBRTBGOSRU-PMUMKWKESA-N 401.260 5.192 10 40 HKCB CC(C)(C)C(=O)COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 8450187 KLHOYWNZSSKZIK-UHFFFAOYSA-N 422.484 5.861 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4)c3C)N21 222694532 UHLHHCVTYCLMRD-OFAXGOBFSA-N 402.567 5.469 10 40 HKCB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 222898223 IZEFOCVARDOVBR-CPJSRVTESA-N 408.586 5.520 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 96006226 QVQLTGLMGZMBNW-HLIPFELVSA-N 413.926 5.359 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1Cc1ccccc1 3164388 GXFXSEXYDCBDSC-UHFFFAOYSA-N 409.578 6.586 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4131798 IXGVBQGFTCJTJG-MSBWEVJISA-N 414.461 5.187 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC(C)C 4657294 BKJAJBZKHIYEJG-RQZCQDPDSA-N 419.308 5.595 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccccc4C)=NC3=O)cc2)cc1 8411642 GECHUUZVQZSCAI-HZHRSRAPSA-N 414.530 5.965 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 17862151 UWRLFEPMDATXAR-AZAZKDLZSA-N 412.902 5.409 10 40 HKCB COc1ccc(-c2nn(-c3ccccc3)cc2/N=N/c2c(O)ccc3ccccc23)cc1 27750678 OEJQQYACTBMIRJ-BYYHNAKLSA-N 420.472 6.822 10 40 HKCB CCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1Cl 33860418 PQOHQLBIHSYWMK-YBEGLDIGSA-N 407.322 5.783 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1C 222617848 UXNGAPJDRYFUTG-VWMXVWASSA-N 416.594 5.695 10 40 HKCB O=C1NC(=S)S/C1=C/c1cc(/N=N/c2ccc(Cl)cc2Cl)ccc1O 408727171 VAMGLYDFOCNIPE-SXKXGMSHSA-N 410.307 5.603 10 40 HKCB COc1ccc(OC)c(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)c1 2246132 BOKHAIWAJFUXFY-OQLLNIDSSA-N 409.294 5.093 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 3769152 SXOQUQXQPMBLJN-HMMYKYKNSA-N 411.596 5.005 10 40 HKCB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/C(=O)N(c2ccccc2)N=C1C 4048111 SYCVVGKPMRQXDX-FONMMBQYSA-N 419.550 5.598 10 40 HKCB COc1ccc(OC)c(C2=C/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)c1 4854482 KOUFYWOQSIEVHH-RGEXLXHISA-N 408.453 5.992 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 6234220 XHXHAWHRTXBHLK-XDHOZWIPSA-N 406.488 5.462 10 40 HKCB CCN(CC)c1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 224361710 IGOKKQVNENIABW-UHFFFAOYSA-N 411.398 5.389 10 40 HKCB CN(CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 225747909 QJNLGIAKDFBMHN-UHFFFAOYSA-N 421.635 5.792 10 40 HKCB Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCC4)OC3=O)c2c1 408764895 AKINTWFRJZXGTD-UHFFFAOYSA-N 401.462 5.205 10 40 HKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 1462140 PWOYDLJOSWPTGW-RGEXLXHISA-N 405.548 5.151 10 40 HKCB COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C(C)(C)C 55087841 YDXIAAYPLSGGBH-LGMDPLHJSA-N 413.315 5.290 10 40 HKCB C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 225360787 OJYNQBOZULMMKY-INIZCTEOSA-N 405.369 5.794 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(C)c2)cc1 408753225 FNZYXOSERYQFIV-NLRVBDNBSA-N 402.497 6.291 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)cc1 408762731 LAANJTMPEIJGSA-CJLVFECKSA-N 402.881 5.573 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccc(O)cc1 408765229 XKRHWGMCQLZSHS-LFVJCYFKSA-N 408.432 5.519 10 40 HKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc21 409115390 JARCXEGOIGFLGJ-STZFKDTASA-N 421.338 5.764 10 40 HKCB CCCN1C(=O)/C(=C\C=C2/Sc3c(ccc4ccccc34)N2CC)SC1=S 4859544 JTFHAWPSZIGVMA-HMQSQOOHSA-N 412.605 5.767 10 40 HKCB COc1ccc(Oc2cc(NC(C)C)c3c4c(onc24)-c2ccccc2C3=O)cc1 5451250 QXCXNMHJAAWTOE-UHFFFAOYSA-N 400.434 5.660 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 6367862 ZKVVLGCTXNJVJH-WCWDXBQESA-N 404.426 5.433 10 40 HKCB Brc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@H]21 7097287 OFURWXPYPOORIS-XLNZFTOWSA-N 402.335 6.943 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1C 35646542 IQVSJQLGDOVCPB-NDENLUEZSA-N 419.462 5.554 10 40 HKCB CCOc1ccc(/N=N\c2ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)cc2)cc1 104389416 KTAYWQSBDYZAKM-SXAUZNKPSA-N 410.455 6.163 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208449723 RXOYFFRLRCSPAC-NDENLUEZSA-N 407.514 5.540 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408758351 YKOJDCPWLURKQO-OYKKKHCWSA-N 412.537 5.529 10 40 HKCB Cc1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1F 408985038 KROIKJBPFLDTJT-LDADJPATSA-N 424.302 6.912 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409344230 IGKHVPAVJIBURK-PDGQHHTCSA-N 419.955 5.543 10 40 HKCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1 2366056 NGRNOPIIKCAHJQ-WQRHYEAKSA-N 421.349 5.956 10 40 HKCB Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 4362944 VZRMBMRSPDATGR-KSRUKNBBSA-N 403.111 7.266 10 40 HKCB CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C[C@H](C)CC)cc1 4679299 QZJHZTVTTONZFV-MRXNPFEDSA-N 413.949 5.966 10 40 HKCB Cc1ccccc1Nc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12 4733823 NVAITLBPCJVURJ-UHFFFAOYSA-N 402.679 6.062 10 40 HKCB C[C@H](Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 6183088 INTNPLASRNNQKM-JMMZKRSASA-N 417.555 6.232 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2[C@H](C)CC1(C)C 208314509 GOSDMVYBRAXRFN-VVRYKASASA-N 419.594 6.190 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(F)cc3)cc2)C1 219262220 PIPJLPMPFMHREN-QZTJIDSGSA-N 400.563 5.173 10 40 HKCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219611207 FVMDZWAMAHMPDL-WZONZLPQSA-N 414.977 5.611 10 40 HKCB C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 225336777 GZDBCOVKAKQWNW-MRXNPFEDSA-N 405.369 5.794 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 409013690 CVSWCKLRVFAKPM-YVLHZVERSA-N 402.277 5.179 10 40 HKCB CCN1C(=O)/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)SC1=S 409369643 DJKIYOOMZDWIFV-HMAPJEAMSA-N 419.571 5.948 10 40 HKCB Cc1cccc(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2298318 CWLFFCXXKSNQSR-QGZVFWFLSA-N 423.516 6.328 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 106701905 POONYYQOBWHBFQ-UCQKPKSFSA-N 416.546 5.947 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)CC1 218666691 WTZJHEOCUZQOFB-LEWJYISDSA-N 422.613 5.865 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3C(C)(C)C)cc2)C1 222800964 ZBNQNXBHEZNQKD-WOJBJXKFSA-N 408.586 5.477 10 40 HKCB S=C(NCCCN1CCCc2ccccc21)Nc1ccc(OC2CCCC2)cc1 225746810 HWBGZOREHFGOID-UHFFFAOYSA-N 409.599 5.137 10 40 HKCB Cc1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1C 408735700 WIJNCSPISOPWBF-UHFFFAOYSA-N 403.551 5.967 10 40 HKCB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409076522 BEFLBHPQVQNPEJ-UYRXBGFRSA-N 423.299 5.837 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1 409165538 ZGACXMVNYWOSNO-VAXXYWNWSA-N 402.881 6.742 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)c1 409339672 KKFFPFNFOHHMSG-UYRXBGFRSA-N 409.557 6.074 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409348825 SRIOMTFNRJGTJS-CYUIRQCWSA-N 403.956 5.923 10 40 HKCB CN1/C(=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccc([N+](=O)[O-])cc21 5173801 MMHMDPDRGIXFBR-UHFFFAOYSA-N 402.518 5.469 10 40 HKCB Cc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 5815697 QQCSVEBSQCQGIR-RCCKNPSSSA-N 412.445 5.081 10 40 HKCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S 12615160 ZKUSORSMIGUWPK-HPUUJOOBSA-N 422.369 5.709 10 40 HKCB Cc1cc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nc2ccccc12 12625030 NJOIUABAGWJVGJ-UHFFFAOYSA-N 404.510 6.065 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 34387961 SDDHBGUOBPWXPC-ANDFITQPSA-N 419.554 5.294 10 40 HKCB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2Cc2ccccc2)cc1 44086326 PRUPQMWSZWMFPX-UHFFFAOYSA-N 420.563 5.094 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(OCC)cc1 103918958 MUNVFZDXNAFLBW-QNGOZBTKSA-N 420.538 5.584 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 408585963 KQYRRUOKTSEBBJ-YBEGLDIGSA-N 402.277 5.179 10 40 HKCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccc(Cl)cc4)OC3=O)o2)cc1 408742536 POWCBNJJXMZXOK-QGOAFFKASA-N 420.848 5.758 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2)N1c1cccc(Br)c1 408756283 RCPFQMXHDTZEFS-DEDYPNTBSA-N 421.269 5.423 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3O)C2=O)cc1 408759707 KCHIYUNDXXBQDH-JXAWBTAJSA-N 403.865 5.526 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4081970 JKZXWJQNMSFOGV-ZJNRKIDTSA-N 400.227 6.719 10 40 HKCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 4739595 FQMGQAGSUUEGGB-HMMYKYKNSA-N 415.876 5.598 10 40 HKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc4c(c3)OCO4)c2C1 33378547 QFBCLXDBMLGGSK-ZDUSSCGKSA-N 424.294 5.401 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 43769626 DVJSXCPNEHBBTO-IIYDPXPESA-N 404.691 5.627 10 40 HKCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 51330433 HKJGCWZUJLPCAB-GAVBXWKISA-N 407.561 6.554 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 103557542 YHBYGIWLNMAIBK-HZHRSRAPSA-N 402.881 5.725 10 40 HKCB c1ccc2[nH]c(/N=N\c3cccc4c(/N=N/c5cc6ccccc6[nH]5)cccc34)cc2c1 104208643 OPYYZEZGTXAJEB-SNQKRLHOSA-N 414.472 8.633 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(Br)cc3)cc2)CC1 217869175 JNPDRKYGHORNOX-MRXNPFEDSA-N 401.348 5.176 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 226694652 XUEBTWSKQGHHBN-VKJFTORMSA-N 418.234 5.026 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc12 409339848 LOYZVFYSXUGGBP-BKUYFWCQSA-N 405.544 5.871 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409348110 RFRDTVSGOPOYRT-PZBNQXIHSA-N 419.571 6.423 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 9189196 XXJGKBMTHIZFGL-JCMHNJIXSA-N 423.603 6.108 10 40 HKCB CCCN(CCC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19793062 UPFBVFFPPRPBFX-UHFFFAOYSA-N 419.443 5.806 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21 33561506 NSPQVZRXLPDSOU-PDGQHHTCSA-N 423.925 5.376 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1 38170220 CTSIZGIRCMHWOH-QNGOZBTKSA-N 421.456 5.650 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408757718 PIELDYKTVXWMHT-XKZIYDEJSA-N 418.928 5.565 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C)ccc2C)cc1 408772709 FHKHZXYOYLVFQT-PXLXIMEGSA-N 410.473 5.991 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1 1465874 BDOKPPFKLGCQTJ-WJDWOHSUSA-N 407.463 5.093 10 40 HKCB Cc1cccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2063824 OBQDDKLQTVEZNQ-UHFFFAOYSA-N 409.489 6.082 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)C1 225669566 SBEJAULOLGUWCS-HZPDHXFCSA-N 421.532 5.989 10 40 HKCB CCN(CCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1 225793202 IQAJMDXHEKLDPU-UHFFFAOYSA-N 415.912 5.480 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 409344226 IGVQVQJCDILHAB-BKUYFWCQSA-N 419.527 5.863 10 40 HKCB CCCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4850405 MKLZSCFGXZKANP-UHFFFAOYSA-N 422.554 5.039 10 40 HKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1Cc1ccco1 9188441 ZYTLVYMBSUJXDW-MOSHPQCFSA-N 407.516 5.260 10 40 HKCB COc1cc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)ccc1N1CCCC1 19240224 BOYKEAGFVCLLEO-LJQANCHMSA-N 413.612 5.195 10 40 HKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 36081017 REXGCXZTIOEQMA-DXBVXKBHSA-N 409.529 6.856 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1C 144228449 NRNRWFUZYLQAHX-HMAPJEAMSA-N 402.519 5.952 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3)cc2)C1 217982095 GOXAHJGUUQGIIR-IAGOWNOFSA-N 402.991 5.546 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222790708 JHOBTVKCGVVUHL-ISKFKSNPSA-N 418.610 5.407 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)[nH]c2ccc(C)cc12 409037088 SIHPIOKWDGJMLL-KPKJPENVSA-N 419.353 5.286 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 409150491 BZTZVRMQBZZXLI-AGKHESDQSA-N 405.679 5.837 10 40 HKCB CCn1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc21 409328386 UDFQDRXPIIPBCG-HYARGMPZSA-N 414.555 6.220 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@@H](C)C2 920919 OQIHROIKWPNHMI-MRXNPFEDSA-N 421.566 5.531 10 40 HKCB Cc1cccc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)n1 4631203 NEXQMABZRZRZOX-OAQYLSRUSA-N 400.438 5.062 10 40 HKCB O=C1C[C@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12 33743717 DCRGAADTEDREEN-ISQIARDLSA-N 421.456 5.061 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O2)cc1 59425981 DOPUENRSJBXZJZ-GDNBJRDFSA-N 423.808 5.498 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccc(F)cc3)=NC1=O)[C@@H](C)CC(C)(C)N2C 208235793 AASUBWHMAYDWCB-RANIVTSPSA-N 423.557 5.939 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 223109150 BQPNIUMGQFJIMH-SFTDATJTSA-N 408.586 5.753 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 225596891 PGSCVRYPLPSIOE-HXHKEWAKSA-N 423.641 5.510 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 408599685 JDTYWSMJMHSSSU-WQRHYEAKSA-N 403.956 5.781 10 40 HKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408756617 IIXXSVCHOCAPRU-UCQKPKSFSA-N 412.537 5.529 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 409001420 PRKCKFVYQMFUPL-LPYMAVHISA-N 404.901 5.008 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 409332314 QROVTLJAXGWHSQ-RCCKNPSSSA-N 403.528 6.193 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 2098084 INKPDLDYDWBQDB-XBTXGSBDSA-N 405.859 5.133 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 6367865 JKROMOOYQVOGDX-WCWDXBQESA-N 404.426 5.433 10 40 HKCB CN(Cc1ccccc1)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 15023316 UUOPODMAPVAGGW-UHFFFAOYSA-N 419.278 5.438 10 40 HKCB O=C(O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408764899 NQZYVTWMFNUADQ-DEDYPNTBSA-N 420.827 5.012 10 40 HKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21 408845073 XYDLCLMUIRTJPR-YZIHRLCOSA-N 411.501 6.099 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc12 409350092 XDLWWJQTHGKONI-ODLFYWEKSA-N 422.487 5.162 10 40 HKCB O=C1c2ccccc2-c2onc3c(NCc4ccco4)cc(Nc4ccccc4)c1c23 2296706 QWPWRCPJGHLWKO-UHFFFAOYSA-N 407.429 5.988 10 40 HKCB CN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2Cl)SC1=S 2882433 FMWHSMLDWUGMCW-AQTBWJFISA-N 419.955 5.019 10 40 HKCB C/C(Nc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17083274 KKDIXHZAFGSBSL-QNGOZBTKSA-N 405.860 5.616 10 40 HKCB C/C(Nc1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17088549 HBYPJXKTSJWSHJ-PGMHBOJBSA-N 410.502 5.433 10 40 HKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 409134269 OMJMVAHFGYQOEM-PDGQHHTCSA-N 408.866 5.000 10 40 HKCB CCn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 409181290 AQKKIMDHFGFTDC-NVMNQCDNSA-N 416.930 5.860 10 40 HKCB CCCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409218368 IKJFGIMNUIODHV-UYRXBGFRSA-N 402.947 5.974 10 40 HKCB COc1ccc(NCc2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1 971165 FZUGWOVVSZDBES-UHFFFAOYSA-N 402.288 5.400 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 4320322 ZXQVEPXPKIJYQR-DAYGRLMNSA-N 405.133 6.038 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 6388005 PFUCPZCADGXZHJ-LTGZKZEYSA-N 411.457 5.255 10 40 HKCB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 13345614 GUAAZYLENWVOAF-QURGRASLSA-N 415.858 5.254 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 35043014 AOZOJDFWRNOBAU-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S 59192229 KBIOOXMKDMLMGU-YVLHZVERSA-N 407.919 5.279 10 40 HKCB Cn1c2ccccc2c2ccc(CC(=O)C/N=N/c3ccc(Cl)cc3Cl)cc21 97940121 KDAZLGFIAXZOHP-OCEACIFDSA-N 410.304 6.534 10 40 HKCB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 216379990 VHNIYVSLGQTZLQ-OAQYLSRUSA-N 402.991 5.517 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1 224163270 QIVSRYWLTMLBIZ-JWQCQUIFSA-N 424.573 5.666 10 40 HKCB Oc1ccccc1CN(C(=S)NCc1ccccc1)c1ccc(F)c(Cl)c1 2622337 PDKZDMVGQQANTE-UHFFFAOYSA-N 400.906 5.266 10 40 HKCB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 13566434 RKJBFRHBUWEPET-UHFFFAOYSA-N 416.462 5.156 10 40 HKCB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 35646050 XFBDHXJSMUIBLV-MOSHPQCFSA-N 424.909 6.081 10 40 HKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 58851306 AXJRHCUUMGSYQE-KSRUKNBBSA-N 419.566 7.780 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 102570439 REMYWQVJWSXDCH-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217982171 GOXAHJGUUQGIIR-SJORKVTESA-N 402.991 5.546 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1 222917257 GOMRKTPBKPDDSO-GOTSBHOMSA-N 404.583 5.118 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 225596923 PGSCVRYPLPSIOE-KLLIMAPHSA-N 423.641 5.510 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1C 408902225 MGEYSBIXUFGCMP-HYARGMPZSA-N 418.587 6.117 10 40 HKCB Cc1cc(N[C@H](c2cccc(Br)c2)c2ccc3cccnc3c2O)no1 1463261 BECYYTNLACTYRC-GOSISDBHSA-N 410.271 5.201 10 40 HKCB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1CCCc1ccccc1 9296295 LHOQNSPNKOCZFB-WJDWOHSUSA-N 424.374 5.533 10 40 HKCB O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1c1cccc(C(F)(F)F)c1 9310263 YEVYKMSXKANBIA-WOJGMQOQSA-N 415.461 6.264 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 222614916 OPNDOGRDEHRUJU-ITEAAPOESA-N 422.985 5.732 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1Cl 260784241 VKKDAGRGHICLNA-UJUVCNOISA-N 422.985 5.732 10 40 HKCB S=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)Nc1ccccc1 710139 VVQUAVUBFPYCLH-UHFFFAOYSA-N 405.914 5.264 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OC 1300828 RHKWRWBLECIVBT-GZTJUZNOSA-N 405.928 5.153 10 40 HKCB CC1CCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 2323883 WVJVLVOLASUHOZ-UHFFFAOYSA-N 409.489 6.019 10 40 HKCB O=C1c2ccccc2-c2ncnc3ccc(Nc4ccc(Oc5ccccc5)cc4)c1c23 3158197 RHIWUCUHUBPYDU-UHFFFAOYSA-N 415.452 6.377 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 58821988 UYMJSWFPHOYAKG-BUVRLJJBSA-N 409.464 5.635 10 40 HKCB CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@@H]21 227486662 DNLGNANDJKVQJH-MBSDFSHPSA-N 406.507 5.403 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 409350810 SIGCHRWAAGCACA-RCCKNPSSSA-N 419.527 5.893 10 40 HKCB CCCCN(CC)CCCCCCCCCCN1CCCc2cc(OC)ccc21 4366809 VFMRXYQTDRTCFR-UHFFFAOYSA-N 402.667 6.691 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 6570421 CXLRSUWLKOEXGJ-MOSHPQCFSA-N 408.910 6.245 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1 408756932 UTMJLHBUSFSREW-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB CCCCCCC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408977663 XCNCMTNVCGJIRC-UHFFFAOYSA-N 407.517 6.998 10 40 HKCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S 1170678 JQBBAZPUHGLLOH-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB Cc1cc(I)cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6194065 HUJYBDLEDPBIRX-CKFHNAJUSA-N 421.709 6.080 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 101114382 IXGVBQGFTCJTJG-VQVUOBIDSA-N 414.461 5.187 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 218736825 FDFBEWIAEWEOJN-IBGZPJMESA-N 414.977 5.613 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 260759231 FJTCZCSKFBCTJE-LEOXJPRUSA-N 420.557 5.608 10 40 HKCB Cc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c(Br)c1 408721071 JWDOMFZUPJQAON-UHFFFAOYSA-N 408.339 6.370 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 408903226 VZOGOMHFTUAFKS-KGENOOAVSA-N 404.560 5.808 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1c(F)cccc1Cl 409061293 CPSZEMCRPUHCRE-RAXLEYEMSA-N 406.240 5.010 10 40 HKCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1 409229259 MGALTMRSYYUYSJ-BUVRLJJBSA-N 413.521 5.058 10 40 HKCB Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12 2396053 JOJRFRAIADIHPT-UHFFFAOYSA-N 408.093 5.078 10 40 HKCB Cc1cc(/C=C2\N=C3CCCCCN3C2=O)c(C)n1-c1ccc(Br)cc1 3186390 ZKZZRKDREJYGPS-UYRXBGFRSA-N 412.331 5.012 10 40 HKCB CCN(CC)Cc1cc(N)cc(/N=N/c2ccc3c(c2)c2ccccc2n3CC)c1O 5390348 BORCZSNPOIESBR-BYYHNAKLSA-N 415.541 6.359 10 40 HKCB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 17093389 ALDMHBQACUPAQZ-UHFFFAOYSA-N 422.937 5.315 10 40 HKCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC)c1C 222792844 DKVIBVLQSVZHKS-LADGPHEKSA-N 418.610 5.352 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc1 409155271 QOKUQLCFMTXAGU-SXGZJXTBSA-N 406.784 7.771 10 40 HKCB CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 6358275 UAENLGHMGOWYHK-BOPFTXTBSA-N 411.577 5.210 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1 7097618 ZGACXMVNYWOSNO-LJFZDNNRSA-N 402.881 6.742 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 33928269 DOTTWLQCXBZYKV-VBKFSLOCSA-N 423.925 5.376 10 40 HKCB CCn1c2ccccc2c2cc(/N=N\c3ccc4c(c3)c3ccccc3n4CC)ccc21 104202355 GGSYFBKGHLGGBL-FLWNBWAVSA-N 416.528 8.358 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 408599028 CQLJWZPJHBYHFL-WQRHYEAKSA-N 414.508 5.035 10 40 HKCB O=C1NC(=S)S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408810451 KOZLMJJDDUSQJW-ODLFYWEKSA-N 411.935 5.561 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408983442 BRWRWVSWDAJCHX-CAPFRKAQSA-N 400.909 5.877 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 409008503 ZKIKSXIEXATTLY-JCMHNJIXSA-N 420.509 5.512 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409167580 JGGXCQPVTJRDFE-CZIZLABSSA-N 418.673 7.492 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 113834341 YBAMMVGIANGOGF-DEDYPNTBSA-N 413.564 5.194 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4C)c3C)N21 260765983 IPUJLXDQHDXNGI-YGOYIFOWSA-N 416.594 5.777 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccccc5C)c4C)C(=O)O3)ccc2c1 408755227 ITMRGJOCILNVKO-QQXSKIMKSA-N 419.524 6.845 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2cccc(C)c2)C1=O 408755363 KVTHXPXGXILFQY-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc12 408971442 OMGSSORXBXRPDD-RGEXLXHISA-N 410.395 5.587 10 40 HKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 409016645 VFARDRMMERDYLP-XKZIYDEJSA-N 420.553 5.040 10 40 HKCB O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(/N=N/c2ccccc2)cc1 4703050 LNNACELZOAWTTO-JICWPOMZSA-N 404.473 6.873 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCCC4)cc3)C2=O)c(C)c1 9245592 IUHNTRJCDMDYCG-PGMHBOJBSA-N 417.509 5.191 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1 208223634 ZPPIBVPFWZLGNK-RIWZNOJBSA-N 420.578 5.954 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 223623939 MDGONIQGKBBSMH-NHCUHLMSSA-N 408.586 5.611 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 408759180 ZERHKVIDEDCRJL-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409231548 JTCBXGGKOSEABH-LICLKQGHSA-N 419.344 5.303 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc1 409334306 WSWOHIRGDJBWMT-MOSHPQCFSA-N 411.548 5.683 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 12469445 VJKHASMPDYRGDV-PEBVRCNWSA-N 412.224 6.434 10 40 HKCB CCn1c2ccccc2c2cc(/N=N/c3ccc4c(c3)c3ccccc3n4CC)ccc21 17887401 GGSYFBKGHLGGBL-QVIHXGFCSA-N 416.528 8.358 10 40 HKCB O=C(c1ccccc1)c1ccc(N=[N+]([O-])c2ccc(C(=O)c3ccccc3)cc2)cc1 104378613 RKUIZADTWWDVDB-UHFFFAOYSA-N 406.441 6.074 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1F 222613502 KAYMOCMSAMCTPE-ARBPTSGCSA-N 406.530 5.218 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222873582 WVVGASUYCOVHCX-YADHBBJMSA-N 408.546 5.011 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)C1 225336870 FPODJUDWZCCQJD-IAGOWNOFSA-N 419.396 6.040 10 40 HKCB Ic1ccc2c3ccccc3c3nc4ccccc4nc3c2c1 4322755 IRYCLPZMWLQIKQ-UHFFFAOYSA-N 406.226 5.694 10 40 HKCB COC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N 4620158 DPMKVPSCLZVALX-UHFFFAOYSA-N 410.461 5.152 10 40 HKCB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 5178960 BWOZSJRDVGVEHS-FWPSJRISSA-N 410.474 5.141 10 40 HKCB Cc1ccc(C(=O)N2N=C(c3ccc4ccccc4c3O)C[C@@H]2c2ccccc2)cc1 5218666 LFPAJJGLCHRMII-RUZDIDTESA-N 406.485 5.845 10 40 HKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(F)cc3)N4)sc2c1 58851114 HTAAQJXKHVGYPQ-RNHFSVANSA-N 412.533 7.237 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 58883966 QDWWFJYEWOIUHD-YBEGLDIGSA-N 421.802 5.236 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103918797 SCJPNQAZIRMRQH-UNOMPAQXSA-N 406.288 6.021 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1O 408986024 OMUZGIIXJGAGDQ-SFQUDFHCSA-N 408.284 6.170 10 40 HKCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)cc1Cl 408996211 GUAWODGUAOUQBB-UYRXBGFRSA-N 420.852 5.193 10 40 HKCB Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 409351106 ZKSYBYMZVODXLK-JCMHNJIXSA-N 423.603 6.108 10 40 HKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cc(F)cc(F)c3)c2C1 2512796 QHYQJALLDLWZSC-GFCCVEGCSA-N 416.265 5.950 10 40 HKCB Oc1c([C@H](Nc2ccccn2)c2ccc(OC3CCCC3)cc2)ccc2cccnc12 5660958 LTZWVBLOCVAVAH-XMMPIXPASA-N 411.505 5.858 10 40 HKCB COc1ccc([C@@H](c2ccc3c(OC)cccc3c2O)N2CCCCC2)c(OC)c1 9420851 DRGFMGYCEHMZON-DEOSSOPVSA-N 407.510 5.147 10 40 HKCB O=C(O)CCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)s2)SC1=S 12985542 JQTZJFKTDCORSF-LFIBNONCSA-N 421.540 5.010 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1ccccc1 59514536 WBYLQUJPROQJAX-RCCKNPSSSA-N 403.528 5.671 10 40 HKCB Cc1cc2c(cc1C)N[C@H](c1cc([N+](=O)[O-])ccc1O)C1=C(O)CC(C)(C)CC1=N2 102452597 HOHHXANFNGYLRF-JOCHJYFZSA-N 407.470 5.789 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208306379 GTDMEDRTSVGIPJ-QAIWHXNASA-N 406.551 6.040 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222783461 QFYUGRIGOVWXKP-PKTZIBPZSA-N 404.583 5.044 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222873525 WVVGASUYCOVHCX-VXKWHMMOSA-N 408.546 5.011 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2F)N1c1cccc(Br)c1 408765772 QEGMQVFPDAAWAN-DEDYPNTBSA-N 421.269 5.423 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2507754 SOZCQTNPJIJGBR-PXNMLYILSA-N 412.363 6.111 10 40 HKCB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc1 4288436 NQQSWYOHDWFLDL-UHFFFAOYSA-N 419.506 5.128 10 40 HKCB O=C1c2ccccc2C(=O)C1(Cc1ccccc1)C(c1ccccc1)c1ccccc1 4741429 KEUXENBEHDDXFX-UHFFFAOYSA-N 402.493 6.127 10 40 HKCB COc1cc(Cl)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O 4785260 WICNLJAPEFWECX-MLCYQJTMSA-N 420.962 5.696 10 40 HKCB CC(C)(C)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 5371437 QXIDUDHWZUSLFU-PDGQHHTCSA-N 417.983 5.919 10 40 HKCB Brc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096790 OFURWXPYPOORIS-YDIMBITNSA-N 402.335 6.943 10 40 HKCB CCCCCCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 9487101 CLDZMBVZRCIHOL-ZHZULCJRSA-N 411.477 5.116 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)cc1 12523158 UOGAZJIBMKFNMK-JWGURIENSA-N 415.924 5.687 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 33343232 UDGAMNDDXYSQRS-KGENOOAVSA-N 414.457 5.264 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409009027 BEPBCFVEHKGNAH-XBTXGSBDSA-N 405.859 5.133 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409328581 XXTHVVSIRQRTRJ-WOJGMQOQSA-N 403.500 5.029 10 40 HKCB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2Cc2ccccc2)c1 44086360 XCDVPEYEHJGGOK-UHFFFAOYSA-N 419.481 5.938 10 40 HKCB COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccc1/N=N\c1ccc(C)cc1 100295884 HLYJVLHHRKQBTE-RQZHXJHFSA-N 408.889 7.025 10 40 HKCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219302360 CCKLCVPFFHQWAQ-YADHBBJMSA-N 408.586 5.493 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 222615117 OPNDOGRDEHRUJU-RXYZOABWSA-N 422.985 5.732 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C)C2=O)cc1 408987291 WACWFKOICNCRKP-LTGZKZEYSA-N 415.920 6.518 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 409332122 PMOLNYWEQIQMAX-OQLLNIDSSA-N 422.394 5.577 10 40 HKCB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3[C@@H](C)CCC[C@@H]3C)c12 1760208 BCKXDTKOBAGXQL-IRXDYDNUSA-N 407.510 5.745 10 40 HKCB biogenic O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1ccc(Oc2ccccc2)cc1 3024684 YLNSVOUMIGVBAO-QNGOZBTKSA-N 418.543 5.750 10 40 HKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)OC1CCCCC1 4839243 JXIWQNOFBUNKNB-MNDPQUGUSA-N 417.596 5.324 10 40 HKCB CC1=NN(c2ccccc2)C(=O)C1=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 5191915 ICWBTGYDDZUCDH-UHFFFAOYSA-N 424.548 5.043 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NCC[C@H]3CCCN4CCCC[C@H]34)c2c1 5519371 RRPCHVOTWQFQCR-MZNJEOGPSA-N 423.988 6.117 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3cccc(Cl)c3)cc2)CC1 218037065 ZBCIUXGXXCUUFA-SFHVURJKSA-N 417.018 5.687 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222871788 YKUKVXSQKCMIGS-XZOQPEGZSA-N 404.583 5.180 10 40 HKCB O=C(Cc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408975250 LETZMCQVYLTOKZ-UHFFFAOYSA-N 413.480 6.271 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OCC)C2=O)cc1 408984682 JDJVXCGCHVEFGX-RELWKKBWSA-N 411.501 5.955 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 409165435 YFKQICZOLVNGRJ-XNJGSVPQSA-N 405.679 5.837 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409238970 XTCADDNDIOHCOS-FYJGNVAPSA-N 419.912 5.462 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 5861827 PTTBTRDSQIXELV-AQTBWJFISA-N 403.956 5.925 10 40 HKCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 6243588 IBUQBCBWTAWLFB-JCMHNJIXSA-N 413.477 5.163 10 40 HKCB Oc1c([C@@H](Nc2ccccc2Br)c2ccccc2)ccc2cccnc12 13207208 ZTTCRWKPIONBEL-FQEVSTJZSA-N 405.295 5.904 10 40 HKCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 101128544 IGZRDZHQRCDCFC-SFQUDFHCSA-N 406.511 5.030 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 144200475 ADXONAKJRNVUNR-NHDPSOOVSA-N 418.474 5.064 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)CC1 218676749 DDKSXAAGKGZHMH-QZTJIDSGSA-N 400.950 5.221 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Br)cc2)cc1 408762951 CRLGLMIMUDKHHU-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB Cc1cc(-n2c(C)cc(C(=S)N3CCCCC3)c2C)cc(C)c1Br 409204946 DONJOSNZKSEVMX-UHFFFAOYSA-N 405.405 5.635 10 40 HKCB Cn1c(-c2ccccc2)cnc1SCC(=O)n1c2c(c3c1CCCC3)CCCC2 643392 LDWJIWXLHWIVKM-UHFFFAOYSA-N 405.567 5.079 10 40 HKCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 2187853 LAPASRLKXWNEDM-NRFANRHFSA-N 422.326 5.286 10 40 HKCB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215981 NISITWDMQGXPRL-UTKZUKDTSA-N 412.898 5.358 10 40 HKCB O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 16050863 PSTZLKOGDIHRHI-RGVLZGJSSA-N 419.311 6.489 10 40 HKCB Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2nc(C(F)F)nc3ccccc23)C1 72275429 YDMKQJYJOHBBCV-HNNXBMFYSA-N 418.875 5.003 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 101654357 ZIHILADLONYDHD-CPNJWEJPSA-N 410.951 6.359 10 40 HKCB O=C1/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC(=S)N1c1ccccc1 113830530 HAHCRDQTCDAFPL-WUXMJOGZSA-N 416.738 5.758 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc21 208446899 IRWOPMRCCDYQAL-BKUYFWCQSA-N 403.551 5.709 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222961777 GCJAGVKSFZRQGM-GOTSBHOMSA-N 404.583 5.262 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)C1 225691029 IKYUKEJHEUFVKL-OAHLLOKOSA-N 407.505 5.428 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(SC)cc1 408791391 WYKUQFHKVATFSI-STZFKDTASA-N 407.535 5.293 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)ccc1O 409098404 QGCSDQCYKBWWCI-UHFFFAOYSA-N 420.690 5.283 10 40 HKCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409138464 CCNCFNRNABAUGY-KGENOOAVSA-N 414.571 5.302 10 40 HKCB CCCCCCc1ccc(Sc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1 5023612 JBWIJSSOIMDJHI-UHFFFAOYSA-N 415.558 6.318 10 40 HKCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-c2ccccc2)cc1 5124359 ZRUUGRHGQSECFJ-UHFFFAOYSA-N 403.437 5.381 10 40 HKCB Cc1oc2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c2c1-c1ccccc1 5921405 BOYQDMJHWVBGCI-GHVJWSGMSA-N 408.435 5.776 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=N)N12 103604820 BQBRQZGQYPOBFE-UOYIJQEASA-N 410.930 5.223 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1 217836532 FLFPIMIKAQFLJH-HZPDHXFCSA-N 421.368 5.486 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 222719000 SLZCTUGUTCGWQA-JJEOQYAHSA-N 418.566 5.169 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c2C)cc1 408973567 YYAIKGYTJMAIER-STZFKDTASA-N 423.438 5.751 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 409335160 ZBGJCKLOAVULIU-UNOMPAQXSA-N 422.487 5.162 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 409342717 CIPSGEYLYKGFJB-HYARGMPZSA-N 419.571 6.261 10 40 HKCB CC(/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O)=C\c1ccccc1 409351993 VKAJOPNKCNDDSB-YZXVBUGESA-N 406.359 6.346 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 646149 SSWHUEHHYRFWSO-JLHGSKIFSA-N 415.364 6.302 10 40 HKCB CC(C)(c1ccccc1)c1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1 1670263 YXOUVYWIPMJZHD-UHFFFAOYSA-N 406.614 5.690 10 40 HKCB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)c(C)c1 3672726 VGFTUAWFFDLLAB-SANMLTNESA-N 412.537 5.297 10 40 HKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(C)c(Cl)c1 4627773 BNSQTLABNUXPBW-MHWRWJLKSA-N 404.695 5.129 10 40 HKCB CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Br)cc2)cc1 16186470 QROLSNONOIKISV-HSZRJFAPSA-N 420.354 5.871 10 40 HKCB Cc1cc(NS(=O)(=O)c2ccccc2)cc(-n2c(C)c(C)c3ccccc32)c1O 16779660 IYVICFDEYUYBSV-UHFFFAOYSA-N 406.507 5.062 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Br)cc2)cc1 408840240 CSLHROKQDRUTGE-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C 409346741 NVJNXSGRGKOCGW-MOSHPQCFSA-N 413.564 5.526 10 40 HKCB CC(C)OC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 4335391 KSDZNDBGYHPYMF-UHFFFAOYSA-N 412.898 6.024 10 40 HKCB Cc1ccc2nc(-c3ccc(Br)o3)c(Nc3ccc(Cl)cc3)n2c1 4733521 LZIXEOCUCDARHC-UHFFFAOYSA-N 402.679 6.062 10 40 HKCB COc1ccc(C2=C/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)cc1OC 4852788 AVGGPOZIIHWXKV-XSFVSMFZSA-N 408.453 5.992 10 40 HKCB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)c1 6189916 FSDWNTXNJJYWJQ-UHFFFAOYSA-N 415.445 5.410 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccccc1 13897459 MFFVSODWZUJWCP-WOJGMQOQSA-N 415.898 6.145 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 222695133 SPRDVBHKQUYMIL-CTUHWIOQSA-N 416.594 5.777 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ncccc4C)c3C)N21 222703641 WEOKKAXNFPVBRL-STZQEDGTSA-N 417.582 5.172 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260752956 AKWSWGCQEMHNIM-GAZXMLTASA-N 416.594 5.641 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4F)c3C)N21 260786391 WUPQPYKOTKGCSF-VSDWSMLSSA-N 420.557 5.608 10 40 HKCB COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 12628173 FTQLDMVTJMBLFI-VFVRVIDISA-N 422.269 5.571 10 40 HKCB COc1ccc(OC)c(NC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 20816151 BMHHGUGTIKAOSU-UHFFFAOYSA-N 414.889 5.026 10 40 HKCB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1C1=CC=CCC1=S 71404977 AFTYSFKSMTULJV-UHFFFAOYSA-N 415.297 6.186 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)CC1 219298755 LPBOUJLOGQFPLA-NHCUHLMSSA-N 408.586 5.691 10 40 HKCB CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670857 VRQJTSPVLIRMHU-RTBURBONSA-N 411.615 5.758 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 409155210 PZLDAQINPUZQOK-YPCDYVTLSA-N 401.550 7.253 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 4657345 PJBSXDWCBZLVSE-UNOMPAQXSA-N 411.288 6.368 10 40 HKCB CC(C)(C)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 5371430 WAGZGCJPYPFZDW-PDGQHHTCSA-N 417.983 5.919 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl 6970413 XVXMSPRQKZDLJI-ODLFYWEKSA-N 416.905 5.316 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1 15012853 MOZUHRURYYUFFI-CAPFRKAQSA-N 407.941 6.338 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 27345307 AFLVJSJCGOFTTI-SCBVSMRHSA-N 407.642 6.540 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)cc1 208196657 VLPARBUVWGRDHX-LRSOKBAUSA-N 419.594 6.053 10 40 HKCB C[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(N2CCC[C@@H](C)C2)cc1 218498948 JQYKLVYBSCLDQJ-MOPGFXCFSA-N 412.533 6.313 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1 408751673 BIPGHTOMJHYMCF-HZHRSRAPSA-N 412.489 5.155 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409056518 GXURWYOWDGDYNL-PDGQHHTCSA-N 420.336 5.557 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 409175795 VAEWKPNFAOVJIQ-UWVAXJGDSA-N 400.335 6.712 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 409349409 PSKLTYMHPHZWHV-BKUYFWCQSA-N 419.527 5.551 10 40 HKCB CCn1c2ccccc2c2cc(/N=N/c3cc(CN(C)C)c(O)c4ncccc34)ccc21 5464857 WXNHXZXYKKIGFS-ZQHSETAFSA-N 423.520 6.545 10 40 HKCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 107842135 LAWSUPXISCHDTD-AUWJEWJLSA-N 414.310 5.200 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)C1 218104710 UJBWKWIISDTQDC-XALKSJJDSA-N 414.549 5.934 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219324387 NROMPWHSEKXIBT-PNCHPQGNSA-N 414.977 5.611 10 40 HKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408639553 FYBGTESCSHAHNX-FQEVSTJZSA-N 422.484 5.624 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@@H]32)c1 408782006 GFRRTORMIUFRAF-KEYYUXOJSA-N 418.234 5.026 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3O[C@@H](C)CC)SC2=S)cc1 409330916 MOWMAGDAZMAQHM-AUQXIXNCSA-N 413.564 5.668 10 40 HKCB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4513307 DQXWFOCJQYKYMF-ZWBFNDLWSA-N 406.957 6.181 10 40 HKCB CCSc1c(C(=O)Nc2ccccc2Cl)ccc2c1C(=O)c1ccccc1C2=O 8867518 RFMWSKSUVNTBRX-UHFFFAOYSA-N 421.905 5.480 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1Nc1nc2ccccc2s1 98002361 LIJSKYYDQWFNEZ-NTEUORMPSA-N 403.941 5.178 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 408760787 FYSPORJIPRPGSD-KGENOOAVSA-N 423.299 5.837 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 409000029 DMUHHOOSZFIRRS-KQEYZTLISA-N 414.465 5.704 10 40 HKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409346908 OQVSRFZWDKYZDQ-RQZCQDPDSA-N 424.374 6.186 10 40 HKCB CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCCC3)c12 5182491 VHJCUQXSUFRJAJ-UHFFFAOYSA-N 406.526 5.420 10 40 HKCB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(/N=N/c2ccccc2)cc1 6346072 NYMLVMIXGDXTBD-OCOZRVBESA-N 401.491 6.638 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 13801333 JVONPAIHJBUCCZ-ATVHPVEESA-N 406.825 5.104 10 40 HKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCC[C@@H](C)C3)c(O)c(Cl)cc12 20328637 IMSTWSGOWCZXAJ-OAHLLOKOSA-N 411.929 5.283 10 40 HKCB CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Cl)c1O 107976930 LNKIOWGHANEEBS-DHDCSXOGSA-N 409.294 5.180 10 40 HKCB O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1 409332403 RGBXUWTZBLBNCV-AUWJEWJLSA-N 411.291 5.307 10 40 HKCB Cc1cccc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 946891 HUHLXTYKRKEJDP-FQEVSTJZSA-N 409.411 5.864 10 40 HKCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)c1 2391913 KEKJATMYQQMPIE-UDWIEESQSA-N 401.466 5.346 10 40 HKCB CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 33697120 ILNMCFQRUVBVFC-YBEGLDIGSA-N 418.280 5.734 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1 100147800 ASLXMDFMCUGYIZ-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1 222724282 PURDTZKPNDPGSY-UHFFFAOYSA-N 423.409 5.533 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 260772532 YYVXBWPFFADGDA-VQTJNVASSA-N 406.570 5.058 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)c1 409350654 YQYSYPXYFLTCSD-CPNJWEJPSA-N 412.605 5.415 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1 15229509 ACOYDVICKLLXEB-PJOFKPAXSA-N 416.352 7.249 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccccc3F)cc2)CC1 222711195 WMWOTKZYKXAVEL-SFHVURJKSA-N 400.563 5.173 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 260781290 SPRDVBHKQUYMIL-YGOYIFOWSA-N 416.594 5.777 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408984186 FLYQJJQZLCSIOQ-RCCKNPSSSA-N 415.920 6.518 10 40 HKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 409344374 JFDOSFNHMCPBOR-QPEQYQDCSA-N 411.291 5.307 10 40 HKCB Cc1cccc(Nc2cc(N3CCCC[C@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)c1 2333463 OKQIEGLLSFYPCN-QGZVFWFLSA-N 423.516 6.470 10 40 HKCB Cc1cc(-c2csc(NC(=O)CCc3ccccc3)n2)c(C)n1-c1ccc(F)cc1 3383516 XLYFRMJVHBSMND-UHFFFAOYSA-N 419.525 5.928 10 40 HKCB CC(=O)Oc1c(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc2c2ccccc12 4543709 GPGVWRVSRRSNNX-UHFFFAOYSA-N 406.485 6.652 10 40 HKCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)SC1=S 8383700 JJQINDHIGSHZTD-GZTJUZNOSA-N 416.549 5.276 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1c(Cl)cc(Cl)cc1Cl 12412811 GDZNKMNCESFCNF-JYRVWZFOSA-N 415.107 6.019 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12 103918482 XWXBJCKRBDBMKI-KQWNVCNZSA-N 420.944 5.430 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(I)cccc3[C@@H]3C=CC[C@H]32)c1 408782002 GFRRTORMIUFRAF-CPUCHLNUSA-N 418.234 5.026 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 409016978 CGHMCWRIPHCNRJ-WQRHYEAKSA-N 413.926 5.248 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 7096093 QETBCIRRLMCIDF-HWBMXIPRSA-N 414.530 6.714 10 40 HKCB O=C(CCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1cccs1 8719832 KEPNVNDQCGHWDW-SFHVURJKSA-N 412.580 5.546 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260613108 CSRXDSCKKDAVTL-YTQUADARSA-N 414.977 5.529 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3C)N21 260774867 NXHBIACKYJWGAM-YSZBQJHXSA-N 406.599 5.278 10 40 HKCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409104749 HVERAZCAFSOJRK-LZYBPNLTSA-N 423.307 5.052 10 40 HKCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1Br 409204372 GDCMECYNPMMKCT-XMHGGMMESA-N 419.322 5.734 10 40 HKCB CCOC(=O)c1ccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)cc1 5009299 NYGYLOJPQOIXMZ-NRFANRHFSA-N 404.491 5.380 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccccc1 9095683 DHZZTGGCNLIZDM-ZHZULCJRSA-N 421.269 5.423 10 40 HKCB CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 15016300 YQLIOAJWLJSBJJ-QPPBQGQZSA-N 403.551 5.837 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408770433 XNDCMOZEHGLCLN-VBKFSLOCSA-N 402.277 5.261 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 409166868 GWTUXWUFKLTHHX-PEBVRCNWSA-N 413.117 6.722 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1C(=O)O 8828401 AYQVDYYCLPQXDW-NVNXTCNLSA-N 424.330 5.406 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 9805690 DEADXKUXPPWZRI-GLJUWKHASA-N 418.718 5.716 10 40 HKCB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218933846 AQWJNGSCWKEUNR-UXHICEINSA-N 408.586 5.477 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccccc1 408763605 PWQRWVJBMFBPIT-XSFVSMFZSA-N 403.825 5.083 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccccc2F)c2ccccc12 408902114 KGOIXLPVNYCTJJ-XQNSMLJCSA-N 423.491 5.943 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C(C)C)C2=O)cc1 408986602 RBYLULHWRPMGAY-PTGBLXJZSA-N 409.529 6.680 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(F)F 409364406 XTPIRFIJJQXZBT-GZTJUZNOSA-N 421.490 5.401 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 653932 SGKCGBYXHQKVBI-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB O=C(/C=C/c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 4672236 MAVAPSCAANIDKJ-NCSHYYEOSA-N 402.881 5.437 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1[N+](=O)[O-] 4739593 ZGQHSLSRFVUHQG-CPNJWEJPSA-N 416.864 6.028 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 6963479 QLXNZCCFGOZVSM-JCYRPKCISA-N 418.005 7.767 10 40 HKCB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C 225667002 JTHCJYNTYUKOBX-FQEVSTJZSA-N 408.586 5.854 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccccc1 408841887 ILRZEMDYRQNTCS-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CCN(CC)C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 6416152 NDUIQCLUTILRRZ-UHFFFAOYSA-N 411.530 6.095 10 40 HKCB C[C@@H]1N(C)c2ccc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C 12524069 HKHFYQJRLZEXCN-SIBVEZHUSA-N 408.545 6.019 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC2CCCCCC2)cc1 17082723 PUYDVNRODDEJET-NKFKGCMQSA-N 403.526 5.033 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222873966 CYYWOKDUYHPIMB-FGZHOGPDSA-N 408.546 5.011 10 40 HKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260565338 IBQLXVGPZCCWLH-QWQBBLJPSA-N 417.553 5.280 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Cl)c1Cl 408770084 SNCIWADPHCKFEC-RAXLEYEMSA-N 406.240 5.010 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409346810 LKNVWLGDONGGPY-AABCQZNVSA-N 419.571 6.423 10 40 HKCB CCOc1ccc(/C=C2/SC(Nc3cccc4ccccc34)=NC2=O)cc1OC 6870526 HQRHFGDCXMWCBM-KGENOOAVSA-N 404.491 5.330 10 40 HKCB CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 226793810 WZXLIOXLIPNFBD-DBXWQHBBSA-N 411.343 5.415 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(Cl)c1 260766333 JRLMYGAEZKJJQI-UJUVCNOISA-N 422.985 5.732 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(O)c1 408727810 XVYMUZFADGXVLN-VCHYOVAHSA-N 418.971 5.298 10 40 HKCB O=C(O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 3644773 OYQYAHPUBRQEQE-FBLLAGFSSA-N 413.542 6.504 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC 3768979 VWBBHIJMRFHHAD-RQZCQDPDSA-N 423.918 5.292 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 4550710 HZJCQTNFEBYEGX-AZAZKDLZSA-N 412.902 5.409 10 40 HKCB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c(O)c1 4554621 LYBJCJRQHNNRHG-ZUOKHONESA-N 414.571 5.822 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2F)SC1=S 6884326 XSVXWLCZBTUAPL-OBGWFSINSA-N 423.575 5.622 10 40 HKCB CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3Cl)o2)SC1=S 9310693 LNACKTJGYRTQPY-NTUHNPAUSA-N 414.733 5.194 10 40 HKCB COc1cc2c(cc1NCC(=O)Nc1cc(Cl)ccc1OC)oc1ccccc12 11619264 MUWZLVLTWDQVTG-UHFFFAOYSA-N 410.857 5.307 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 13773529 LLAKCYHWWYXNRR-QNGOZBTKSA-N 402.881 5.725 10 40 HKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1c2ccccc2nc2ccccc12 100931092 RNJLDHSGNKNFFV-QNGOZBTKSA-N 406.489 5.723 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(Cl)c3)N21 222720361 VLQXOWIYSFQNQQ-ZLGUVYLKSA-N 412.990 5.315 10 40 HKCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 5373004 FDUXQBMDFKHHKD-PXNMLYILSA-N 406.294 5.034 10 40 HKCB Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 9035533 CZSSBUYCKMDHGH-SIKLNZKXSA-N 421.294 5.397 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12 58821998 USGXCFTVGVEHDD-NLRVBDNBSA-N 418.496 6.225 10 40 HKCB Cc1cc(/C=C2\NC(=O)N=C2O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 96585814 ZNSCSFQYSIOXEP-MTJSOVHGSA-N 421.884 5.347 10 40 HKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 97965334 QQRLPINOIZKSRR-KYCHXARBSA-N 407.424 5.398 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 217952948 ZPDPRALEJKCQHH-OMKLEDIQSA-N 404.598 6.111 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(F)cc1 222828963 QVXRUQXODLSRAN-YADHBBJMSA-N 408.546 5.009 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222952056 NKBTXIPXNDDOCO-GOTSBHOMSA-N 420.626 5.486 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222963959 WLEMCBRRGXANDF-GOTSBHOMSA-N 422.573 5.401 10 40 HKCB Cc1ccc(/N=N/c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c(C)c1 390822355 KRVPDQWVGALASH-XOXGWFOHSA-N 408.505 8.610 10 40 HKCB CN(C)C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1 1339987 SMOGPAKWQJODJE-UHFFFAOYSA-N 403.979 5.274 10 40 HKCB COc1cccc(N(Cc2ncc(-c3ccc(F)cc3)o2)Cc2ccccc2O)c1 12545185 MPGGZRCQCGKTLI-UHFFFAOYSA-N 404.441 5.402 10 40 HKCB Oc1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)cc(Cl)c2cccnc12 21486947 KZDXXHCDYIZAMN-IBGZPJMESA-N 406.835 5.798 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 103917152 JTDIYSJVAGIQQM-YVLHZVERSA-N 417.321 5.712 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)C1 219292034 HNRMKWZGYWHOHV-KZNAEPCWSA-N 400.950 5.221 10 40 HKCB O=[N+]([O-])c1ccc([C@@H](O)C[n+]2c(-c3ccccc3)csc2Nc2ccccc2)cc1 26570084 LIEFKALAPHUTRD-QFIPXVFZSA-O 418.498 5.088 10 40 HKCB COC(=O)c1ccc(COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2)cc1 70453903 VILBBJSGZNCTNH-UHFFFAOYSA-N 410.473 5.742 10 40 HKCB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260836954 BUVYZHDFVFTAOP-NJYVYQBISA-N 420.597 5.446 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(Br)c2)cc1 408760906 AVVDQHVQNDPGPH-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccccc1 408839824 AQBSKEDRLXOPHN-HMMYKYKNSA-N 403.279 5.284 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 409166085 CJINKZMNJHBIAR-QINHECLXSA-N 405.891 7.483 10 40 HKCB Cc1cc(C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)cc1 4105378 XDRHZKUTPSUMCQ-UHFFFAOYSA-N 420.818 5.588 10 40 HKCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc(Cl)c1O 5872029 HIBZEGCJMGDZSN-CHHVJCJISA-N 405.281 5.212 10 40 HKCB CN(CCc1cc[n+](C)cc1)c1ccc(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])cc1 17994145 IZFKOVYOKHMXIS-WCWDXBQESA-N 410.885 5.167 10 40 HKCB Cc1ccccc1N1C[C@](O)(c2ccc(C3CCCCC3)cc2)[N+]2=C1SCCC2 27525024 YRGQECUUQQNXPN-VWLOTQADSA-N 407.603 5.213 10 40 HKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(F)cc1 38206515 AHRPISANOLAELU-HMAPJEAMSA-N 415.514 6.538 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 224435981 QFRRFSAMVDGYAT-UHFFFAOYSA-N 404.579 5.755 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1 3999864 HHDZJKDZTMYHPS-AKSHPUQNSA-N 418.625 5.914 10 40 HKCB biogenic CC(C)Cc1ccc([C@H](C)C(=O)Oc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4659159 PQFOFXYEKLQDDR-KRWDZBQOSA-N 412.485 5.370 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 6297614 BDNLEIWCPBBREO-IQUTYRLHSA-N 424.260 6.303 10 40 HKCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 8821152 HIYPHVQRTIHUAV-WQRHYEAKSA-N 420.365 5.922 10 40 HKCB CCCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 21729041 MMZPFGHCJRHRIF-JOCHJYFZSA-N 413.477 5.104 10 40 HKCB CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 33583128 PAGZAPGKAYPHQY-XDHOZWIPSA-N 417.515 5.117 10 40 HKCB C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCC2)cc1 225694035 JPQSKMNGUWYABV-CQSZACIVSA-N 404.377 5.097 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1 408984321 GSLGWDACHLOMFQ-XMHGGMMESA-N 419.883 6.349 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1 408984983 JWZHOQUXRFJTSA-CAPFRKAQSA-N 401.893 6.210 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 408987785 YCVLXBDZAIHALG-FCDQGJHFSA-N 423.556 6.854 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409346818 LKNVWLGDONGGPY-GRVPHDJPSA-N 419.571 6.423 10 40 HKCB Cc1ccc(-c2c(Br)sc(Nc3ccccc3)[n+]2-c2ccccc2)cc1 2677170 UXDZCUQVXHLWLV-UHFFFAOYSA-O 422.371 6.506 10 40 HKCB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3350817 OWUNMVDZZSHCCH-QGZVFWFLSA-N 404.510 5.403 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 6709757 OMUBTSCYXMMXRV-SDWZUDADSA-N 419.554 5.212 10 40 HKCB O=C(O/C(=C(/N=N\c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 104279773 CRYAIAGXVMJABY-VKIGSRSWSA-N 404.469 7.153 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112287209 MGDSAFOSOZYGDN-BWAHOGKJSA-N 413.496 6.382 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 113832439 NPZYZVQOZMNDSZ-WOJGMQOQSA-N 421.946 5.669 10 40 HKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 218978161 BJQREUOJFOATAW-UHFFFAOYSA-N 400.522 5.186 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409341353 BFLWNYYKDIQUKP-KZKLBEMASA-N 417.527 5.417 10 40 HKCB Cc1cccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 946892 HUHLXTYKRKEJDP-HXUWFJFHSA-N 409.411 5.864 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 17373697 BEEVPGDVKXPIBI-RZKYTRJLSA-N 406.359 6.346 10 40 HKCB O=C1N=C(Nc2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccc(F)c1 33586767 GOIDGHIFWCBUAJ-VGOFMYFVSA-N 400.784 5.580 10 40 HKCB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(Cl)cc1 408632927 HQVUDCHNLCSRAE-NDENLUEZSA-N 423.925 5.842 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)cc3)SC2=S)cc1 409327737 MDUFLSUYUBLIAM-KWPCUBQOSA-N 413.564 5.668 10 40 HKCB CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 4070706 ZMXNLVGRNPHSBL-SSZFMOIBSA-N 411.976 5.055 10 40 HKCB O=C1/C(=C\c2cc(Cc3ccccc3)ccc2O)SC(=S)N1Cc1ccccc1 5194098 MFWVQFFHEKEQSO-PXLXIMEGSA-N 417.555 5.384 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 59435725 RZZBMOKJHDDZQA-DHDCSXOGSA-N 422.695 5.524 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccccc1Br 89814079 MNLSJKUCULYCTK-NTEUORMPSA-N 410.745 5.508 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222962416 YPXNHYAZQIUJMC-RPWUZVMVSA-N 418.610 5.570 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)cc1 408818998 WEISXMOADKEEOH-UHFFFAOYSA-N 406.506 5.305 10 40 HKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2cccc3ccccc23)cc1 4501869 XHRDDWGIIDCYKN-UHFFFAOYSA-N 414.457 5.173 10 40 HKCB CN(C)c1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccc3ccccc3n2)cc1 5600595 VXGCXPGJKMBJHV-AREMUKBSSA-N 420.516 5.223 10 40 HKCB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C 36391697 DIYUEPKQPYBTOB-UHFFFAOYSA-N 417.553 5.203 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 100148165 DELFQMFYMHQQHD-RGVLZGJSSA-N 418.836 5.077 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc4c(c3)C(C)=CC(C)(C)N4C)N21 260769356 LQUHWVRNEQFTQW-YSZBQJHXSA-N 418.610 5.693 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1C 409144949 QQAFEYGVMKYMRG-OEAKJJBVSA-N 422.594 6.328 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409346886 OPWQDWYMOPTAFK-YBEGLDIGSA-N 420.899 5.053 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 5520186 LCKYGXDDHHRMJR-DEDYPNTBSA-N 408.910 6.245 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 13590545 HUJYBDLEDPBIRX-TYILLQQXSA-N 421.709 6.080 10 40 HKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1-c1ccccc1 223404799 SFWBVTRTGDANCK-LOSJGSFVSA-N 424.573 5.353 10 40 HKCB CCN(CC)c1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 225336750 VPTPKQXUYHFMJI-HKOYGPOVSA-N 418.968 6.043 10 40 HKCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(C)C 409326329 AIJVEWVUDQSVHC-XDHOZWIPSA-N 405.585 5.264 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1C 8738839 ILUJHEGUJATCLW-UNOMPAQXSA-N 404.397 5.209 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219393209 NILLFVFGUANCPZ-IBGZPJMESA-N 402.538 5.576 10 40 HKCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1O 408985016 KIUFUUOOGMIANP-SFQUDFHCSA-N 417.848 5.215 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(Cl)cc1 409016287 GLPSLHFGWZJTSY-YVLHZVERSA-N 421.802 5.236 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409333779 VVQCPAYYFQHKFI-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 4081956 SRKNHXLBHAHSOC-HDMKZQKVSA-N 410.233 6.174 10 40 HKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2ccc([N+](=O)[O-])cc2)c1O 17303185 VZEZEKXEFKSTBJ-OCEACIFDSA-N 412.405 6.121 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)c2ccccc21 33332578 AIBUPZKYGNNCRX-MOSHPQCFSA-N 401.466 5.175 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112126441 OMMLECTZGGCBJI-UNOMPAQXSA-N 406.288 6.021 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 408757282 XWYKJASYXKTHCN-PXLXIMEGSA-N 418.880 5.279 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(C(=O)OC)=C2C)cc1 408892199 HDUBUMWEGXWOTA-JCMHNJIXSA-N 405.494 5.086 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(F)F 409347940 PDCOBPALPRLIHI-MHWRWJLKSA-N 407.463 5.011 10 40 HKCB Brc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1 6969926 PYYFMPCABSJYKK-ZQIUZPCESA-N 405.133 6.038 10 40 HKCB CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 12628659 GHNPDLGDBGAURB-MOSHPQCFSA-N 423.534 6.362 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 35041343 LSTCCPWYXVOPOZ-CJLVFECKSA-N 403.572 6.588 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112291352 UAKYZFNQZBRVDR-MOSHPQCFSA-N 418.324 5.891 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 6926139 QVQLTGLMGZMBNW-UWVAXJGDSA-N 413.926 5.359 10 40 HKCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Cl)c(Cl)c1 6961509 NYHXJEFRFLNSKM-FQEVSTJZSA-N 402.350 6.098 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 83318693 DWEZFDXHORNCGQ-MOSHPQCFSA-N 409.913 5.515 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3cccc(Br)c3)cc2)C1 260801635 JIVLOFGRMLRNIV-IRXDYDNUSA-N 415.375 5.105 10 40 HKCB CN(C)c1ccc(/C=C2/SC(=O)N(c3ccccc3Br)C2=S)cc1 1799975 RJHBKOOUHOBOOM-LFIBNONCSA-N 419.369 5.557 10 40 HKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 6044082 QOEIODXPCHCUMV-DXBVXKBHSA-N 415.964 7.362 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(F)cc3)c12 27906268 QHFQZHRQXLNXHL-NDENLUEZSA-N 424.566 5.612 10 40 HKCB Cc1ccc2ccc([C@@H](Nc3ccc(Br)cn3)c3cccnc3)c(O)c2n1 46085521 YXLHYFWDXKKLRS-IBGZPJMESA-N 421.298 5.003 10 40 HKCB CCN1/C(=C2/SC(=S)N(c3cccc(C)c3)C2=O)Sc2ccc(Cl)cc21 100200280 ASSOSSVKWSVLGM-VLGSPTGOSA-N 418.996 5.814 10 40 HKCB FC(F)(F)c1cccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccccc2)c1 100407597 FYDUKYJDDCLORQ-FLWNBWAVSA-N 404.395 7.245 10 40 HKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1CNc1cccc(F)c1 16399171 ZTGQCKOGJKPMNX-OVCLIPMQSA-N 413.326 5.403 10 40 HKCB CCCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 108076172 RFAHUMMSRICPDM-BOPFTXTBSA-N 407.322 5.865 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222964288 ZSTMKSZYOATOFM-PKTZIBPZSA-N 422.573 5.401 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 1416635 JWWAMWPDYFLYHI-LICLKQGHSA-N 405.928 5.153 10 40 HKCB CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(F)c(Cl)c2)cc1 3672475 ZKUZYWWLHJNXLY-UHFFFAOYSA-N 417.937 5.537 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 4975153 VSSFMNHIUGMXMU-KSMMKXTCSA-N 406.309 5.846 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(C)ccc3C)C2=O)cc1 408754852 SHOFUOYYCRSUJY-QNGOZBTKSA-N 415.920 6.437 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1c(O)ccc2ccccc12 409062042 MICPKXHATMJBNV-AQTBWJFISA-N 419.864 5.076 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cl)cc1Cl 657291 YLKQGRIBGHJRND-ZROIWOOFSA-N 406.240 5.010 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1 2188968 LJFHEPPSISXOHF-HZHRSRAPSA-N 406.441 5.808 10 40 HKCB c1ccc(-c2nc(/N=N/c3ccc(C4CCCCC4)cc3)[nH]c2-c2ccccc2)cc1 4786058 GRHYQZKCHWHNSQ-NVQSTNCTSA-N 406.533 8.207 10 40 HKCB CCc1ccccc1NC(=O)CN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 8763465 PQWRXHZYAODHML-FNBOUAQFSA-N 422.575 5.035 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 9282583 OGUDQEBKDAPSHE-KKVJOTPGSA-N 423.517 5.043 10 40 HKCB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccccc3O)no2)cc1OC 12185648 NRUOHKKVUUNMGI-FQEVSTJZSA-N 408.498 5.182 10 40 HKCB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(F)cc1 17082603 MJMMWWBBLGSKTP-UHFFFAOYSA-N 403.287 5.057 10 40 HKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 59961080 MVIHFJPKVULNCX-YZUZCNPQSA-N 420.509 5.453 10 40 HKCB CCOc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 100510995 NHHQWOWWTINJGT-NZXNHFJFSA-N 419.510 5.392 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)c(C)c1 208194104 WBQWVSAENSMIKC-RIWZNOJBSA-N 419.594 6.108 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1 222917210 GOMRKTPBKPDDSO-XZOQPEGZSA-N 404.583 5.118 10 40 HKCB O=C(Oc1cccc(N=Nc2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 245239076 FCTSSWFCZGVIME-UHFFFAOYSA-N 422.440 6.540 10 40 HKCB CCOc1c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cccc1OC 409335686 YMWGXMCCEKYHPO-YBEGLDIGSA-N 405.928 5.153 10 40 HKCB CCCCN(C[C@@H](O)c1cc2c(c3ccccc13)CCCC2)c1ccc(OC)cc1 5837943 ZLSRXRFZFXMABN-HHHXNRCGSA-N 403.566 6.067 10 40 HKCB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 13715076 WMAXHDXKYUWHDG-PDGQHHTCSA-N 423.588 5.140 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1 58856260 MNRUQGJGPOKZSU-UHFFFAOYSA-N 412.869 5.063 10 40 HKCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222616849 CYZDHNOBEKYHNU-GMWOSMDTSA-N 418.566 5.087 10 40 HKCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 8738126 QQIRZVDXWROZPZ-NOEYKIMYSA-N 414.461 5.967 10 40 HKCB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215972 TVDGONDTPAVSRV-IERDGZPVSA-N 412.898 5.358 10 40 HKCB Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 59186130 KUZZJIPHZHOKAR-GRSHGNNSSA-N 416.830 6.259 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCC 60510593 CUQGXBUCWTXKOO-PDGQHHTCSA-N 403.500 5.029 10 40 HKCB CCN(CC)Cc1cc(/N=N\c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2c1O 104201543 IFMGYFMIGCMIIE-VHXPQNKSSA-N 408.458 5.719 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 222697052 HTXFWUGBBGBVHO-SXSPYAJSSA-N 420.557 5.608 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3C(C)(C)C)cc2)C1 260625091 ZBNQNXBHEZNQKD-VQTJNVASSA-N 408.586 5.477 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccccc1 408754538 REJHMKTWRLUGJL-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409229301 MWNHJKYWESJGAU-XDHOZWIPSA-N 418.946 5.129 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)S2)cc1 5794749 FRFUEKVYYSANGX-XSFVSMFZSA-N 407.926 5.776 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188546 ABTCBTWNPGXSHC-AUWJEWJLSA-N 400.739 6.053 10 40 HKCB CCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 408600554 DEOHVHMFSWGZRO-LDADJPATSA-N 401.578 5.603 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 408741888 LUXPYKNVJWOJPM-KGENOOAVSA-N 413.429 5.464 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)c1 408753971 LIPULPOWRGJAFL-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Cl)cc1OC 408903326 XGUOFFBTDXOKBS-LICLKQGHSA-N 405.928 5.153 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1F 409342615 DTCGUSLLFXZZQR-ZHZULCJRSA-N 407.491 6.024 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 4158439 ADLROLKERNBSLQ-VLGSPTGOSA-N 405.585 5.483 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)SC1=S 4675883 SWKWYIHSXIUAFQ-JCMHNJIXSA-N 424.635 6.363 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)c(C)c1 9188611 VOOGFRFTJSDWES-JCMHNJIXSA-N 401.556 6.376 10 40 HKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 10113079 SUCOIFBORQNZTG-UHFFFAOYSA-N 416.590 5.899 10 40 HKCB CCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17083004 NRAUJIPPXLYIKO-SILNSSARSA-N 404.539 5.101 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 58851357 DHUKSBILPJCIJD-GPHJXTMHSA-N 418.673 7.492 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCCOc1ccccc1 100270831 WBXUARMDOOMSDY-LYBHJNIJSA-N 412.489 5.341 10 40 HKCB C/C(NCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112125261 HZJSSOQIWLOVTQ-XLNRJJMWSA-N 401.897 5.155 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc12 113831252 DOOMHHXJRVSBGN-VCHYOVAHSA-N 416.354 6.552 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222963805 CABLTWDEOVAPOH-XZOQPEGZSA-N 422.573 5.401 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409023368 LIZORYWRIVMPBN-MOSHPQCFSA-N 423.940 5.823 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S 2852074 XBNZRKXPQGURRP-YVLHZVERSA-N 424.374 5.794 10 40 HKCB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccccc1 13547354 QCMRSOZFOXIOES-STZFKDTASA-N 421.518 5.811 10 40 HKCB Cc1cc(C)cc(Oc2coc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)c1 19791712 VZCLAXBIUYOEHD-UHFFFAOYSA-N 423.553 6.022 10 40 HKCB biogenic CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32593974 QRWCXZYJZDLIOH-NPRIEWAGSA-N 417.571 6.503 10 40 HKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 408736966 FJBPWWXVMDSSCH-UMFSSWHCSA-N 411.501 6.131 10 40 HKCB Cc1ccc(N/C=C/C=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2520677 IRHGBISZIHBFNA-HWXUXPMTSA-N 406.576 5.464 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 4321336 POHNNZIHPZIYMQ-BVMUCEKZSA-N 412.489 5.692 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 5371914 PUFMUZNQHAGPOY-PXNMLYILSA-N 408.331 5.602 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1 13280942 HZHAZMCNVLHOPF-ANDFITQPSA-N 413.506 5.050 10 40 HKCB Cc1ccc(C)c(/N=N/c2cc(C)c(/N=N/c3c(O)ccc4ccccc34)cc2C)c1 100005666 NPGIHFRTRXVWOY-XOXGWFOHSA-N 408.505 8.610 10 40 HKCB in-vitro CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1 103918760 IWFPELRRIJQFHS-UYRXBGFRSA-N 410.930 5.839 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 409250826 OCWPBGMTPBRXDD-MOSHPQCFSA-N 403.507 5.034 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S 409345636 JTWSUKCYLVAIAS-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 409348522 OCUAGEBEVIBFIM-FHXOWUIVSA-N 403.956 5.923 10 40 HKCB O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1416007 NUYAQJFXSJWDFC-REZTVBANSA-N 419.358 5.485 10 40 HKCB CC(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O 4746957 RUUKUBGUXJRYAF-UHFFFAOYSA-N 413.473 5.510 10 40 HKCB O=C(c1ccccc1)c1ccc(O)c([C@H](c2ccccc2Cl)N2CCCCC2)c1O 4854755 JKYBXTTWNPIXTM-QHCPKHFHSA-N 421.924 5.558 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 4858005 WSEJSTGPFRWION-ATNQNJDISA-N 418.522 5.246 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C 208227471 DLJANOIIEKXIAE-RDPIHGLISA-N 422.619 6.123 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 408777052 UXHHCTBAWCOSQR-NLZIUFDSSA-N 403.551 5.256 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ncccc4c3)C2=O)cc1 408986645 RXDSVTKMWBTNQJ-HAVVHWLPSA-N 418.496 6.105 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 408996915 KKTHKZDKJTXHNS-LPYMAVHISA-N 404.901 5.008 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2cccs2)SC1=S 8615405 IARZUOKHXXVXTN-GQEMFKIVSA-N 421.568 6.153 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409017334 FUKPFKSEXDFUSP-HBBMIWKISA-N 410.583 6.226 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(c4cccc(SC)c4)C3=O)c[nH]c12 409330716 LLTUTBQRQNTFNA-ZDLGFXPLSA-N 410.589 5.858 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 4106874 IAFXABXGDQSUGV-XKZIYDEJSA-N 403.913 5.862 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1 13713445 IHVLDDKYAGWRGT-MOSHPQCFSA-N 413.564 5.274 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc2[C@H](C)CC1(C)C 208311979 WYRGMSFLWURJGU-PJMHOZITSA-N 423.557 6.020 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)c1 408762946 CQPOWLYWKHNQEB-FYJGNVAPSA-N 407.300 6.136 10 40 HKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4cccc(Cl)c4)o3)CC2)cc1 2383365 ZHMFVUKOJDQKGP-UHFFFAOYSA-N 400.906 5.237 10 40 HKCB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215977 NISITWDMQGXPRL-DYESRHJHSA-N 412.898 5.358 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 13810030 JERIWRPQOYWGRY-PDGQHHTCSA-N 406.825 5.104 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3cccc4ccccc34)cc2)CC1 218914348 VKLXEEFIGDDOGD-HXUWFJFHSA-N 402.538 5.332 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(F)cc1 222614043 DBJXPRWGCJHYNF-ITEAAPOESA-N 406.530 5.218 10 40 HKCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc2ccccc2c1 408902391 IIKHTSCBQVMACZ-IWIPYMOSSA-N 421.525 5.018 10 40 HKCB COc1ccc(CN2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408984161 FKCLYHYWGMAPDH-RCCKNPSSSA-N 401.893 5.816 10 40 HKCB Cc1ccc(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2208945 XSAWBHNHSBEPPT-UHFFFAOYSA-N 423.516 6.328 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 2220653 HMJZOWULXOKDED-IMSXRSKXSA-N 407.941 6.656 10 40 HKCB Cc1cccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1C 8820418 DWIITMRJPYEVGR-KZBAPLJJSA-N 422.575 5.090 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 16740093 MTLCPBWFZQXXBU-KFURHSOJSA-N 422.575 5.090 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408758327 IWTIEEYPXXFARU-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408979135 OVIOALDYNPKXQQ-DHDCSXOGSA-N 422.695 5.524 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@H](C)C2 798224 UWTAJMOKQWXUCP-HNNXBMFYSA-N 407.539 5.141 10 40 HKCB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 2488523 KVGKTBJNHOCAGT-CKFHNAJUSA-N 401.260 5.192 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccccc4)o3)c2C)cc1 12608370 BDMJYSHELAJYTL-UHFFFAOYSA-N 403.507 5.428 10 40 HKCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(Cl)s1 29071921 MQGXJVOBBJFGHH-OAHLLOKOSA-N 418.971 5.419 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 206294455 HHKQCRJLXTUVLA-LDADJPATSA-N 403.956 5.925 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222790046 FTHXJVDBANBUDP-PKTZIBPZSA-N 404.583 5.098 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260774931 OFUIIBVNOARHGU-GAZXMLTASA-N 416.594 5.641 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccccc1F 408600949 HPKMJNFGQJRHDK-ZDLGFXPLSA-N 417.433 5.770 10 40 HKCB CSc1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408987387 XFEJFENMZQWSMJ-XDJHFCHBSA-N 403.934 6.533 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 409332247 PXLMEBMMCYSRSW-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1 409342119 BQGHBTIHAXWKPU-YVLHZVERSA-N 405.928 5.153 10 40 HKCB CCOc1ccc2ccccc2c1C1=Nc2ccccc2-c2nnc(SC)nc2O1 5673763 MKUNMYLLHCATKM-UHFFFAOYSA-N 414.490 5.283 10 40 HKCB Cn1cc(/C=C2\C(=O)N(CN3CCCCCC3)c3cc(Cl)ccc32)c2ccccc21 9423418 CGNURARBAHRMDM-HMAPJEAMSA-N 419.956 5.552 10 40 HKCB Cc1oc2c(CN3CCC[C@H]3c3cccs3)c(O)ccc2c(=O)c1-c1ccccc1 32855937 TVOOHLIKFMUKMQ-FQEVSTJZSA-N 417.530 5.873 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)SC1=S 110217855 VFZZRLBSCATWNH-SXGWCWSVSA-N 421.385 5.078 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 409198837 LQWUIUNZGZVWSI-XSFVSMFZSA-N 406.532 5.435 10 40 HKCB Oc1c(/N=N/c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)nn1-c1ccccc1 13775620 SUMRBHVGPZHKRG-OCOZRVBESA-N 409.276 6.967 10 40 HKCB CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21 96254781 JVMXGJWEJYVFKR-MOHJPFBDSA-N 408.501 5.627 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O 211634359 AUOXIGXMVNXOLH-MHWRWJLKSA-N 405.928 5.159 10 40 HKCB S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCC1 408735769 WSVLDIOEZXKYAW-UHFFFAOYSA-N 422.557 6.272 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1 408753089 HSNMQYGRYCLYRD-KGENOOAVSA-N 407.300 6.136 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409160982 RWLMXPSEKTWDHD-VGTOOOLASA-N 418.673 7.492 10 40 HKCB Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 710211 WQQYNMWVLPWGKY-UHFFFAOYSA-N 412.883 5.681 10 40 HKCB Cc1ccc([C@@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)cc1 904892 JALUXOUXIOZBRS-HXUWFJFHSA-N 405.291 5.340 10 40 HKCB CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 5177252 WQBYEXBMKKTEMX-AMBUPLIYSA-N 419.554 5.247 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 6630100 UXEIZGGUYHAJLG-UHFFFAOYSA-N 419.912 6.247 10 40 HKCB CCCN(CCC)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20230730 IXNILRJKOCDOAS-JJIBRWJFSA-N 414.553 5.527 10 40 HKCB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 408807274 GTYKOJMBGKTZPU-ZUZVBVLKSA-N 420.602 5.807 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C/c2nc3cc4c(cc3s2)OCO4)cc1 4863694 JCZATSPLGXUDII-JLHYYAGUSA-N 414.530 6.222 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)SC2=S)cc1 59514307 SATLAJCTBIHRNH-VGOFMYFVSA-N 412.319 5.113 10 40 HKCB C/C(Nc1ccc(C)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920846 YPOAQNKNCNUNIS-XLNRJJMWSA-N 424.529 5.742 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(F)F 211633721 VFJDBWNGJYWRRV-MHWRWJLKSA-N 407.463 5.011 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 408765326 VIDXVQNGBSAZNX-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCC(C)C)c(Cl)c1 409044061 AQZLKUFBOWWAJX-RQZCQDPDSA-N 403.309 5.834 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 4151436 MZPRADALSUCTGP-HDMKZQKVSA-N 401.260 5.192 10 40 HKCB CCc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 4603319 VILBASSFZPQAKS-WCWDXBQESA-N 407.495 5.121 10 40 HKCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 5174069 QEIJWMCFXLKTIW-XMHGGMMESA-N 401.849 5.510 10 40 HKCB CCCCCCNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12 5782634 ULFUFZLCZTZFOI-UHFFFAOYSA-N 410.518 5.277 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1C 9232288 HMPUJGYJBXFAIG-CXUHLZMHSA-N 422.344 5.611 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 40005899 MGASTAWSXOYKRS-WQRHYEAKSA-N 419.955 5.149 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(F)cc3)cc2)CC1 219262137 FHCLVUKEXAZGEQ-SFHVURJKSA-N 400.563 5.173 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222879653 PBQBPOKTXVCCCF-LADGPHEKSA-N 418.610 5.488 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4)c3C)N21 260783744 UHLHHCVTYCLMRD-YSZBQJHXSA-N 402.567 5.469 10 40 HKCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 408963910 DPKAIWFDSPCFAK-CPNJWEJPSA-N 405.548 5.203 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1CCCc1ccccc1 409136500 UWNBLJALMIKCND-LTGZKZEYSA-N 410.514 5.095 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 4599322 CWFRPHGNWQRVJA-ZGKJFVQXSA-N 418.884 5.747 10 40 HKCB CSc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 5171741 ZIVFQGDXVIXGHL-DHDCSXOGSA-N 411.495 5.833 10 40 HKCB COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OCc1ccc(C)cc1 6841189 XPOOQJRHXDJXJG-JCMHNJIXSA-N 422.550 5.039 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208462054 YASFNZLNPABMGR-XKZIYDEJSA-N 418.562 5.863 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)C1 218666950 AYOIWUKUXRVYPC-NJDAHSKKSA-N 422.613 5.865 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)c(F)c3)N21 222691165 HQNJGFUPJIAMKC-MTNREXPMSA-N 410.562 5.190 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 409021747 WTDPCROIKWHPCN-YVLHZVERSA-N 402.277 5.179 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1CCCc1ccccc1 409131406 IYWGZEHBYZHWOO-RELWKKBWSA-N 406.551 5.346 10 40 HKCB COc1cccc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)c1OC 1243735 DXHAAXPSRYKPLP-CPNJWEJPSA-N 407.516 5.263 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 2962069 YHHZEBWNPXIUEW-MFOYZWKCSA-N 424.374 5.794 10 40 HKCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 13941755 RLJAVNUTMIAJFQ-CPNJWEJPSA-N 406.840 6.039 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222962473 YPXNHYAZQIUJMC-BJKOFHAPSA-N 418.610 5.570 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225770254 LSCSWLJCFLMDFR-NRFANRHFSA-N 408.586 5.611 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225833258 DJIDFRYDNNXKAI-YADHBBJMSA-N 422.613 5.999 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 408759540 GSPLZHCQOOYLSP-PXLXIMEGSA-N 419.887 5.380 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Cl)cc2)cc1 408764377 MPNUCSIYSOZVPV-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)o2)cc1 409345171 KDOKWFABFDMBOR-FYJGNVAPSA-N 419.527 5.863 10 40 HKCB O=C1c2c(O)ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(Nc3ccccc3)c21 8927328 ZFPNHHAKQMROGS-UHFFFAOYSA-N 422.440 5.360 10 40 HKCB O=C1N=C(c2ccc(Br)cc2)S/C1=C\c1c(Cl)cccc1Cl 13525049 QJHIGXIUYPRNJN-ZSOIEALJSA-N 413.123 5.817 10 40 HKCB C/C(NC1CCCCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17090828 RWCCYVRNACGMAE-PGMHBOJBSA-N 416.550 5.244 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccco2)cc1 44086193 NPXPOLCWADFHOW-UHFFFAOYSA-N 417.534 5.539 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)C1 218933783 AQWJNGSCWKEUNR-WOJBJXKFSA-N 408.586 5.477 10 40 HKCB CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260742387 VRQJTSPVLIRMHU-OALUTQOASA-N 411.615 5.758 10 40 HKCB CC(=O)Oc1ccc(Cl)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 408744123 WVXPUUZQWMSNHL-RIYZIHGNSA-N 419.658 5.009 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408758416 ZXBRGNMTMFHHTD-AFUMVMLFSA-N 412.537 5.529 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 409327805 NFMRZAYJBANGHM-XDHOZWIPSA-N 417.527 5.419 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1O[C@H](C)CC 409341468 BCRPBACUTDWFLV-KWPCUBQOSA-N 419.612 5.797 10 40 HKCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C 1153018 NQPSIHADTOPIAH-FYJGNVAPSA-N 419.912 5.562 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1 5506145 BDOKPPFKLGCQTJ-LFIBNONCSA-N 407.463 5.093 10 40 HKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096034 RNSCSHGUBZRHLT-OHUGHZGNSA-N 414.530 6.714 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@H]21 7097760 RJCUQRQYGBIPBX-DRMXPCRNSA-N 402.335 6.943 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@H]2C=CC[C@@H]21 8336109 RSKCYQDLZYNWOI-AUSJPIAWSA-N 404.735 6.246 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2OC)C1=O 9232468 ICARISAYISSBBH-KGENOOAVSA-N 421.543 5.653 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 22226052 IEDNBIXKFDJHHH-OQLLNIDSSA-N 424.316 5.003 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S[C@@H]2c2ccccc2)cc1 32594775 YUIIIMDNCKMUOD-IVNHJSRESA-N 400.547 5.881 10 40 HKCB CCOc1ccc(/N=N\c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)cc1 104389421 KTAYWQSBDYZAKM-MMUCEYJRSA-N 410.455 6.163 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208441690 DGGGULXZPBNVBW-MTJSOVHGSA-N 422.525 5.694 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1 225013844 NFXUOPQDHZGKCY-ZEQRLZLVSA-N 416.594 5.404 10 40 HKCB CC(C)(C)c1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(C(C)(C)C)c1O 408764954 APKPIFWJFZAWQA-UHFFFAOYSA-N 400.515 5.131 10 40 HKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12 409229077 JKMPTROQTHVAAV-LFVJCYFKSA-N 421.500 5.340 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)cc1 409350806 YTEMDUGQPIDMGY-RCCKNPSSSA-N 424.591 5.400 10 40 HKCB Clc1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4309492 ZRVUUSYPRMGSDR-VMGFYNCMSA-N 409.960 7.388 10 40 HKCB COc1ccccc1NC1=NN=C(c2cc(C)n(-c3ccc(C)cc3)c2C)CS1 5660408 APSYDEZCWQEJSY-UHFFFAOYSA-N 404.539 5.330 10 40 HKCB CC[n+]1c(/C=C\c2cc(C(=O)OC)n3c2sc2ccccc23)sc2ccccc21 5733332 GYGMYGDJGJJPGR-UHFFFAOYSA-N 419.551 5.633 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1C 15133746 LDBIRIBRGMXCLT-CXUHLZMHSA-N 423.390 5.881 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)COc2cccc(C)c2C)c2ccccn2)cc1 28291160 QCOZMWCQSODMNM-UHFFFAOYSA-N 417.553 5.157 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103917070 WDRGUZWXCMHESF-YVLHZVERSA-N 417.321 5.712 10 40 HKCB COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1ccc(O)cc1 104388892 FRASVXZUWANQQU-YEUCEMRASA-N 412.427 5.478 10 40 HKCB CCCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OCC 106369200 QWWREKMONRLSMU-UYRXBGFRSA-N 416.930 5.610 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834569 QRUUIMSSCDAAKE-DNQXCXABSA-N 418.610 5.487 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)c(OC)c1 408760309 WJWOPMZNQZOZRD-KGENOOAVSA-N 418.880 5.192 10 40 HKCB CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(F)cc3)c2C1 751822 WKEAGAQQWLURLF-UHFFFAOYSA-N 412.302 6.201 10 40 HKCB biogenic O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccccc1 1220319 ZMDZCPNOJLUINF-UNOMPAQXSA-N 411.935 6.001 10 40 HKCB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 216380033 VHNIYVSLGQTZLQ-NRFANRHFSA-N 402.991 5.517 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 408752117 BUNGGYIPWTUNSE-KGENOOAVSA-N 423.299 5.837 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(C)n1-c1ccccc1 409195078 PCDGDLSNSYYEIU-DEDYPNTBSA-N 407.564 5.050 10 40 HKCB CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 4773062 BTBDLQXPXJJZGX-UHFFFAOYSA-N 421.522 5.292 10 40 HKCB O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(Cl)ccc1Cl 5392772 ZBHZNRJEHKOTCV-QURGRASLSA-N 406.294 6.210 10 40 HKCB Cc1ccnc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1 5931909 NGAWFARRBBNJRI-HXUWFJFHSA-N 409.411 5.864 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 20058206 MZPRADALSUCTGP-IIDMSEBBSA-N 401.260 5.192 10 40 HKCB COc1ccc2nc(N/C=C3/C(=O)N(c4cccc5ccccc45)N=C3C)sc2c1 101122643 JBIFDZPKKXSDGR-QGOAFFKASA-N 414.490 5.177 10 40 HKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)O2)cc1 408757558 ZXEZAPSXALPMKP-HAHDFKILSA-N 413.517 6.091 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 408984133 FFJZLUNOIYVHRJ-CAPFRKAQSA-N 401.893 6.210 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 409151573 HEIPQQXXFHDGGO-QFSBIZTOSA-N 405.679 5.837 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 2682575 RHBXPENUBWQRDP-UNOMPAQXSA-N 411.935 6.314 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188807 NVPSTIDDJNJBQJ-QNGOZBTKSA-N 403.528 6.193 10 40 HKCB CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2cc(Cl)cc(Cl)c12 31923641 UGDGOHZYNVAKEY-OAHLLOKOSA-N 404.385 6.617 10 40 HKCB Cc1cc(C(=O)Nc2cccc(Oc3ncccn3)c2)c(C)n1-c1ccccc1F 69348471 SHIJNZPCDALSQS-UHFFFAOYSA-N 402.429 5.068 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 100148037 JVONPAIHJBUCCZ-SFQUDFHCSA-N 406.825 5.104 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3F)cc2)C1 223457998 ZQJQQZSUSQPILL-MRXNPFEDSA-N 420.981 5.265 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226693247 WEVPXBSNJYPFKD-PEBVRCNWSA-N 405.679 5.837 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccccc1 408849136 YVKJNMLZWQEYSI-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc2ccccc2c1 408948666 PRVVYXYCRNQOFW-UHFFFAOYSA-N 420.306 6.077 10 40 HKCB Cc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN(C)Cc3ccccc3)c12 5182738 JYKIQKYJTNHQQF-UHFFFAOYSA-N 414.505 5.640 10 40 HKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1 8764018 GUHPASDXFULSIR-HKWRFOASSA-N 424.591 5.178 10 40 HKCB CCCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 21729030 PJZIQKWXWYGRDI-HSZRJFAPSA-N 413.477 5.104 10 40 HKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(Cl)c1 33375386 NTPVTYNAPQPAJG-ZSOIEALJSA-N 410.745 5.508 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc4ccccc34)cc2)CC1 218914411 VKLXEEFIGDDOGD-FQEVSTJZSA-N 402.538 5.332 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 409135431 QRWMCFKKAOUEGL-HAHDFKILSA-N 422.594 6.587 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 5602165 XLZOOPPLLOEQAC-UHFFFAOYSA-N 406.290 5.025 10 40 HKCB Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 5942651 BNCMZGUFGCHNEI-BOPFTXTBSA-N 413.260 5.023 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)CC1 217990249 YVEISAFNMGWBGI-MSOLQXFVSA-N 417.018 5.934 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2F)N1c1cccc(Br)c1 408763143 HUKHQKHGKZWKRK-LDADJPATSA-N 411.230 5.016 10 40 HKCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc2ccccc12 409339493 JAWGAMAJHORUCK-LDADJPATSA-N 415.461 6.264 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=N)N12 103563328 CVHDCXAJTGKCEN-ARBPROEFSA-N 412.518 5.414 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222611884 JIXYWRKKHIOKAD-RTFZILSDSA-N 402.567 5.387 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222789988 FTHXJVDBANBUDP-GOTSBHOMSA-N 404.583 5.098 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1 225013768 NFXUOPQDHZGKCY-RPWUZVMVSA-N 416.594 5.404 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3F)C2=O)cc1 408765832 YGZGCJVJJBOPOC-ATVHPVEESA-N 423.846 6.098 10 40 HKCB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3c(Cl)cc(Cl)cc3Cl)c2n1 3848777 CEEMRAZWWVTHPI-WCWDXBQESA-N 423.613 6.014 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c1C 4106911 CZHVRZKCEQHIMJ-HYARGMPZSA-N 402.519 5.952 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 144228879 MCZNNNFHJWKXJB-JCMHNJIXSA-N 417.534 5.401 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)CC1 218676985 DDKSXAAGKGZHMH-ROUUACIJSA-N 400.950 5.221 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 222703331 KGUAIQNZUWTTKD-OFAXGOBFSA-N 417.582 5.172 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222828294 NCKNJIFAWXBCOY-ZEQRLZLVSA-N 418.610 5.432 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222871939 PQSVSLRHFFGBOA-GOTSBHOMSA-N 404.583 5.180 10 40 HKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408764821 AGKVEZZSLUHXRB-KAECEXQPSA-N 416.304 5.427 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 4107248 YSPKQKWJPKHKKR-QHKYSRAXSA-N 418.996 5.673 10 40 HKCB CCCCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2C)SC1=S 4714753 KJORLTNDWDUGIJ-MJZABRMRSA-N 412.605 5.767 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 5796466 KFBFFOIWLZCQTP-QTEQDKRBSA-N 407.535 5.184 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 13880817 VZTFCSSENSQTJK-MOSHPQCFSA-N 412.942 5.485 10 40 HKCB COc1cccc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)c1OC 16695915 WNYBLRRPXXIZRB-NTEUORMPSA-N 409.294 5.093 10 40 HKCB CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408975497 MGWJTEDRWZEURL-JCMHNJIXSA-N 416.908 5.721 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4C)C(=O)N=C3O)c2C)cc1 1875807 LBOUBDAPDVHUTP-STZFKDTASA-N 413.477 5.218 10 40 HKCB CCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3cccc(C)c3)cc2)cc1 5418910 LKTKTYMFVIZISR-CYYJNZCTSA-N 402.494 7.199 10 40 HKCB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccccc2)cc1 9281245 ACQVDWDZYDCAIC-VWLOTQADSA-N 422.484 5.546 10 40 HKCB CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 19898683 BJYPTCSTEWHGCQ-HNNXBMFYSA-N 420.534 5.540 10 40 HKCB biogenic CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 103918694 RXBHGZZHBQUDBG-PGMHBOJBSA-N 404.539 5.802 10 40 HKCB CCOc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCC(C)C 107803953 NTFSBGQZXJSLCJ-XKZIYDEJSA-N 424.566 5.819 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 260759237 FJTCZCSKFBCTJE-YSZBQJHXSA-N 420.557 5.608 10 40 HKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 408737393 ONFRRRWQZJCRNO-HKZYLEAXSA-N 414.299 5.403 10 40 HKCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 409328622 ZAZIGWNLWCQTFT-AUWJEWJLSA-N 415.845 5.470 10 40 HKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 2352061 BCQSDJLQPQTFTI-UHFFFAOYSA-N 400.906 5.237 10 40 HKCB Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Br)c(O)c2n1 2497728 IHCROUNMYVWTAS-NRFANRHFSA-N 420.310 5.608 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4081972 JKZXWJQNMSFOGV-VEVIJQCQSA-N 400.227 6.719 10 40 HKCB CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1OC 5737127 VSZDXAQTZNLUPR-HSZRJFAPSA-N 415.493 5.253 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260578881 WKNZARNLCCDSDV-WMZOPIPTSA-N 400.950 5.141 10 40 HKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OC(C)C 408972076 ROHPBVRJBVUOJE-ATVHPVEESA-N 418.415 5.221 10 40 HKCB CN(C)c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4733234 NRZWBGIPUKXUMH-UHFFFAOYSA-N 406.529 6.651 10 40 HKCB Cc1c(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc2n1C 4817116 BUOAQQQNIHWMLZ-WUKNDPDISA-N 405.501 5.415 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 8821848 RXUBNQTZZGUQIE-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB Cn1cc(/C=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 13804248 IZYULPXOEHKUGZ-YVLHZVERSA-N 401.413 5.280 10 40 HKCB CCOc1cc(Cl)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 13915136 JNIVHHOGQXXABL-WOJGMQOQSA-N 419.955 5.543 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1Cl 14921203 IBPQXGGVGCOZPK-VXLYETTFSA-N 416.999 6.043 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 15218411 RHPWFSMGWWBNSF-LYGAQUJYSA-N 411.672 6.087 10 40 HKCB CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 103604850 SUHSGBIPOVAKSM-HJHQPXSGSA-N 418.566 5.775 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 214475887 PCOVQAZTTLKHOK-HYARGMPZSA-N 402.519 5.639 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc2ccccc12 409345463 IOOGHJBCRLJYGR-WQRHYEAKSA-N 416.354 6.552 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 4721980 NRDYEOBJMGFFQC-SOZUMNATSA-N 407.819 5.972 10 40 HKCB C=CCOc1c(Cl)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Cl 34718836 GCALSQQXTLYIJX-WJDWOHSUSA-N 405.306 5.641 10 40 HKCB Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(F)cc1 408804414 FQOXFSGHVMWHFY-UHFFFAOYSA-N 410.469 5.135 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(F)c1 409338269 GXFQKWFNWXJGMK-MOSHPQCFSA-N 407.491 6.024 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc1 6324041 QOKUQLCFMTXAGU-MDOVXXIYSA-N 406.784 7.771 10 40 HKCB Cc1ccc(-n2c(C)cc([C@](O)(c3nc4ccccc4s3)C(F)(F)F)c2C)cc1 12619461 VPIYPLIUHCGJQI-NRFANRHFSA-N 416.468 5.810 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4513304 DQXWFOCJQYKYMF-VXUOGJGISA-N 406.957 6.181 10 40 HKCB O=c1c(-c2ccccc2)coc2c(CN3CCCC[C@H]3c3cccnc3)c(O)ccc12 20762855 NSGCFKWFBQELNH-QHCPKHFHSA-N 412.489 5.288 10 40 HKCB biogenic C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)C1 217953042 IPJAAONCUVKVIL-VJNHWAOBSA-N 404.598 6.111 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 222718871 SLZCTUGUTCGWQA-PDIWNELESA-N 418.566 5.169 10 40 HKCB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486858 SCMJVIXUSKAJOR-WMZHIEFXSA-N 421.884 5.082 10 40 HKCB COc1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1 408735301 QBNJTMIMCZDDHD-UHFFFAOYSA-N 405.523 5.359 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408900919 ABRIYNKMAROFSH-GZTJUZNOSA-N 419.955 5.542 10 40 HKCB Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccccc1 408969476 OFJQIYQXDPLFPD-ZHZULCJRSA-N 409.411 5.443 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 409169585 QBUFDABLMSWIOI-NVGCLXPQSA-N 413.117 6.722 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3Br)cc2)CC1 218221413 TZLRFZCUBOCUFZ-INIZCTEOSA-N 401.348 5.176 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2)cc1 408763373 NIUVSIQZRDENCO-LGUFXXKBSA-N 418.496 6.073 10 40 HKCB COc1cc([C@H]2Nc3c(C)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 4757574 XBJNOLZWBKIZPE-AKCHCHLHSA-N 400.316 5.601 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1 5201074 NEAVZOXVSKEKMF-MKMNVTDBSA-N 400.739 6.053 10 40 HKCB O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1Cl 5717346 LGYDPRKACXQVRG-HPNGUZSYSA-N 402.884 5.210 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222783582 QFYUGRIGOVWXKP-GOTSBHOMSA-N 404.583 5.044 10 40 HKCB CCN1c2cc(C)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2[C@@H](C)CC1(C)C 223577712 SKZIVVSCGUCSKS-FSTGKYBXSA-N 401.554 5.913 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)C1 225689729 CJCRMHSOQSMFCV-HNNXBMFYSA-N 418.404 5.172 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 409155266 QOKUQLCFMTXAGU-SIFCLUCFSA-N 406.784 7.771 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 409350715 YMXWDTMNYUIFSD-IUXPMGMMSA-N 419.358 5.891 10 40 HKCB CCCN1C(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC1=S 4702392 WDWUAGQGPWFVHA-KEBDBYFISA-N 413.608 5.471 10 40 HKCB CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2cc(Cl)cc(Cl)c12 4748377 UGDGOHZYNVAKEY-HNNXBMFYSA-N 404.385 6.617 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 8809804 VRIFQXWFSMSRAV-UDWIEESQSA-N 424.978 6.153 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc2c(c1)OCO2)c1ccc(C)cc1 16948833 YRHOSSYRHUPJNW-QFBRGKPISA-N 422.484 5.613 10 40 HKCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCC[C@H](C)C3)c(O)c(Cl)cc12 20328643 IMSTWSGOWCZXAJ-HNNXBMFYSA-N 411.929 5.283 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C)c1 21149582 JHMYAKDERGGUSK-OCOZRVBESA-N 402.479 6.688 10 40 HKCB COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1ccc(O)cc1 104388896 FRASVXZUWANQQU-KEEJTVGESA-N 412.427 5.478 10 40 HKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408534362 QQFAEIVTERSOSV-GDNBJRDFSA-N 404.695 5.129 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(F)c2)cc1 408791271 XYYDKYMVLXPSSY-CPNJWEJPSA-N 400.409 5.514 10 40 HKCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2268584 CTPSGSQJQXIPOG-MOSHPQCFSA-N 419.575 5.377 10 40 HKCB O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCCCC3)nc2N2CCCCC2)cc1 16400508 SPPQAUWFLMQMDK-QURGRASLSA-N 400.508 5.447 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408983473 BZMULJHUPSXQFR-XDJHFCHBSA-N 419.883 6.349 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409021298 AIMMYPRTZFJPDV-PDGQHHTCSA-N 415.411 5.199 10 40 HKCB CCN1C(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC1=S 409349923 WMCUXHXTOGHZFN-STZFKDTASA-N 405.544 5.640 10 40 HKCB COc1ccc2c(c1)S/C(=C1/C=C(c3sc4cc(OC)ccc4[n+]3C)CC1)N2C 685944410 IVTJBUQLLYZKRA-UHFFFAOYSA-N 423.583 5.374 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7097208 WQHYDXHDMTWESQ-IMSXRSKXSA-N 402.335 6.943 10 40 HKCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 33446786 PHWGSZUKVYVWON-VGOFMYFVSA-N 410.303 5.097 10 40 HKCB Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1Br 408972264 QKKNMFNHKKWMIK-ZROIWOOFSA-N 409.205 5.106 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(C)C 409347878 NGWJJZMAIADAEQ-UDWIEESQSA-N 413.564 5.444 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccnc1 5128135 FIXRKJFLAMFVTB-QGOAFFKASA-N 403.279 5.315 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1 7995047 ZPWICQYHBDZVIL-QGZVFWFLSA-N 407.510 5.591 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc1 8819739 PKYWXHHJRUGYJD-SILNSSARSA-N 424.591 5.395 10 40 HKCB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 12637218 KIDCWPMEGOLBDL-UHFFFAOYSA-N 419.449 5.105 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 226707989 RTQZHQDYROZZRV-VKJFTORMSA-N 407.682 5.771 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 408736941 DZEHBJWTJPXURH-LAPQFRIASA-N 404.735 6.246 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 408755073 MIYZOGGGDOKCJT-JXAWBTAJSA-N 403.865 5.526 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2F)cc1 408758393 JODYUWXOXVNLOL-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(F)c1 408983379 BLYPSQCRCPVHBP-GZTJUZNOSA-N 410.275 6.604 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1Cl 2255465 RDJIBJGTGDGJGK-NVNXTCNLSA-N 414.766 6.361 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4502242 PLBLHQIQVLEBNH-IUKKYPGJSA-N 403.884 6.537 10 40 HKCB CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)C=CC(C)(C)O2 5601526 PSEBCAMYGWGJMH-UHFFFAOYSA-N 420.461 5.270 10 40 HKCB biogenic,in-vitro COc1ccccc1N1C(=O)/C(=C/c2c(OC)ccc3ccccc23)SC1=S 6007458 LRVAHMYZNBFURA-MOSHPQCFSA-N 407.516 5.263 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 33702998 UPJHDYBFFSDAOY-NDENLUEZSA-N 413.518 5.086 10 40 HKCB CN(C)c1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 34144991 FQSNEXBLGOXXND-MHZLTWQESA-N 406.529 6.185 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1C 35646665 ADCIXQQEMOCINU-NDENLUEZSA-N 419.462 5.554 10 40 HKCB CC1=C[C@@H](CNCc2ccccc2O)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262181 KQRYMPYFRPEGEB-VABKMULXSA-N 417.597 5.764 10 40 HKCB biogenic,in-vitro CCOc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2C[C@@H](C)CC)cc1 199408419 BJBMJZLPIZUDEH-KRWDZBQOSA-N 409.530 5.321 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(F)cc2)cc1 408843476 MZDDEMBKMSPZJB-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)cc1 409023208 UVVNBFGYXGVTGC-YVLHZVERSA-N 419.344 5.301 10 40 HKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 409079982 HEUWKQIAASFNSE-BOPFTXTBSA-N 409.272 5.534 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)N(C)C1=S 409128374 IFHFZCVQIYGVSG-KQWNVCNZSA-N 421.610 5.562 10 40 HKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Cl)cc1 409330640 LGIYUDXUWWWMOH-AQTBWJFISA-N 400.956 5.346 10 40 HKCB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc2ccccc12 409350490 YKLSSYAQHCRSJB-MOSHPQCFSA-N 415.495 5.352 10 40 HKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc(Cl)c3)c2C1 2512795 VAAIORSBFRYHDW-CYBMUJFWSA-N 414.730 6.325 10 40 HKCB COc1ccc(CNC2=NN=C(c3cc(C)n(-c4ccc(C)cc4)c3C)CS2)cc1 5660412 VROVDXUNPPYKTI-UHFFFAOYSA-N 418.566 5.008 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1C 6923838 XYLLKZZCVYXJDC-CXUHLZMHSA-N 404.900 5.271 10 40 HKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N12 13217664 CRVSWHJGFMPKEN-JHBSOEOQSA-N 414.893 5.054 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 14132007 GPXRZCOVZTVCBU-XQNSMLJCSA-N 416.546 5.923 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccccc4)=NC3=O)cc21 208453779 NFUFEKLHMQGLGY-BKUYFWCQSA-N 403.551 5.709 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Cl 222614319 VKKDAGRGHICLNA-ITEAAPOESA-N 422.985 5.732 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618188 QHGRVZVSWPJEFD-GKVQRAMASA-N 416.594 5.695 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408755723 FBKPXEVTNUJAJG-XKZIYDEJSA-N 418.928 5.565 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccccc1 408761955 IGHHWQCZEUEZOX-HMMYKYKNSA-N 403.279 5.284 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 409327577 KXFDLFYFXHGRKJ-MOSHPQCFSA-N 413.564 5.507 10 40 HKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1C1CCCCC1 409329100 CQRPBFLAAIBKNF-LZYBPNLTSA-N 421.385 5.464 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc21 409348538 OHIXBKVEHGPWDX-STZFKDTASA-N 421.591 5.523 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4363179 ZOJXXDRSGRXKGD-KEYYUXOJSA-N 404.691 5.627 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 4853954 COGLTAWLMUZDMX-DENIHFKCSA-N 411.288 5.941 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 5520192 CXLRSUWLKOEXGJ-DEDYPNTBSA-N 408.910 6.245 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 12273951 KHTPRHDZCKKLOR-ZSOIEALJSA-N 410.303 5.097 10 40 HKCB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(CCC1=CCCCC1)C3 54387970 JAGZFVNJNLUOKB-UHFFFAOYSA-N 413.473 5.251 10 40 HKCB biogenic Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144222031 MBCWFWKXOXTYMN-BKUYFWCQSA-N 422.937 6.297 10 40 HKCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219377206 VYPHDNNYUSYLNM-ZILOHOTNSA-N 408.586 5.575 10 40 HKCB CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260742380 VMHNBMPWFYLRDI-RBUKOAKNSA-N 411.615 5.758 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 408902362 NFOPJPCHIQIKGD-DEDYPNTBSA-N 408.523 5.639 10 40 HKCB CCCOc1c(/C=C2\SC(=S)N(Cc3cccs3)C2=O)cccc1OCC 7779573 MMGBXIFVCZNQCY-ATVHPVEESA-N 419.593 5.337 10 40 HKCB CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 19419685 XXYCFYHVQMQCTD-XMMPIXPASA-N 424.629 5.475 10 40 HKCB biogenic CC(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 33939038 DEDOHWINHQJMJV-GZTJUZNOSA-N 413.271 5.079 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 222695403 VFFHWMXHQHWWAO-CTUHWIOQSA-N 416.594 5.777 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222746531 CXMCGSZFMLKINP-LEWJYISDSA-N 410.974 5.053 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)cc21 260784158 VBWPSUMULGCJGI-PKTZIBPZSA-N 420.626 5.342 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408766447 QSESESOXIHLANL-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCC(C)C 409029654 CEMNWDKENVRMGF-JYRVWZFOSA-N 424.369 5.223 10 40 HKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409054908 OJOQCSMNTWKGIU-UCQKPKSFSA-N 420.553 5.121 10 40 HKCB COc1ccc(CCN2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1 5372220 QNRCGWQNVYSPPI-PHGFRJIASA-N 415.967 5.262 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 6952947 RUNARRDHWQJIEK-IUUKEHGRSA-N 401.260 5.192 10 40 HKCB COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OCc1ccccc1 13039620 JDMSQWYAERCCMU-JCMHNJIXSA-N 416.502 5.357 10 40 HKCB COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18193126 OKXRIBXLQGWQPT-HAHDFKILSA-N 407.473 5.319 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C 222872754 MKDQZFHSXNPYNE-ZEQRLZLVSA-N 418.610 5.434 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 409155871 DRNJKHXXTYJSSA-PRXAMGSTSA-N 423.669 5.976 10 40 HKCB CN(C)c1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 1446357 SFZJKRIWSAYVGE-HSZRJFAPSA-N 405.448 5.115 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c2ccccc21 2336253 OICVIZUIUCFGRZ-CPNJWEJPSA-N 403.507 5.031 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1C 4712919 RMCWHDHXBHEBHF-WPJXZCFSSA-N 416.352 7.249 10 40 HKCB CCCCCc1ccc(OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 7191686 GNCXIESHUUZZSO-BYYHNAKLSA-N 401.510 6.852 10 40 HKCB Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(C)n1-c1ccccc1 13142030 LZVBMLODTANPLS-UHFFFAOYSA-N 424.500 5.171 10 40 HKCB c1ccc(/N=N/[C@@]2(c3ccccc3)CCC(c3ccccc3)=NN2c2ccccc2)cc1 104133831 QCBOTJNLDYEQMU-UFEOWHGLSA-N 416.528 7.328 10 40 HKCB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 106782639 LKKSEFUVOUTUOR-XLNRJJMWSA-N 422.550 5.101 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 208731562 PVHFAXACYPIZIO-ATVHPVEESA-N 407.813 5.314 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 218940517 KRXHOGWTGSCIJL-SFHVURJKSA-N 400.950 5.141 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 408761876 IBEJDLWCSWCPPF-KGENOOAVSA-N 406.844 5.322 10 40 HKCB COC(=O)[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 8763287 MHZCURLOTNGKFR-HSZRJFAPSA-N 420.848 5.407 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215999 FTZPGFNNZGFBAR-XXBNENTESA-N 421.884 5.082 10 40 HKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1C 13880851 WIZNZDCVUOEUKH-JCMHNJIXSA-N 418.587 6.062 10 40 HKCB CC(C)N1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S 16750549 MXJSLTPUMIYPBB-SDQBBNPISA-N 416.749 5.458 10 40 HKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 83262037 YSCGDIPWARTZAQ-NBVRZTHBSA-N 404.893 6.879 10 40 HKCB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225797402 NZWNNWGOKGIZHV-WOJBJXKFSA-N 406.570 5.200 10 40 HKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1 408738856 PIIYTMWNGSISGP-CAPFRKAQSA-N 412.445 5.465 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 408945407 KPQNTQFKAOJPLB-UHFFFAOYSA-N 404.691 5.577 10 40 HKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC2CCCCCC2)cc1 17092726 BYMVOILBCITKRB-QJOMJCCJSA-N 421.516 5.172 10 40 HKCB COc1ccc2nc(/N=N/c3ccc(N(C)CCc4cc[n+](C)cc4)cc3)sc2c1 18100219 LMFNMZMMAMVZGN-OCEACIFDSA-N 418.546 5.224 10 40 HKCB O=C(Nc1ccccc1F)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408721627 KFTXXPRIQWJAMY-UHFFFAOYSA-N 417.443 6.481 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(C)c2)c1 408760698 DITNLOGBBGMUCG-LPYMAVHISA-N 421.327 6.445 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1C 409247585 DKRHBQPUIYOWAO-LPYMAVHISA-N 419.912 5.462 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 6348325 JSKBMLBBHBHCAO-QJOMJCCJSA-N 411.457 5.356 10 40 HKCB c1ccc(CN(Cc2ccccc2)/N=N/N(Cc2ccccc2)Cc2ccccc2)cc1 17005660 NQOAYYLTRTXFRH-QVIHXGFCSA-N 420.560 6.673 10 40 HKCB O=c1[nH]c(/C(Cl)=C\c2ccc(N3CCCCC3)cc2)nc2ccc(Cl)cc12 170593881 NBEHYSRWBGIBJN-LDADJPATSA-N 400.309 5.304 10 40 HKCB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222999602 WCIYSNIEFKPJSW-DHTSOJEISA-N 408.586 5.575 10 40 HKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 225654996 NEGAPRXYAXDQQC-INIZCTEOSA-N 418.006 5.633 10 40 HKCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(F)c1 408828411 MITKJRBKJVQDPZ-UHFFFAOYSA-N 417.864 5.030 10 40 HKCB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 409051441 ABPJFCSWKPVRBF-PXNMLYILSA-N 424.374 5.712 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1 409255120 YADXNEIVJPMUTM-OEAKJJBVSA-N 413.521 5.112 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409344652 HXSIUOHWVDHIKZ-LICLKQGHSA-N 424.374 6.188 10 40 HKCB Cc1cccc(OC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)c1 4697732 DBIPIMBRRLCVAV-UHFFFAOYSA-N 414.464 6.617 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4F)c3C)N21 222696561 WUPQPYKOTKGCSF-JJEOQYAHSA-N 420.557 5.608 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 408752333 AAGRVIVXYHHLLP-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(C)c2)cc1 408757141 XJVIXMCIROEWQH-NLRVBDNBSA-N 418.496 5.991 10 40 HKCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 1761573 BEEVPGDVKXPIBI-UOWJXHAGSA-N 406.359 6.346 10 40 HKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4628323 YRXYBIJDYKBRAN-DEDYPNTBSA-N 404.554 6.102 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 6324136 VAEWKPNFAOVJIQ-ZWOKBUDYSA-N 400.335 6.712 10 40 HKCB CC1(C)CC(=O)c2cc3c(N)c(C(=O)OCc4ccc(Cl)cc4)sc3nc2C1 16605248 WZWWZJMBZYIYQQ-UHFFFAOYSA-N 414.914 5.044 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C1=O 20238457 QYSBPWNJJDPGPG-ATPAHOSSSA-N 424.522 5.768 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4)cc3)cc2)CC1 44854066 IHUUVQSTCWFJDV-OAQYLSRUSA-N 405.586 5.010 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408849277 ZHIQMOPNFXQDJR-KGENOOAVSA-N 407.300 6.136 10 40 HKCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C 408968763 YSQAGPQQACJJFD-HAHDFKILSA-N 413.521 5.058 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 409339767 YAIFCMDJMSOSCM-NFECSFHCSA-N 405.585 5.406 10 40 HKCB CC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4786037 FLVINGVDMBUNPL-AHWVRZQESA-N 422.613 5.480 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 5164918 YQPDBSNXJCZZGA-YCWTWADVSA-N 419.554 5.212 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)c1 5182794 WXVOWAYQWFGMRU-HNNXBMFYSA-N 407.510 5.448 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Br)SC1=S 9188696 XCMSNWWXEISGMX-IEMQHYRPSA-N 404.354 5.412 10 40 HKCB CC(C)c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 85877351 LTEDWVYSOXVZLI-UHFFFAOYSA-N 409.486 5.444 10 40 HKCB biogenic Cc1cccc(Nc2cc(NC3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 100574250 PKCKBPOIJMLQCJ-UHFFFAOYSA-N 423.516 6.836 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 222672429 ICFLXWXSPFXQJX-MTNREXPMSA-N 422.985 5.814 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCC2)cc1 225695528 UPWAILCBUUPLKT-CYBMUJFWSA-N 422.367 5.236 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 225813138 XLVHLUSJEDZXIR-UHFFFAOYSA-N 418.606 6.064 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)C1 260466226 IPJAAONCUVKVIL-DONYXKEHSA-N 404.598 6.111 10 40 HKCB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409238515 DSNYNRNFZWELFL-GZTJUZNOSA-N 419.344 5.303 10 40 HKCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1092426 XVDXFZJAAFEREE-MTJSOVHGSA-N 422.481 5.136 10 40 HKCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC(Cc2ccccc2)CC1 2275581 OFVBUXKNWJYEQA-CYYJNZCTSA-N 420.513 5.307 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 4309889 VUQBUKWYEPSWLI-CKFHNAJUSA-N 415.287 5.583 10 40 HKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 6220455 DSZJWVMVPRZSCN-JKIFEVAISA-N 405.679 5.837 10 40 HKCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 7467967 HRIMENCNXCROIY-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB CCCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC 33644532 NZAAFTUKNUHGJI-PDGQHHTCSA-N 402.903 5.220 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 408753563 NLPDYJJVGIXGPI-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1 409329703 HPKMNBLWGJISQW-HMMYKYKNSA-N 410.564 5.091 10 40 HKCB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(C(C)(C)C)cc2)cc1 409376541 ZBRDKOOXIJBOIH-UHFFFAOYSA-N 421.537 5.557 10 40 HKCB CCN1/C(=C\c2sc3ccc(OC)cc3[n+]2CC)Sc2ccc3ccccc3c21 4046188 KNEYYEANOCQCMW-UHFFFAOYSA-N 419.595 6.301 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1 4366520 MIOFGYQKSYDPBN-UHFFFAOYSA-N 406.913 6.931 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 58883541 OXPGXHJSOFCNRZ-KQWNVCNZSA-N 417.549 5.985 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(Cl)c1 107701524 QLGRLWHWKBRFLT-ZHZULCJRSA-N 403.865 5.370 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1 248002563 RKFLGADYNUIFSK-PXNSSMCTSA-N 417.317 6.003 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(C5CCCCC5)c4C)C(=O)O3)ccc2c1 408757269 XCDJTZOWGWMXRK-XYGWBWBKSA-N 411.545 7.053 10 40 HKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408843224 QZLKXUDRDFJHPN-CPNJWEJPSA-N 421.815 5.222 10 40 HKCB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O 408902410 NHKRRPQHQHJIJV-QFNCUCFLSA-N 419.571 6.423 10 40 HKCB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 409326324 AFMRXGHDZKKZHS-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(C2CCCCC2)C1=O 409338171 FETXLTUAZTWHKE-STZFKDTASA-N 411.592 6.161 10 40 HKCB COc1cc2nc3c(c(-c4ccc5ccccc5c4)c2cc1OC)C(=O)c1ccccc1-3 2561568 YVCDSACMFGGNKA-UHFFFAOYSA-N 417.464 6.284 10 40 HKCB Cc1ccc(C)n1-c1ccc(-c2nnc(-c3ccc(-n4c(C)ccc4C)cc3)o2)cc1 3014133 NURFDEUKHKPAKY-UHFFFAOYSA-N 408.505 6.219 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 3212932 XOISKPONKCIMAD-XQNSMLJCSA-N 400.453 5.197 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4320324 ZXQVEPXPKIJYQR-MPGHIAIKSA-N 405.133 6.038 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)Sc2scc(-c3ccc(O)c(O)c3)[n+]21 5851651 MOZHDYKDVPQSDL-OMCISZLKSA-O 423.322 5.208 10 40 HKCB FC(F)(F)Oc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 18191777 IOBFLGYMQDYLKL-ZQHSETAFSA-N 408.383 7.058 10 40 HKCB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl 28287554 MQYLPFDDEYBKSV-SFHVURJKSA-N 423.944 5.110 10 40 HKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 97965333 QQRLPINOIZKSRR-SKXMAYPPSA-N 407.424 5.398 10 40 HKCB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466276 LXVYFUUDRVSPBG-OALUTQOASA-N 412.599 5.042 10 40 HKCB Cc1cccc(COc2ccc(/C=C3\C=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 408740657 CVBMXYYOJJFPPC-KGENOOAVSA-N 402.877 6.209 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 409169588 QBUFDABLMSWIOI-PSTGCABASA-N 413.117 6.722 10 40 HKCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 409342921 FXRNPOKNZHSGJI-RQZCQDPDSA-N 424.374 6.186 10 40 HKCB CN1C(=O)/C(=C\c2ccc(/N=N/c3cccc(C(F)(F)F)c3)cc2O)SC1=S 33386878 SJGCYHLCDRUGNR-AUUQIBHGSA-N 423.441 5.657 10 40 HKCB Cc1cc2c(O)c(-c3cc(Cl)ccc3Cl)c3nc4ccccc4nc3c2cc1C 67300080 GIZCMBOQYDOUET-UHFFFAOYSA-N 419.311 7.232 10 40 HKCB CC[C@H](Nc1nc(COC)nc2scc(-c3ccccc3)c12)c1ccccc1O 72277405 GLLXYSCIFIDYJR-SFHVURJKSA-N 405.523 5.774 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(F)cc3)cc2)C1 260577919 PIPJLPMPFMHREN-ZWKOTPCHSA-N 400.563 5.173 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(F)c1 408743801 VHPVCPGQDGLKRD-CIAFOILYSA-N 416.448 5.703 10 40 HKCB CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 1811360 XTHNVMVNFLNHPO-RUZDIDTESA-N 422.657 6.629 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 5164497 AEPPKFNTBVOYFC-GNKBHMEESA-N 424.560 5.180 10 40 HKCB O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 16477989 XSRVODSZKSKUKT-LDADJPATSA-N 410.292 5.770 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1C 100525039 CJZPYKCEMJHTSV-WWDJGNSZSA-N 423.929 5.955 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222879125 YFHNWRUXIWYWRG-BJKOFHAPSA-N 418.610 5.488 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1 781554 LSZNNKFDPOPYBA-UHFFFAOYSA-N 405.475 5.027 10 40 HKCB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 3319963 FUHLSDPJCJJDQR-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Cl)cc3)C2=O)cc1 17091255 IIGYPELOZZTXNN-JWGURIENSA-N 417.896 5.486 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 35043049 MKWLPHBFIDMLGV-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB O=C1c2ccccc2C(=O)C1(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 59484663 LZPNJMZBOVQCSI-UHFFFAOYSA-N 419.480 5.652 10 40 HKCB C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCC2)cc1 225694097 DLHOLFQSTAIEDW-AWEZNQCLSA-N 404.377 5.097 10 40 HKCB Brc1cc2c(cc1[C@@H]1Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]31)OCO2 408736128 GVJNUAIKPBSWJZ-VBURHUQHSA-N 420.306 6.158 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 408772907 IYCAQKWGPKBQFG-YMSBRDKKSA-N 421.541 5.395 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 409004307 AAPJWOACGYDRTJ-YVLHZVERSA-N 424.374 5.794 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)cc1 409328667 ZQXVWKBHWTXXDO-DHDCSXOGSA-N 408.317 5.302 10 40 HKCB CCc1ccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)cc1 3090496 SXXWMEMZHPQJGN-YBEGLDIGSA-N 423.390 5.827 10 40 HKCB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2O)N3)C1 4554554 XMUNLYUKWSIBTM-HXPMCKFVSA-N 400.544 5.432 10 40 HKCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S 8870005 ZYMLWWMICRIUKP-OVCLIPMQSA-N 423.346 5.077 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)o2)cc1 59137816 OCPSTDMQEQQLMF-QGOAFFKASA-N 420.515 5.411 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)c(C)c1 208194063 WBQWVSAENSMIKC-VYZAVGSRSA-N 419.594 6.108 10 40 HKCB O=C(Cc1ccccc1)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408977380 VRTTZEVMUKVHDO-UHFFFAOYSA-N 414.464 6.238 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)SC2=S)cc1 409330384 LQUIYKSBQVIFQX-KGENOOAVSA-N 421.543 5.653 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 4151434 MZPRADALSUCTGP-RLFYNMQTSA-N 401.260 5.192 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccccc4)c3)S2)c(C)c1 6331113 GKFPJQYJDYDUEB-HZHRSRAPSA-N 414.530 5.965 10 40 HKCB Cc1cc(/C=C2\N=C3CCCCCN3C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 8166339 WXLJFFOOAIQFJA-UNOMPAQXSA-N 401.432 5.269 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)SC2=S)cc1C 9232297 GXDPPGGANUGULK-CPNJWEJPSA-N 423.584 6.453 10 40 HKCB Cc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4ccccc4)=NC3=O)c2)cc1 13039622 RYLKXXWEQWFHMJ-QNGOZBTKSA-N 413.502 5.330 10 40 HKCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Cl 20032210 MKKLAJKGUIKZOP-HRIUQOHOSA-N 409.898 5.004 10 40 HKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCC1 20681232 MTWZOMYMUFGQCP-WOIUINJBSA-N 423.354 5.512 10 40 HKCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c1 100263922 OPGSUMAUQBJQEG-QGOAFFKASA-N 420.852 5.193 10 40 HKCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 101125389 UKAILOGTVDDCOO-LFIBNONCSA-N 412.902 5.067 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1ccccc1 224186752 MSQVWRRRZASPCC-DNQXCXABSA-N 410.546 5.358 10 40 HKCB CCOc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 408738615 MLTKFRQVYJSZRU-HMMYKYKNSA-N 412.445 5.465 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2[C@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4321189 SFQKUKBSPUOLCV-NLJOHPHHSA-N 420.512 6.642 10 40 HKCB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4662670 RLJAVNUTMIAJFQ-UYRXBGFRSA-N 406.840 6.039 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 13389146 FVAPGMNLQMHFFK-PJIJBLCYSA-N 401.260 5.192 10 40 HKCB Cc1cc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)ncc1Br 46085518 DJXPGFHLNUJLBU-IBGZPJMESA-N 421.298 5.003 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc21 208473895 KMPMFKJHFPZUGK-UDWIEESQSA-N 405.929 5.778 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Br)cc3)cc2)C1 217869355 GRBQPAMRAXBMKU-HZPDHXFCSA-N 401.348 5.176 10 40 HKCB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 222855117 BUACPAFHNVOKHA-MOPGFXCFSA-N 414.977 5.529 10 40 HKCB COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736020 ABKZAXUSUJUIQI-SWYRRKHMSA-N 401.481 6.240 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408764165 SDFNYVXYRLVOGW-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1 408843269 RGRANMUMPXOSID-KGENOOAVSA-N 407.300 6.136 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(C)C 409346109 NHXNZMSPRJXTIL-MOSHPQCFSA-N 413.564 5.587 10 40 HKCB Cc1c(Cl)cccc1-c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)o1 5724480 REFDYMVJLKFPBF-GZTJUZNOSA-N 413.260 5.023 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 27548023 JHFJGDAOSRURMT-HAHDFKILSA-N 403.522 5.694 10 40 HKCB CC(C)(C)n1cccc1/C=C1\C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O 32121171 GXRDYTBLDYXOGJ-BENRWUELSA-N 422.337 5.222 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S 59417898 YCSBLYPFMNKIRU-MHWRWJLKSA-N 422.369 5.629 10 40 HKCB Cc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1-c1ccc(OC(F)F)cc1 70453948 MWQPMFGCJGNQPF-UHFFFAOYSA-N 405.448 6.385 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccccc1Cl 98087318 HPGRDASDRANFGR-FLIBITNWSA-N 415.107 6.019 10 40 HKCB CN(C)c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(Cl)c1 103631448 IEZFPTLHOMGZDI-BYYHNAKLSA-N 401.901 6.879 10 40 HKCB CN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c2ccccc21 409197903 RQNZORDYHGTEAZ-YZSQISJMSA-N 414.508 6.360 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)nc1 409213648 QDHXQWZDHMIASM-VXLYETTFSA-N 423.925 5.692 10 40 HKCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(Br)c(Cl)c1 409345146 JYVVBALDUASUDR-KPKJPENVSA-N 416.774 5.570 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2cccs2)SC1=S 8615406 IARZUOKHXXVXTN-TVNWYLLRSA-N 421.568 6.153 10 40 HKCB N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 32109444 KLEPPNCKIRCKCV-SLWLXCFBSA-N 404.495 5.146 10 40 HKCB O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1 55392753 OGSXRAQJSNLIAK-MNXDUIDKSA-N 420.874 5.262 10 40 HKCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3F)N4)sc2c1 58851108 UMPDLJICPKGYLB-FUMQJTLXSA-N 412.533 7.237 10 40 HKCB CCn1c(Cl)nc2cc(C(=O)N(C)Cc3cc(C)n(-c4ccccc4)c3C)ccc21 222563562 NZFDJRXWRPFYPS-UHFFFAOYSA-N 420.944 5.389 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)C1 225337461 FUVUMXBZNUVLRL-INIZCTEOSA-N 405.369 5.479 10 40 HKCB C[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCCC2)cc1 225663061 ZZDRGWIPODQTMS-OAHLLOKOSA-N 418.404 5.487 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 408847302 UVZSFBAQLFEQIY-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB COc1ccccc1NCc1c(O)c(Br)cc2oc3c(c12)CCCC3 2282955 XVHJKMYIFAATTP-UHFFFAOYSA-N 402.288 5.400 10 40 HKCB COc1ccccc1[C@@]1(CCNCc2ccc(N(C)C)cc2)CCO[C@H](C(C)C)C1 5370639 PXFJASQJVKMLPY-UIOOFZCWSA-N 410.602 5.014 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 6882850 VVTFMXGTHCBBGP-OBGWFSINSA-N 421.584 5.189 10 40 HKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 13801576 UMGIUYWHPCECDW-HMAPJEAMSA-N 416.452 5.219 10 40 HKCB C/C(=C1/SC(=S)N(Cc2ccccc2)C1=O)c1ccc(Br)cc1 1476350 HJXDRBIJSGUWNW-VBKFSLOCSA-N 404.354 5.241 10 40 HKCB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 409003306 RTQZDNSEFJRCGN-XJPNONJMSA-N 416.481 5.918 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4513290 SSWHUEHHYRFWSO-HYFFOGBASA-N 415.364 6.302 10 40 HKCB Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)O2)cc1 59425885 WJYVESLOOZGZQT-ATVHPVEESA-N 421.290 6.307 10 40 HKCB C/C(Nc1ccc(Cl)cc1Cl)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103920893 ZCIVOJMVZMIYQA-QNGOZBTKSA-N 422.315 6.130 10 40 HKCB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC1=S 409330381 LQJXKINWZUGFRM-KGENOOAVSA-N 405.544 5.640 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC 409346854 OOWDFSIMAXMQKY-BOPFTXTBSA-N 405.928 5.153 10 40 HKCB CCOP(=O)(OCC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 2252549 WTGARXGEOODGMF-LJQANCHMSA-N 407.407 5.038 10 40 HKCB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2O)cc1 2631589 ZUMOWGJFWRANJE-OAQYLSRUSA-N 423.310 5.230 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4131803 IXGVBQGFTCJTJG-UKFDBNNRSA-N 414.461 5.187 10 40 HKCB Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)NCc1ccccc1 5182744 WPEJXOJGQCXTRE-UHFFFAOYSA-N 414.505 5.009 10 40 HKCB O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 12466580 QSPFLYRRHVKOST-ZDLGFXPLSA-N 416.354 6.552 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S 32124805 JJCXUNVUGYSOLJ-GZTJUZNOSA-N 416.549 5.276 10 40 HKCB Cc1cc(C(=O)COc2ccc(Cl)c3c2C(=O)C[C@@H]3C)c(C)n1-c1ccccn1 48253071 WIBMUPGLQVKWOR-ZDUSSCGKSA-N 408.885 5.094 10 40 HKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208518104 UABWSNXTKHOAPG-HMAPJEAMSA-N 418.562 6.258 10 40 HKCB C1=C[C@H]2c3c4c5c(c6c3N(C[C@H]2C1)C[C@@H]1CC=C[C@@H]61)[C@H]1C=CC[C@H]1CN5C[C@@H]1CC=C[C@@H]41 408731045 IMIXCJGIPPIHNN-SQSLRXIWSA-N 420.600 5.993 10 40 HKCB CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 585151864 YSERVZBDVUTNHQ-HKWRFOASSA-N 414.461 5.477 10 40 HKCB Cn1c(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc2ccccc21 5374365 BSTHZKXTPHKNPZ-MHWRWJLKSA-N 402.306 5.568 10 40 HKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 38232080 MEGRPEKIKXYLHA-LGUFXXKBSA-N 424.499 7.641 10 40 HKCB C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 225360873 KQVXARYYIURQBQ-SJORKVTESA-N 419.396 6.040 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486867 VPQWFAYSCJGCNW-CVDCTZTESA-N 421.884 5.082 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260624880 WCIYSNIEFKPJSW-HCYUJWNOSA-N 408.586 5.575 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1 408754619 KYTIJQZXXREQTF-KGENOOAVSA-N 407.300 6.136 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Cl)c1 408845833 RXNMMUBJBRGCLA-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB Cc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1C 2058750 DUMLYCNLIWSTJA-HMAPJEAMSA-N 416.904 6.517 10 40 HKCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 3672682 JHSGVPOOQRBCIT-UHFFFAOYSA-N 414.299 5.323 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 4728029 UPZQBMUNPBQUAC-IIYDPXPESA-N 404.691 5.627 10 40 HKCB COc1ccc(N(Cc2ccccc2O)C(=O)Oc2cc(C)ccc2C(C)C)cc1 5698251 GSNYOTDGTCFOQS-UHFFFAOYSA-N 405.494 6.038 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 6241478 FGLAMWYJYRUOOO-GSLIJJQTSA-N 406.570 5.041 10 40 HKCB biogenic O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 27515451 FOLJNTIADWOFLO-SFQUDFHCSA-N 417.328 5.165 10 40 HKCB Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1Cl 58851281 WAMPGXPETARLOK-KEYDSSBGSA-N 419.566 7.780 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260777672 QHGRVZVSWPJEFD-PUZWTLIVSA-N 416.594 5.695 10 40 HKCB COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736469 UZFIZYNQEWHPFA-SWYRRKHMSA-N 417.936 6.754 10 40 HKCB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(Cl)c1)CO3 2112703 SCHMCSRDKJYBQN-UHFFFAOYSA-N 413.901 5.463 10 40 HKCB biogenic Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 6963515 PZQJZNKBJDNAGV-PPJWLVRDSA-N 401.550 7.253 10 40 HKCB CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 19791528 IWQVPJNULWXZLT-UHFFFAOYSA-N 413.945 6.221 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)c(N4CCCC4)cc3C)N21 260777722 QOEFDZRLXYXSLJ-LEOXJPRUSA-N 406.599 5.278 10 40 HKCB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260836951 BUVYZHDFVFTAOP-HKBOAZHASA-N 420.597 5.446 10 40 HKCB CCOc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O 4553686 QILDMOSYIDWIOE-RNODOKPDSA-N 414.571 5.822 10 40 HKCB COc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 4959485 NUAVAFAHUHNVNE-IQUTYRLHSA-N 403.263 5.126 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Br)SC1=S 9188697 XCMSNWWXEISGMX-COOUDCDJSA-N 404.354 5.412 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1 12420478 UYZWLWSQCVGJEF-GXDHUFHOSA-N 423.808 5.498 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccccc3C)c2)SC1=S 33430119 ZHQGPGSZEPBAMF-HKWRFOASSA-N 413.564 5.064 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 219292066 HNRMKWZGYWHOHV-FGTMMUONSA-N 400.950 5.221 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219302389 CCKLCVPFFHQWAQ-FGZHOGPDSA-N 408.586 5.493 10 40 HKCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222616714 CYZDHNOBEKYHNU-FNVCAUGXSA-N 418.566 5.087 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c(C)c1 408901561 GKGWLBTZOKLGKU-HYARGMPZSA-N 418.587 6.117 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408902949 SOLZQYMDXMWEPU-LDADJPATSA-N 407.813 5.314 10 40 HKCB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)C(C(F)(F)F)=NN1c1ccccc1 408969567 QDXIAOAFZMNJPA-LGMDPLHJSA-N 414.408 5.779 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1 5174118 CUKDMYHXBNLVLU-JJIBRWJFSA-N 403.481 6.320 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 6865659 ZEPVIENVLVVLIO-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Br)c2)o1 17123324 WPCPAFKAGCJQKS-UYRXBGFRSA-N 407.267 5.515 10 40 HKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408985808 NJKUFHZXBQWHBV-DEDYPNTBSA-N 420.339 7.082 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCC)cc1 409002339 TYOQGILRYUHANX-ZHZULCJRSA-N 411.885 5.006 10 40 HKCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409192619 CWSNNFCLPBSIKA-XSFVSMFZSA-N 412.942 5.880 10 40 HKCB Cc1ccc(Sc2cc(NS(=O)(=O)c3ccccc3)c3ccccc3c2O)cc1 645675 HSGUQPDMBOLILV-UHFFFAOYSA-N 421.543 5.806 10 40 HKCB CN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 2055972 SPOGOSMNNVLAQE-ICFOKQHNSA-N 404.969 5.112 10 40 HKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 2696907 BLMVCOIRBAKPBI-ZHZULCJRSA-N 419.575 5.459 10 40 HKCB Brc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@@H]21 7097125 OFURWXPYPOORIS-AXHZCLLHSA-N 402.335 6.943 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 8092242 CNVZCLZYBYIMIE-FTLABTOESA-N 408.712 6.260 10 40 HKCB COc1ccc(C(C)=O)cc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11607305 IEKRYWAQFYUZDG-NRFANRHFSA-N 422.550 5.233 10 40 HKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=N)N12 13217627 CVHDCXAJTGKCEN-GPXJOPDISA-N 412.518 5.414 10 40 HKCB Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@@H]31 16157561 FIVHFHLIFPNXEH-AFWPOZQOSA-N 422.341 6.483 10 40 HKCB C1=C[C@@H]2c3c4c5c(c6c3N(C[C@H]2C1)C[C@H]1CC=C[C@@H]61)[C@@H]1C=CC[C@H]1CN5C[C@@H]1CC=C[C@H]41 408731041 IMIXCJGIPPIHNN-OAKLKQKCSA-N 420.600 5.993 10 40 HKCB O=C1/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)SC(=S)N1c1ccccc1 408735190 LLPSABTTXFNVTF-TWGQILOBSA-N 417.515 6.213 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 12468541 KEYLFHQXPIDQEN-RKVPGOIHSA-N 402.263 5.201 10 40 HKCB Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(F)cc3)sc2nc1-c1ccccc1 13575504 PYCKVFFFZNNXAZ-UHFFFAOYSA-N 420.465 5.033 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1 20032218 SYTYUNODIGLLGR-HRIUQOHOSA-N 409.898 5.004 10 40 HKCB CCn1c2ccccc2c2cc(/N=N\c3cc4cc5ccccc5cc4cc3N)ccc21 104202906 LVWOHEWJKIJNAB-KTMFPKCZSA-N 414.512 8.118 10 40 HKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225668882 JAQGPVMOZJZOLG-HZPDHXFCSA-N 418.006 5.633 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 408781976 FAXOGOIHHKZIKU-MFUBYVTQSA-N 421.541 5.395 10 40 HKCB CCn1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 409036010 KWWLQHOZENIAGG-JYRVWZFOSA-N 419.353 5.163 10 40 HKCB CC(C)Oc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)c2ccccc2)cc1 1837220 JFEBMWHNQBIYJM-MHZLTWQESA-N 402.582 5.852 10 40 HKCB biogenic Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(O)=NC2=S)cc1 2244876 RONJOMHKNGWPKV-LTGZKZEYSA-N 419.550 5.047 10 40 HKCB O=C(Oc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4713408 PEHKJWRCAABCNX-UHFFFAOYSA-N 400.437 6.309 10 40 HKCB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3Cc3ccccc3)c2c1 5298335 WBCOSDZHEJLNMD-SDNWHVSQSA-N 407.473 5.105 10 40 HKCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 6272763 AOSYILFHMIJUHO-JWGURIENSA-N 403.478 5.094 10 40 HKCB Cc1cccc(NCN2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1 6998428 QDLXTRWWJPPIEU-DHDCSXOGSA-N 409.363 5.573 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 9188519 JJAWWRCDTXNNKA-AQTBWJFISA-N 402.972 5.592 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 40006104 SCOZOTWICWFNBL-ODLFYWEKSA-N 417.983 5.776 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)NCC2CCCCC2)cc1 100495118 FIWOJDHHIMLTPK-CYYJNZCTSA-N 422.529 5.021 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 113830698 VSDZEKLYWLQDJC-CJLVFECKSA-N 418.587 6.092 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 144220776 CFUXGVNNNHRBFC-JLPGSUDCSA-N 424.525 6.488 10 40 HKCB C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 218037252 AEDJOXVDGCHVLC-MSOLQXFVSA-N 417.018 5.687 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 222703385 KGUAIQNZUWTTKD-SXSPYAJSSA-N 417.582 5.172 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222871721 YKUKVXSQKCMIGS-PKTZIBPZSA-N 404.583 5.180 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409342697 GCEGJTLILRRLER-LDADJPATSA-N 403.500 5.029 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409345061 KAERUKUDAFHTSV-UYRXBGFRSA-N 415.605 5.993 10 40 HKCB COc1ccc(Nc2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2262518 IGIAZHPTSSFYLC-UHFFFAOYSA-N 411.461 5.392 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NCC[C@@H]3CCCN4CCCC[C@H]34)c2c1 5519369 RRPCHVOTWQFQCR-BXKMTCNYSA-N 423.988 6.117 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 101076803 DDEKIEWNLHPDSL-PLNGWDEDSA-N 412.489 5.692 10 40 HKCB COc1cc(/N=N/c2ccc(N)nc2N)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1 104229728 IFUWHSTUYLHHCN-MJPLYFDISA-N 422.405 5.002 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C 208238052 RGUQIRAHTJCWBO-RVZJCZPVSA-N 407.945 5.868 10 40 HKCB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219298799 NUWVMOBFSRQYOR-HKBOAZHASA-N 408.586 5.691 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3C)N21 222678506 MBESXRNGGBTBMQ-SXSPYAJSSA-N 406.599 5.360 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408769156 PAYLYECNWVLVQW-IGSWSUAKSA-N 421.541 5.395 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC 409339764 XZSDZIBVYUAEMV-MOSHPQCFSA-N 413.564 5.507 10 40 HKCB COc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)c2ccccc2OC)cc1 1830710 UISSSYMXNFAVAB-XMMPIXPASA-N 404.554 5.082 10 40 HKCB biogenic CCCCCCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 9089995 MCICTZOFGQJIBI-QNGOZBTKSA-N 407.514 5.285 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3Cl)cc2)CC1 218030075 PXVNQEPMWVDTLG-GOSISDBHSA-N 417.018 5.687 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222613210 OFUIIBVNOARHGU-VWMXVWASSA-N 416.594 5.641 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(ccc(C(=O)O)c2C)[C@@H]2C=CC[C@@H]21 408875939 IABUIYYQKUHTIK-QEEYODRMSA-N 414.299 5.291 10 40 HKCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O 9188826 XFECHPHXYMADSQ-QNGOZBTKSA-N 419.527 5.893 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 13662109 HMJZOWULXOKDED-PQNGQFLHSA-N 407.941 6.656 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 16678603 SYNWOZXBRRRMHU-UHFFFAOYSA-N 420.425 5.095 10 40 HKCB c1ccc2[nH]c(/N=N\c3cccc4c(/N=N\c5cc6ccccc6[nH]5)cccc34)cc2c1 104208637 OPYYZEZGTXAJEB-SZDCHMHBSA-N 414.472 8.633 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112291383 TWYBTPZAIZPSFU-MOSHPQCFSA-N 418.324 5.891 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1F 408986966 UASUMPRTIBOSAC-SFQUDFHCSA-N 410.275 6.604 10 40 HKCB Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)SC2=S)c1 4088718 RQFUNKQGLREZAC-ICFOKQHNSA-N 404.969 5.424 10 40 HKCB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219030054 CYZUHKYEIZNWBE-HKBOAZHASA-N 416.565 5.721 10 40 HKCB Cc1c(N2CCCC2)ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1Cl 222639010 SYRAEMHIQHAUTQ-DLPLYFIVSA-N 412.990 5.233 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 408756191 XXQZTMCPVPPUJC-QNGOZBTKSA-N 415.920 6.437 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409345522 JCIHTEXYGIMVNS-NPQOUYBPSA-N 412.580 5.336 10 40 HKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1 1254075 LRMXLCIWRIWOQM-RIYZIHGNSA-N 410.398 5.019 10 40 HKCB Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3Br)c(O)c2n1 2497722 IHCROUNMYVWTAS-OAQYLSRUSA-N 420.310 5.608 10 40 HKCB Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O 3844570 HANBGEPXBGFQRO-UHFFFAOYSA-N 405.020 5.292 10 40 HKCB biogenic Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 4321215 NGRNPJMUOOSRQA-RXWOYKEUSA-N 418.378 6.652 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 13618468 WYVIUUSDJGXVPJ-BOPFTXTBSA-N 405.928 5.153 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 33787640 PTTBTRDSQIXELV-QGOAFFKASA-N 403.956 5.925 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 214049760 LQXXMYDITHVIPR-FYJGNVAPSA-N 422.937 5.984 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC 409338463 KLKHMHUKDLEYSQ-WQRHYEAKSA-N 403.500 5.029 10 40 HKCB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(CC)C1=O 4048097 HBJHZLQRDYRFQY-OGLSOCIUSA-N 406.598 5.013 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1 5484339 DVAALLJALCBZIO-DGIAZZNKSA-N 419.554 5.068 10 40 HKCB Nc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1/N=N/c1cccc(Cl)c1 8453285 WNOPDUXGHQMKRN-ZQHSETAFSA-N 424.895 6.714 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccco1 10215356 LKGLOWHRKVOXEQ-JXFKEZNVSA-N 401.249 5.534 10 40 HKCB CCc1ccc(N2C[C@](O)(c3ccc(C4CCCCC4)cc3)[N+]3=C2SCCC3)cc1 27525097 QPABLKIOLIKHIB-SANMLTNESA-N 421.630 5.467 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC 60512736 VHTSZVVTAZKSDB-YVLHZVERSA-N 405.928 5.153 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112289517 JVKULLKMJFUDIG-UYRXBGFRSA-N 421.394 5.613 10 40 HKCB O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc2ccccc2c1 408977346 VNEXKISCIJNWNP-UHFFFAOYSA-N 400.437 6.309 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 409242099 LUSDZCZBELCJCK-XKZIYDEJSA-N 419.912 5.149 10 40 HKCB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(C)C1=O 409329994 IRCRNDVOUXGJMS-JMIUGGIZSA-N 413.608 5.384 10 40 HKCB CN1/C(=C/C=C/c2cc(C(C)(C)C)cc(C(C)(C)C)[n+]2C)C(C)(C)c2ccccc21 685944458 OJJLFMDYWTTZHW-UHFFFAOYSA-N 403.634 6.431 10 40 HKCB CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)ccc1O 1631689 MAHWWRJECIXNCN-UHFFFAOYSA-N 410.521 6.160 10 40 HKCB Cc1cc(C(=O)COc2ccc(NC(=O)c3ccco3)cc2)c(C)n1-c1ccccc1 6651461 ARECCQJADMMMER-UHFFFAOYSA-N 414.461 5.201 10 40 HKCB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1ccc(NC2CCOCC2)cc1 58265974 HNMMOJVKAKFQIO-UHFFFAOYSA-N 415.799 5.602 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1 222917081 GOMRKTPBKPDDSO-DHIUTWEWSA-N 404.583 5.118 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C 223540825 USYXBNNGGAIXAV-JHDSZEHQSA-N 421.516 5.031 10 40 HKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1C1CCCCC1 9189193 ZKOAYNQAVSYRPU-QNGOZBTKSA-N 409.576 5.800 10 40 HKCB CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 13601373 UFKLFJXGPQBDTQ-QJOMJCCJSA-N 409.485 5.643 10 40 HKCB CSc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 95476812 BSULJHGUIVPTJW-UHFFFAOYSA-N 421.478 5.417 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 222695274 VFFHWMXHQHWWAO-VEXUSMLFSA-N 416.594 5.777 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222917478 XXJMYLKUHLRPLO-BJKOFHAPSA-N 418.610 5.426 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Cl)c1 408754594 RJJNWOUBSOPONX-KGENOOAVSA-N 416.864 5.181 10 40 HKCB Brc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1 6971324 KLYFCRCTRIKBNK-ZQIUZPCESA-N 405.133 6.038 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1CCOc1ccccc1 13547160 QBEKRKZVKCXRGR-XLNRJJMWSA-N 417.555 5.634 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 13785589 NJNWBYGRQCXUMN-ZHZULCJRSA-N 424.591 5.232 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 13943693 CAPHVYVUXFWNST-WQRHYEAKSA-N 419.955 5.149 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C)c1 15229507 ACOYDVICKLLXEB-WPJXZCFSSA-N 416.352 7.249 10 40 HKCB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(/N=N\c2ccccc2)cc1 100233843 YMWYYOFWBGBSJU-IZHYLOQSSA-N 400.265 6.426 10 40 HKCB COc1ccc2nc(N/C=C3\C(=O)N(c4cccc5ccccc45)N=C3C)sc2c1 100552389 JBIFDZPKKXSDGR-AQTBWJFISA-N 414.490 5.177 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 103919209 XRXDMWKDDGMTKF-ZHZULCJRSA-N 406.511 5.194 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208257226 GXDFCPJTURCUOL-UWOKGBPVSA-N 423.944 5.155 10 40 HKCB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219292128 HNRMKWZGYWHOHV-SQNIBIBYSA-N 400.950 5.221 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1F 222613567 KAYMOCMSAMCTPE-UZQPLGKSSA-N 406.530 5.218 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222789888 USOFNEVFOAFHNJ-FYYLOGMGSA-N 404.583 5.098 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)cc21 222907503 VBWPSUMULGCJGI-DHIUTWEWSA-N 420.626 5.342 10 40 HKCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 224170307 VASJVZNXTWZASI-UXHICEINSA-N 406.570 5.200 10 40 HKCB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCCC2)cc1 225696524 PKWFHAIEXGOZDD-SFHVURJKSA-N 409.599 5.656 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 408744551 YMLBJABITJZKJM-XSFVSMFZSA-N 402.421 5.395 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccccc2)c1 408760323 WRFUZYMEUDEWIL-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl 409018431 MAXOSPPIIBPHLG-CAOOACKPSA-N 409.338 5.846 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc(Br)c1 409022113 JPDOTFXQZOWSIG-RQZCQDPDSA-N 419.344 5.301 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)N=C2c2ccccc2)cc1 5953624 MXEBPLOOHGFBEN-CJLVFECKSA-N 402.881 5.573 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 8101633 OEGUCIMKOUDTTM-DEYYWGMASA-N 407.819 5.972 10 40 HKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1 9188536 JGBYYALRORCQHZ-STZFKDTASA-N 421.518 5.811 10 40 HKCB Oc1ccc2c(oc3c(-c4ccccc4)c4c(O)nn(C5CCCCC5)c4nc32)c1O 95477041 HLFMQMHIGBTEQW-UHFFFAOYSA-N 415.449 5.620 10 40 HKCB CC(=O)Nc1ccc(/N=N/c2ccc(/[N+]([O-])=N\c3ccc(NC(C)=O)cc3)cc2)cc1 100368344 BRIVSOJUIFMMLK-PAMTUDGESA-N 416.441 5.945 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 103917057 MWWSXWZDHHUGST-YVLHZVERSA-N 417.321 5.712 10 40 HKCB O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 222691343 TWFJBPJVSIDJQX-UHFFFAOYSA-N 402.991 5.519 10 40 HKCB O=C(Nc1ccccc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408734798 DWZFSWLEFWEEAI-UHFFFAOYSA-N 414.468 6.733 10 40 HKCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 408984134 HZYJBDXENYRZRE-JLPGSUDCSA-N 420.468 5.222 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408984521 HWPGUSVYLKJGDU-PTGBLXJZSA-N 413.948 7.154 10 40 HKCB CC(C)Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409134897 ORAPQGPNXWWWEV-JMIUGGIZSA-N 407.564 5.094 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 34260123 ZJKYODSNTYKPGS-MPZUNYIRSA-N 419.554 5.130 10 40 HKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccccc1F 38206514 KYZHZCBSURDUNW-HMAPJEAMSA-N 415.514 6.538 10 40 HKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1ccccc1 223120814 IMGYNFCXENWGAN-RPWUZVMVSA-N 416.594 5.486 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCCOc3ccc(Cl)cc3)cc2)C1 260455490 XEZOBACVUZBZNC-OALUTQOASA-N 414.977 5.613 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408762954 MAZKKKDWPIMYJZ-PXLXIMEGSA-N 419.887 5.380 10 40 HKCB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 5538522 ZVFCHSYMRKYHBU-UHFFFAOYSA-N 413.926 5.297 10 40 HKCB CCN1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223538925 GEJDGYNSGOCFOI-AKGOGDBKSA-N 422.619 6.205 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 7097183 UTSYBTNUMCOWEQ-XLNZFTOWSA-N 402.881 6.742 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Nc1nc2ccccc2s1 9914682 LIJSKYYDQWFNEZ-ZROIWOOFSA-N 403.941 5.178 10 40 HKCB C[C@H]1N(C)c2ccc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C 12524070 HKHFYQJRLZEXCN-BCHFMIIMSA-N 408.545 6.019 10 40 HKCB CCOc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F 97990660 HHTFQQQHZHEBPW-GZTJUZNOSA-N 404.438 5.078 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1OCC 103919002 AZAKSEXKTAFEAM-QNGOZBTKSA-N 420.538 5.584 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219611589 QYPORUBECOJKEB-PNCHPQGNSA-N 414.977 5.611 10 40 HKCB C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 225607403 OZYWRWLXMDCDHW-UXHICEINSA-N 406.570 5.058 10 40 HKCB COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408868085 LHWPDOXGBHJCSM-XFQAVAEZSA-N 414.343 5.910 10 40 HKCB COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408986348 PVLYXRAEBZVSHK-QGOAFFKASA-N 422.311 6.473 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 218940578 KRXHOGWTGSCIJL-GOSISDBHSA-N 400.950 5.141 10 40 HKCB Cc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc3c(c2)OCO3)o1 4597433 ASFLZHSCIZRVPS-UHFFFAOYSA-N 412.243 5.138 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 9188500 ILIPXJBRFMOYPM-JWGURIENSA-N 417.555 6.158 10 40 HKCB Clc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(Cl)cn23)cc1 9289118 BNWNUAAZVXHHCO-UHFFFAOYSA-N 423.097 6.407 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc2ccccc12 12413444 CLULFDHSDOJNRT-JLPGSUDCSA-N 411.501 5.724 10 40 HKCB Cc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)c1ccccc1C3=O)[C@@H](C)C[C@H]2C 41107697 JTSKATXJHQUZCP-SJORKVTESA-N 409.485 5.313 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222745661 ODYBQIRQJAUGBG-RTWAWAEBSA-N 410.974 5.053 10 40 HKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408736092 DYSHKGLCJINYLB-YIGJPRQDSA-N 402.335 6.527 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 409158793 LUAHFXPNLUDLMM-VBHSOAQHSA-N 401.260 5.192 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 5516061 ZJKYODSNTYKPGS-DGIAZZNKSA-N 419.554 5.130 10 40 HKCB S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCC1 6243952 IKTUQRDNQORGLA-UHFFFAOYSA-N 408.530 5.882 10 40 HKCB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218612441 DZNBYVSKCQXRNN-YADHBBJMSA-N 419.613 5.400 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 222695014 SPRDVBHKQUYMIL-VEXUSMLFSA-N 416.594 5.777 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)cc1 408759234 AGAIJHUGXMMURR-UDWIEESQSA-N 416.864 5.212 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409000197 XOSBJYSMFVTVDV-YVLHZVERSA-N 416.304 5.487 10 40 HKCB CC(C)CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 585151862 STMKAKGNQXWOIU-QNGOZBTKSA-N 414.461 5.477 10 40 HKCB COc1cc(N2N=C(C)/C(=C/Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1Cl 5955618 WSEFPDLXJXHBJD-LCYFTJDESA-N 410.688 5.374 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 6241519 FGLAMWYJYRUOOO-MZKUHISZSA-N 406.570 5.041 10 40 HKCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1 13940518 XCLMRPWCWJRINN-JCMHNJIXSA-N 402.881 5.725 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc(OC)c1OC 16184228 PRBHSELHBJUJMW-KEBDBYFISA-N 402.446 5.155 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S 59167715 HZLBUQQZURVEOT-BOPFTXTBSA-N 419.955 5.149 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N12 103563500 MOMZRWCSQPMYTR-NJOZZACWSA-N 409.898 5.086 10 40 HKCB S=C(Nc1ccccc1)Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2)s1 104113164 OBWUJDJNCSAJII-CYYJNZCTSA-N 415.547 7.034 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 408846549 SWDMTLNBNXLDBV-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 12032589 VHLAUQSHFAWTLK-MZLJFPOFSA-N 424.330 5.021 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 15218597 PLBLHQIQVLEBNH-PNCHPQGNSA-N 403.884 6.537 10 40 HKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 33706993 RJURKBGWZURWAP-UDWIEESQSA-N 410.539 5.440 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 35415899 DNPKSKJFPIKADE-LBTNJELSSA-N 418.718 5.716 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 219864740 NQXGLBANFGZTMA-YADHBBJMSA-N 419.613 5.325 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222827111 ZXETZVDOVAQBIT-PKTZIBPZSA-N 404.583 5.178 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccc(Cl)cc3)cc2)C1 260455491 XEZOBACVUZBZNC-RBUKOAKNSA-N 414.977 5.613 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1 408602447 NYWKIEFFTLOSCM-ODLFYWEKSA-N 413.470 5.939 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 408783053 JPNYOTWZEBWBOL-PXLXIMEGSA-N 410.473 5.991 10 40 HKCB O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccnc1 408974686 GSEYURZDOAHMCU-UHFFFAOYSA-N 401.425 5.704 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 409164942 PZQJZNKBJDNAGV-JQYIIUTOSA-N 401.550 7.253 10 40 HKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 871835 JOKJMQHCVVMSMH-UVARLRKDSA-N 400.272 5.013 10 40 HKCB O=[N+]([O-])c1cccc([C@H]2[C@@H]3CC=C[C@@H]3c3cc([N+](=O)[O-])cc4c3N2C[C@H]2CC=C[C@H]42)c1 4457759 CSBBIUMQTYQSLT-UKFDBNNRSA-N 415.449 5.397 10 40 HKCB CN(C)c1ccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 5549658 NQVSALXMASODGJ-CTCZGSPCSA-N 401.554 5.414 10 40 HKCB CC1CCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)coc23)CC1 20192424 ATCMOHWSWARZAW-UHFFFAOYSA-N 406.507 5.007 10 40 HKCB biogenic O=[N+]([O-])c1cc(Br)c(/N=N\c2ccc(O)cc2)c(Br)c1 104081561 NLDRBKFCMSXIMY-NXVVXOECSA-N 401.014 5.241 10 40 HKCB CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 226870312 LOAPUCDWDTUTHQ-UWVAXJGDSA-N 417.290 5.516 10 40 HKCB Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCCC4)OC3=O)c2c1 408769174 LNVVQFGKMNGOBI-UHFFFAOYSA-N 415.489 5.596 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc2ccccc12 408976373 FLVLJBXFKZYXGV-STZFKDTASA-N 403.865 5.370 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(Cl)cc3)c(N)n2n1 2384367 DWZNDEQOZKHFBQ-UHFFFAOYSA-N 419.941 5.768 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 12652757 ATKBNSXCEOASEW-AUWJEWJLSA-N 418.729 6.192 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)cc1 13615552 CYIWVPWUCPMPAJ-GRDNDAEWSA-N 418.234 5.026 10 40 HKCB Oc1ccccc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 19319445 RHMQAAFHGZAFPU-UHFFFAOYSA-N 413.348 5.716 10 40 HKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccc(Cl)cc1 222588817 MCQILKKTWIFFSG-RVHYNSKXSA-N 408.958 5.423 10 40 HKCB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 225378021 IVQNXWOXRXYWHQ-INIZCTEOSA-N 405.369 5.794 10 40 HKCB CC(=O)Nc1ccc(N=Nc2ccc([N+](=O)Nc3ccc(NC(C)=O)cc3)cc2)cc1 367626759 FWZKOEGTYOIMRA-UHFFFAOYSA-O 417.449 5.456 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1 408937120 ICJABNPERLTONW-KGENOOAVSA-N 402.881 5.725 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 409156290 RSKCYQDLZYNWOI-QEEYODRMSA-N 404.735 6.246 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1Cc1cccnc1 3178278 HZFDGQHSWHTFCD-UHFFFAOYSA-N 410.566 5.981 10 40 HKCB CCc1ccc(N2N=C(C)/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)cc1 4657289 FJTZUHZJTDQPAS-PXLXIMEGSA-N 406.526 5.489 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 6273090 IUYYIXGNVRAYOI-CXUHLZMHSA-N 409.363 5.465 10 40 HKCB C/C(Nc1ccc(Cl)cc1C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17082301 QWPLNKGFTCXWFD-XLNRJJMWSA-N 401.897 5.785 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1 20244071 USTVAUXVDPVHMZ-OVVQPSECSA-N 418.496 6.225 10 40 HKCB COc1ccccc1/N=N\c1c(-c2ccccc2)nn(C(N)=S)c1-c1ccccc1 104115298 AEQJWPYADAYAEW-QPLCGJKRSA-N 413.506 5.733 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 408719026 GDMAKFSSAPDCAX-MHWRWJLKSA-N 419.369 5.028 10 40 HKCB O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 2185000 DZMGJUGSAKLKNB-SANMLTNESA-N 421.525 5.238 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 6203163 UBHDAJDTSGWOHF-YNUQAMOLSA-N 419.554 5.076 10 40 HKCB O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21)N1CCCC1 8854673 UNOROEPJHJHSTA-WAOWUJCRSA-N 423.354 5.512 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OCC)c1 13785096 RCTMBKJJYVESQE-WQRHYEAKSA-N 403.500 5.029 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 13799171 JREFVTUOPYUWED-UYRXBGFRSA-N 424.591 5.150 10 40 HKCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 13880869 RUPWORKYOYIOPC-ODLFYWEKSA-N 423.421 5.020 10 40 HKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 33939376 CWUFXCKJNYHASP-LFIBNONCSA-N 404.354 5.417 10 40 HKCB CCN(CC)c1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 57209329 XFVOSKATXDUXTO-PJCCXHTNSA-N 400.522 5.902 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S 59418259 RQUJGPWHLSLSBI-XDHOZWIPSA-N 417.527 5.025 10 40 HKCB CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 113834907 YZEXLVBSSRKSNQ-FKKWJZCKSA-N 400.956 5.368 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccccc3Cl)cc2)CC1 218030172 PXVNQEPMWVDTLG-SFHVURJKSA-N 417.018 5.687 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260800797 XMYFZVHSFLBGFI-LEWJYISDSA-N 408.586 5.438 10 40 HKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2 408736088 DUIQAURDJDIKCA-ALTZYDRJSA-N 421.515 7.384 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2cccc(C)c2)cc1 408757597 ARYOARBGKMKKNX-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB O=C(O)c1ccc(-c2ccc(/N=N/c3ccc(-c4ccc(C(=O)O)cc4)cc3)cc2)cc1 27468746 QODCKSFTCDHBIO-BYYHNAKLSA-N 422.440 6.832 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 222718806 SLZCTUGUTCGWQA-MQNAVGNWSA-N 418.566 5.169 10 40 HKCB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 223027149 AJQSOKMZALOIEA-JOCHJYFZSA-N 400.950 5.113 10 40 HKCB CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 408950356 SDRPOAODXIATRK-UHFFFAOYSA-N 414.299 5.323 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 9188813 QYDKTANITVNOLD-ZHZULCJRSA-N 423.946 6.538 10 40 HKCB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 10620754 SCGPRLCHDRUCHI-OCOZRVBESA-N 407.495 5.046 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 13774485 REMYWQVJWSXDCH-JCMHNJIXSA-N 402.881 5.725 10 40 HKCB COc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 35045586 QNEQKOVGPJCZAG-ZSOIEALJSA-N 413.713 5.738 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 144210628 SBOSFCTWIKSALF-HMAPJEAMSA-N 402.519 5.952 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260753067 BCYIWDLIGMDTMR-PUZWTLIVSA-N 416.594 5.695 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 408762576 DZSKJZUZAWYLFI-LDADJPATSA-N 411.230 5.016 10 40 HKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C 408903275 WVKCHEUCCOPCLY-PXLXIMEGSA-N 416.546 6.206 10 40 HKCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 408943497 HQGBKRNWERQBON-UHFFFAOYSA-N 423.818 5.842 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)cc1OC 409052468 HVGCCTBVLKOPPJ-NDENLUEZSA-N 413.564 5.112 10 40 HKCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409135136 USVWPZOKBVRPOC-XSFVSMFZSA-N 412.555 5.074 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 409348524 OCUAGEBEVIBFIM-VBEHJTROSA-N 403.956 5.923 10 40 HKCB O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12 16544879 FGBNBRHEEHLBIU-CUQLSPFUSA-N 408.460 5.303 10 40 HKCB COc1ccc(CCNC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 17094179 AQWZOXNQIVDXMU-UHFFFAOYSA-N 424.953 5.109 10 40 HKCB O=C(O/C(=C(/N=N/c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 18178653 CRYAIAGXVMJABY-NKOIKLBZSA-N 404.469 7.153 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408851193 JNKVUCRPVRUSTE-XSFVSMFZSA-N 406.283 5.046 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 409150493 BZTZVRMQBZZXLI-RLFDGXBXSA-N 405.679 5.837 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409332386 QLNYFQXYSFOBTQ-XDHOZWIPSA-N 417.527 5.419 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)SC2=S)cc1Cl 409338230 GDYLGHBOSUHNRP-VIZOYTHASA-N 412.319 5.113 10 40 HKCB CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2252846 NDAYTWYSEQCVDV-MHWRWJLKSA-N 408.470 5.177 10 40 HKCB CCN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2cc(C)ccc21 4497937 BIHHWKIJTGGJHP-YUQALFBESA-N 410.589 5.717 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc(Cl)c1 40844776 NEAVZOXVSKEKMF-NSIKDUERSA-N 400.739 6.053 10 40 HKCB CN1/C(=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)Sc2ccccc21 101262788 PVDGCCLDZJLRED-PEZBUJJGSA-N 424.494 5.481 10 40 HKCB C=CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccc(Cl)cc2)=NC1=O 108253412 DFSVBPMMJYDZFF-STZFKDTASA-N 420.921 6.140 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409349001 ULFQIIOWQROEKP-SXGWCWSVSA-N 420.899 5.053 10 40 HKCB CCc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)s1 654092 JHONNOOUDIFFAY-UHFFFAOYSA-N 418.543 5.059 10 40 HKCB CCCCN1C(C)=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C1C 3171997 GOKXWHIUMFGMMC-UHFFFAOYSA-N 401.599 6.544 10 40 HKCB Oc1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19323992 NYXUSCSSPZGJAX-UHFFFAOYSA-N 413.348 5.716 10 40 HKCB CCOC(=O)c1c(C)oc2c1c(CN1CCc3ccccc3C1)c(O)c1ccccc12 19864001 VAXADGNCVQLABU-UHFFFAOYSA-N 415.489 5.335 10 40 HKCB Cc1ccccc1N1C[C@@](O)(c2ccc(C3CCCCC3)cc2)[N+]2=C1SCCC2 27525026 YRGQECUUQQNXPN-RUZDIDTESA-N 407.603 5.213 10 40 HKCB CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 33436771 BLWNLZCVGXIRRS-PGMHBOJBSA-N 402.544 5.860 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1C 222833773 CXTGZUXRZXSNMG-RPWUZVMVSA-N 418.610 5.487 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ncccc4C)c3C)N21 260786333 WEOKKAXNFPVBRL-QIJUGHKUSA-N 417.582 5.172 10 40 HKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1C 408757875 RELQANORQIYHBA-XYGWBWBKSA-N 420.516 5.757 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@@H](O)COc1ccc(Cl)cc1 1585936 ZVZBGRKGPQPQNH-GOSISDBHSA-N 416.304 5.076 10 40 HKCB OC1=N[C@@H](c2cc(Br)ccc2O)Nc2scc(-c3ccccc3)c21 4571779 YOMALIALVUXGNV-MRXNPFEDSA-N 401.285 5.312 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4852956 FFCHPLAHVHEEJE-BXWFABGCSA-N 415.287 5.583 10 40 HKCB CCOc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC 4893412 DHMXTJYYOBQBHT-SXGWCWSVSA-N 415.283 5.146 10 40 HKCB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216008 SCMJVIXUSKAJOR-XXBNENTESA-N 421.884 5.082 10 40 HKCB CSc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 15011648 ZIVFQGDXVIXGHL-OQLLNIDSSA-N 411.495 5.833 10 40 HKCB C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)C1 20412397 CEJHQXJNVXBZGW-AWEZNQCLSA-N 417.427 5.416 10 40 HKCB biogenic COc1cc(C2Nc3cccc4cccc(c34)N2)cc(Br)c1OC(F)F 70453955 ZNYQWTOGKNBIDJ-UHFFFAOYSA-N 421.241 5.749 10 40 HKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccccc1 113830712 CCWSXEGBVSYLMX-VGOFMYFVSA-N 411.291 5.307 10 40 HKCB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219321109 SVHRNBHJYBUNMA-AVRDEDQJSA-N 414.977 5.611 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 225655667 INPLPIHYWHKOEA-MRXNPFEDSA-N 421.532 5.989 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccsc3)Oc3ccc(Cl)cc3[C@H]2C1 248002566 RKFLGADYNUIFSK-XLIONFOSSA-N 417.317 6.003 10 40 HKCB Cc1c(C(=O)O)cccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408983875 DSLLYJRDQZQVGR-XMHGGMMESA-N 415.876 5.818 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)c1 409162634 GNJQTNSUXBTVGQ-PSVSLLHZSA-N 406.225 5.636 10 40 HKCB O=C(CCc1ccccc1)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 801103 SRLJNSQTNHJWPA-NRFANRHFSA-N 422.937 5.494 10 40 HKCB CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 4699122 CWGNKHXVQMCURJ-HZHRSRAPSA-N 412.485 5.954 10 40 HKCB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 6615554 UPMXILVBURLJMG-UHFFFAOYSA-N 417.892 5.665 10 40 HKCB CCCCCCc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@@H](C)C3)c2oc1=O 20266624 YTXMQFMTPUVPAO-OAHLLOKOSA-N 405.966 5.815 10 40 HKCB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)no3)ccc2O1 28286991 QJJZZDZNYCBQRR-AVGDDSQUSA-N 424.460 6.333 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222618339 KDWTULICNUSHJM-KUWBRRTOSA-N 416.594 5.695 10 40 HKCB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCCC1 222679536 CLHKZJCRXGRAEF-SXSPYAJSSA-N 422.598 5.060 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834738 QRUUIMSSCDAAKE-ZEQRLZLVSA-N 418.610 5.487 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1 225013733 NFXUOPQDHZGKCY-DNQXCXABSA-N 416.594 5.404 10 40 HKCB COc1ccc(OC)c(C2=C/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)c1 408721848 ALKSGGXKDJFIQM-ZHZULCJRSA-N 414.457 5.264 10 40 HKCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)c1 408763285 OVMYQSQJKSBSII-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OCC)c1 2312947 BRCJVWKXCBHUPB-HYTQYMIGSA-N 413.564 5.446 10 40 HKCB COc1cc(/N=N/c2ccc(Br)cc2)ccc1N1Cc2ccccc2C1 4774669 TWVFFLHSAFHEBJ-WCWDXBQESA-N 408.299 6.393 10 40 HKCB CCOC(=O)c1ccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)cc1 5009300 NYGYLOJPQOIXMZ-OAQYLSRUSA-N 404.491 5.380 10 40 HKCB O=C1/C(=C/c2ccc(SC3CCCCC3)o2)SC(=S)N1Cc1ccccc1 20238607 KBXPBPXCJSXRAJ-AQTBWJFISA-N 415.605 6.106 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 103917989 PAGRSSAQAHZQDL-XLNRJJMWSA-N 411.546 5.293 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2F)N1c1ccccc1 408849068 YPDPVSFMYCYJDN-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409161170 WZTOXFNPYVPJTK-SEDUGSJDSA-N 419.264 5.515 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 409170221 UFJNMVQIFMKMES-CPUCHLNUSA-N 405.679 5.837 10 40 HKCB O=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)cc1 2736417 BLYIZQKTXMNTEB-UHFFFAOYSA-N 400.912 5.418 10 40 HKCB CSc1nnc(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1 6039282 VDERYJWTTPDEFQ-UHFFFAOYSA-N 409.989 5.296 10 40 HKCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 35145300 DSYIVEXHZYVNOC-CYUIRQCWSA-N 416.930 5.608 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222790644 JHOBTVKCGVVUHL-LADGPHEKSA-N 418.610 5.407 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222964346 ZSTMKSZYOATOFM-XZOQPEGZSA-N 422.573 5.401 10 40 HKCB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1 223953752 BIDOTVBNHRTCAX-UHFFFAOYSA-N 417.582 5.220 10 40 HKCB Cc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)c(Br)c1 408967771 UQSXRFQTMHITBT-UHFFFAOYSA-N 405.133 6.286 10 40 HKCB CCSc1c(C(=O)Nc2cccc(C)c2)ccc2c1C(=O)c1ccccc1C2=O 4452088 ZLRKGIDJHLWRHU-UHFFFAOYSA-N 401.487 5.135 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c1 6971341 TVJLOTKNPXJXGH-XWCIJXRUSA-N 405.679 5.837 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(O)cc1 409189554 HTVBGCUTFVLJDX-UDWIEESQSA-N 424.909 5.694 10 40 HKCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1 409344276 ILSRPPMYQSIECY-CXUHLZMHSA-N 410.347 5.798 10 40 HKCB CCCCOc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2126118 RTHGPGONHRECNI-UHFFFAOYSA-N 419.521 5.516 10 40 HKCB biogenic O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1 2784016 IGKIJCTWCBTZEE-ZHZULCJRSA-N 423.946 6.538 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 4106803 UWYBUEVXJVDWBG-DEDYPNTBSA-N 412.942 5.485 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 5214048 RLSHEBYGPADMNR-MNDPQUGUSA-N 419.612 5.792 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c2ccccc2Cl)=NN1c1ccccc1 12368031 NVBOPDGVMHHYNE-FQEVSTJZSA-N 417.723 6.708 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(F)cc3)cc2)CC1 219262086 FHCLVUKEXAZGEQ-GOSISDBHSA-N 400.563 5.173 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)C1 260740052 SBEJAULOLGUWCS-JKSUJKDBSA-N 421.532 5.989 10 40 HKCB CCN(CC)c1ccc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1 408971098 MATGWBGBKVPVSL-AQTBWJFISA-N 424.953 6.054 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc2ccccc12 408987307 WEQDFOCUWWNVGT-OQKWZONESA-N 407.900 6.965 10 40 HKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 13547598 XHCLJNOCEOPFOZ-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 33330976 YSQOHPFAMZIPFB-MRVXSSNZSA-N 422.575 5.171 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 59418001 IHOCDZPPZYNHDG-QNGOZBTKSA-N 419.527 5.893 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222745712 ODYBQIRQJAUGBG-LEWJYISDSA-N 410.974 5.053 10 40 HKCB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222970525 LQYOJZCCCQWQCW-NHCICSSKSA-N 408.586 5.575 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 408762138 JIGMVKRLWQZUFQ-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1c1cccc(Cl)c1 409214811 ZBFGMPXVPRVPHQ-XDHOZWIPSA-N 416.905 5.710 10 40 HKCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 409332432 QOPLQJZENAAZFL-RQZCQDPDSA-N 424.374 6.186 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409350247 XCVXNQCMGMQWDI-XSFVSMFZSA-N 413.564 5.588 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 59417948 AMQIBAIMEVMJDT-OQLLNIDSSA-N 408.888 5.119 10 40 HKCB CC(C)Cc1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 85877056 CGAJEPIXKXMZPX-UHFFFAOYSA-N 423.513 5.519 10 40 HKCB biogenic CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219376951 AOUJVRNGHSQFHV-QPPBQGQZSA-N 408.586 5.575 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222612274 NYUZDYUEHVJEFI-JJEOQYAHSA-N 402.567 5.387 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1ccccc1 223120739 IMGYNFCXENWGAN-DNQXCXABSA-N 416.594 5.486 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408753823 KNCOXMHRAQSNCR-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S 409329086 CMJHMHUOMQLANJ-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1c1ccc(Br)cc1 6475368 FDPMIJVTHOGNQQ-QGZVFWFLSA-N 413.296 5.240 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 6951572 LUAHFXPNLUDLMM-JCGVRSQUSA-N 401.260 5.192 10 40 HKCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Br)cc1 6961529 LWIBYYSFVAIFDQ-FQEVSTJZSA-N 412.356 5.553 10 40 HKCB Cc1cccc(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 13896618 BNZQEYRWGMRXKZ-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 33782295 YANTUGXYKYQUBK-YIFJCWOOSA-N 419.554 5.130 10 40 HKCB N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 33923404 IOMORKXSGAVMCQ-ISFDWQSPSA-N 400.935 5.320 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 100104758 MLRLAWKJTIJIQE-LPYMAVHISA-N 420.871 5.864 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486836 FTZPGFNNZGFBAR-CVDCTZTESA-N 421.884 5.082 10 40 HKCB CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408983829 DFRQHZTVERIHMU-HEHNFIMWSA-N 413.948 7.109 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 409043371 YZBMNTCDBJRBSR-BOPFTXTBSA-N 405.629 5.844 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 409175794 VAEWKPNFAOVJIQ-HLIPFELVSA-N 400.335 6.712 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409342969 CCONFDNMKNCXAG-VCRXTVNUSA-N 415.605 5.992 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4852960 FFCHPLAHVHEEJE-FCEWJHQRSA-N 415.287 5.583 10 40 HKCB CN(C)c1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccc3ccccc3n2)cc1 5600596 VXGCXPGJKMBJHV-SANMLTNESA-N 420.516 5.223 10 40 HKCB Oc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 72332598 GUKHASSSDSURRJ-DENIHFKCSA-N 421.294 5.397 10 40 HKCB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218610626 QRULUJQEAMSRMI-RTWAWAEBSA-N 405.586 5.010 10 40 HKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225704299 GLTYJHCLTQXTJH-FQRUVTKNSA-N 420.597 5.591 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1c1cccc(Br)c1 408755313 JMWQFVCQDRDORY-DEDYPNTBSA-N 421.269 5.423 10 40 HKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C 408874995 HCASQSQIJOPGGA-XKZIYDEJSA-N 420.553 5.040 10 40 HKCB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409100739 WIWJYHBBPNFIIF-ONUIUJJFSA-N 422.553 6.846 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=S)cc1 409342413 DSECAEISVSWILU-ZHZULCJRSA-N 410.564 5.010 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccc(C)cc4)=NC3=O)cc2)cc1 6814205 COVLGZHSGXIBJA-HZHRSRAPSA-N 414.530 5.965 10 40 HKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccccc1 8193282 JFUFWBSGGUKRIU-SFHVURJKSA-N 417.534 5.431 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 8424880 HRFUIPSMDKAWJO-RENSKAHKSA-N 423.472 5.793 10 40 HKCB COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2cc(=O)n3ccsc3n2)cc1 10504888 APSZZXJMGZBCIE-UHFFFAOYSA-N 419.550 5.095 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 103917089 DKSUYVKAXNVEHN-YVLHZVERSA-N 417.321 5.712 10 40 HKCB COc1cccc(/C=C2\SC(=S)N(Cc3ccc(C)c(Cl)c3)C2=O)c1OC 2356665 UEOXKBLWMJLJPO-YVLHZVERSA-N 419.955 5.067 10 40 HKCB Cc1ccc(C(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2O)cc1 8453619 ZARZEFOJGOQNAS-UHFFFAOYSA-N 422.509 6.270 10 40 HKCB CC(/C=C1\SC(=S)N(c2ccccc2Br)C1=O)=C\c1ccccc1 8871605 BEAGQFUHGJHQMM-YMGXUNRSSA-N 416.365 5.801 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)ccc1O 13689424 CBQKRGNQVRROSO-WCSRMQSCSA-N 412.319 5.113 10 40 HKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 96193236 HXUGLULWSDRADW-UNOMPAQXSA-N 406.825 5.104 10 40 HKCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 100249898 LHCBKQMJZZLCBQ-WJDWOHSUSA-N 409.795 5.051 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260769096 KDWTULICNUSHJM-RVSNTGDXSA-N 416.594 5.695 10 40 HKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)cc1 408935931 FEYMZRAYQVEXMO-PCLIKHOPSA-N 424.500 5.324 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409345942 MESJTMGXJOVEFW-LDADJPATSA-N 414.508 5.180 10 40 HKCB Cc1cccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)c1 13575485 LVWITOHSKRIWEV-UHFFFAOYSA-N 416.502 5.202 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 103365580 LOAFBHNMJPEINV-SFQUDFHCSA-N 406.825 5.104 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218677149 IFKFNWJLHUFGQD-FGTMMUONSA-N 400.950 5.221 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1 408737540 CXMQNTJGFDJJSV-HMMYKYKNSA-N 416.318 6.229 10 40 HKCB Cc1ccc(Nc2cc(N3CCCC[C@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2306728 VUEGXMHPKFEYIO-QGZVFWFLSA-N 423.516 6.470 10 40 HKCB C[C@H](COc1ccccc1)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 41077647 QDAQXLCPSKNFBO-IXGURIBZSA-N 422.575 5.187 10 40 HKCB O=C(C(=O)c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12 96316056 RGNLSPSRLUJMCB-UHFFFAOYSA-N 410.472 7.365 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208195485 JOSCSZPAZOPLPJ-GQFJFNLSSA-N 409.530 5.630 10 40 HKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1 408759592 HPLGLDXNXDLJSN-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB O=C1N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 409069730 VWJFTNAFOWVNEO-KGENOOAVSA-N 417.896 5.191 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@H](C)N3CCCCC3)c2c1 4411118 ZOVSLDVNNYVHJF-KRWDZBQOSA-N 411.977 6.117 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408902140 KTNOUOLZKYLEFH-KGENOOAVSA-N 418.587 6.117 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc21 409206247 IQIJTNXDGRAHNE-UFFVCSGVSA-N 411.332 6.308 10 40 HKCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1cccc(C)c1 1179571 MJXOHVARUYJWBD-YVLHZVERSA-N 419.955 5.115 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 5082503 KAJOMFIHBWQVPB-BOPFTXTBSA-N 407.322 5.710 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(C)cc3C)C2=O)cc1 17088924 ZEPLAYJYZYYYNP-CLCOLTQESA-N 411.505 5.449 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21 58929375 WFJUBQUSIGATNH-FHSNZYRGSA-N 401.260 5.192 10 40 HKCB CN1/C(=C/c2cc[n+](CCCCCC(=O)O)c3ccccc23)Sc2ccccc21 73658845 NPGFQLTWJKVBDZ-UHFFFAOYSA-O 405.543 5.313 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208451147 GSRGSRGUHHAPFR-MTJSOVHGSA-N 421.541 5.848 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1c(C)nn(-c2ccccc2)c1C 408536353 WFSPLOZMSQRTLD-MOSHPQCFSA-N 419.916 5.169 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 409195584 JHLOPPMOUMANCD-HYARGMPZSA-N 414.555 5.949 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(C)C 409352596 XMUJXRKTXLHXBY-UDWIEESQSA-N 413.564 5.444 10 40 HKCB CCCCCOC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 3635767 TXOYKTYBTMDVCE-UHFFFAOYSA-N 411.457 5.215 10 40 HKCB O=C(/C=C/c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1 5180334 GXQVKTRLDIKLCQ-DHIVUKOYSA-N 418.496 5.937 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 218933629 ZJRWPEDWFWYKEE-HXUWFJFHSA-N 408.586 5.477 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1F 222828388 BBIKGZBNAKTMMG-FGZHOGPDSA-N 408.546 5.009 10 40 HKCB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 223027203 AJQSOKMZALOIEA-QFIPXVFZSA-N 400.950 5.113 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1 408758683 PDGPASMDLIBMKE-DEDYPNTBSA-N 409.272 5.534 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2cccc(C)c2)cc1 408759123 YBSYEHIPDUNJGK-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB COc1ccc(OC)c(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)c1 2446112 OVMWRRQRLYKJDX-LZYBPNLTSA-N 409.294 5.093 10 40 HKCB CCN(CC)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4631191 YQLIOAJWLJSBJJ-URXFXBBRSA-N 403.551 5.837 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)cc1 6630095 UFLYJRITRILVGC-UHFFFAOYSA-N 419.912 6.247 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)ccc1Cl 20704266 WEVPXBSNJYPFKD-QFSBIZTOSA-N 405.679 5.837 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 35041358 OJYPMPRRALYNLG-XDHOZWIPSA-N 405.500 5.252 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208511396 OKCPDDQPADFPQR-STZFKDTASA-N 404.535 5.949 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3C)N21 222678439 MBESXRNGGBTBMQ-OFAXGOBFSA-N 406.599 5.360 10 40 HKCB CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 223619723 AIYVJFZAYOXBIR-UHFFFAOYSA-N 411.398 5.389 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)C1 225689765 KOCFAIZAJGPVSO-OAHLLOKOSA-N 418.404 5.172 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(F)cc2)c1 408764003 VLYORBPFAISNGY-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 409022026 CFZJKSPHSDFNMF-BKUYFWCQSA-N 417.892 5.679 10 40 HKCB CCc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1 409056961 FRNNPVUUYFAKSX-UNOMPAQXSA-N 415.411 5.145 10 40 HKCB CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 869286 CSERSHHRAKBIBN-KRWDZBQOSA-N 409.700 5.516 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 3322370 VORHRATUNKWTOT-HZHRSRAPSA-N 416.908 5.711 10 40 HKCB Cc1cc(N2Cc3ccccc3C2)c(C)cc1/N=N\c1ccc(Br)cc1 4300912 KBULNKMQFMAJLM-IZHYLOQSSA-N 406.327 7.002 10 40 HKCB Clc1ccc2c(c1Cl)N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 226906324 SMVBVCZQWZJDHO-OHUGHZGNSA-N 416.351 8.126 10 40 HKCB [O-][N+](=Nc1ccccc1)c1ccc(/N=N\c2ccc([N+]([O-])=Nc3ccccc3)cc2)cc1 245240354 PJPSEMFRNAXBJQ-CXNGHCPDSA-N 422.448 7.953 10 40 HKCB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2c1 408785920 JUSHFGPUBCVYBG-LTGZKZEYSA-N 400.478 5.443 10 40 HKCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 409076125 YBCYEDKJUJOPNL-JCMHNJIXSA-N 402.519 5.817 10 40 HKCB Nc1c(C(=O)Oc2ccccc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 1471620 NCABRRBZMGFSDH-UHFFFAOYSA-N 404.369 5.377 10 40 HKCB CSc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 9188929 SKJPHZVCSCAASQ-PGMHBOJBSA-N 408.592 5.334 10 40 HKCB CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 102925213 YDIFIVSADURCOA-AREMUKBSSA-N 417.597 7.021 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 144224342 MORIZMLBORELLH-HAHDFKILSA-N 416.546 6.458 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2[C@H](C)CC1(C)C 208314454 KKCYKIIRCAKMNV-QAIWHXNASA-N 405.567 5.881 10 40 HKCB Cc1cc(/C=C2/SC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 408846663 RFSMATSWEJXWLZ-FRKPEAEDSA-N 424.374 5.678 10 40 HKCB Cc1ccnc(N[C@@H](c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1 2878481 HQICAVDTVBACIN-NRFANRHFSA-N 410.304 6.152 10 40 HKCB CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccccc3)n3c(nc4ccccc43)C1=C2 4981625 CAAOQYMYFICUBJ-VWLOTQADSA-N 420.516 5.775 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1C 6054386 NRHXIAKDDBPTLF-MHWRWJLKSA-N 404.354 5.472 10 40 HKCB CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S 9805840 HUIRCYQLULEZEJ-NVMNQCDNSA-N 416.930 5.313 10 40 HKCB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219058991 ANJXJIKDKLTVPP-KURKYZTESA-N 400.950 5.221 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 222698909 AONUXKQNOCGGRN-PDIWNELESA-N 418.566 5.174 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1 260466133 FLFPIMIKAQFLJH-HOTGVXAUSA-N 421.368 5.486 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc(F)c1 408604228 ULPGKAGUYYMSLQ-ZDLGFXPLSA-N 417.433 5.770 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Cl)cc1 408766228 SRYUUIUZKHSNGU-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 409051036 HBHGPAPZPUZVEJ-CJLVFECKSA-N 422.455 6.539 10 40 HKCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 409131955 ZGFZBJHAVVRJPC-PDGQHHTCSA-N 408.866 5.000 10 40 HKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 1462146 UKBBUDIVYSWCKW-ATVHPVEESA-N 411.577 5.212 10 40 HKCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1 27533856 KFZMKDFYKJWSSH-RIYZIHGNSA-N 406.319 5.276 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccccc1 59418064 VAAIAXSRPAOSEQ-KGENOOAVSA-N 421.518 5.811 10 40 HKCB CCOC(=O)[C@@H](Cc1ccccc1)n1c(C)ccc1-c1ccc(Br)cc1 95951482 ZJSOQGZENKTEFP-OAQYLSRUSA-N 412.327 5.573 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 225361390 VWRUZQAMJZWYIB-INIZCTEOSA-N 405.369 5.479 10 40 HKCB CCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S 409344283 IMMYNRQBOYMSAZ-UDWIEESQSA-N 410.539 5.358 10 40 HKCB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 3865621 ZDVSRIGRNGHUGY-ZQHSETAFSA-N 421.456 6.720 10 40 HKCB Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1cccc(Cl)c1 408734785 JVQJPUMVODDJLP-UHFFFAOYSA-N 409.942 6.004 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1 408767645 ZIJZSRZUWOGXSX-CJLVFECKSA-N 401.897 5.241 10 40 HKCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1 409125577 BFCTVHBOXUBJPP-DEDYPNTBSA-N 409.555 5.414 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409330227 JZTJQRDHCQHZPJ-FHNWIRHTSA-N 403.956 5.923 10 40 HKCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1 3035987 VSGIKDVLMIYLKP-QNGOZBTKSA-N 403.528 5.671 10 40 HKCB CCOC(=O)c1c(CSc2ccc(CC)cc2)oc2ccc(O)c(CN(C)C)c12 4311654 RJXSUDNVAHALJK-UHFFFAOYSA-N 413.539 5.231 10 40 HKCB Cc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 4571303 NVGVUQORWSKBCQ-BCTVWOGZSA-N 407.333 5.078 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3Cl)S2)c1 13041987 INFJCBGALDZENF-PDGQHHTCSA-N 408.914 5.225 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccc2Cl)cc1 17091253 JUZJRPAMFNHACQ-JWGURIENSA-N 417.896 5.486 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834680 QRUUIMSSCDAAKE-BJKOFHAPSA-N 418.610 5.487 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409378322 NVOXVKLHSKIWEK-WJDWOHSUSA-N 417.889 5.078 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2309504 BBFZIHYUMPIFCK-GZTJUZNOSA-N 407.322 5.710 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1Cl 9188622 JZQQQVIVGFCKDT-NVNXTCNLSA-N 424.772 5.817 10 40 HKCB C/C(Nc1ccc(Cl)c(F)c1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17083275 YJFKGDQWJCPQHG-QNGOZBTKSA-N 405.860 5.616 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 35042996 RXUBNQTZZGUQIE-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 408759749 KURKLMHMGQMQLO-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1[N+](=O)[O-] 409053761 PBTAPUVCYCUPBX-QGOAFFKASA-N 415.401 5.377 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21 409153070 KRYWZPHHEQEWMU-VEVIJQCQSA-N 424.260 6.303 10 40 HKCB CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 409198076 WMBJKPKOYCZNRY-MHWRWJLKSA-N 420.353 5.254 10 40 HKCB Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 3271331 WRPOSJZXFIXRKT-AREMUKBSSA-N 409.485 5.875 10 40 HKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CCC2 4155145 JJVOFIAZWAFAQV-UHFFFAOYSA-N 418.971 5.825 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 7096670 UTSYBTNUMCOWEQ-YDIMBITNSA-N 402.881 6.742 10 40 HKCB COc1cc2c(cc1NCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C)oc1ccccc12 11619374 KOTJQLNRFUASMZ-UHFFFAOYSA-N 419.437 5.170 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 41083383 YDNOJNHXVVRUNA-SDWZUDADSA-N 419.554 5.076 10 40 HKCB Cc1ccccc1OCCn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 409207314 VFDQMGVYAGICAU-HAVVHWLPSA-N 408.501 5.546 10 40 HKCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 2240215 QQIRZVDXWROZPZ-WASCAKKMSA-N 414.461 5.967 10 40 HKCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1 2435583 GWWLJUVNUYUKRW-WQRHYEAKSA-N 421.349 5.956 10 40 HKCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc2ccccc2c1 12469378 VPPQLHSLMLPODN-BKUYFWCQSA-N 421.543 5.306 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 33315561 LGCABZHJFQIZDK-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 222606147 DJXCRFLWJGUTRX-UHFFFAOYSA-N 422.956 5.695 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(F)c1 222613930 FDPFHTGZBCGMSK-RXYZOABWSA-N 406.530 5.218 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408765202 ZYXSYCWFNCIASX-KGENOOAVSA-N 406.844 5.322 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 409167670 JGTGNIASKOASRP-BWACUDIHSA-N 405.133 6.038 10 40 HKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc12 409345825 MIVPLFDGRJPLDY-FYJGNVAPSA-N 405.544 5.871 10 40 HKCB CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S 1173866 IJTBEXSYBAPJIB-PXNMLYILSA-N 410.347 5.403 10 40 HKCB COc1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 3648202 YHRVRIZEPBTUAF-XQNSMLJCSA-N 410.473 5.222 10 40 HKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc(Cl)s1 5059568 LSRVBZCAOAOBRU-UHFFFAOYSA-N 403.872 5.082 10 40 HKCB Clc1ccc(-c2nc(-c3ccccc3)ncc2/N=N\c2ccccc2)c(Cl)c1 100392997 SXDCZILFPBGKLO-DQSJHHFOSA-N 405.288 7.533 10 40 HKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112125407 VJRZVBWNJVKFQY-KQWNVCNZSA-N 401.441 5.727 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc2ncccc2c1 408738035 MFXDCHNGQRXMMD-RCCKNPSSSA-N 408.888 6.360 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409064491 CPZJHTCUWSISFB-ZROIWOOFSA-N 422.695 5.524 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 409342425 DWBHSWZIXKSIFH-FYJGNVAPSA-N 406.576 6.074 10 40 HKCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 1200438 MZPNRXCYDFBGSU-LDADJPATSA-N 422.824 5.115 10 40 HKCB O=C(c1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1O 4666732 UKQXLDZFOYSZSF-UHFFFAOYSA-N 408.482 5.962 10 40 HKCB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222999449 KQUYSTBUHNXSPW-PXDATVDWSA-N 408.586 5.575 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408758186 HGPHTDDAOWUQIM-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409239519 NOKQTHKVIVKUEP-BOPFTXTBSA-N 419.344 5.303 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC 409343573 HKPZUZCSTMLBKQ-MHWRWJLKSA-N 405.928 5.071 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OC)SC1=S 409347628 QPCUILBISQJJIX-JMIUGGIZSA-N 413.608 5.384 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(SC)cc1 409374862 ARDGZOCSOUDXRK-UNOMPAQXSA-N 411.548 5.008 10 40 HKCB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@@]2(Cl)CC=CC[C@]12Cl 1665058 BATMELCQLQGSTJ-KBPBESRZSA-N 418.918 5.984 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(C)cc3)C2=O)cc1 3177140 TZJWOWNGZNAGDG-XSFVSMFZSA-N 411.596 5.112 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)c(C)c1 6331100 LGUHICLPYFRHCF-HZHRSRAPSA-N 414.530 5.965 10 40 HKCB CC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccc(NC(C)=O)cc1 26570052 VYEGHGGBZOKLCH-UHFFFAOYSA-O 407.346 5.731 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 408599938 PAOMJXVOWIDFPM-ZDLGFXPLSA-N 414.508 5.035 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2cccc(F)c2)cc1 408743257 RVCXZAGIKYDMIU-XDHOZWIPSA-N 406.840 6.039 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)C(=O)O3)ccc2c1 408757234 WRCDDQOXWOZNOB-STZFKDTASA-N 423.424 6.298 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409171235 ZMOZBVJLWCHRFR-YHTYYEMMSA-N 418.673 7.492 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 409346417 KMDJRLVOYCSJMS-MOSHPQCFSA-N 408.548 5.466 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)c1 6886432 FCGUSBLGZMOQJM-XDHOZWIPSA-N 421.499 5.359 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(SC)cc1 20032824 SRBVPCOHJYAVGW-UYRXBGFRSA-N 413.926 5.329 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 58821985 OPQVOYAFFSNZDM-HZHRSRAPSA-N 409.464 5.635 10 40 HKCB Oc1ccc(/N=N/c2ccccc2)c(/N=N\c2cc(O)ccc2/N=N/c2ccccc2)c1 100367798 VASNUSURBQADNP-DJZLEYEBSA-N 422.448 8.344 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc2ccccc12 222736104 SXFWSVQSVGMLKQ-ZEQRLZLVSA-N 412.562 5.245 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 409347758 MRBPSCGRLXNZMJ-YBFXNURJSA-N 423.519 5.365 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4852975 RAURYULKSQUDIB-DAYGRLMNSA-N 401.260 5.192 10 40 HKCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1 6869803 JDEHJUYGNHYMHV-JWGURIENSA-N 401.535 5.768 10 40 HKCB CCOc1cc(/C=C2\C=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 17299861 LOLQBFXGDFJOSS-CPNJWEJPSA-N 404.487 5.707 10 40 HKCB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 222855013 BUACPAFHNVOKHA-OALUTQOASA-N 414.977 5.529 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3OC)N21 222679327 ACAKXUSJSLHDFD-PDIWNELESA-N 422.598 5.060 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(Cl)c3)N21 222720228 VLQXOWIYSFQNQQ-ORYQWCPZSA-N 412.990 5.315 10 40 HKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC)c1C 222792781 DKVIBVLQSVZHKS-VWNXMTODSA-N 418.610 5.352 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 408769157 PAYLYECNWVLVQW-YMSBRDKKSA-N 421.541 5.395 10 40 HKCB Cc1c2c(cc3c4ccccc4n(C[C@H]4CO4)c13)C(c1ccc(Cl)cc1)=NCC2 1729133 CALLVHDAMPYWCK-SFHVURJKSA-N 400.909 5.549 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(Br)c2)cc1 408754048 PGDKFDHIHAAYAA-KGENOOAVSA-N 417.306 5.592 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2F)cc1 408783676 OINHGBNCNPQIEC-LDADJPATSA-N 418.399 5.653 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409369983 ITNXPHNIZSSCHU-STZFKDTASA-N 421.562 5.583 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCCCCC4)=NC3=O)cc2)cc1 6841153 JDHVUCAQXPYVQO-JWGURIENSA-N 406.551 5.420 10 40 HKCB O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 33347321 ZKHFICIRSYCUDS-WOJGMQOQSA-N 415.301 6.336 10 40 HKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 59959356 WBELNRAQJCQHFM-BOPFTXTBSA-N 416.304 5.175 10 40 HKCB Cc1ccc(NC(=O)c2cc3ccccc3c(/N=N\c3ccccc3O)c2O)c(C)c1 100250858 JSSROCUNTZVPCI-DQSJHHFOSA-N 411.461 6.536 10 40 HKCB COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1ccc(O)cc1 104388902 FRASVXZUWANQQU-JKZRTEGISA-N 412.427 5.478 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222917999 RDWODLQVHXHLJF-BJKOFHAPSA-N 418.610 5.426 10 40 HKCB CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408902146 KVTIPYXKAXIKCL-LFIBNONCSA-N 405.928 5.153 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(C)cc2)cc1 408996660 MBKYIPOANXLGIS-HAVVHWLPSA-N 412.489 5.237 10 40 HKCB CC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)c1 2512793 DROBNEXUPRNPID-CQSZACIVSA-N 422.322 5.874 10 40 HKCB COc1ccc(C2(NCc3ccc(OC)c(Cn4nc(C)cc4C)c3)CCCC2)cc1 12328312 SCJCKJVXXNBBNE-UHFFFAOYSA-N 419.569 5.125 10 40 HKCB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCCC2)cc1 20106360 XHCAOHGFXURKPV-VWLOTQADSA-N 402.538 5.304 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 217982000 ATEOVVAHKDWIPH-KRWDZBQOSA-N 402.991 5.546 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(Cl)ccc3C)C2=O)cc1 408984494 HSGGPXLNLNVPNR-RCCKNPSSSA-N 415.920 6.518 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1OC 408997328 NRJAVEMKAISNCL-XSFVSMFZSA-N 418.880 5.192 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1C 5546884 SJEJJCPGAILLHA-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)o2)cc1 27549472 KTDLRBRNXKPBRM-JTKJEDPUSA-N 424.551 5.404 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)N=C2c2ccccc2)cc1 33401569 ISBMDZHMLVBMSG-QNGOZBTKSA-N 417.306 5.592 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(F)c(N4CCCC4)cc3C)N21 260762950 HVYAMXQQNYXXRR-HVETUWLQSA-N 410.562 5.109 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC 408761294 DFYZBUYUUKDLEI-XMHGGMMESA-N 417.892 5.829 10 40 HKCB CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC 4893419 LMWCZTKXYHHMJQ-SXGWCWSVSA-N 415.283 5.146 10 40 HKCB CCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 6635168 PZHIZPXMMMDHSZ-XNTDXEJSSA-N 415.342 5.059 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C(C)C)cc3)C(=O)N=C2S1 13280970 JOGKUJPGYJMYOV-ANDFITQPSA-N 419.554 5.410 10 40 HKCB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 19853721 GMYZRMMNYBKANR-HEHNFIMWSA-N 417.619 5.429 10 40 HKCB Oc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 106937248 GUKHASSSDSURRJ-KNQAVFIVSA-N 421.294 5.397 10 40 HKCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225668742 JNJVQOUNWKEVHP-NVXWUHKLSA-N 402.007 5.932 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1 408752691 GAPVLONSGSEKNC-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 409100461 NQRBERKEOUEEEC-XDHOZWIPSA-N 422.531 5.155 10 40 HKCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2ccccc21 409113987 PCRUUZQUUBTJPV-JCMHNJIXSA-N 401.466 5.300 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)c1 409172524 JUTZAAZQBCHKAF-NVGCLXPQSA-N 423.669 5.976 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409352786 YVTOOKWDYSICGC-MDBUFAAASA-N 417.527 5.417 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 6963541 LWOWFXJOFQMROI-AUSJPIAWSA-N 415.287 5.501 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 8092250 CEWQOAQJWBYQCX-FMTVUPSXSA-N 408.712 6.260 10 40 HKCB Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 18190084 AUWBYGKTYGPRHY-JOCHJYFZSA-N 424.331 6.461 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 33660522 RHPWFSMGWWBNSF-YNHOBRIKSA-N 411.672 6.087 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(F)cc1 222919495 ILDWPUAPHWZGEB-PKTZIBPZSA-N 422.573 5.257 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(OC)cc3)C2=O)cc1 408752903 DGSBLYOLEFKADE-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408762262 ALIUEXCHTJOPEG-YBFXNURJSA-N 420.827 5.042 10 40 HKCB Cc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c(C)n1-c1ccccc1 3200315 DDOXERWGIJKJQK-UHFFFAOYSA-N 421.585 5.911 10 40 HKCB CC(C)N(C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C 6049651 SNYUMPUNAWMHAZ-UHFFFAOYSA-N 422.532 6.740 10 40 HKCB Oc1c([C@@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)ccc2cccnc12 20192756 ULORUORGDZBJQX-SANMLTNESA-N 409.533 5.380 10 40 HKCB CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1 85875599 JMBKSMPFEYYJKB-QYBDOPJKSA-N 403.522 5.566 10 40 HKCB CCOc1c(/N=N\c2ccccc2Cl)c(-c2ccccc2)nn1C(=S)S 104231000 ITALQPCUIJXJAA-MRCUWXFGSA-N 402.932 6.080 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 408980758 XDTTZCCOILCSAT-DHDCSXOGSA-N 422.695 5.524 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409035976 RBGQLORYILJJKC-GMROUXNLSA-N 424.369 5.366 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C/c2ccccc2)SC1=S 1669964 KTRAWKDBDIDDDZ-URBQWANRSA-N 415.539 6.092 10 40 HKCB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 5502586 QIURFMPQSWEFHB-HMAPJEAMSA-N 416.912 5.210 10 40 HKCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 8821522 HTBQTWZFPVXWPY-OQLLNIDSSA-N 422.915 5.508 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S 59418258 VGTOJSKBLFSWEL-XDHOZWIPSA-N 417.527 5.025 10 40 HKCB CN(CCc1cc[n+](C)cc1)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2Cl)cc1 104206983 DUIJBGCMPXIBJJ-VHXPQNKSSA-N 410.885 5.167 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 222800816 XPNPTEHRECFHAI-HXUWFJFHSA-N 408.586 5.477 10 40 HKCB Cc1nc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)O)n[nH]1 409187916 DEHODKHWXRGXAS-APSNUPSMSA-N 423.325 5.045 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)c2ccccc21 409206641 ZDOGDWMBCGCZKL-ZXVVBBHZSA-N 424.588 7.049 10 40 HKCB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 1782200 CXKYICAHSFCJJW-VWLOTQADSA-N 417.892 5.483 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 100207937 JLRSDIROCDWMIH-BOPFTXTBSA-N 402.277 5.261 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1S 408983477 CAIUTBWNFWEBQR-SFQUDFHCSA-N 424.352 6.753 10 40 HKCB O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccc(Oc2ccccc2)cc1 9188827 RCYNUENOMHONQH-ZHZULCJRSA-N 405.500 5.590 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 9833605 QHMGZHAVBAQNRN-SOZUMNATSA-N 419.264 5.515 10 40 HKCB CC(C)=CCc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)cc(O)c1O 14727602 QNLGNISMYMFVHP-UHFFFAOYSA-N 422.477 5.300 10 40 HKCB endogenous,in-man COc1cc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 59437061 UGOBBVDPXFBXDS-XFQAVAEZSA-N 414.343 5.910 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 409165056 RUNARRDHWQJIEK-FMTVUPSXSA-N 401.260 5.192 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409328005 PAQKZRLFQKFGLR-MOSHPQCFSA-N 409.507 5.783 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2cccc(Br)c2)o1 1185755 QJLCSPWQQSXPBI-ATVHPVEESA-N 417.328 5.165 10 40 HKCB CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 1683244 GQIRBPMFKDRVPW-UHFFFAOYSA-N 411.977 6.740 10 40 HKCB O=C(c1ccccc1)c1ccccc1Nc1cc(-c2ccccc2)c2ccccc2n1 2244386 UWLSJRFWYQPFKR-UHFFFAOYSA-N 400.481 6.876 10 40 HKCB CC(C)c1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 5160062 DFMDVSRIIXRQBL-ANDFITQPSA-N 408.571 5.790 10 40 HKCB N=C(N)c1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1 5519276 XLJUNSXIULBDTE-ZQHSETAFSA-N 409.449 5.497 10 40 HKCB in-vivo CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 6569739 YQPDBSNXJCZZGA-YNUQAMOLSA-N 419.554 5.212 10 40 HKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 8444153 DVFQCMKFECRASO-MOSHPQCFSA-N 421.294 5.824 10 40 HKCB C/C(Nc1ccc(Cl)c(Cl)c1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17092905 RZZPIBDVKRYIGB-QNGOZBTKSA-N 422.315 6.130 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C 208229185 PYQROZOLABDHKP-RIWZNOJBSA-N 420.578 5.954 10 40 HKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224252858 CSJIHKDGLLQXGO-RPBOFIJWSA-N 424.573 5.666 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2cccc(Br)c2)cc1 408754911 PCDAOAZIIUAWLC-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 408758786 REYLKPUXJQNGPG-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 13662106 HMJZOWULXOKDED-LGVFNWMJSA-N 407.941 6.656 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 14477445 AEHIWJPWPWSWJW-YDIMBITNSA-N 408.328 7.612 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)c(N4CCCC4)cc3C)N21 222677886 QOEFDZRLXYXSLJ-OFAXGOBFSA-N 406.599 5.278 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C)c3C)N21 222694868 IPUJLXDQHDXNGI-CTUHWIOQSA-N 416.594 5.777 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)c1 408843685 RQZVZOYLJSZXHP-RCCKNPSSSA-N 418.880 5.192 10 40 HKCB Cc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1O 409114949 FNUJNWHDXIEWDB-UHFFFAOYSA-N 405.517 5.491 10 40 HKCB CCCc1ccc(C(=O)C[C@@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)cc1 2258922 KYPLTYRYYQYRGJ-DEOSSOPVSA-N 410.513 6.081 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 4081958 SRKNHXLBHAHSOC-DAYGRLMNSA-N 410.233 6.174 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 4151437 MZPRADALSUCTGP-DAYGRLMNSA-N 401.260 5.192 10 40 HKCB Brc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1 6971348 KLYFCRCTRIKBNK-VBQJREDUSA-N 405.133 6.038 10 40 HKCB Cc1cc(NC(=O)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1Cl 41108649 DVMRQXBEFWSCCK-UHFFFAOYSA-N 401.293 5.531 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 222703790 RAQSTVRIUQGFTC-YFXJRYMSSA-N 417.582 5.172 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2cccc(F)c2)SC(=S)N1c1ccccc1 408903249 WJSZFFYYMRIATK-KGENOOAVSA-N 421.518 5.811 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc2ccccc12 409034545 OEQXNJJTDMTVGT-ZROIWOOFSA-N 402.322 5.341 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409338252 GPZPQGSHEJTHSA-UYRXBGFRSA-N 414.983 5.654 10 40 HKCB O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 4482258 APTHSSTWQJXYEY-WDEHBGAFSA-N 402.884 5.210 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 4959458 DHDYXANJRQUVLF-VIZSFHNOSA-N 407.535 5.184 10 40 HKCB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(F)cc1 9188527 WWLUKHNGOWMPGF-STZFKDTASA-N 421.518 5.811 10 40 HKCB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2Sc2ccc(Cl)cc2)c1 40488427 ZOGGHVBSOFJESG-QNGOZBTKSA-N 420.921 5.885 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 40864837 RTNMHPOCUPSESZ-KGENOOAVSA-N 402.877 6.209 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 218940655 WKNZARNLCCDSDV-AEFFLSMTSA-N 400.950 5.141 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219324329 NROMPWHSEKXIBT-STSQHVNTSA-N 414.977 5.611 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 222855065 BUACPAFHNVOKHA-RBUKOAKNSA-N 414.977 5.529 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@H](CC)N21 260753015 ASGQWKFJGUYDQZ-JJEOQYAHSA-N 422.598 5.060 10 40 HKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 408754045 IGRCDQMGAFECCS-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1Cl 408949112 QLWIAPPVSBHBKP-UHFFFAOYSA-N 418.718 5.886 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(C)cc1 1182514 IIPBGWHNLHSWLF-MOSHPQCFSA-N 413.564 5.194 10 40 HKCB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OCc2ccccc2)cc1)C3 2112579 CQIIIDCZZUMKRX-UHFFFAOYSA-N 413.473 5.291 10 40 HKCB biogenic CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 2240213 QQIRZVDXWROZPZ-GXPOEHQZSA-N 414.461 5.127 10 40 HKCB Cc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1 3247820 BZSYZIPTCBPEMH-UHFFFAOYSA-N 422.500 5.326 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4321192 SFQKUKBSPUOLCV-VMGFYNCMSA-N 420.512 6.642 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 4321335 POHNNZIHPZIYMQ-KRKXHZOKSA-N 412.489 5.692 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 5371949 CWUFXCKJNYHASP-WJDWOHSUSA-N 404.354 5.417 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1Cl 9188624 VYACPEJVZBZXGR-UUASQNMZSA-N 414.766 6.361 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 18100775 GABJEMYOCSTNBS-IFCLKOLQSA-N 402.925 5.745 10 40 HKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC1=S 35401617 XCKKCKXNDYRWNZ-UDWIEESQSA-N 410.539 5.440 10 40 HKCB CCOc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F 97990636 NBVLIGANVIUYEI-WOJGMQOQSA-N 418.465 5.386 10 40 HKCB FC(F)(F)c1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4)o3)CC2)c1 2233487 GKNAVXGQYBEUQZ-UHFFFAOYSA-N 416.468 5.463 10 40 HKCB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc(Cl)c1OCC 4657293 LGRZTGFHQMGNRR-MFOYZWKCSA-N 419.308 5.597 10 40 HKCB COc1ccc(Nc2ccc3ccccc3c2/N=N/c2nc3ccccc3n2C)cc1 4855342 SRHHDSIUCHZZMQ-ZQHSETAFSA-N 407.477 6.894 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 5520187 KUXRZEBFASVOSZ-DEDYPNTBSA-N 408.910 6.245 10 40 HKCB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1 13810541 ORBFWEYTWQLDIO-UYRXBGFRSA-N 421.499 5.139 10 40 HKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC)c(OC)c3)S2)cc1 35042701 MSDVMZZYUMOKMD-RCCKNPSSSA-N 410.539 5.519 10 40 HKCB O=[N+]([O-])c1ccccc1NCC[n+]1c(-c2ccccc2)csc1Nc1ccccc1 65090448 OHWRWINJYKKNQZ-UHFFFAOYSA-O 417.514 5.467 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)CC1 217990334 YVEISAFNMGWBGI-ROUUACIJSA-N 417.018 5.934 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222784654 RWJJYGROXNNBPH-NHCUHLMSSA-N 410.974 5.135 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 408938559 KXQNYWUZXYVFJL-DEDYPNTBSA-N 420.871 5.864 10 40 HKCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409124287 ASXJMFAQWRFOTH-PTGBLXJZSA-N 420.578 5.654 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 1011161 PPJULNADIKVZJR-MTJSOVHGSA-N 424.472 5.609 10 40 HKCB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccccc1 4131078 MJVZRKDQIZPBEU-UHFFFAOYSA-N 407.470 5.061 10 40 HKCB O=C(NCc1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4713404 HIAAHIIPZFQLIZ-UHFFFAOYSA-N 413.480 6.019 10 40 HKCB CCOC(=O)c1c(CSc2ccccc2)oc2cc(CN(C)C)c(O)c(Cl)c12 19898157 CUPOPGWAZZSJLG-UHFFFAOYSA-N 419.930 5.322 10 40 HKCB O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 27230099 CIEINYONZLXQMN-GSPDUGTFSA-N 415.845 5.914 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 100148061 WPCPAFKAGCJQKS-CPNJWEJPSA-N 407.267 5.515 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 100964876 AQOHOSGMSHELRG-PGMHBOJBSA-N 404.539 5.802 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 208461215 RBWBARGQQSCYDU-BKUYFWCQSA-N 404.535 5.868 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc4c(c3)C(C)=CC(C)(C)N4C)N21 260769350 LQUHWVRNEQFTQW-LEOXJPRUSA-N 418.610 5.693 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 6273125 GVJKFBQVZICNBE-XNTDXEJSSA-N 409.363 5.465 10 40 HKCB Fc1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 6444985 IVLXELQAFLPJBS-UKFDBNNRSA-N 422.341 6.483 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1 9188495 KCZVAVGGECVRPK-WJDWOHSUSA-N 420.353 5.254 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 59425973 OGRVBRXQMUDSLT-GDNBJRDFSA-N 413.256 6.243 10 40 HKCB Oc1ccc(/N=N/c2ccccc2)c(/N=N/c2cc(O)ccc2/N=N/c2ccccc2)c1 100367807 VASNUSURBQADNP-BHYDKEGGSA-N 422.448 8.344 10 40 HKCB S=C(Nc1ccc(/N=N\c2ccccc2)cc1)SCc1ccc2c(c1)OCO2 104198464 YRGIKPSOMAKLBL-VHXPQNKSSA-N 407.520 6.461 10 40 HKCB COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4ccccc4)N=C3C)cc2)cc1 112287340 WZPWDQVQHLZAQO-ULJHMMPZSA-N 412.493 5.547 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 222872874 MKDQZFHSXNPYNE-BJKOFHAPSA-N 418.610 5.434 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 260784172 VFFHWMXHQHWWAO-FOVJLYNBSA-N 416.594 5.777 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 409156821 TXLHJKMDAZCUPT-HBUWYVDXSA-N 401.260 5.192 10 40 HKCB Cc1ccc(C)c([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1 6546269 VRZMSIDLULTMBR-YRNRMSPPSA-N 401.291 5.735 10 40 HKCB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 33319476 OBOHPNGETOUBPB-ZHZULCJRSA-N 419.575 5.323 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)c(N4CCCC4)cc3C)N21 222677827 QOEFDZRLXYXSLJ-YFXJRYMSSA-N 406.599 5.278 10 40 HKCB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)c(C)c1 408965632 WQCMVBJNWDHEHC-HYARGMPZSA-N 416.546 6.260 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S 2852144 SVGGOLDGOQMYPO-YVLHZVERSA-N 424.374 5.794 10 40 HKCB CSc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 80348213 UKEQTTUTMKJLRK-DTRPCSQLSA-N 412.584 5.388 10 40 HKCB COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 222370233 PXIYOTCBALVQRI-NQCMUKECSA-N 406.309 5.846 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)C1 260452948 AQWJNGSCWKEUNR-VQTJNVASSA-N 408.586 5.477 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 409021516 LKAWACMCBPBCDD-IDUWFGFVSA-N 422.695 5.524 10 40 HKCB CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1O 5477919 KZKUJHJRVKBLEB-PXNMLYILSA-N 409.294 5.180 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2c(OC)ccc3ccccc23)SC1=S 6849208 LRVAHMYZNBFURA-DEDYPNTBSA-N 407.516 5.263 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 6865668 ZMPJLLODSLGNME-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3oc(Cl)nc3c2)c1C 225985670 DOLCPQPWXPCSFI-UHFFFAOYSA-N 423.900 5.170 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409155973 SGWYCMVNGVUJSQ-AGKHESDQSA-N 405.237 5.426 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 13549394 AUVCGMURVNNDIY-KQWNVCNZSA-N 413.473 5.116 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1cccc(Br)c1 408761033 GRJMMPAUDAVLHJ-XSFVSMFZSA-N 403.279 5.284 10 40 HKCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(Oc3ccccc3)cc2)OC1=O 409054238 TUMHNEOCSBWKFR-HEHNFIMWSA-N 420.464 6.622 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 409345810 MEJHPJVPXKOBNH-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1 9311265 LSYSKJZFAQBVAQ-XQNSMLJCSA-N 418.452 6.219 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1 13213654 GIGGVQZQNKKVLB-GCXSFWCZSA-N 412.518 5.165 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 100501899 UYCZWLZXXABFBN-JJIBRWJFSA-N 404.473 5.345 10 40 HKCB Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1O 102625623 CLRPWSWZSMMUGW-QFIPXVFZSA-N 405.885 5.889 10 40 HKCB O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1cccc(F)c1 113831268 AZACAPNMCJTOLE-ZRQJSYPSSA-N 420.328 5.550 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222962183 RPKWSSOCZAQEAS-BJKOFHAPSA-N 418.610 5.570 10 40 HKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c2cccnc12 225667015 QUGKKMFTNGQWIL-KRWDZBQOSA-N 420.582 5.281 10 40 HKCB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253508470 PGSCVRYPLPSIOE-BCXLZNIDSA-N 423.641 5.510 10 40 HKCB Brc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 409155468 PYYFMPCABSJYKK-KEYYUXOJSA-N 405.133 6.038 10 40 HKCB Cc1ccnc(N[C@H](c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1 2878482 HQICAVDTVBACIN-OAQYLSRUSA-N 410.304 6.152 10 40 HKCB CNc1ccc(Sc2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O 4793911 VCTSFFPLFQTHFZ-UHFFFAOYSA-N 401.531 5.952 10 40 HKCB Cc1c2c(cc3c4ccccc4n(C[C@@H]4CO4)c13)C(c1ccc(Cl)cc1)=NCC2 5103603 CALLVHDAMPYWCK-GOSISDBHSA-N 400.909 5.549 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 7095993 PSBDHIZEENHVBL-SLSDLSHTSA-N 403.978 7.459 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 7096138 QETBCIRRLMCIDF-FBLLAGFSSA-N 414.530 6.714 10 40 HKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cccc2ccccc12 101077968 CWZRTQVXLQFZAV-CPNJWEJPSA-N 406.283 5.321 10 40 HKCB Nc1nc(-c2cccc([N+](=O)[O-])c2)c(/N=N\c2ccc(Br)cc2)s1 104134007 KNHASUMTWGUIKZ-VXPUYCOJSA-N 404.249 5.478 10 40 HKCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409188159 BMHZACVHQITQIY-XDHOZWIPSA-N 414.914 5.190 10 40 HKCB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)ccc2C(C)C)cc1 409370345 PGEKVUXVTIIQRZ-UHFFFAOYSA-N 405.538 5.992 10 40 HKCB Cc1ccc([C@H](c2ccc3cccnc3c2O)N2CCN(c3ccccc3)CC2)cc1 1501015462 ZZGALCYCZPTXOI-AREMUKBSSA-N 409.533 5.160 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 1414831 YCRXKWVLFZSXMK-JCMHNJIXSA-N 401.535 5.146 10 40 HKCB CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 3768796 SBARXEAZSITTDK-LFIBNONCSA-N 420.353 5.254 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2[C@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4321190 SFQKUKBSPUOLCV-IEANYPJISA-N 420.512 6.642 10 40 HKCB Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 4321218 NGRNPJMUOOSRQA-UHAJZMFGSA-N 418.378 6.652 10 40 HKCB Cc1cc(C)c2c(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)coc2c1 6804264 UATNDTUULLPNOB-UHFFFAOYSA-N 416.521 5.480 10 40 HKCB aggregator CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1cc(C)ccc1C 95471581 MFVMMKBFSQDHKO-ZROIWOOFSA-N 408.716 5.982 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 222695071 SPRDVBHKQUYMIL-WDJPJFJCSA-N 416.594 5.777 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 222703273 KGUAIQNZUWTTKD-YFXJRYMSSA-N 417.582 5.172 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222873783 CYYWOKDUYHPIMB-VXKWHMMOSA-N 408.546 5.011 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(Cl)cc2)cc1 408844695 PBWNCZVMXIORER-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1 409234876 NORJPJICOLQETA-ZVHZXABRSA-N 413.521 5.112 10 40 HKCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc2ccccc2c1 9233791 VPPQLHSLMLPODN-FYJGNVAPSA-N 421.543 5.306 10 40 HKCB C/C(Nc1ccc(Cl)cc1C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17092021 MRIJPWOWNYPDOT-JWGURIENSA-N 419.887 5.925 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCSc3ccc(Cl)cc3)cc2)C1 260466096 CYMMHEZUKDWKSO-ROUUACIJSA-N 417.018 5.936 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3OC)N21 260752812 ACAKXUSJSLHDFD-VSDWSMLSSA-N 422.598 5.060 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(Cl)cc2)cc1 408764033 VQYYSYPVDOUNCC-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 409194772 MDPZFKRZJSLNNK-WOJGMQOQSA-N 414.939 5.556 10 40 HKCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1 2144030 RUPWORKYOYIOPC-YBFXNURJSA-N 423.421 5.020 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4513293 SSWHUEHHYRFWSO-PNLZDCPESA-N 415.364 6.302 10 40 HKCB CCOc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 13597118 MLGXFICJCLRAOT-XLNRJJMWSA-N 406.551 5.010 10 40 HKCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 27229352 PQUVDUWKXKGPBM-AWNIVKPZSA-N 400.834 5.160 10 40 HKCB CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(OCc3ccccc3)cc2)C1=O 33506177 VQAREFIHUMMGEN-DEOSSOPVSA-N 414.505 5.367 10 40 HKCB in-vitro CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SCc4ccco4)o3)C2=O)cc1 41108867 ABNXVAPDSFSRRP-PDGQHHTCSA-N 422.462 5.234 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 144205399 XTCWFYDYRAKLGI-DEDYPNTBSA-N 408.910 5.988 10 40 HKCB Cc1c(N2CCCC2)ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1Cl 260781560 SYRAEMHIQHAUTQ-PUCZYUMASA-N 412.990 5.233 10 40 HKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Nc2ccccc2)cc1 408967222 RCNGAGHKCOOZRD-UHFFFAOYSA-N 403.323 6.959 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 409150954 FLRDUYJVJHVTAC-CKEIUWERSA-N 405.679 5.837 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C1CCCCC1 1060657 DIIVAZCRTXWVKP-LDADJPATSA-N 414.508 5.389 10 40 HKCB CC(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999266 SUKYGHHMICKDFC-MHZLTWQESA-N 422.613 5.309 10 40 HKCB biogenic Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 6961895 BVHWCEUBFQVLDM-SANMLTNESA-N 409.558 6.458 10 40 HKCB CC1=NN(c2cccc(C)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 10059841 XUWDTGKQAFNKFE-LDADJPATSA-N 421.840 5.623 10 40 HKCB CCCCCC[C@H](C)Oc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O 33752528 YBKLMUHJYNRZJX-CYUIRQCWSA-N 408.951 5.184 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)c(N4CCCC4)cc3C)N21 222678005 QOEFDZRLXYXSLJ-CDNPAEQRSA-N 406.599 5.278 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3C)N21 222678108 NXHBIACKYJWGAM-YFXJRYMSSA-N 406.599 5.278 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578070 VKAAISMKJDIDEC-OALUTQOASA-N 402.538 5.576 10 40 HKCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408999995 WNTARUNUWOKVOZ-IGWPVBGESA-N 416.304 5.427 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)ccc1Cl 409155757 MTOYBERLNBHKHU-DINDLPBHSA-N 406.225 5.636 10 40 HKCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)sc(C)c1C 409206160 HYWVESGVIZFGMA-WOJGMQOQSA-N 406.507 5.052 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 409230946 AFFMOPPFDHDZMB-QNGOZBTKSA-N 419.596 6.552 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@@H](C)C2 798225 UWTAJMOKQWXUCP-OAHLLOKOSA-N 407.539 5.141 10 40 HKCB Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 3350633 XBSDEHXMZMTPBG-UHFFFAOYSA-N 418.276 5.146 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc2c(-c3ccccc3)ccnc12 100931850 LMHXJABREHRSDB-HAVVHWLPSA-N 404.473 5.620 10 40 HKCB COc1cc2c(C)c[n+]3cc4cc5c(OC)c(OC)ccc5cc4cc3c2cc1OC 1859418 DNJISZQYBWDTJI-UHFFFAOYSA-N 414.481 5.228 10 40 HKCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2c(Cl)cccc2Cl)S1 39870068 HRBMGMNBPKGVND-NVNXTCNLSA-N 407.278 5.082 10 40 HKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 59959354 NCKLVTVCOWRFFD-YVLHZVERSA-N 416.304 5.175 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1 95365067 VAKHTIQXGBHHSK-UHFFFAOYSA-N 406.536 5.349 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 205687963 PLKLLIPDMCRZDM-YBFXNURJSA-N 418.921 5.562 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222613060 AKWSWGCQEMHNIM-DPSWKAHMSA-N 416.594 5.641 10 40 HKCB C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 225360747 OJYNQBOZULMMKY-MRXNPFEDSA-N 405.369 5.794 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 41108256 MUNNEBSRRLZLGD-ROQGJMCKSA-N 417.321 5.178 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O2)cc1 83260599 WAAVMDGEYMXWIC-LFIBNONCSA-N 403.390 5.153 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 408945610 XBROIOJMAIWFBM-XIEYBQDHSA-N 418.496 6.225 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 408974050 WLBDEJKJDKYEHQ-ATVHPVEESA-N 416.786 5.949 10 40 HKCB CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409330119 IYTHCRXFWZJBCV-LZYBPNLTSA-N 423.346 5.358 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OC 409352910 ZKEUTCPGFMYNJJ-LICLKQGHSA-N 419.955 5.380 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 5219563 GLSJVLWAAXTOEK-WEHZRUJJSA-N 419.554 5.130 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC 34139188 MMVXJAWVEAGMBO-XSFVSMFZSA-N 418.880 5.192 10 40 HKCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(Br)c2cccnc12 102573135 PXASPSQXDLVEIJ-VBKFSLOCSA-N 423.339 5.517 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(F)cc2)cc1 408756753 XBINUPJPJBBKSF-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB CCc1ccccc1NC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 1266711 PQWRXHZYAODHML-SDEVTQOVSA-N 422.575 5.035 10 40 HKCB CCCc1ccc(C(=O)C[C@H](c2ccccc2)C2(C)C(=O)c3ccccc3C2=O)cc1 2258923 KYPLTYRYYQYRGJ-XMMPIXPASA-N 410.513 6.081 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222745778 ODYBQIRQJAUGBG-SFTDATJTSA-N 410.974 5.053 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222879187 YFHNWRUXIWYWRG-DNQXCXABSA-N 418.610 5.488 10 40 HKCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408799231 YOUZGWXKRWIRJW-RVAQLADHSA-N 415.411 5.139 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c(C)c1 409051356 CNBCWIVZQBGZPI-KGENOOAVSA-N 416.904 6.517 10 40 HKCB CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5735194 PAINRSRGPIYXAT-DTQAZKPQSA-N 411.976 5.055 10 40 HKCB Brc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c1 6969923 PYYFMPCABSJYKK-VBQJREDUSA-N 405.133 6.038 10 40 HKCB COC(=O)[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 8763288 MHZCURLOTNGKFR-QHCPKHFHSA-N 420.848 5.407 10 40 HKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1C1CCCCC1 8768257 MLIQZRDQXODBTL-XSFVSMFZSA-N 407.539 5.282 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CN1CCCCCC1 49946876 ICKNZMQOKFNKBU-DHDCSXOGSA-N 401.384 5.028 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccccc4)=NC3=O)cc21 208471081 KNXRPXKZWLTTJS-JAIQZWGSSA-N 423.969 6.054 10 40 HKCB Cc1cc(CN(C(=O)c2ccc3[nH]c(Cl)nc3c2)C(C)C)c(C)n1-c1ccccc1 225982563 JKTUPBZYJAYJBI-UHFFFAOYSA-N 420.944 5.675 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260774876 NYUZDYUEHVJEFI-NLSFWIRASA-N 402.567 5.387 10 40 HKCB CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409177051 BTNQITPZLFTSQI-MFOYZWKCSA-N 407.919 5.672 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2F)C1=O 409330038 JTJUIHOWMMUHIB-KGENOOAVSA-N 423.534 6.174 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 1010963 GOHNNPWQCNZHHD-LPYMAVHISA-N 423.438 5.919 10 40 HKCB COc1ccc(Br)cc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 4959415 FVAPGMNLQMHFFK-NJSLBKSFSA-N 401.260 5.192 10 40 HKCB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(/N=N/c3ccccc3)cc2)cc1 5559122 BVHQHLNFZDUEJX-ZGKJFVQXSA-N 402.454 5.466 10 40 HKCB Cc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)coc2c1C 6804267 YGUZVOHOFOCSDH-UHFFFAOYSA-N 416.521 5.480 10 40 HKCB Oc1ccc(/N=N\c2ccccc2)c(/N=N/c2cc(O)ccc2/N=N/c2ccccc2)c1 13403781 VASNUSURBQADNP-COROVXQKSA-N 422.448 8.344 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S 409347402 PTJCERNJXCVRJU-YVLHZVERSA-N 402.497 5.083 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)o1 1188220 VMIZGINWEPRAQW-PXLXIMEGSA-N 408.461 5.247 10 40 HKCB CN(C)c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 2206082 CLTJPTKYJCGFRR-UHFFFAOYSA-N 408.332 6.784 10 40 HKCB COc1cccc([C@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)c1OC 4664566 BOKUEZDPRWVPMX-LXIYXOSZSA-N 404.279 5.432 10 40 HKCB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(=O)OC 5548004 FADSVKHSIPGTHJ-KRWDZBQOSA-N 408.494 5.523 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1Cl 34234481 PMVXASAEKYFEQW-CAOOACKPSA-N 400.912 5.236 10 40 HKCB COc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1OC 60512738 SHCMSDUFGJVTLI-UYRXBGFRSA-N 407.516 5.263 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222789447 RYSIQFGZVYNUAP-GOTSBHOMSA-N 404.583 5.098 10 40 HKCB Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 226745572 ABOCIAODVGAOTG-NMMYMHLASA-N 422.355 7.399 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(F)cc1 260756057 DBJXPRWGCJHYNF-UJUVCNOISA-N 406.530 5.218 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1c(O)ccc2ccccc12 409055514 JBBGWXCENCBJOE-CAPFRKAQSA-N 406.437 6.319 10 40 HKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409339961 NMVMMARBFCRRHN-WOJGMQOQSA-N 403.956 5.781 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1C 409346647 KWNQCUNNWHVXSA-MHWRWJLKSA-N 420.353 5.172 10 40 HKCB Oc1c([C@@H](Nc2ccccn2)c2ccc(OC3CCCC3)cc2)ccc2cccnc12 5660957 LTZWVBLOCVAVAH-DEOSSOPVSA-N 411.505 5.858 10 40 HKCB O=C1c2ccccc2C(=O)c2c(Nc3c4ccccc4nc4ccccc34)cccc21 6548868 DJYPKJXYRRIRDL-UHFFFAOYSA-N 400.437 5.907 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc([N+](=O)[O-])cc1 408983838 DLISLMLJARYLPX-NBVRZTHBSA-N 402.837 5.720 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C 409009476 AHXFKCFFKIXPKJ-UDWIEESQSA-N 405.885 5.153 10 40 HKCB Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409133729 RBTQHJXEAUTBMS-STZFKDTASA-N 422.575 5.250 10 40 HKCB O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1C1CCCCC1 409344484 JLYAFXCQXDSDRH-GHRIWEEISA-N 401.578 5.965 10 40 HKCB Cc1cc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)ncc1Br 46085519 DJXPGFHLNUJLBU-LJQANCHMSA-N 421.298 5.003 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217990510 FTYVOTKTSXQNNB-FGTMMUONSA-N 417.018 5.934 10 40 HKCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 223361932 WBTIEZWPFNBDOD-KRWDZBQOSA-N 400.950 5.466 10 40 HKCB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C(C)C 225586985 VXPMZVBJOQFJPJ-UHFFFAOYSA-N 423.534 5.159 10 40 HKCB CCN(CC)Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1O 1729535 UJJMQKYEIMKJBA-UHFFFAOYSA-N 403.695 7.662 10 40 HKCB CCc1nccn1Cc1cc(CNC2(c3ccccc3OC)CCCC2)ccc1OC 19523667 BGWIHIZDHSROOM-UHFFFAOYSA-N 419.569 5.070 10 40 HKCB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219321207 MMXDIOCQKDJLJD-KGVIQGDOSA-N 414.977 5.611 10 40 HKCB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 253508479 PGSCVRYPLPSIOE-NGVQUQIASA-N 423.641 5.510 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408788029 AAMYYWRPVWYRRB-HMMYKYKNSA-N 412.445 5.383 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409151851 HVCCOCNNJFSXIS-BWACUDIHSA-N 406.225 5.636 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 409326344 APFQXUVIQMPNIC-STZFKDTASA-N 421.543 5.653 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)SC1=S 409352790 ZIHXRFYFSZQVIQ-ZHZULCJRSA-N 413.564 5.276 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1C 4712922 RMCWHDHXBHEBHF-MYRCLWJWSA-N 416.352 7.249 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)cc1 83309591 DOWHSSWYWLICMY-XQNSMLJCSA-N 411.545 6.681 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1 113832661 FTRMUJZDDSHFOO-ZHZULCJRSA-N 423.946 6.538 10 40 HKCB CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 680671 XFLFVJYURQABLE-JCMHNJIXSA-N 414.461 5.318 10 40 HKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2)SC1=S 2856409 AIQUHNLEGRXCFX-HKWRFOASSA-N 413.564 5.064 10 40 HKCB COc1ccc(OC)c(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)c1 8472727 YXJFVGLRRUTVNC-LZYBPNLTSA-N 409.294 5.093 10 40 HKCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=O)cc1 20238544 MEJMCNPTNNOYTO-RGEXLXHISA-N 424.522 5.774 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219330627 YCORUCXNBJTBSD-JYMRHQFYSA-N 408.586 5.575 10 40 HKCB Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)oc2ccc(F)cc12 6804343 VEDAABDGFYVXHS-UHFFFAOYSA-N 406.457 5.382 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9188549 LQUZVUCYHBIPKN-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 408986984 UGJYLDGBTNVWGP-XDJHFCHBSA-N 417.892 5.916 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S 1183143 KQAGOAXFVFUWHS-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB CCCCOC(=O)c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 6901861 BVVDOUYJSYMDOW-UHFFFAOYSA-N 413.473 5.030 10 40 HKCB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215967 TVDGONDTPAVSRV-IIBYNOLFSA-N 412.898 5.358 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 13553063 ZXQVEPXPKIJYQR-RKVPGOIHSA-N 405.133 6.038 10 40 HKCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1 15011556 HSWANJMVRCZQSF-LDADJPATSA-N 407.472 5.051 10 40 HKCB Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(Cl)c2cccnc12 20265756 AVMAPEYTCJBJBG-LJQANCHMSA-N 422.834 5.034 10 40 HKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1c(C)noc1C 70453915 VDEQHYDOMMRTBM-UHFFFAOYSA-N 401.466 5.568 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 169620943 NDNSCLBAKMRQSJ-CZIZLABSSA-N 418.673 7.492 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21 208222811 OFYFIKHODNHJEZ-RANIVTSPSA-N 424.541 5.784 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)cc1 219864626 LWHGUYCSTPMIHJ-QFIPXVFZSA-N 419.613 5.325 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408891860 DADNWBCFNFAIAO-ATVHPVEESA-N 416.304 5.569 10 40 HKCB CN(C)c1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 1446358 SFZJKRIWSAYVGE-QHCPKHFHSA-N 405.448 5.115 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222970338 KHILJFMITDYXFA-URXFXBBRSA-N 408.586 5.575 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260769319 LMPKRBGLNRKLDW-NLSFWIRASA-N 402.567 5.387 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 408903576 ZXVDHJXTPWMYTM-DEDYPNTBSA-N 406.532 5.206 10 40 HKCB COc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccc32)cc1 409207050 ZNBJDRKZQXOBAZ-JJIBRWJFSA-N 424.500 5.246 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 1103706 SWWFRDMIQMINGI-PDGQHHTCSA-N 423.515 5.182 10 40 HKCB CSc1c(C(=O)Nc2ccccc2Cl)ccc2c1C(=O)c1ccccc1C2=O 4452334 DIGRTRSADDDNQP-UHFFFAOYSA-N 407.878 5.090 10 40 HKCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 12032588 VHLAUQSHFAWTLK-KQGZCTBQSA-N 424.330 5.021 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1OC 15231214 QHKRNTNTOBKPPY-XMHGGMMESA-N 423.940 5.957 10 40 HKCB CCCCCCc1c(C)c2cc(Cl)c(O)c(CN3CCC[C@H](C)C3)c2oc1=O 20266627 YTXMQFMTPUVPAO-HNNXBMFYSA-N 405.966 5.815 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)C1 218540685 ZLBJQJCNCBJTLR-NHCUHLMSSA-N 406.614 6.030 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)cc1 408599864 NDMJDOPGFKTKBD-DEDYPNTBSA-N 413.564 5.526 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408766886 UFZSCLYTRADQNH-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 408902469 ODTFUSAQWDPZBG-HYARGMPZSA-N 418.587 6.117 10 40 HKCB CCc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1 409059881 OYWLDDMWIMSDON-BOPFTXTBSA-N 416.304 5.433 10 40 HKCB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1 3390386 QYWCLTUFELLCRK-UHFFFAOYSA-N 418.537 5.595 10 40 HKCB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(N2CCCCC2)cc1 10113096 WWPURCVMYADZRH-UHFFFAOYSA-N 423.409 5.533 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccn2)SC(=S)N1c1ccccc1F 12538127 FNKNTUMJCZCZRG-DEDYPNTBSA-N 422.506 5.206 10 40 HKCB CC(=O)Nc1ccc(/N=N\c2ccc(/[N+]([O-])=N\c3ccc(NC(C)=O)cc3)cc2)cc1 100368340 BRIVSOJUIFMMLK-LYJPHZJBSA-N 416.441 5.945 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618067 QHGRVZVSWPJEFD-NTUVXCKYSA-N 416.594 5.695 10 40 HKCB Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3ccccc3O)c2O)c(C)c1 254624545 JSSROCUNTZVPCI-UHFFFAOYSA-N 411.461 6.536 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc2c(c1)OCO2 408986639 RUAHGMFWMLRKBA-LDADJPATSA-N 401.849 5.540 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c1 409328754 ATDNUDJUPJKXSM-OQLLNIDSSA-N 412.388 6.121 10 40 HKCB CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N 712191 OHUZQZFTMGBBOY-UHFFFAOYSA-N 404.491 5.398 10 40 HKCB O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(Cl)c1 4599530 CJTDRRCYTZNPER-NTUHNPAUSA-N 400.739 6.053 10 40 HKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cccc2ccccc12 13549101 CWZRTQVXLQFZAV-UYRXBGFRSA-N 406.283 5.321 10 40 HKCB CCc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 15133526 SXNPGRVQWLCHNC-RQZCQDPDSA-N 423.390 5.827 10 40 HKCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 16102023 QEKATLWSRRGBCO-ZSOIEALJSA-N 410.098 5.562 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 20680581 SOELNBRTBGOSRU-QWQRMKEZSA-N 401.260 5.192 10 40 HKCB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 1181477 UCBGDPKECSAXNF-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 103918456 DBQONGVPGPOACQ-ULJHMMPZSA-N 418.516 5.224 10 40 HKCB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486849 SCMJVIXUSKAJOR-CVDCTZTESA-N 421.884 5.082 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(Cl)cc2)cc1 408757163 VDUMBMOABISMIZ-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O 12345783 FKWCJQVTASGOAA-WQRHYEAKSA-N 403.956 5.761 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC 16692873 UZIKEUJAFYGVJY-MOSHPQCFSA-N 413.564 5.194 10 40 HKCB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225797439 NZWNNWGOKGIZHV-UXHICEINSA-N 406.570 5.200 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408741003 GIIJWRFXKQBTAX-LCYFTJDESA-N 417.675 6.888 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N1 408878196 XYQSSBGXXMRYPB-JPMUSVJPSA-N 422.440 5.197 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 408985868 NTQTVKOGDBDOGE-LTGZKZEYSA-N 415.920 6.518 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409164114 CNVZCLZYBYIMIE-SOZUMNATSA-N 408.712 6.260 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c3ccccc23)SC1=S 409330834 MFEFXAYBMKQXKW-DEDYPNTBSA-N 407.516 5.263 10 40 HKCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 1092231 PQOPJNYNHNDNJM-UHFFFAOYSA-N 412.850 5.266 10 40 HKCB Fc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1 1797799 HJXAQIQGYFHSQE-UHFFFAOYSA-N 406.464 6.368 10 40 HKCB Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c(O)c2n1 3634563 XFEWMVHDNGEETH-NRFANRHFSA-N 410.304 6.152 10 40 HKCB O=C(O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 4168349 OYQYAHPUBRQEQE-HWBMXIPRSA-N 413.542 6.504 10 40 HKCB CCN1C(=O)/C(=C/C=C2/Sc3ccc(-c4ccccc4)cc3N2CC)SC1=S 100199149 MHCSYPJEEZMWRW-ZEDXCMECSA-N 424.616 5.891 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 102992481 RHPWFSMGWWBNSF-KCWFYHRYSA-N 411.672 6.087 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccc(F)cc1 408845426 WPCMJLCEBKBLGY-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 1194348 ZAHILMKREZFVAI-BKUYFWCQSA-N 421.543 5.258 10 40 HKCB Cn1c(-c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2O)c2ccccc21 23203369 RJORGMZQWYTEET-SANMLTNESA-N 405.501 6.147 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222785406 SAQFTYPXYKOGFT-LEWJYISDSA-N 410.974 5.135 10 40 HKCB CC1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)CC1 634562 WKMNOOGFBWXMIY-UHFFFAOYSA-N 406.507 5.007 10 40 HKCB biogenic Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1 4480518 TYGJNODRSXMDKD-HMMYKYKNSA-N 416.318 6.229 10 40 HKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 6189980 DZMZLYGUBYBUBG-UFPGJGBJSA-N 401.937 7.054 10 40 HKCB Cc1ccc(COc2cccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c2)cc1 33600345 DCPFLNXHPWMSEY-FYJGNVAPSA-N 421.543 5.568 10 40 HKCB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)cc1 44086318 LSQCNEBRAXHQCJ-UHFFFAOYSA-N 413.546 5.638 10 40 HKCB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C12Nc1cccc3cccc(c13)N2 49947086 QGWUJYDMJLBPCO-UHFFFAOYSA-N 411.892 5.730 10 40 HKCB O=C(O)CS/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 97998087 VNNQLMKBMJHDFE-XSFVSMFZSA-N 410.564 5.603 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1 214080909 VTQFJBNOTGMINA-FYJGNVAPSA-N 422.937 5.984 10 40 HKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1 224252960 CSJIHKDGLLQXGO-DQEYMECFSA-N 424.573 5.666 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486909 IJRHJQJXMMJUEF-HTAPYJJXSA-N 410.857 5.280 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2cccc(C)c2)cc1 408762919 CNCKHYYPBGAMNN-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 409097478 MJXUBXSBGYVDJO-JMIUGGIZSA-N 415.345 6.486 10 40 HKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)c1OC 409164962 QFPSIJRLMMMUTL-SEDUGSJDSA-N 409.835 6.203 10 40 HKCB CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 4471080 YBZQULKZGNQBAU-LZYBPNLTSA-N 410.347 5.403 10 40 HKCB CC(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 4549769 PZKUCBHLMLISTD-UHFFFAOYSA-N 412.327 6.047 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096038 PSBDHIZEENHVBL-RQTOMXEWSA-N 403.978 7.459 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 7096864 VGZHEOKJWIRQQQ-IECBHUPTSA-N 402.881 6.742 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/N(Cc1ccccc1)c1ccccc1 101148643 GIFYSFZQQFHJRH-HAVVHWLPSA-N 401.897 5.653 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCCC2)cc1 225696496 PKWFHAIEXGOZDD-GOSISDBHSA-N 409.599 5.656 10 40 HKCB Cc1cc(Cl)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 408952107 VJJLWFFTERQJRT-UHFFFAOYSA-N 418.718 5.886 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 409151564 HEIPQQXXFHDGGO-BWACUDIHSA-N 405.679 5.837 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(C)c2)SC1=S 1180078 GTHUNVSMTDUPQQ-WQRHYEAKSA-N 403.956 5.449 10 40 HKCB CCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]1C 1299189 KSIZUTVDJYRPBL-KDTOMHBFSA-N 409.618 5.008 10 40 HKCB CCN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 2565294 FWCVLPAORZTENJ-FBMGVBCBSA-N 418.996 5.502 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccccc1 3035984 VSGIKDVLMIYLKP-RCCKNPSSSA-N 403.528 5.671 10 40 HKCB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 5138549 IOMORKXSGAVMCQ-DXGGMCDASA-N 400.935 5.320 10 40 HKCB CCCCOC(=O)CCCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 5214730 FPGQUOUTWZBKKH-OBGWFSINSA-N 421.584 5.436 10 40 HKCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 5371486 QGUFIWNRNMCJKK-OQLLNIDSSA-N 412.363 6.253 10 40 HKCB O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(N/N=N/c3ccccc3)c21 8854922 RWZXLFNRYYSRIQ-UHFFFAOYSA-N 424.504 6.317 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 13590547 HUJYBDLEDPBIRX-LPMFXHHGSA-N 421.709 6.080 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)cc1 408763751 QPRGUXPZZYUVEK-KGENOOAVSA-N 417.852 5.391 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccco3)C2=O)cc1OC 408766407 QBMDQDJHDIKMJG-SFQUDFHCSA-N 407.853 5.422 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC 409342978 GDHBENUEEJBJFN-XMHGGMMESA-N 405.585 5.408 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409351491 UPBZXAIHYYPITQ-CYUIRQCWSA-N 414.508 5.178 10 40 HKCB Cc1ccc(C2=C/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)O2)cc1 4738883 QKRXJSWJXAPIRP-HZHRSRAPSA-N 405.497 6.288 10 40 HKCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Br)c(Cl)c1 225424356 DZVSGSCKBNLJTN-UHFFFAOYSA-N 424.795 5.189 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(O)cc1 409209540 CGSOZCLBXCSNOM-RGVLZGJSSA-N 424.909 5.694 10 40 HKCB COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc(OC)c1OC 871792 PXIYOTCBALVQRI-QUJCMNEKSA-N 406.309 5.846 10 40 HKCB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1263816 DNSKSLLWLMQALZ-AYSCHJFGSA-N 422.575 5.171 10 40 HKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)c(Cl)c1 7423485 NSYMXPMRRCTHOZ-UHFFFAOYSA-N 410.301 5.264 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 20680584 SOELNBRTBGOSRU-HBUWYVDXSA-N 401.260 5.192 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=O)N=C3O)o2)cc1 59137944 YIRRFERJEBGGNR-FOWTUZBSSA-N 422.437 5.385 10 40 HKCB Cc1cc(C=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 98063962 XXGKWCMFOCMAKH-UHFFFAOYSA-N 412.371 6.137 10 40 HKCB CC(=O)Nc1ccc(/N=N\c2ccc(/N=N\c3ccc(NC(C)=O)cc3)cc2)cc1 100368297 MOHHIDUYBMLZAV-LBXGSASVSA-N 400.442 6.434 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)CC1 219058542 AEJSBKFGHBZCBI-QZTJIDSGSA-N 400.950 5.221 10 40 HKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260735479 JAQGPVMOZJZOLG-HOTGVXAUSA-N 418.006 5.633 10 40 HKCB Cc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 408945963 LYSSTZSTTJGNPP-UHFFFAOYSA-N 418.718 5.886 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC 409342028 BDMSJCXIVXCHCM-ZHZULCJRSA-N 413.564 5.588 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 26771918 HHDZJKDZTMYHPS-CAISPOGKSA-N 418.625 5.914 10 40 HKCB biogenic Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 33767570 DTUQMVFJLNNWRQ-NDENLUEZSA-N 414.477 5.110 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)CC1 44853978 YMXCQIXSBZJUDF-QFIPXVFZSA-N 419.613 5.012 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc(N(C)C)cc1)c1ccccc1 100548277 GQUDYIZSUMQXEL-MNXRNAIKSA-N 407.517 5.642 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3C)N21 260771938 MBESXRNGGBTBMQ-LEOXJPRUSA-N 406.599 5.360 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408763358 SHEPWWDCZKJTFR-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 409029470 AEQXDVSPSZWGBX-UKTHLTGXSA-N 408.370 5.486 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 409155874 DRNJKHXXTYJSSA-QFSBIZTOSA-N 423.669 5.976 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 2436923 MVYKSDWKICSSJV-IUXPMGMMSA-N 419.358 5.891 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6882848 CLGTTXFAJJQEHO-OBGWFSINSA-N 423.575 5.622 10 40 HKCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Br)cc1 6961528 LWIBYYSFVAIFDQ-HXUWFJFHSA-N 412.356 5.553 10 40 HKCB Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)c1Cl 20711450 RYFNMXBLKQIFDF-CGMALJKESA-N 419.566 7.780 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 26771916 HHDZJKDZTMYHPS-NWLCPASWSA-N 418.625 5.914 10 40 HKCB biogenic CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 225655377 GBVYCBBHNDYSKE-OAHLLOKOSA-N 405.970 5.763 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260624893 WCIYSNIEFKPJSW-JYMRHQFYSA-N 408.586 5.575 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260753064 BCYIWDLIGMDTMR-DQMJNTIXSA-N 416.594 5.695 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408761968 IJALCIKICFDKBM-XSFVSMFZSA-N 403.825 5.083 10 40 HKCB CC[C@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2OC)CCO1 3999356 MYSHNZYNVKLJHA-CLJLJLNGSA-N 410.602 5.158 10 40 HKCB biogenic O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccc(F)cc1 9310323 AHRPISANOLAELU-HYARGMPZSA-N 415.514 6.538 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10215996 FTZPGFNNZGFBAR-AUSIDOKSSA-N 421.884 5.082 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219611439 QYPORUBECOJKEB-STSQHVNTSA-N 414.977 5.611 10 40 HKCB CCn1c(Cl)nc2cc(C(=O)NCc3cc(C)n(-c4ccccc4)c3C)ccc21 222564264 DTMHPYYSAAAZMZ-UHFFFAOYSA-N 406.917 5.047 10 40 HKCB Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)sc3c2)c(C)n1-c1ccccc1 225985744 YXYLLBYPPUDADK-UHFFFAOYSA-N 409.942 5.629 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)c1 409162633 GNJQTNSUXBTVGQ-CZIZLABSSA-N 406.225 5.636 10 40 HKCB Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 409230770 GIGVSUYDIFMKIW-LFVJCYFKSA-N 421.500 5.091 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409237113 JBWSZZOASPPWPK-JLPGSUDCSA-N 409.464 5.635 10 40 HKCB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 1057362 BLGIISYJGKGZFY-UHFFFAOYSA-N 416.437 5.030 10 40 HKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 6614143 ITDSTRRLZYZZAQ-UMFSSWHCSA-N 412.489 6.309 10 40 HKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)c2ccccc2N1c1ccccc1 13148055 ZILQUDKMKVGRFF-NDENLUEZSA-N 415.290 6.149 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)cc21 260784152 VBWPSUMULGCJGI-GOTSBHOMSA-N 420.626 5.342 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@@H]32)c1 408782012 GFRRTORMIUFRAF-ZQIUZPCESA-N 418.234 5.026 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC 409345698 IYNFATDKDBVSIG-XSFVSMFZSA-N 413.564 5.588 10 40 HKCB Cc1ccc(N(Cc2c(O)ccc3ccccc23)Cc2c(O)ccc3ccccc23)cc1 1681081 ROGYLTUEXXMTSG-UHFFFAOYSA-N 419.524 6.919 10 40 HKCB O=C1/C(=C\c2ccccc2)SC(=S)N1C1c2ccccc2Oc2ccccc21 1818415 YARPHPIBFXBZCH-XSFVSMFZSA-N 401.512 5.783 10 40 HKCB C[C@@H]1CCCCN1c1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 2365285 XLOCOLHDSOQLRT-MRXNPFEDSA-N 409.489 6.162 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9188706 WHZCYEQMWVXWIG-DBZAVIBRSA-N 401.556 6.316 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 11859510 NDNSCLBAKMRQSJ-RLFDGXBXSA-N 418.673 7.492 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 14549133 QTQCNKDVWXTWFP-FMGHJNRGSA-N 419.524 6.996 10 40 HKCB COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 37170881 JBXVRVRKPUWPJU-SIFCLUCFSA-N 400.316 5.601 10 40 HKCB CC(C)Cc1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 85875919 GYLVZKRHQPKTGC-UHFFFAOYSA-N 409.486 5.129 10 40 HKCB biogenic CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC)c1C 222792711 DKVIBVLQSVZHKS-ISKFKSNPSA-N 418.610 5.352 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222964403 ZSTMKSZYOATOFM-DHIUTWEWSA-N 422.573 5.401 10 40 HKCB COc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 408736240 NKPSGRXOTMTEJO-RNHFSVANSA-N 414.461 6.222 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 408830205 OPWSLAFJQSNDHC-HMAPJEAMSA-N 418.518 5.339 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409339145 FFXPYIJKHZVSAR-RNEAKCBISA-N 403.956 5.923 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2[C@@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4321191 SFQKUKBSPUOLCV-IRWGICDTSA-N 420.512 6.642 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4873254 KOLACZLVBICEFL-LXGSUHORSA-N 417.509 5.436 10 40 HKCB O=c1oc2ccc(/N=N/c3cccc(Cl)c3)cc2cc1-c1nc2ccccc2[nH]1 9187267 YRLJLGGBLCJYRD-CYYJNZCTSA-N 400.825 6.405 10 40 HKCB Cc1ccc2ccccc2c1CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 16348894 AAEYGUSWOJLTAW-UHFFFAOYSA-N 410.900 6.361 10 40 HKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 33436368 OURSTCPLOUBCMT-YBEGLDIGSA-N 419.308 5.597 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(C)c1 59459826 FDUSZKQFUUNXIT-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 101700161 DQXWFOCJQYKYMF-IEUDEEBGSA-N 406.957 6.181 10 40 HKCB CC(=O)N(/C=C/C=C/C=C1\SC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 2072489 FPCSFEIRRCDMQE-AGQNFSGRSA-N 420.559 5.054 10 40 HKCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 2247398 CRXUEBGTKJDOOK-AUWJEWJLSA-N 400.739 6.053 10 40 HKCB CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 5867864 UJEXIJUHABEMGO-XSFVSMFZSA-N 413.564 5.276 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3cccc4ccccc34)cc2)CC1 222677359 DRELKOJRPQVAER-NRFANRHFSA-N 400.566 5.886 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(F)cc2)cc1 408756137 XVBKPOMLKWJNFS-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)SC2=S)c1 409332426 RLHIGONKFJOFBS-HMAPJEAMSA-N 419.571 6.341 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409351494 UPBZXAIHYYPITQ-FDIDITGRSA-N 414.508 5.178 10 40 HKCB CCN1/C(=C2\SC(=S)N(c3ccccc3)C2=O)Sc2ccc(Cl)cc21 2565314 XLRKRNRDAMJPMD-BMRADRMJSA-N 404.969 5.506 10 40 HKCB CCOc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 58928781 VSZQYIPRQBIHBG-GJYPPUQNSA-N 414.299 5.373 10 40 HKCB O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccc(Cl)cc1 83306051 FGRYMPXYACGZIU-LDADJPATSA-N 424.934 5.039 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 101147829 CJDVXNWSHASYPB-SDUJRDBPSA-N 403.909 5.933 10 40 HKCB CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 108149717 ROAPKVMCQPAHHN-RTBURBONSA-N 409.530 5.272 10 40 HKCB C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 225324316 YYVXBWPFFADGDA-UXHICEINSA-N 406.570 5.058 10 40 HKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1ccc(Cl)cc1 260771995 MCQILKKTWIFFSG-GQWLDOHISA-N 408.958 5.423 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)SC1=S 409328609 YREAEEROKSCLAI-LICLKQGHSA-N 402.497 5.083 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 1796007 NDNSCLBAKMRQSJ-WVQJBOLRSA-N 418.673 7.492 10 40 HKCB CCOc1ccccc1N1C(=O)/C(=C\c2cccc(Cl)c2)N=C1c1ccccc1 5953823 BHEOPBKCCLBOBU-CAPFRKAQSA-N 402.881 5.573 10 40 HKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)n1-c1ccccc1 225030820 DNZYPCCASDVOGR-PKTZIBPZSA-N 402.567 5.096 10 40 HKCB CCSc1c(C(=O)Nc2ccc(C)cc2)ccc2c1C(=O)c1ccccc1C2=O 4452345 SPFKYJCZHXFNBE-UHFFFAOYSA-N 401.487 5.135 10 40 HKCB CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)c2c1N 4746771 HALVEWYLZSFWFL-UHFFFAOYSA-N 418.518 5.706 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 5371400 FHVLHRGXHJUQIV-ZHZULCJRSA-N 413.564 5.452 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5478296 XFGYWZZFLOUEQF-BKULYWANSA-N 412.599 5.103 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 6963500 PZLDAQINPUZQOK-WOVHNISZSA-N 401.550 7.253 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)ccc1Cl 6969845 NAHWCBGHNHDIFX-JCGVRSQUSA-N 405.679 5.837 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 9188372 RNQXJXKUOVQJPF-JWGURIENSA-N 416.571 5.825 10 40 HKCB CCOc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1OC 33927634 DHMXTJYYOBQBHT-CXUHLZMHSA-N 415.283 5.146 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 35038973 AKSKAXKIZAPFQZ-XMHGGMMESA-N 413.564 5.452 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408772879 NTAUBTFNWUEWLS-GJFKPFFXSA-N 417.578 5.565 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1CCCc1ccccc1 409125214 LIGRYRNURFGZKN-OQKWZONESA-N 424.541 5.485 10 40 HKCB O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc2c(c1)OCO2 409326883 FWZUAYKURIGANK-MKMNVTDBSA-N 410.303 5.128 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)S[C@@H](c2ccccc2O)N1c1ccccc1F 32598128 KSRZBLULSDLWFW-WLJFKGHSSA-N 411.885 6.004 10 40 HKCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 100552387 IGZRDZHQRCDCFC-ATVHPVEESA-N 406.511 5.030 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F 112125805 CNIMEMSSBAUVFK-RGEXLXHISA-N 403.404 5.474 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1 208224432 TYCGSDQNOVQSMK-FPJJECCMSA-N 417.553 5.118 10 40 HKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408757898 RYGPTFUWQNGRMY-QRVIBDJDSA-N 402.473 5.051 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408892243 HPEDKKZGYVTWMF-WJDWOHSUSA-N 402.277 5.179 10 40 HKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409335643 XYPOKYXWJHPEPX-VCHYOVAHSA-N 414.508 5.035 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 409348137 RQOMGLFTMRKXPS-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 2156451 FGLAMWYJYRUOOO-BFLUCZKCSA-N 406.570 5.041 10 40 HKCB biogenic COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 14413813 TYVRNXLAWFGYOR-YBEGLDIGSA-N 417.889 5.078 10 40 HKCB O=C(Nc1ccccc1Oc1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 40150525 XNYXJWPJRUOKPB-OAQYLSRUSA-N 418.493 5.398 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1C 222617790 UXNGAPJDRYFUTG-PKKBDPGCSA-N 416.594 5.695 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222746584 CXMCGSZFMLKINP-SFTDATJTSA-N 410.974 5.053 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Cl)c1 408757989 FINQEKFZHGUOBC-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408763793 OYFHAQWUAGILSD-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(CC)c4ccccc43)c2C)cc1 409197813 PLDZNQKDTLTRRL-XQNSMLJCSA-N 414.505 5.178 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 409329115 CTEXMRZPMBNBLV-NDENLUEZSA-N 423.490 5.694 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCC[C@@H](C)C1 1340054 QACNWQHIJLJTLS-MRXNPFEDSA-N 405.995 5.210 10 40 HKCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 26593434 KOOJNIQRSIDFKG-KBFOAYOGSA-N 419.293 5.283 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(F)cc1 222614099 DBJXPRWGCJHYNF-ARBPTSGCSA-N 406.530 5.218 10 40 HKCB Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 72332664 OYCXZFRTWJVAOT-DENIHFKCSA-N 411.288 5.941 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 224038527 XMYFZVHSFLBGFI-NHCUHLMSSA-N 408.586 5.438 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(Br)c2)SC1=S 408601423 JTGIYHYQEFXUKJ-DHDCSXOGSA-N 414.390 5.095 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 408765439 PPISRBBXUCDRLZ-KGENOOAVSA-N 406.844 5.322 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(Cl)cc2)cc1 408996459 PEVVYRZHFYJVCG-RCCKNPSSSA-N 418.880 5.192 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916052 PGSCVRYPLPSIOE-MYJNHVFWSA-N 423.641 5.510 10 40 HKCB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219377289 VYPHDNNYUSYLNM-ZYKOEDHHSA-N 408.586 5.575 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(F)cccc1Cl 408769566 OBUHVGQXUGDJFZ-LDADJPATSA-N 413.876 5.363 10 40 HKCB Brc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1 7097713 LOHXGVJBQOWZHN-XJUOHMSHSA-N 402.335 6.943 10 40 HKCB COc1ccc([C@@H](O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 30822812 XEGBTXNOUDRBGS-GJQPQMNHSA-N 410.857 5.617 10 40 HKCB [N-]=[N+]=NCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 97965331 QQRLPINOIZKSRR-RILPJZFCSA-N 407.424 5.398 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 100510949 YGVFZSCZNYZLID-FTGFMQHASA-N 409.902 5.647 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccccc3)=NC1=O)[C@H](C)CC(C)(C)N2C 208231371 AYMKFDWYKWUKNE-RDPIHGLISA-N 405.567 5.799 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Cl 222614391 VKKDAGRGHICLNA-ARBPTSGCSA-N 422.985 5.732 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223599986 SWCMXFJRWXHQSR-WWJLXRQJSA-N 415.581 6.302 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(Cl)c2)c1 409091670 SWJDRNOXAGNYSK-HZHRSRAPSA-N 402.881 5.725 10 40 HKCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 9188543 FJWOLZUWKXIJOC-AUWJEWJLSA-N 418.729 6.192 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)cc1 13779081 DGFBEHNNOLINPG-SKBVVQJISA-N 410.577 5.540 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 13880075 LDOSGKZCHLLBDZ-HAHDFKILSA-N 402.881 5.725 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1 35073754 QJAOZQZAFIWZEZ-MOSHPQCFSA-N 423.946 6.538 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2C(C)=CC1(C)C 208503670 LVQYFNAGJYVYQF-STZFKDTASA-N 403.551 5.791 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 218043455 HFIOYLGUCIHXFL-SFHVURJKSA-N 417.018 5.687 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219330584 YCORUCXNBJTBSD-QLWBXOBMSA-N 408.586 5.575 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 4081960 SRKNHXLBHAHSOC-RLFYNMQTSA-N 410.233 6.174 10 40 HKCB CC(=O)N(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4786038 FLVINGVDMBUNPL-AZGAKELHSA-N 422.613 5.480 10 40 HKCB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 7844889 UCESGUVKHYBFNM-UHFFFAOYSA-N 419.525 5.846 10 40 HKCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1 12042501 YLSVGZIWBLYTHI-DEDYPNTBSA-N 423.299 6.592 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 100322605 LIFVZYNSRJDMGV-HMMYKYKNSA-N 424.422 6.552 10 40 HKCB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 107578123 DEQRKANJJXXFEK-VMODYCNZSA-N 423.512 5.563 10 40 HKCB CC(=O)Nc1ccc(N=Nc2ccc([N+]([O-])=Nc3ccc(NC(C)=O)cc3)cc2)cc1 245238856 BRIVSOJUIFMMLK-UHFFFAOYSA-N 416.441 5.945 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 409218183 ZBXRUCDKLWEBIW-NDENLUEZSA-N 408.910 5.988 10 40 HKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 2169873 PHUUQWBXVRTFKW-UDWIEESQSA-N 419.458 5.190 10 40 HKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 4975146 ZFMVEDMTPKHEJC-UYSIFFEZSA-N 404.691 5.658 10 40 HKCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 5174086 LPRJQLIUDBUOPH-HMMYKYKNSA-N 414.892 5.770 10 40 HKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc(Cl)c3)c2C1 6792332 VAAIORSBFRYHDW-ZDUSSCGKSA-N 414.730 6.325 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 8092245 XOQFLVXELCSIFR-LIBAHTEVSA-N 408.712 6.260 10 40 HKCB COc1ccc(-c2nc(CSc3ncc(-c4ccccc4)n3C)cs2)cc1OC 10087962 VRFZSOMPFHCYJC-UHFFFAOYSA-N 423.563 5.520 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2oc3cc(O)ccc3c2Cl)SC1=S 26779596 BGJQGOFADUKWBU-MTUBTWAWSA-N 415.923 5.754 10 40 HKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113830600 ZDHCUGXDKNSAIZ-RIYZIHGNSA-N 410.398 5.019 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618252 QHGRVZVSWPJEFD-NWVWQQAFSA-N 416.594 5.695 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 408935331 CUJGYEGTXQTRFP-HZHRSRAPSA-N 402.881 5.725 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 408985573 NAXMAJQBYIOMSM-CPNJWEJPSA-N 416.864 6.028 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 409329180 DOKJUFBBPWPZPE-JMIUGGIZSA-N 422.531 5.186 10 40 HKCB CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N 714294 MPWUIKBEKGEOFZ-UHFFFAOYSA-N 414.939 6.104 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 3999525 CJDVXNWSHASYPB-WPUDHWPRSA-N 403.909 5.933 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C 4664752 CHCPUPHEROWFJK-HZHRSRAPSA-N 412.489 5.389 10 40 HKCB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1 102727865 USRWMENNSRWMLN-QRQCRPRQSA-N 418.449 5.011 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4)c3C)N21 222694474 UHLHHCVTYCLMRD-YFXJRYMSSA-N 402.567 5.469 10 40 HKCB C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 225663523 YTRXBOHGKIMQHE-OAHLLOKOSA-N 407.505 5.743 10 40 HKCB Cc1cc(CN(C(=O)c2ccc3oc(Cl)nc3c2)C(C)C)c(C)n1-c1ccccc1 225982523 WAVHGHAFWCTYNZ-UHFFFAOYSA-N 421.928 5.940 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)c1 408756437 RUVOQTFTXQFSOW-UDWIEESQSA-N 416.864 5.212 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5214096 CLGTTXFAJJQEHO-SDXDJHTJSA-N 423.575 5.622 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 6626581 CNIUBIODLOPXJE-RCCKNPSSSA-N 423.607 5.067 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4)cc3)cc2)C1 44854983 QRULUJQEAMSRMI-LEWJYISDSA-N 405.586 5.010 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1 222614832 JRLMYGAEZKJJQI-RXYZOABWSA-N 422.985 5.732 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1C 222617973 UXNGAPJDRYFUTG-DPSWKAHMSA-N 416.594 5.695 10 40 HKCB C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225668297 FXZKYCKXLHQPQO-CVEARBPZSA-N 421.532 5.989 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409151241 FUEKARHAJWFDSS-JQYIIUTOSA-N 401.550 7.253 10 40 HKCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409334424 XSLGXQDXBOBWPA-NVNXTCNLSA-N 424.330 5.186 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)SC1=S 3170405 ATSQEZVCHAKUOA-YBEGLDIGSA-N 421.385 5.078 10 40 HKCB O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21)N1CCCC1 15218045 UNOROEPJHJHSTA-DBXWQHBBSA-N 423.354 5.512 10 40 HKCB Cc1ccc2ccc([C@H](Nc3ncc(Cl)cc3Cl)c3ccccn3)c(O)c2n1 46085516 XWSINNGIBFZYPR-IBGZPJMESA-N 411.292 5.547 10 40 HKCB CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 102925216 YDIFIVSADURCOA-SANMLTNESA-N 417.597 7.021 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 217981919 ATEOVVAHKDWIPH-QGZVFWFLSA-N 402.991 5.546 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc21 222589322 QSWQCCJEYSCPKF-KNXBSLHKSA-N 404.583 5.303 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 408736065 CQRKRZPLFMDOSC-VKJFTORMSA-N 405.133 6.038 10 40 HKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 6993356 LATGLVLQMQWZQS-CQSZACIVSA-N 414.962 5.346 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2)cc1 13041972 IABPJUBGSSDZKK-JCMHNJIXSA-N 400.503 5.656 10 40 HKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccccc1 15227419 DHZZTGGCNLIZDM-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)c1 48354688 AYJFSLJYVAYUOJ-UHFFFAOYSA-N 406.555 5.181 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253497739 AFLVJSJCGOFTTI-ZREJJHDXSA-N 407.642 6.540 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Cl)cc1 408764620 UZDFFTFOFXAPJT-KGENOOAVSA-N 416.864 5.181 10 40 HKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cccc(Br)c1 409051771 GDDKEHZLBUTVSX-DEDYPNTBSA-N 403.275 6.097 10 40 HKCB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 2338428 PDFUIKBCDSPESJ-ZHZULCJRSA-N 405.500 5.590 10 40 HKCB Cc1ccc2cc(C3=C/C(=C\c4c5ccccc5cc5ccccc45)C(=O)O3)ccc2c1 59472381 YKPTUPSVCTXHFM-KOEQRZSOSA-N 412.488 7.436 10 40 HKCB CC(C)(C)c1cc(C/N=N/C(=O)CN2Cc3ccccc3C2=O)cc(C(C)(C)C)c1O 100912973 RPKRZEJWMNASBO-CYYJNZCTSA-N 421.541 5.122 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc21 208195442 JOSCSZPAZOPLPJ-FAPYRAKZSA-N 409.530 5.630 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 225655680 INPLPIHYWHKOEA-INIZCTEOSA-N 421.532 5.989 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 2119957 UPJHDYBFFSDAOY-UDWIEESQSA-N 413.518 5.086 10 40 HKCB C[C@H](OC[C@@H](O)CN(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 6082913 PCQAVHYILBMYFS-MBSDFSHPSA-N 417.977 5.319 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc21 13769798 UCGNZTZCGQPFMS-IUXPMGMMSA-N 402.903 5.377 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1 33739026 VFWOXVTXCCGGIQ-JCMHNJIXSA-N 400.503 5.656 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S 408601531 KLGSDBFGNNSDCB-YBFXNURJSA-N 413.470 5.939 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccc(C)cc2nc1N1CCCCC1 21581182 QUHAOQRSSOXKLW-QJOMJCCJSA-N 410.521 5.340 10 40 HKCB CC1CCN(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 107908986 LKJDMVXOVPRWMC-UHFFFAOYSA-N 420.516 6.353 10 40 HKCB CCN1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208306420 GEJDGYNSGOCFOI-QAIWHXNASA-N 422.619 6.205 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409329018 CFSCXGPZOXIWKQ-XSFVSMFZSA-N 413.564 5.276 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)CC 409348252 RUAHGHJCYJAHEN-NPQOUYBPSA-N 413.564 5.668 10 40 HKCB CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(N(C)C)cc1 2223983 OFJLBEIZAZLDCG-SANMLTNESA-N 410.602 5.718 10 40 HKCB CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1 4739398 MOZUHRURYYUFFI-SILNSSARSA-N 407.941 6.338 10 40 HKCB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)cc1 5201225 VDGMKWYSFIMGHQ-YRNVUSSQSA-N 400.706 5.101 10 40 HKCB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 12584570 GMYTVAOJQORCLP-NTCAYCPXSA-N 405.567 5.349 10 40 HKCB COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18193423 PRDTZVVKUTZAPD-HAHDFKILSA-N 407.473 5.007 10 40 HKCB CCCOc1c(Cl)cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OCC 96669662 QPJFCYQVCYKXAN-SFQUDFHCSA-N 408.951 5.030 10 40 HKCB C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225669297 CRLCNDBKSARKDT-CABCVRRESA-N 405.970 5.763 10 40 HKCB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1cccc(F)c1 5226038 KIWIGVVOTJPIBZ-UHFFFAOYSA-N 413.499 5.320 10 40 HKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096075 RNSCSHGUBZRHLT-UMEGOILYSA-N 414.530 6.714 10 40 HKCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 12412855 TXQFJFZRZGWYPG-MLPAPPSSSA-N 409.656 5.151 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1 16790862 ICSJZAWNONFROG-PDGQHHTCSA-N 403.956 6.134 10 40 HKCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1 44085647 FRXHYUIUHNHOFI-UHFFFAOYSA-N 416.344 5.063 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219393448 VKAAISMKJDIDEC-RTBURBONSA-N 402.538 5.576 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222688541 BLDKGCBTQNKUMA-VSDWSMLSSA-N 424.614 5.306 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408984468 HLWOEXQARHWMMT-CPNJWEJPSA-N 406.312 6.773 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 5148403 BCYLGMCDRWDCON-GNKBHMEESA-N 424.560 5.180 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1Cl 7097201 VGZHEOKJWIRQQQ-GLDPYIMESA-N 402.881 6.742 10 40 HKCB COc1ccc(/C=C(/C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 13669879 DSFKTKLCHRFMEJ-LGUFXXKBSA-N 412.533 5.152 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 14011367 DPQTWHLEYZRVDA-LFVJCYFKSA-N 406.489 5.448 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21 17221938 FHCJBAWEUMKLHQ-LZYBPNLTSA-N 401.876 5.051 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccccc1 20523057 QCMRSOZFOXIOES-KGENOOAVSA-N 421.518 5.811 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618131 QHGRVZVSWPJEFD-GLYQVZKVSA-N 416.594 5.695 10 40 HKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225664036 NVFULVVJLKOYBF-HNNXBMFYSA-N 403.979 5.387 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 409020629 RHAPUMFXGKXVPA-ZGXHQARYSA-N 402.947 5.891 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 409166875 GWTUXWUFKLTHHX-QFSBIZTOSA-N 413.117 6.722 10 40 HKCB CCCCCCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C(O)=NC1=S 2412125 GBDRURYUEYYUPK-LVZFUZTISA-N 413.587 5.114 10 40 HKCB CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O 4675727 OSXIKGXXIUALRA-JCMHNJIXSA-N 408.567 6.198 10 40 HKCB CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 5259967 PGDYHUZLMOJXCV-UHFFFAOYSA-N 423.534 5.287 10 40 HKCB CN(C)c1ccc(/N=N/c2n[nH]c3nnc(-c4ccccc4)c(-c4ccccc4)c23)cc1 6247466 TWFSHZIONXGODW-BYCLXTJYSA-N 419.492 6.168 10 40 HKCB CCOc1cc(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(C)cc1OC 6958478 DPWKQTOHCSGBRE-HXUWFJFHSA-N 421.628 5.144 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 12273943 WAZAUTPHLQUNFY-IVRZWDCSSA-N 415.923 5.222 10 40 HKCB Oc1c([C@H](c2ccc(Br)cc2)N2CCCC2)cc(Cl)c2cccnc12 21673443 YALZROWWBROHGY-IBGZPJMESA-N 417.734 5.542 10 40 HKCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219302496 UZXHMVNMUYJEMR-YHYVQYDKSA-N 408.586 5.493 10 40 HKCB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408801950 XGWASZILOASNPV-UHFFFAOYSA-N 418.542 5.174 10 40 HKCB CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856836 AGYVFTAWGSGZBJ-HHHXNRCGSA-N 422.613 5.408 10 40 HKCB biogenic CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccccc1C 1180615 YOBPZKYVVUEBMD-MOSHPQCFSA-N 413.564 5.194 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c1 5371929 NIDWBXAVWZDZPH-SXGWCWSVSA-N 408.331 5.602 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccco1 13976525 ZWDNQFFIQAZPPC-YVLHZVERSA-N 401.896 5.594 10 40 HKCB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219292099 HNRMKWZGYWHOHV-KURKYZTESA-N 400.950 5.221 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 409024837 XQDTXMJDFQBLBE-ZDLGFXPLSA-N 416.304 5.487 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)c1 409345703 IZLHZVXODAMJDG-RGVLZGJSSA-N 424.616 6.350 10 40 HKCB Cc1ccc([C@@H](c2ccc3cccnc3c2O)N2CCN(c3ccccc3)CC2)cc1 1501015463 ZZGALCYCZPTXOI-SANMLTNESA-N 409.533 5.160 10 40 HKCB CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C2CCCCC2)SC1=S 2186148 ZTYUVRKYGLPPML-BMRADRMJSA-N 411.017 5.634 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(SC)cc1 6307886 OFRQWTZPRQPWSF-QNGOZBTKSA-N 415.514 5.439 10 40 HKCB O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 20506474 HECOOGIMGIPIGR-VWLOTQADSA-N 424.456 5.733 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222613278 OFUIIBVNOARHGU-YRUKQIKQSA-N 416.594 5.641 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c1 409327500 KGHWQQFKLFUMPY-RIYZIHGNSA-N 412.388 6.121 10 40 HKCB CC(C)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(C)C)c1O 3075837 LGCCTGSVGMMREZ-UHFFFAOYSA-N 412.349 5.202 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 35043043 OKDGZJIOEMOLTP-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219330518 SWGGILNKBUXHBY-PXDATVDWSA-N 408.586 5.575 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 222672298 ICFLXWXSPFXQJX-BULFRSBZSA-N 422.985 5.814 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408783761 QSBZRLAUIVDYGI-XMHGGMMESA-N 416.864 6.028 10 40 HKCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(OCc2ccccc2Cl)cc1 409052167 GKCYUZAHUABYOW-CPNJWEJPSA-N 406.840 6.039 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1O 409345512 JAGXUEBVEOXWHL-LICLKQGHSA-N 419.955 5.467 10 40 HKCB CCCCN(C[C@H](O)c1cc2c(c3ccccc13)CCCC2)c1ccc(OC)cc1 1700113 ZLSRXRFZFXMABN-MHZLTWQESA-N 403.566 6.067 10 40 HKCB CCCCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1OC 2304646 IMTMLMGHSQUKNJ-CAPFRKAQSA-N 402.560 5.111 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1 4739020 MYBWTJZBJQOPIE-XNTDXEJSSA-N 407.809 5.798 10 40 HKCB CN(C)c1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8835107 YHERWWLHQBYQST-NTEUORMPSA-N 422.359 6.628 10 40 HKCB O=C1N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N1Cc1ccccc1 20238583 IYSHJTHPMZZLBS-AQTBWJFISA-N 410.495 5.207 10 40 HKCB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCC2)cc1 30861104 YIJQBVBJVYCIRQ-UHFFFAOYSA-N 409.382 5.143 10 40 HKCB Oc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 72332597 GUKHASSSDSURRJ-SIKLNZKXSA-N 421.294 5.397 10 40 HKCB CCCN1C(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC1=S 409327608 LLWKFZDQPLTXDM-JCMHNJIXSA-N 419.571 6.030 10 40 HKCB CC(/C=C/c1ccc(N(C)C)cc1)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 4357323 ZSROSRQGXIHPJY-CCEZHUSRSA-N 423.516 5.077 10 40 HKCB Cc1c(Cl)cccc1NC1=NC(=O)/C(=C\c2ccccc2Br)S1 6767354 RYKSZZOJTCMUDN-OQLLNIDSSA-N 407.720 5.493 10 40 HKCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S 12615164 ZKUSORSMIGUWPK-YAFRSCOQSA-N 422.369 5.709 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 13217551 HYIYISKBWYVWBD-JFBLTNLISA-N 414.893 5.054 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 41108652 LNQUJAAYVCLWSI-UHFFFAOYSA-N 401.293 5.531 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 260763025 ICFLXWXSPFXQJX-WTNAPCKOSA-N 422.985 5.814 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(Cl)c3)N21 260784246 VLQXOWIYSFQNQQ-CZAAIQMYSA-N 412.990 5.315 10 40 HKCB CCN1C(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC1=S 408727861 YFCMAZQLVWQCTQ-BCUDMANESA-N 403.916 5.682 10 40 HKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCC1 408735229 MQJJLADUPFVRJZ-UHFFFAOYSA-N 406.489 6.107 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 408738764 NZBUINGYONYNAS-RCCKNPSSSA-N 410.429 5.269 10 40 HKCB CCCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409031235 JLXAHJPXTIJGGF-GXDHUFHOSA-N 424.369 5.367 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccccc3F)c12 409141696 JPURATPWHJNTPZ-ODLFYWEKSA-N 410.539 5.222 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)SC2=S)c(C)c1 409341266 ATOCFLZQFNGEBN-STZFKDTASA-N 408.592 5.618 10 40 HKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C1 3671003 BHRVZJPVMSKAOB-UHFFFAOYSA-N 417.858 6.972 10 40 HKCB biogenic COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCc1ccccc1 4815981 OQILVLJEUFVCIQ-JWGURIENSA-N 422.550 5.121 10 40 HKCB O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cc(Cl)sc3Cl)ccc21 6496371 KHNLEAXFTQZJST-UHFFFAOYSA-N 402.258 5.083 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(F)c1 9849598 GAQSMQSUAYIUBZ-WQRHYEAKSA-N 415.898 6.145 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2oc3cc(O)ccc3c2Cl)SC1=S 26779597 BGJQGOFADUKWBU-VBYYMIJXSA-N 415.923 5.754 10 40 HKCB Cc1ccc(NCc2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1C 3208851 IEBILUIOWHTALC-UHFFFAOYSA-N 400.316 6.009 10 40 HKCB Cc1cc(I)cc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 6194073 HUJYBDLEDPBIRX-IQUTYRLHSA-N 421.709 6.080 10 40 HKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1 8442940 DCBJMKFMDJQVMV-UNOMPAQXSA-N 420.852 5.413 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 100208171 LBWDHSSKHHJKBE-JWGURIENSA-N 419.521 5.260 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 409151571 HEIPQQXXFHDGGO-PSTGCABASA-N 405.679 5.837 10 40 HKCB CCCCOc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 2117523 UWXINJBNMKNEOB-UHFFFAOYSA-N 405.494 5.126 10 40 HKCB biogenic Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)oc2ccc(Cl)cc12 6804341 RSZDZSOBIPVMIW-UHFFFAOYSA-N 422.912 5.896 10 40 HKCB O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc(F)cc1 8738090 XFDKFZJKOVTWKZ-WJDWOHSUSA-N 410.788 5.246 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 102711959 NDNSCLBAKMRQSJ-VGTOOOLASA-N 418.673 7.492 10 40 HKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 224220126 LEBKWALALXXCQE-RPBOFIJWSA-N 424.573 5.666 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 409201621 WWFIBNUNUFDPEM-KGENOOAVSA-N 420.559 5.221 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1Cl 409372453 ZGHIOLVMZPHRTB-RGEXLXHISA-N 403.865 5.370 10 40 HKCB Cc1oc2c(CNCc3ccc(Cl)cc3)c(O)ccc2c(=O)c1-c1ccc(F)cc1 32501387 ZUIJDQCSMSDCQH-UHFFFAOYSA-N 423.871 5.556 10 40 HKCB biogenic C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(F)c(F)c3)c2C1 35225494 UNWZYCBQMBAGNF-LBPRGKRZSA-N 416.265 5.950 10 40 HKCB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3C)C2=O)cc1 106788087 FWYVZRFXUAZTQP-JWGURIENSA-N 422.550 5.019 10 40 HKCB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)o1 408632797 STGPUGUQKRKFJU-PXNMLYILSA-N 421.881 5.050 10 40 HKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(Cl)c1 409348289 RZSIEPJRLKUUIG-PDGQHHTCSA-N 400.956 5.346 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC2=O)cc1 2068867 ZDAMOALXRUWZQH-LPYMAVHISA-N 404.554 5.692 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 13632888 IASYTKQGFQJPHK-RLFYNMQTSA-N 418.234 5.026 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)CC1 218666610 WTZJHEOCUZQOFB-NHCUHLMSSA-N 422.613 5.865 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 408774280 UKFOCWLLXUXSRV-XQNSMLJCSA-N 424.500 6.498 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 6963519 OQCGFTDIWBNWSH-PPJWLVRDSA-N 418.005 7.767 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 9296468 WEQRHRNSFZGUOI-WOJGMQOQSA-N 419.955 5.149 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 15224880 VLOQLHGYVXNTJN-XGXACIPPSA-N 410.524 5.158 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1 222614623 JRLMYGAEZKJJQI-ITEAAPOESA-N 422.985 5.732 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)C1 260452938 AQWJNGSCWKEUNR-PMACEKPBSA-N 408.586 5.477 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408937725 JQLFAUZYMSYULS-FYJGNVAPSA-N 420.871 5.864 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Cl)cc4c3N2C[C@@H]2CC=C[C@H]42)c1 830278 WQAFVILMELQOJK-REJRFELZSA-N 404.897 6.143 10 40 HKCB CCCN(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4499106 KSZUJZBVURNBOV-MUUNZHRXSA-N 422.657 6.173 10 40 HKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1 4611974 PNDHOBDBALMAMP-XQNSMLJCSA-N 412.489 5.470 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 4721984 NRDYEOBJMGFFQC-IUUKEHGRSA-N 407.819 5.972 10 40 HKCB O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1c1cccc(C(F)(F)F)c1 13894952 YEVYKMSXKANBIA-WQRHYEAKSA-N 415.461 6.264 10 40 HKCB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2cc(C)cc(C)c2)C(=S)N=C1O 32109699 YLISTCGSZOSQOE-MOSHPQCFSA-N 416.502 5.137 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1CCc1ccccc1 32594007 BMCMTSNWXLJZMZ-XSFVSMFZSA-N 409.507 5.530 10 40 HKCB O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58846928 RLCLRZHSXZXPRF-XLNZFTOWSA-N 420.509 5.453 10 40 HKCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 98086619 QHUJSHVTJSFPPJ-LICLKQGHSA-N 419.955 5.067 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(Cl)cc2)C1=O 408995066 IKQRLCVYYFUTOX-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB CCN(CC)CCC[C@H](C)Nc1c2cc(OC)ccc2nc2cc(Cl)c(N)cc12 4363970 AAUBBNVAOSGOOE-HNNXBMFYSA-N 414.981 5.555 10 40 HKCB Cc1ccc(C(=O)N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 6998981 AYMCZBWOWNMADR-DHDCSXOGSA-N 408.331 5.343 10 40 HKCB Cc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 9188817 LIHQNXIKNOMVLO-QNGOZBTKSA-N 403.528 6.193 10 40 HKCB CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 13070676 BQAASRVTJAFUMI-MRXNPFEDSA-N 412.489 5.025 10 40 HKCB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222616424 BZQOUIBYJYDSJR-FNVCAUGXSA-N 418.566 5.087 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 225360840 KQVXARYYIURQBQ-IAGOWNOFSA-N 419.396 6.040 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408978074 KMNHQVOTHYCAQN-WJDWOHSUSA-N 421.802 5.236 10 40 HKCB CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 409329925 IBNCYJMVFIJKGU-LICLKQGHSA-N 405.928 5.153 10 40 HKCB COc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)c2ccccc2OC)cc1 1830709 UISSSYMXNFAVAB-DEOSSOPVSA-N 404.554 5.082 10 40 HKCB biogenic O=S(=O)(O)c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 18191784 VFJNYADUKAOBAP-OCOZRVBESA-N 404.451 5.406 10 40 HKCB CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 83260076 OAXOEWZDYJLHDO-GZTJUZNOSA-N 416.955 5.010 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 260778119 RAQSTVRIUQGFTC-LEOXJPRUSA-N 417.582 5.172 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c2ccccc12 408743416 TVYQFNSSDULIDS-FOWTUZBSSA-N 407.263 5.592 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 5249573 PSCLSVBTCQGINB-DGIAZZNKSA-N 419.554 5.130 10 40 HKCB aggregator O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1 59418065 QBBKOHGSYALEFF-KGENOOAVSA-N 421.518 5.811 10 40 HKCB O=C(N[C@@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1 100432931 WEGBNVJTBUUKNO-CFZMGFRKSA-N 424.460 5.746 10 40 HKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 103919077 UGYHWUSEOMMRAA-KQWNVCNZSA-N 414.465 5.637 10 40 HKCB COc1ccc(N2[C@H](c3ccccc3)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 104568263 SIDWUTWAPFJZCA-IARZGTGTSA-N 407.513 6.713 10 40 HKCB C[C@H](NC(=O)c1ccccc1Br)c1ccc(N2CCC[C@@H](C)C2)cc1 218221613 PTVGGLXUCRZFBU-CVEARBPZSA-N 401.348 5.176 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1F 222919091 AZVKWNJTFFYCTK-GOTSBHOMSA-N 422.573 5.257 10 40 HKCB CC(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 226722373 KVUISGIIODFQSP-LQWHRVPQSA-N 415.318 6.241 10 40 HKCB C1=C[C@H]2c3c4c5c(c6c3N(C[C@H]2C1)C[C@H]1CC=C[C@@H]61)[C@@H]1C=CC[C@H]1CN5C[C@@H]1CC=C[C@H]41 408731040 IMIXCJGIPPIHNN-MBLBZBMASA-N 420.600 5.993 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(F)F 409357337 PYVLTPHJWKVWRM-GZTJUZNOSA-N 421.490 5.088 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 2318080 BSRVTBNXOZZSHE-IEMQHYRPSA-N 404.354 5.412 10 40 HKCB CCN1C(=O)/C(=C\C=C2/Sc3ccc(-c4ccccc4)cc3N2C)SC1=S 4892088 VMLHOBQOQQSXSZ-MZTKBTAGSA-N 410.589 5.501 10 40 HKCB COc1ccc(OC)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 14549156 KCTFBQCMQXJCDK-UMTXDNHDSA-N 407.513 6.837 10 40 HKCB Cc1cccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1 35038711 NZQFVXAHEWFYEE-KNTRCKAVSA-N 419.612 5.792 10 40 HKCB Clc1cccc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21 408736199 KYFQWLJNHMBKBF-LIBAHTEVSA-N 404.691 5.658 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(C(F)(F)F)=NN1c1ccccc1 408969326 LUIWCIWWIXRPIP-ATVHPVEESA-N 416.786 5.949 10 40 HKCB Cc1c(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc2n1C 409330249 KFABSVHOCSPDLY-HYARGMPZSA-N 414.555 6.046 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC 1251875 IDZDWDVAPRHBHT-RQZCQDPDSA-N 423.918 5.292 10 40 HKCB O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 1781255 VJWBSWYUGZKYPA-WQRHYEAKSA-N 415.461 6.264 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 9188520 QANPYZZPSATKJH-ZHZULCJRSA-N 407.947 6.413 10 40 HKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 18157122 SZXUXWGVXKCSIU-BXODQFHZSA-N 412.902 5.265 10 40 HKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(Nc2cccc(Cl)c2)=NC1=O 33732268 NYNAJZSVRBNZHU-ODLFYWEKSA-N 415.921 5.470 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 219058919 ANJXJIKDKLTVPP-FGTMMUONSA-N 400.950 5.221 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(F)c1 222919348 XYQVRPJHLCWKGU-GOTSBHOMSA-N 422.573 5.257 10 40 HKCB CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)c2ccccc21 409204761 KADQKKQFLYUDAE-LTGZKZEYSA-N 412.464 5.376 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 9232353 YPCGNLUYGHEJDC-LFIBNONCSA-N 409.454 5.510 10 40 HKCB S=C(Nc1ccc(/N=N/c2ccccc2)cc1)SCc1ccc2c(c1)OCO2 18120708 YRGIKPSOMAKLBL-WCWDXBQESA-N 407.520 6.461 10 40 HKCB COc1ccc([C@H]2N=C(c3ccccc3)C[C@H](c3cc(Cl)ccc3O)N2)cc1OC 57509315 KXYJXPGCVWVSOA-YKSBVNFPSA-N 422.912 5.285 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 59959167 MKYPCSMAFNRNOO-BKUYFWCQSA-N 403.865 5.370 10 40 HKCB O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 113833717 ZHUUUMKUMMDFMZ-RIYZIHGNSA-N 411.291 5.307 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)C1 219045171 PXMSYAVAYWGJOW-NJDAHSKKSA-N 416.565 5.721 10 40 HKCB Cc1cc([N+](=O)[O-])ccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408986615 RMOWEQDNNMDGPF-XMHGGMMESA-N 416.864 6.028 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409340434 XBUORJRSOZLKJL-RNEAKCBISA-N 414.508 5.178 10 40 HKCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 409342247 AYYLXRLXIKGYDC-MHWRWJLKSA-N 409.454 5.510 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1 409345615 JPWCJHYMKLRRSJ-HMAPJEAMSA-N 419.571 6.341 10 40 HKCB COc1ccc(N2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1Cl 409351399 UNXBONLKCBDSAP-HWVXOFFASA-N 401.940 5.701 10 40 HKCB CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 1811361 XTHNVMVNFLNHPO-VWLOTQADSA-N 422.657 6.629 10 40 HKCB CCOc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O 4553685 QILDMOSYIDWIOE-ZUOKHONESA-N 414.571 5.822 10 40 HKCB C[C@H](OC[C@H](O)CN(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 6082908 PCQAVHYILBMYFS-FDDCHVKYSA-N 417.977 5.319 10 40 HKCB CC[C@@]1(C)C[C@](CCNCc2ccc(N(C)C)cc2)(c2ccccc2OC)CCO1 3999357 MYSHNZYNVKLJHA-IZZNHLLZSA-N 410.602 5.158 10 40 HKCB biogenic CN(C)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 15581243 IFAASESRJAYROE-UHFFFAOYSA-N 400.501 5.034 10 40 HKCB Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1Br 225694786 LDFWAWGRDWFXEW-OAHLLOKOSA-N 418.404 5.405 10 40 HKCB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225797461 NZWNNWGOKGIZHV-PMACEKPBSA-N 406.570 5.200 10 40 HKCB COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226649214 OWFLNCQFUNDERZ-SIFCLUCFSA-N 416.315 5.301 10 40 HKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)cc1 408739449 WHCKLNYRIRAZMS-FCDQGJHFSA-N 424.544 6.013 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 408764758 YFMXGSAEIWWEGZ-PXLXIMEGSA-N 419.887 5.380 10 40 HKCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O 409349046 UFQLOYQOFNZUEF-BKUYFWCQSA-N 405.544 5.871 10 40 HKCB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 2641651 WPFHUAIEKQIXJD-GOSISDBHSA-N 407.485 5.614 10 40 HKCB C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 217836570 FLFPIMIKAQFLJH-CVEARBPZSA-N 421.368 5.486 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(F)c1 222613884 FDPFHTGZBCGMSK-UZQPLGKSSA-N 406.530 5.218 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1C 222833820 CXTGZUXRZXSNMG-BJKOFHAPSA-N 418.610 5.487 10 40 HKCB COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 408738766 OAOSARDWTLNNGH-XDJHFCHBSA-N 415.876 5.598 10 40 HKCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 408739312 VKFBQKSYEDBXFK-CJLVFECKSA-N 410.473 6.190 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(C)C 409332962 TXQLDLNVJCZZIT-VXLYETTFSA-N 417.527 5.275 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(F)F 409347979 PJPYDWZZVPXCLR-YBEGLDIGSA-N 407.463 5.011 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1 665072 UMGIUYWHPCECDW-HYARGMPZSA-N 416.452 5.219 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 4959456 DHDYXANJRQUVLF-QTEQDKRBSA-N 407.535 5.184 10 40 HKCB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 33319970 AEZGRQSLKVNPCI-XDHOZWIPSA-N 421.499 5.046 10 40 HKCB Cc1nc(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2)cs1 48326187 WXEKZUKZOYSNFX-FQEVSTJZSA-N 423.538 5.037 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222872113 PQSVSLRHFFGBOA-DHIUTWEWSA-N 404.583 5.180 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222917544 XXJMYLKUHLRPLO-ZEQRLZLVSA-N 418.610 5.426 10 40 HKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 247545290 UJBOKOFHKMNDNX-CZSZKKDXSA-N 405.900 6.885 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(O)c1 408737996 HODXTCOQRYIHMI-QGOAFFKASA-N 418.290 5.626 10 40 HKCB CCOc1ccc(N2C(C)=CC(=Cc3sc4ccccc4[n+]3CC)C=C2C)cc1 3176137 BMYILAHFZOAMFW-UHFFFAOYSA-N 403.571 6.319 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 4721982 NRDYEOBJMGFFQC-PZROIBLQSA-N 407.819 5.972 10 40 HKCB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Cl 8735639 KSPANLMQVCFGIU-RVDMUPIBSA-N 422.984 5.022 10 40 HKCB Clc1ccc(COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2)cc1Cl 70453904 IXDUXJLHVYXANM-UHFFFAOYSA-N 421.327 7.262 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C)c3C)N21 222694921 IPUJLXDQHDXNGI-WUMKDDEVSA-N 416.594 5.777 10 40 HKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)n1-c1ccccc1 225030855 DNZYPCCASDVOGR-XZOQPEGZSA-N 402.567 5.096 10 40 HKCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 408983258 AARSYTUZBDKZIM-HMMYKYKNSA-N 401.893 6.210 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409341992 DFPRPPBHDVTLOJ-FHNWIRHTSA-N 414.508 5.178 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1 4150685 ZEQWMPIFZQSZHA-UOYIJQEASA-N 410.930 5.223 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 9232870 UJCFBXZLNHWXBT-PJQLUOCWSA-N 410.303 5.128 10 40 HKCB Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 14165812 NASZQGNHZHSODS-LZNRXBQRSA-N 423.297 6.271 10 40 HKCB [O-]/[N+](=N\c1ccccc1)c1ccc(/N=N\c2ccc(/[N+]([O-])=N/c3ccccc3)cc2)cc1 100368954 PJPSEMFRNAXBJQ-HKRGUZEBSA-N 422.448 7.953 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 113834890 YMGSZLJZIITWDQ-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1C1CCCCC1 113837011 OMONYLYGXKVUGO-VGOFMYFVSA-N 417.339 5.436 10 40 HKCB CCN1c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2C(C)=CC1(C)C 208511510 CYIVFKQNBQRPSJ-STZFKDTASA-N 420.603 6.114 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)c(OC)c1 408722091 DILRYLQNFQOEAC-ZHZULCJRSA-N 414.457 5.264 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 409157050 OUSGSBONBZSZBZ-GRDNDAEWSA-N 423.123 6.177 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 3082535 JOBAELSXTMVIEP-HMMYKYKNSA-N 403.279 5.284 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c5ccccc5n(C)c4c3)SC2=S)cc1 4543824 LETSMGZJAYZKQI-HYARGMPZSA-N 414.555 6.046 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 9833682 BPZMYJPKCXFYRX-FTLABTOESA-N 418.718 5.716 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 13618489 PHXYGSZQUDUMKL-YVLHZVERSA-N 405.928 5.153 10 40 HKCB O=S(=O)(Nc1c(Cl)c(Cl)c(O)c(Cl)c1Cl)c1ccc(Cl)cc1 16807774 YRFCFWFATKLMKR-UHFFFAOYSA-N 421.516 5.460 10 40 HKCB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2Cc2ccccc2)cc1 44086310 WABIXQDTTIIWKE-UHFFFAOYSA-N 404.510 6.038 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219367950 LKLXGADAFIMQOJ-QPPBQGQZSA-N 408.586 5.575 10 40 HKCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219611375 QYPORUBECOJKEB-IEGUWTFLSA-N 414.977 5.611 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736030 BBBCUWDZKLJHEU-UMFSSWHCSA-N 412.489 6.309 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)c(OC)c1 408995282 LSGZUHACQWZOBV-KGENOOAVSA-N 418.880 5.192 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N12 49687422 WITIWZXWMJVBPN-OKIZQULLSA-N 415.927 5.392 10 40 HKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccnc1 408976167 PYQLJZMMRUBCDB-UHFFFAOYSA-N 400.441 5.737 10 40 HKCB O=C1c2ccccc2C(=O)c2c1sc1nc(-c3ccccc3)c(-c3ccccc3)n21 708418 AVBRUKSEHDTGQL-UHFFFAOYSA-N 406.466 5.505 10 40 HKCB Cn1cc(/C=C2\SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21 4745845 ANPDFCKMZBGFJL-FMQZQXMHSA-N 402.306 5.568 10 40 HKCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 9188567 WJKHGMRDKMDDSB-ZSOIEALJSA-N 417.836 5.904 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4C)c3C)N21 260765978 IPUJLXDQHDXNGI-FOVJLYNBSA-N 416.594 5.777 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1c1cccc(Cl)c1 409213426 UWWRSLLYSLBSGE-WOJGMQOQSA-N 402.878 5.320 10 40 HKCB COc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl 2114179 ROURZYMAVCPMST-UHFFFAOYSA-N 419.864 5.479 10 40 HKCB biogenic Cc1cc(C(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 3270149 GEOVJMNTFUNFFJ-UHFFFAOYSA-N 402.263 5.257 10 40 HKCB N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12 5218900 IJWXNNKWHQYBBE-JRCZNVDKSA-N 416.550 5.819 10 40 HKCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccc(F)cc1 5261761 LPQBDFREAXCEGW-UHFFFAOYSA-N 410.518 5.012 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 7096850 UTSYBTNUMCOWEQ-KHCICDEESA-N 402.881 6.742 10 40 HKCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 13205671 TZIVOGYHYMYKRI-NTUHNPAUSA-N 400.834 5.160 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1 225813756 ZDPSQRPUCDMOLU-KRWDZBQOSA-N 420.475 5.198 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(Cl)cc2)C1=O 408756046 SYBRTHNLVWXFCB-XSFVSMFZSA-N 423.299 5.837 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC 409345070 KBZKQWIHTJGBQT-HMMYKYKNSA-N 419.612 5.798 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 5164496 AEPPKFNTBVOYFC-GSLIJJQTSA-N 424.560 5.180 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 6569740 FTDVHSLPSSTPAK-YNUQAMOLSA-N 419.554 5.212 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1Cc1ccccc1 6829503 MINHTYCGLDVOQA-PXLXIMEGSA-N 417.555 5.667 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=N)N12 102469399 PQPICROVGBCKAX-JFNNLOOZSA-N 404.539 5.385 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578904 WMDAPEUCRJBNAH-XZOYJPPVSA-N 408.586 5.575 10 40 HKCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260756028 CYZDHNOBEKYHNU-UZFJHSOTSA-N 418.566 5.087 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408769948 QZFNWFOEQLLPLE-WJDWOHSUSA-N 402.277 5.179 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S 2828366 OXCOTGCSTPIAKY-YVLHZVERSA-N 424.374 5.794 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1 4699993 WEUNULAZXXSTDL-MOSHPQCFSA-N 418.880 5.917 10 40 HKCB Cn1c(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc2ccccc21 5374382 REINAGZGQNLEIB-GZTJUZNOSA-N 412.312 5.023 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)c1 9188474 BXFPRTLLLKJAJH-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 12273941 WFURBDZEXHXVAO-SXGWCWSVSA-N 418.337 5.058 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)O2)cc1 59425986 SVTVAGKKKBPSNH-KAMYIIQDSA-N 413.256 6.243 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(C)cc3)C2=O)cc1 408760984 BJWOAYIMFQTAAY-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2084458 LBOBTPMMMSGYAO-OAQYLSRUSA-N 421.570 5.390 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)C(=O)NC2=S)cc1 9322162 AYPNPGHZRFWVFQ-HZHRSRAPSA-N 422.509 5.133 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 408895181 UDTFMPOBDXLNED-ZHZULCJRSA-N 411.885 5.006 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 4536230 HJMXGZCAXKIFFV-OQLLNIDSSA-N 408.317 5.302 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccccc4F)=NC3=O)cc2)cc1 8550111 BKJIEWXFUKSKMB-HYARGMPZSA-N 418.493 5.796 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Cl)c1 408761716 KZCCFGCJIPXPIG-KGENOOAVSA-N 417.852 5.391 10 40 HKCB COc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 2117824 OVGZZYGQXMXJFA-UHFFFAOYSA-N 413.473 5.057 10 40 HKCB biogenic O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1 2357147 ISXXTAVNKPSXCC-ZHZULCJRSA-N 407.491 6.024 10 40 HKCB Cc1ccc(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1C 3648185 HPJBXOSIWYCFAK-LFVJCYFKSA-N 408.501 5.830 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)SC1=S 6387042 SAOYOKJYALECMA-DHDCSXOGSA-N 411.379 5.622 10 40 HKCB CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 6709547 SCVIWQUASSJENJ-RYEIUNSYSA-N 419.554 5.150 10 40 HKCB O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(Cl)c1 33295080 NDUGIKJQGRAWMI-WCSRMQSCSA-N 410.303 5.128 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 96505116 JJAWWRCDTXNNKA-QGOAFFKASA-N 402.972 5.592 10 40 HKCB c1ccc(/N=N\[C@@]2(c3ccccc3)CCC(c3ccccc3)=NN2c2ccccc2)cc1 104133827 QCBOTJNLDYEQMU-RJLRQBPCSA-N 416.528 7.328 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Br)cc2)c1 408760252 VLZKSNHHZFQJOZ-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2cccc(C)c2)cc1 408764856 NLNFKYMDSAZWBK-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2165195 ABPNVSWJHIHGIS-BKUYFWCQSA-N 422.937 6.297 10 40 HKCB O=C1N=C(O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(F)cc1 9012713 MITBNHLVQVZGDQ-OEAKJJBVSA-N 424.431 5.634 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)CC1 219298726 LPBOUJLOGQFPLA-RTWAWAEBSA-N 408.586 5.691 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(F)c(N4CCCC4)cc3C)N21 222673309 HVYAMXQQNYXXRR-KNXBSLHKSA-N 410.562 5.109 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Cl)cc2)cc1 408753144 ICSAGVMHNYCOHI-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408771074 CSISPQOWPLADQP-KOEQRZSOSA-N 411.549 6.198 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)SC1=S 409007050 NEQHUMOGGQIINE-YVLHZVERSA-N 424.374 5.794 10 40 HKCB Brc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1 409169519 RJMQTSXJQCSXGU-GIWBLDEGSA-N 402.335 6.943 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 409174513 MYYGPQWNURWQIX-JJRVBVJISA-N 423.123 6.177 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409331292 NUXZZFWKWWHISX-KGENOOAVSA-N 405.544 5.953 10 40 HKCB CCOC(=O)c1c(CSc2ccc(Cl)cc2)oc2ccc(O)c(CN(C)C)c12 1244216 SBJIEQQGTZGJJV-UHFFFAOYSA-N 419.930 5.322 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 3771144 FFASMLFJEQLLJW-UHFFFAOYSA-N 412.869 5.063 10 40 HKCB O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 16050866 LWZFGHIRDOZUNN-XDHOZWIPSA-N 419.311 6.489 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(CC)cc1 103918837 JOWKCRCHYWWKNY-QNGOZBTKSA-N 404.539 5.748 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 409329000 BUNMYVPOLUMFOR-BKUYFWCQSA-N 419.527 5.863 10 40 HKCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(F)c1 409342971 DBSZBGQGIVTFGT-AUWJEWJLSA-N 412.280 5.133 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1c1ccc(C)cc1 3179004 DQRYOZDJDSNNFI-UHFFFAOYSA-N 409.578 6.899 10 40 HKCB CCSc1c(C(=O)Nc2ccccc2C)ccc2c1C(=O)c1ccccc1C2=O 4452333 BLEBAPACEZRMRE-UHFFFAOYSA-N 401.487 5.135 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1 4853716 LCRDUZVJATUUOO-KGENOOAVSA-N 404.560 5.496 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1Cl 7423461 WNJMGEYTTXFAIA-UHFFFAOYSA-N 406.338 5.433 10 40 HKCB O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Br)cc1 13121888 KJVCBZOAOWMSJT-HXUWFJFHSA-N 421.294 5.146 10 40 HKCB CCN(CC)c1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 19625238 ZTEGCRGNKDBGDC-AREMUKBSSA-N 422.532 5.852 10 40 HKCB Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 19798785 ZPFRTTVJFSTVNJ-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 96483267 FNGWTUDYERISJD-FOWTUZBSSA-N 407.263 5.592 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCCC2)cc1 225663123 ZGOOROLJEIPTCW-OAHLLOKOSA-N 418.404 5.487 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCN1C(=O)c1cccs1 301198823 PWEOHABMUQOQND-WWDJGNSZSA-N 404.495 5.407 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1 408752364 DUEZDLJALBQPJL-PXLXIMEGSA-N 418.880 5.279 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(F)cc2)cc1 408765397 LNLGFPIJEHCNIA-CJLVFECKSA-N 416.452 5.068 10 40 HKCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1056872 VDNAKSYRIMHPPV-WQRHYEAKSA-N 409.398 5.076 10 40 HKCB Cc1c(NS(=O)(=O)c2ccccc2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C 16779650 BIARYEXHXPRHEE-UHFFFAOYSA-N 420.534 5.371 10 40 HKCB COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 4959600 JOKJMQHCVVMSMH-MRRFBWAASA-N 400.272 5.013 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccccc1CC 100163496 GWMJVERUJMVGNI-RCCKNPSSSA-N 404.539 5.748 10 40 HKCB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219059066 ANJXJIKDKLTVPP-SQNIBIBYSA-N 400.950 5.221 10 40 HKCB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219321289 MMXDIOCQKDJLJD-HMFYCAOWSA-N 414.977 5.611 10 40 HKCB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225690484 VCXFAFBNLCVROO-OAHLLOKOSA-N 403.979 5.072 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)c1 408765340 LDSADRKUBBVVOF-FYJGNVAPSA-N 407.300 6.136 10 40 HKCB Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1C1CCCC1 409144717 GHPKCEDNJMPJKC-QNGOZBTKSA-N 410.608 5.664 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC 409330274 KLBVKMOWMYDZER-CTFRJJSNSA-N 413.564 5.587 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl 3769386 AAMJDNZODVYEQH-UNOMPAQXSA-N 416.905 5.316 10 40 HKCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(Br)c1 4746276 HAXRGSMHNHYHBK-MAHQCVNESA-N 402.338 5.411 10 40 HKCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 8738125 QQIRZVDXWROZPZ-KQRQPNSISA-N 414.461 5.967 10 40 HKCB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1 100797575 JMBKSMPFEYYJKB-HFJWLAOPSA-N 403.522 5.566 10 40 HKCB biogenic Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccc(Cl)cc1 222588876 MCQILKKTWIFFSG-ONGXBYRLSA-N 408.958 5.423 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222917622 WJWOPTCKRPDJOI-DNQXCXABSA-N 418.610 5.426 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2cccc(C)c2)cc1 408754441 NKRUWIMNJKHIAG-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2cccc(C)c2)cc1 408761274 DBNMRERBJMCPGM-LPYMAVHISA-N 421.327 6.445 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 408768436 JCSYDZZNEBOFMT-UHFFFAOYSA-N 404.871 5.228 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 5180089 FTDVHSLPSSTPAK-YCWTWADVSA-N 419.554 5.212 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5214047 VVTFMXGTHCBBGP-SDXDJHTJSA-N 421.584 5.189 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 5523232 HCCAANAGKSTYIQ-GDNBJRDFSA-N 406.240 5.010 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 13758481 BCYLGMCDRWDCON-BFLUCZKCSA-N 424.560 5.180 10 40 HKCB CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1 85875604 JMBKSMPFEYYJKB-WXTAPIANSA-N 403.522 5.566 10 40 HKCB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219367719 LKLXGADAFIMQOJ-XUZZJYLKSA-N 408.586 5.575 10 40 HKCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222616357 BZQOUIBYJYDSJR-PBNUPURSSA-N 418.566 5.087 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222789304 RSFZEGYAMUORAA-XZOQPEGZSA-N 404.583 5.098 10 40 HKCB FC(F)(F)c1cccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)c1 1064821 HFOFVXTULPAHFS-UHFFFAOYSA-N 416.468 5.463 10 40 HKCB C[C@@H](Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 6183613 INTNPLASRNNQKM-FIOICXDGSA-N 417.555 6.232 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc2ccccc12 6307906 NHNFMYNCMWQGAB-ULJHMMPZSA-N 419.480 5.870 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260769210 KNPGEDYTPPOVFM-VXKWHMMOSA-N 406.599 5.094 10 40 HKCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)o2)c1 409144151 NIMDOVIIXPFQDD-UNOMPAQXSA-N 411.479 5.261 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409339260 GGQSEFDNHXVAHV-RCCKNPSSSA-N 405.544 6.034 10 40 HKCB Cc1nn(-c2ccc(Br)cc2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 584904501 IYUBIYIRMGDSSP-UHFFFAOYSA-N 400.236 5.575 10 40 HKCB CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 3202900 NGVJOMLEXYUZJT-RQZCQDPDSA-N 422.337 5.165 10 40 HKCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(NC(=O)c2ccccc2F)cc1 4054604 QOULCPDOQXKBLW-UHFFFAOYSA-N 404.363 5.231 10 40 HKCB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(Cl)c1 9296435 QJAOZQZAFIWZEZ-DEDYPNTBSA-N 423.946 6.538 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260592211 QYPORUBECOJKEB-BSRJHKFKSA-N 414.977 5.611 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 409150494 BZTZVRMQBZZXLI-VGTOOOLASA-N 405.679 5.837 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409164078 CEWQOAQJWBYQCX-FTLABTOESA-N 408.712 6.260 10 40 HKCB CCN(CC)c1ccc(Cc2ccc(N(CC)CC)c3cccnc23)c2ncccc12 1667083 VRBIUVFLDNRKFX-UHFFFAOYSA-N 412.581 6.066 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2cccc(OC)c2)sc2c1CCC2 3066009 BACMGYDSXKSFJN-UHFFFAOYSA-N 422.550 5.509 10 40 HKCB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(O)c(O)c1 4516587 GFLJGOSEQRMHBC-UHFFFAOYSA-N 403.459 5.395 10 40 HKCB Fc1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 6444975 IVLXELQAFLPJBS-MSBWEVJISA-N 422.341 6.483 10 40 HKCB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6563789 BESIZRIYWMJSRB-PBJDEKFSSA-N 410.518 5.980 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 226742447 TVJLOTKNPXJXGH-BWACUDIHSA-N 405.679 5.837 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 408840532 CFIURRGDTPFBKJ-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)ccc1OCc1ccccc1F 4677320 OUWQFSXDTJXIRB-PXLXIMEGSA-N 400.453 5.519 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 17247440 FGLAMWYJYRUOOO-KYPHJKQUSA-N 406.570 5.041 10 40 HKCB biogenic O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 44086155 ZFAPTSQZNCVCCB-UHFFFAOYSA-N 423.925 5.576 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1 1740594 VSUVQWWKEOZMIE-ZROIWOOFSA-N 410.745 5.508 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1c(F)cccc1Cl 6276458 AAMJDNZODVYEQH-XDHOZWIPSA-N 416.905 5.316 10 40 HKCB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)no2)cc1 11916462 BKOZOICJXUWEMR-UHFFFAOYSA-N 415.493 5.152 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260795858 MDGONIQGKBBSMH-SFTDATJTSA-N 408.586 5.611 10 40 HKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408757693 OVOSVYGHJGAAJN-ZVHZXABRSA-N 412.537 5.529 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 408984274 GEXQUZCWSQMBLQ-CAPFRKAQSA-N 401.893 6.210 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S 409038558 PGOKZKISAKJLNN-ODLFYWEKSA-N 401.528 5.262 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6194052 HUJYBDLEDPBIRX-NJSLBKSFSA-N 421.709 6.080 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 8436984 NDNSCLBAKMRQSJ-PSVSLLHZSA-N 418.673 7.492 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)c2ccccc21 33332409 OICVIZUIUCFGRZ-UYRXBGFRSA-N 403.507 5.031 10 40 HKCB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219321232 MMXDIOCQKDJLJD-FGSXEWAUSA-N 414.977 5.611 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ncccc4C)c3C)N21 222703698 WEOKKAXNFPVBRL-VLCRHTCISA-N 417.582 5.172 10 40 HKCB CC(C)N1c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223564480 KHVLMFOIWLIRMF-CPEHUTGBSA-N 420.578 6.428 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409244140 YLNMZXBQLAPQCG-PXLXIMEGSA-N 420.534 5.320 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1 4739408 BVOLARYJGSYJPW-HMMYKYKNSA-N 416.318 6.229 10 40 HKCB Fc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 6444980 IVLXELQAFLPJBS-DJIOSBNXSA-N 422.341 6.483 10 40 HKCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc3ccccc23)cc1 24768348 GKZIAAVRYZKHJR-QFIPXVFZSA-N 403.526 5.119 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208222364 AQDSHQKEYUOBHY-OFNOZLENSA-N 424.541 5.784 10 40 HKCB FC(F)(F)c1cc(NC(=S)NCc2ccc(N3CCCC3)cc2)ccc1Cl 225423898 BTXFXFBCHPASKE-UHFFFAOYSA-N 413.896 5.446 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccc(Br)c3)cc2)C1 260801634 JIVLOFGRMLRNIV-DLBZAZTESA-N 415.375 5.105 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 409160979 RWLMXPSEKTWDHD-AGKHESDQSA-N 418.673 7.492 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)c1 1141667 XGQFOFWOFSQWGY-JYRVWZFOSA-N 410.303 5.097 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2429229 VIISGLPHBCWZQS-SFQUDFHCSA-N 406.429 5.422 10 40 HKCB Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)Nc1ccccc1 5182736 GMRRGWICDATQKO-UHFFFAOYSA-N 400.478 5.331 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 5552000 OJYPMPRRALYNLG-UNOMPAQXSA-N 405.500 5.252 10 40 HKCB Cc1ccnc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1 5931908 NGAWFARRBBNJRI-FQEVSTJZSA-N 409.411 5.864 10 40 HKCB Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 14458250 IXBLDLZFOBVUGO-SGIRGMQISA-N 416.546 5.622 10 40 HKCB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)cc(-n2c(C)c(C)c3ccccc32)c1O 16779666 RGAZSQAONFLJGV-UHFFFAOYSA-N 424.497 5.201 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3F)N21 222678660 ZJMCPLRVEFZCCZ-URZJWIJPSA-N 410.562 5.190 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222690430 ASGQWKFJGUYDQZ-NLSFWIRASA-N 422.598 5.060 10 40 HKCB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2084459 LBOBTPMMMSGYAO-NRFANRHFSA-N 421.570 5.390 10 40 HKCB Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c1Cl 14476984 RYFNMXBLKQIFDF-IRWWLHRVSA-N 419.566 7.780 10 40 HKCB CCOC(=O)c1c(Nc2ccc(Cl)cc2)sc2c1C(=O)c1ccccc1C2=O 72194226 VEFDVGVEPOOXRC-UHFFFAOYSA-N 411.866 5.097 10 40 HKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 101615653 LUCWRTJVQQFSBY-YVLHZVERSA-N 405.241 5.010 10 40 HKCB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260755862 BZQOUIBYJYDSJR-ZGNKEGEESA-N 418.566 5.087 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC)c(OCC)c1)N2 408736241 NLFNHLOQBLGJRH-IMWIBFENSA-N 407.510 5.487 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 408756823 XREHGVZXIUQSSC-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409015419 RXRMVKYOGWTOOG-QQHUYRGFSA-N 404.535 6.082 10 40 HKCB Cc1cc(C(=O)[C@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 58123594 ONCFJBOREPBJSK-QFIPXVFZSA-N 415.364 5.757 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(F)c1 222828818 RLKYJSSVPABJHR-VXKWHMMOSA-N 408.546 5.009 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 225596825 PGSCVRYPLPSIOE-QOCDNPHISA-N 423.641 5.510 10 40 HKCB CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408985524 MPVVNGQZYHOYEH-BFWROUECSA-N 413.948 7.325 10 40 HKCB Brc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1 409169520 RJMQTSXJQCSXGU-XPNTWCBSSA-N 402.335 6.943 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)cc2Br)o1 680913 LSMSFMPNVDHIKC-CPNJWEJPSA-N 421.294 5.824 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccccc2)cc1 13898745 NMJPYUHDSJRLOM-NCELDCMTSA-N 412.489 5.341 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)S[C@H](c2ccccc2O)N1c1ccccc1F 32598131 KSRZBLULSDLWFW-VLOXRPPESA-N 411.885 6.004 10 40 HKCB COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 32801853 CACYHUIOXCICKM-VWLOTQADSA-N 412.489 5.143 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 33479296 ZNMMTFARKQYUPK-UDWIEESQSA-N 424.331 6.207 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)C1 219058851 ANJXJIKDKLTVPP-KZNAEPCWSA-N 400.950 5.221 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3cccc4ccccc34)cc2)CC1 222677285 DRELKOJRPQVAER-OAQYLSRUSA-N 400.566 5.886 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 1019238 SSWHUEHHYRFWSO-GSHUGGBRSA-N 415.364 6.302 10 40 HKCB CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4734723 NJECRFZYMUEURK-HSZRJFAPSA-N 418.541 5.123 10 40 HKCB Nc1cc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1Cl 5834659 VHCLJZXLSNYDQH-OCEACIFDSA-N 408.845 5.133 10 40 HKCB COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1Cn1nc(C)cc1C 19574436 YMQRBZUPCAODKT-UHFFFAOYSA-N 407.533 5.255 10 40 HKCB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCCCC2)cc1 20106358 XHCAOHGFXURKPV-RUZDIDTESA-N 402.538 5.304 10 40 HKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4C)C3=O)n2)cc1 100510808 IWTQXXIUNOVXLS-FYTMPNSFSA-N 405.483 5.002 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222785005 HAUDPCLVMRGYEG-SFTDATJTSA-N 410.974 5.135 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222961900 GCJAGVKSFZRQGM-XZOQPEGZSA-N 404.583 5.262 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@H](CC)N21 260753121 BLDKGCBTQNKUMA-JJEOQYAHSA-N 424.614 5.306 10 40 HKCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)c1 1062875 MXWSWOIUKUTNDX-HZHRSRAPSA-N 422.440 5.508 10 40 HKCB N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12 19997720 DBQXWSVUMPWJFY-SCORJZKRSA-N 415.449 5.390 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222834327 RPZDYEQBRFKUHD-VWNXMTODSA-N 418.610 5.487 10 40 HKCB O=C(N=c1cc[nH]cc1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408735727 VUVSHNREEGTHQQ-UHFFFAOYSA-N 415.456 5.550 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408757702 OYKLEKFVCPORQW-LPYMAVHISA-N 404.901 5.257 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(O)c3)C2=O)cc1 408760617 BTIKFVYBADYBNV-AQTBWJFISA-N 403.865 5.526 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4502236 PLBLHQIQVLEBNH-BSRJHKFKSA-N 403.884 6.537 10 40 HKCB O=C1N=C(O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1Cc1ccccc1 9318384 BSBWCEOXHSNELW-QNGOZBTKSA-N 421.456 5.337 10 40 HKCB CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O 80325233 DJXQDKQZDJDABV-YFPIXMDGSA-N 419.308 5.317 10 40 HKCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408534996 XBKNQLZSJITGEO-GDNBJRDFSA-N 418.722 5.438 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 409174511 MYYGPQWNURWQIX-CKEIUWERSA-N 423.123 6.177 10 40 HKCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1cccc(F)c1 5261768 CHYASBHUXBLQMS-UHFFFAOYSA-N 410.518 5.012 10 40 HKCB O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)SC(=S)N1c1cccc(Cl)c1 8398615 MAGQNGROLUFUQH-WLRTZDKTSA-N 416.738 5.758 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208220404 AEVLSEQHXUKPNM-DKNZLLBESA-N 423.944 5.155 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222613149 OFUIIBVNOARHGU-PKKBDPGCSA-N 416.594 5.641 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 408766868 TXKNTDXGQXERAP-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 408976342 FJXNMCSPLRFMTR-DHDCSXOGSA-N 406.240 5.010 10 40 HKCB CCCCCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 4525226 DJYSWXGGKMJQTC-NJNXFGOHSA-N 424.544 6.480 10 40 HKCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2O)N3)C1 4545441 GHNLJVKVRLUJGS-XXFAHNHDSA-N 407.333 5.160 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(C(C)C)cc1 6634335 WBIFHUSPUFPPGJ-KQWNVCNZSA-N 411.501 5.840 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826868 QTOYQOUFXJGPDI-PKTZIBPZSA-N 404.583 5.178 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 225596859 PGSCVRYPLPSIOE-MATOAUIGSA-N 423.641 5.510 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486874 VPQWFAYSCJGCNW-WMZHIEFXSA-N 421.884 5.082 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)c1 408604675 WBTCNOHWQLIZLF-ODLFYWEKSA-N 413.470 5.939 10 40 HKCB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 1274663 LPYDAPIIZYKMAO-JOCHJYFZSA-N 420.896 5.354 10 40 HKCB CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(c2ccccc2)C1=O)c1ccccc1 4013594 GFUMNEQPQSXELK-OGASSDKTSA-N 406.532 5.058 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CCOc1ccccc1 4619900 SWFSCGZAKMDUFJ-WJDWOHSUSA-N 410.347 5.274 10 40 HKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 7096127 SAEJRPUSFSFSHE-FBLLAGFSSA-N 403.978 7.459 10 40 HKCB CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 12413437 LODLXTYOMVDPFL-BOPFTXTBSA-N 408.325 5.389 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 33874444 SSCHALCLZHLRSP-ZHZULCJRSA-N 413.564 5.276 10 40 HKCB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccc(Cl)cc1 36359458 DZJPKOILTLRWJX-UHFFFAOYSA-N 416.912 5.352 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)N=C2S1 41083111 QXDRDTYVKCOQAI-ZXPXUXNTSA-N 424.551 5.630 10 40 HKCB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 222711370 PIFLKZRQLSUUPT-MSOLQXFVSA-N 400.563 5.173 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409328849 BKYAZKIRJLXQSL-LICLKQGHSA-N 424.374 6.188 10 40 HKCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S 409329832 HGGHJCSNYHPBDL-LICLKQGHSA-N 424.513 5.724 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccccc2Br)SC1=S 6151008 IMTMTPVPHLHOAE-COOUDCDJSA-N 419.369 5.324 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 8656760 LBLLUWUAVXFAHH-UYRXBGFRSA-N 407.267 5.515 10 40 HKCB COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 9763613 FTQLDMVTJMBLFI-JCGVRSQUSA-N 422.269 5.571 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C 208322372 ZDURPROKXHFEMB-QWQBBLJPSA-N 417.553 5.200 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc21 208447128 NNWAMVYRORQJIN-BKUYFWCQSA-N 403.551 5.709 10 40 HKCB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 222898338 IZEFOCVARDOVBR-NLFFAJNJSA-N 408.586 5.520 10 40 HKCB CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225670826 VRQJTSPVLIRMHU-MOPGFXCFSA-N 411.615 5.758 10 40 HKCB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2ccccc21 409205400 CBYWLJXIMDAJKC-HZHRSRAPSA-N 412.920 6.250 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409330228 JZTJQRDHCQHZPJ-NCUBORBFSA-N 403.956 5.923 10 40 HKCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O 5947704 NLCFKUADTXCMFB-PXLXIMEGSA-N 419.525 5.464 10 40 HKCB Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc(Cl)c2cccnc12 21548845 MOGKPFGPMXIXNU-LJQANCHMSA-N 407.728 6.086 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S 59418109 YRNPNQJWEWBUNV-WOJGMQOQSA-N 419.955 5.149 10 40 HKCB Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 409078069 GLIMJFXZMQXUJL-MOSHPQCFSA-N 413.974 5.138 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 409150955 FLRDUYJVJHVTAC-CPUCHLNUSA-N 405.679 5.837 10 40 HKCB CCOc1ccccc1/C=C1\C(=O)N(c2cccc3ccccc23)C(C)=C1C(=O)OC 409375386 KBLXAOMIVWZADD-PGMHBOJBSA-N 413.473 5.116 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(O)c1 6596256 MGHAQYKOZAJNLX-GZTJUZNOSA-N 408.284 6.170 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7096078 PSBDHIZEENHVBL-HWBMXIPRSA-N 403.978 7.459 10 40 HKCB CCOc1cc(Cl)c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 13915340 DXWXZHXGRXYYLH-VCHYOVAHSA-N 419.955 5.462 10 40 HKCB CCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC 33651190 NYLCANQCWREMBD-YBEGLDIGSA-N 423.321 5.483 10 40 HKCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccc(C)cc4)OC3=O)o2)cc1 83262514 YPDNSYOXDNNYQG-XSFVSMFZSA-N 400.430 5.413 10 40 HKCB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218667106 AYOIWUKUXRVYPC-NJYVYQBISA-N 422.613 5.865 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222611820 JIXYWRKKHIOKAD-PDIWNELESA-N 402.567 5.387 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223550983 OKVXBPXHIQXDRJ-MMTNMYCKSA-N 401.554 5.993 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1 408902620 OWPSXXYECINTGE-DEDYPNTBSA-N 401.422 5.278 10 40 HKCB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 4551074 RASXAHPXVOTVRS-LDADJPATSA-N 407.472 5.051 10 40 HKCB O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccccc1 5028570 RJIJODURQWVKOA-AQTBWJFISA-N 409.557 5.978 10 40 HKCB Brc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 20680700 KLYFCRCTRIKBNK-CPUCHLNUSA-N 405.133 6.038 10 40 HKCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc21 223508962 JZOZMIWPNKOUPV-BUVRLJJBSA-N 413.565 6.211 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(OC(C)C)cc3)cc2)CC1 225656642 HHFZVZKFDRFKHH-IBGZPJMESA-N 411.615 5.758 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)c(F)c3)N21 260762838 HQNJGFUPJIAMKC-WTNAPCKOSA-N 410.562 5.190 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1 408900936 AGOFZTLVTMMRFR-HYARGMPZSA-N 418.587 6.117 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 409164199 DXFUYDXCGNHHQC-PEBVRCNWSA-N 423.123 6.177 10 40 HKCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(Br)c(Cl)c1 409339032 DMGVOUVLDIYTQY-KPKJPENVSA-N 400.706 5.101 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409348111 RFRDTVSGOPOYRT-QFNCUCFLSA-N 419.571 6.423 10 40 HKCB CCOc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1 2122441 ZRHVWRAUQGUIMH-UHFFFAOYSA-N 413.473 5.524 10 40 HKCB biogenic Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1 83317646 LJESMKXGSCVGDD-XNTDXEJSSA-N 407.809 5.798 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4ccc(OCc5ccccc5)cc4)C(=O)O3)ccc2c1 408725050 GKCAYIQAAVEXRB-QQXSKIMKSA-N 418.492 6.709 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccc1F 409130022 MZKPMJXHTHFFNC-FYJGNVAPSA-N 412.530 5.850 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409344488 JSPOHBOUJMRBCO-HKWRFOASSA-N 412.580 5.337 10 40 HKCB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O 409356595 IDMZOWMZKPYLIR-YVLHZVERSA-N 408.445 5.559 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 6963532 DWWQBBDHPWUBIR-UZINWLIJSA-N 418.005 7.767 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 35039002 NKIDEAUHOSPGTG-DEDYPNTBSA-N 413.564 5.452 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222834472 RPZDYEQBRFKUHD-UPVQGACJSA-N 418.610 5.487 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(F)cc2)cc1 408762289 JXQCSAFUDQCJSX-KOEQRZSOSA-N 422.459 5.822 10 40 HKCB CC(C)N1C(=O)/C(=C/c2ccc(COc3ccc(F)cc3Cl)o2)SC1=S 2797869 REOSRIFGXGIUAM-PXNMLYILSA-N 411.907 5.261 10 40 HKCB Cc1cc(C)c(OCC(=O)Nc2ccc(/N=N/c3ccccc3C)cc2C)c(C)c1 6238006 ONQDHAOENFVWBX-BYYHNAKLSA-N 401.510 6.662 10 40 HKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 7096048 SAEJRPUSFSFSHE-RQTOMXEWSA-N 403.978 7.459 10 40 HKCB O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 8994668 KUNBVVWSOQKJEU-JCMHNJIXSA-N 421.456 5.196 10 40 HKCB Nc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 28539624 CNBYDVFOKBAJID-UHFFFAOYSA-N 416.484 5.798 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1 37243119 HHDZJKDZTMYHPS-QXXWXNSCSA-N 418.625 5.914 10 40 HKCB biogenic CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222873836 CYYWOKDUYHPIMB-YADHBBJMSA-N 408.546 5.011 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 260619368 KHIHZTNPVJPQGC-UMEGOILYSA-N 408.586 5.520 10 40 HKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 408534479 QYGPOXKPIOYFBG-GDNBJRDFSA-N 404.695 5.129 10 40 HKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(F)c(F)c3)c2C1 2512803 UNWZYCBQMBAGNF-GFCCVEGCSA-N 416.265 5.950 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21 12374594 GABJEMYOCSTNBS-GQSCTRQFSA-N 402.925 5.745 10 40 HKCB Oc1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(Cl)c2cccnc12 20265752 AVMAPEYTCJBJBG-IBGZPJMESA-N 422.834 5.034 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)cc1 208196695 VLPARBUVWGRDHX-VOMLJKFNSA-N 419.594 6.053 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222952126 NKBTXIPXNDDOCO-PKTZIBPZSA-N 420.626 5.486 10 40 HKCB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C 260801648 JODSZKJCMCJLAN-ICSRJNTNSA-N 408.586 5.854 10 40 HKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc(C)ccc1C 408527627 DRXYVBWJEZQRNN-BOPFTXTBSA-N 412.331 5.401 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408761986 IOILXSNZKPAWDV-DEDYPNTBSA-N 421.815 5.222 10 40 HKCB Clc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1 3186042 XNIIRIJMRACHGY-UHFFFAOYSA-N 422.919 6.882 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 6044349 WWJUQCURWFUYRW-BKUYFWCQSA-N 410.514 5.279 10 40 HKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1C 13895746 CHCPUPHEROWFJK-HAHDFKILSA-N 412.489 5.389 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl 28287550 MQYLPFDDEYBKSV-GOSISDBHSA-N 423.944 5.110 10 40 HKCB c1ccc(CN(Cc2ccccc2)/N=N\N(Cc2ccccc2)Cc2ccccc2)cc1 104057463 NQOAYYLTRTXFRH-FLWNBWAVSA-N 420.560 6.673 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222917400 XXJMYLKUHLRPLO-RPWUZVMVSA-N 418.610 5.426 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(O)c3)C2=O)cc1 408983424 BQYOWFMONBOVAH-XMHGGMMESA-N 417.892 5.916 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1C 409148502 QBUDTSQPGUYRTC-OEAKJJBVSA-N 422.594 6.328 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(C3CCCCC3)C2=O)cc1OC 4739272 QHKRNTNTOBKPPY-RGEXLXHISA-N 423.940 5.957 10 40 HKCB C[C@@H]1CCCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1 4819973 ZDFSFPZAHDFSJH-MRXNPFEDSA-N 409.489 6.019 10 40 HKCB Clc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096025 OLJYNICISKGTFQ-OHUGHZGNSA-N 403.978 7.459 10 40 HKCB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(N2CCCCC2)cc1 10113102 OGIAKAKAGRDUFK-UHFFFAOYSA-N 406.954 5.019 10 40 HKCB COc1ccc(/N=N/c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)s2)cc1 16292605 JGVRCCHXSMEWEO-CYYJNZCTSA-N 413.546 8.259 10 40 HKCB c1ccc2[nH]c(/N=N/c3cccc4c(/N=N/c5cc6ccccc6[nH]5)cccc34)cc2c1 18181051 OPYYZEZGTXAJEB-JWTBXLROSA-N 414.472 8.633 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21 208447994 BUCUWGPGUZDTHJ-JAIQZWGSSA-N 423.969 6.054 10 40 HKCB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577820 MMXDIOCQKDJLJD-SVMVAKDDSA-N 414.977 5.611 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 408903227 WABUIUKNXISGMU-LFIBNONCSA-N 420.353 5.254 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1 408931870 RILQAENYROVCLW-LPYMAVHISA-N 419.912 5.149 10 40 HKCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(-c3ccccc3)cc2)OC1=O 409053565 ZSDRFQMQJVZRKQ-HAVVHWLPSA-N 404.465 6.497 10 40 HKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 409338068 CJKXLEOFIIAOFX-VCHYOVAHSA-N 403.956 5.781 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 2426225 DGFBEHNNOLINPG-RNXOBYDBSA-N 410.577 5.540 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1 4738981 BSOBBCJUCYLPHN-XQNSMLJCSA-N 407.900 6.965 10 40 HKCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260767638 OEMTXQIQUKGOTN-DLBZAZTESA-N 400.950 5.466 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)cc1 408811047 NHUVVABZKVGGLJ-UHFFFAOYSA-N 422.505 5.005 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 408902072 KFFNZDSAQNBDSI-YZSQISJMSA-N 405.501 6.053 10 40 HKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OC 409093398 ZOWPTANQBRVBLG-UYRXBGFRSA-N 418.880 5.192 10 40 HKCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccccc1F 409335222 ZMUSEBURMCVUHC-ZSOIEALJSA-N 412.280 5.133 10 40 HKCB Brc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096965 OFURWXPYPOORIS-KHCICDEESA-N 402.335 6.943 10 40 HKCB Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 13038434 ZYMOUWKZPLFJNE-QOYJSAPCSA-N 420.896 5.091 10 40 HKCB CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Br)cc2)cc1 16186468 QROLSNONOIKISV-QHCPKHFHSA-N 420.354 5.871 10 40 HKCB Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 58851253 ORXMYWYUEWQJHG-ZJTDPSCFSA-N 400.736 7.627 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3C)N21 222678293 NXHBIACKYJWGAM-CDNPAEQRSA-N 406.599 5.278 10 40 HKCB CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 224479416 JWSMFPVXYCZMSU-UHFFFAOYSA-N 411.398 5.389 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 408600536 CRFAZYFZYUINDZ-QNGOZBTKSA-N 405.544 6.034 10 40 HKCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1SCc1ccccc1 13671756 SIMVOCQXLCGSOM-UHFFFAOYSA-N 402.563 5.509 10 40 HKCB Oc1cccnc1N[C@H](c1ccc(Br)cc1)c1ccc2cccnc2c1O 49564998 DHWYBHIHZZDTBZ-GOSISDBHSA-N 422.282 5.005 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC 409343832 DOXFUUGJEYKNLM-ZHZULCJRSA-N 413.564 5.588 10 40 HKCB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)cc3)c2C)cc1 1465387 DWDWEWZRXKIHRF-UHFFFAOYSA-N 413.926 5.509 10 40 HKCB Cc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O 4571307 NVGVUQORWSKBCQ-VPTHRUTESA-N 407.333 5.078 10 40 HKCB COc1ccc(CN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 9295636 ADPTWMYNJFNRSE-MHWRWJLKSA-N 409.454 5.115 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc23)c1 58821995 NTSBOKLRQAIIEF-OVVQPSECSA-N 418.496 6.225 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 260753010 AONUXKQNOCGGRN-ZQMYSKGWSA-N 418.566 5.174 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccccc1 408765468 WEULFNUGFVUFKZ-UDWIEESQSA-N 411.263 5.967 10 40 HKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408799233 YOUZGWXKRWIRJW-VVTMIQRTSA-N 415.411 5.139 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 2119952 GVFWYEJBSJPMMR-KGENOOAVSA-N 409.555 5.256 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 4177368 ASPDZIWNGOYSKH-NVNXTCNLSA-N 424.330 5.044 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 32099527 YQHPCXQTAIARIZ-XDHOZWIPSA-N 420.852 5.413 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)c2ccccc21 33333731 AJDIRWCUBAPDCX-STZFKDTASA-N 415.493 5.681 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3)cc2)C1 260466316 NNZWHVNWSKULSD-ZWKOTPCHSA-N 417.018 5.687 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3F)cc2)C1 260508034 PIFLKZRQLSUUPT-ZWKOTPCHSA-N 400.563 5.173 10 40 HKCB COc1ccc(/N=N/c2ccc3oc(=O)c(C(=O)Nc4ccccc4C)cc3c2)cc1 17778432 ZJVMYWTYUAFFOA-CYYJNZCTSA-N 413.433 5.778 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409002307 SWZBPNJLDSYAIB-AQTBWJFISA-N 415.411 5.281 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409022852 GTCVBKNQYJYFCS-YVLHZVERSA-N 416.304 5.487 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(C)C 409348536 OGPBVXMMUZMLPD-ODLFYWEKSA-N 417.527 5.417 10 40 HKCB Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)NC1CCCCC1 6811160 MGXQSNGOMURLFO-UHFFFAOYSA-N 406.526 5.141 10 40 HKCB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1 9409410 CRUKOJQQTGZJEM-UHFFFAOYSA-N 416.521 5.860 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 37613807 UPZQBMUNPBQUAC-IGCXYCKISA-N 404.691 5.627 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 222703449 KGUAIQNZUWTTKD-CDNPAEQRSA-N 417.582 5.172 10 40 HKCB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578101 VYPHDNNYUSYLNM-LEEZEASISA-N 408.586 5.575 10 40 HKCB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN(CC)CC)c1O 2196636 ZEOPXGBTZBRAML-UHFFFAOYSA-N 422.550 5.488 10 40 HKCB biogenic O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 8821809 FKGVCAFFGVWGMQ-WOJGMQOQSA-N 424.865 5.381 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C1CCCCC1 13602691 DIIVAZCRTXWVKP-PDGQHHTCSA-N 414.508 5.389 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 38177468 GGIMIUIFMXHWSS-MOSHPQCFSA-N 419.864 5.076 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408936363 FQQZGAXEXPJAAU-FYJGNVAPSA-N 420.871 5.864 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc([N+](=O)[O-])c1 408987786 YDULWKLOJMLBRI-QGOAFFKASA-N 402.837 5.720 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409151857 HVCCOCNNJFSXIS-PSTGCABASA-N 406.225 5.636 10 40 HKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S 409369557 CVSOURJSNNUJIB-PXLXIMEGSA-N 418.587 5.982 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 1242984 JAVUGGZZMJYRPP-VIZOYTHASA-N 412.319 5.113 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)c1 409165537 ZGACXMVNYWOSNO-MFSJNOQSSA-N 402.881 6.742 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1C 4712920 RMCWHDHXBHEBHF-PJOFKPAXSA-N 416.352 7.249 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)SC2=S)cc1 5172103 BUMMUFJVEANZMH-MOSHPQCFSA-N 407.516 5.263 10 40 HKCB Cc1ccc(C)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 6275917 VRZMSIDLULTMBR-GQIGUUNPSA-N 401.291 5.735 10 40 HKCB CN(C)c1ccc(CNCC[C@]2(Cc3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 32074593 UTZYUTKEYFHNDB-RUZDIDTESA-N 415.021 5.704 10 40 HKCB CCOC(=O)c1ccc(-n2c(C)cc(C3Nc4cccc5cccc(c45)N3)c2C)cc1 70453973 STDFLQZTADBMFG-UHFFFAOYSA-N 411.505 5.960 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@@H]21 101141924 POHNNZIHPZIYMQ-PLNGWDEDSA-N 412.489 5.692 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12 144209770 QGQLGYUURFRFGG-JLPGSUDCSA-N 424.525 6.488 10 40 HKCB O=C1/C(=C/c2cccc(C(F)(F)F)c2)SC(=S)N1c1cccc2ccccc12 409349683 QLTMPNODSIRDRW-PDGQHHTCSA-N 415.461 6.264 10 40 HKCB CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC 4610974 VGXIORRNIOYSOQ-MHWRWJLKSA-N 419.308 5.597 10 40 HKCB Oc1c([C@H](Nc2ccccn2)c2cccc(Br)c2)ccc2cccnc12 5590469 CEZRPXUKXINVND-LJQANCHMSA-N 406.283 5.299 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@H]2C=CC[C@H]21 8336139 RSKCYQDLZYNWOI-BXTJHSDWSA-N 404.735 6.246 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1 13217557 QRBKPGMONBGFLJ-ARBPROEFSA-N 412.518 5.414 10 40 HKCB Cc1cn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 13602842 ZPCLRUMZTGLQCJ-BKUYFWCQSA-N 404.560 5.496 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 223109265 BQPNIUMGQFJIMH-RTWAWAEBSA-N 408.586 5.753 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Br)cc2)N1c1ccccc1 408846903 ZLMQUTYOAZPOLA-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CCCN1/C(=C/c2ccc3ccccc3[n+]2CC)Sc2cc(NC(C)=O)ccc21 5027452 LBYZZNPYRRUONZ-UHFFFAOYSA-O 404.559 5.426 10 40 HKCB CC(C)(C)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 5371432 BETAKDKHTKPTFF-PDGQHHTCSA-N 417.983 5.919 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 7097084 KLQBNLNRIHAPJP-HFMPRLQTSA-N 402.335 6.943 10 40 HKCB N=C1/C(=C\c2cccc3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12 33416666 IJWXNNKWHQYBBE-NCNWTYLVSA-N 416.550 5.819 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222784577 RWJJYGROXNNBPH-LEWJYISDSA-N 410.974 5.135 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222827436 QFSJVAWRHIEHLE-XZOQPEGZSA-N 404.583 5.178 10 40 HKCB C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCCC2)cc1 225663088 ZZDRGWIPODQTMS-HNNXBMFYSA-N 418.404 5.487 10 40 HKCB COc1cc(C2=NN3[C@H](c4ccsc4)Oc4ccc(Cl)cc4[C@H]3C2)ccc1O 248130901 KDGKSELMQKKXOX-UTKZUKDTSA-N 412.898 5.358 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@@H]21 409157487 QWEOHCABBWTBDN-VGTOOOLASA-N 417.780 7.204 10 40 HKCB Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)cc1-c1nc(O)c2ccccc2n1 409265029 NJSFSXVTXASSTQ-QPLCGJKRSA-N 411.248 6.430 10 40 HKCB Cc1cn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 13602847 GCLMPTSOBYBQIW-NDENLUEZSA-N 424.978 6.153 10 40 HKCB Cc1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(C)n1-c1ccccc1F 25613269 ZLVUYWGPFMJYEG-UHFFFAOYSA-N 414.484 5.039 10 40 HKCB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219377141 VYPHDNNYUSYLNM-IZIIKQMZSA-N 408.586 5.575 10 40 HKCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225668706 JNJVQOUNWKEVHP-WBVHZDCISA-N 402.007 5.932 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 408600707 FFDAVDMHFVTMFB-YVLHZVERSA-N 424.374 6.188 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCC(C)C)cc1 409031277 AHCGDLFDLHONNB-RIYZIHGNSA-N 424.369 5.223 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)CC 409348249 RUAHGHJCYJAHEN-AUQXIXNCSA-N 413.564 5.668 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 706008 GABJEMYOCSTNBS-LPTDTENNSA-N 402.925 5.745 10 40 HKCB COc1ccc(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCCCC3)cc1 2182445 ZJBRREHUCMPNAQ-UHFFFAOYSA-N 424.541 6.029 10 40 HKCB CC(C)CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 16699676 FOIWUJJUXGJNSI-SZHLLGMXSA-N 411.592 6.074 10 40 HKCB O=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=N\c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104071003 DGGOIOMXJOCAKL-DQRAZIAOSA-N 408.214 5.956 10 40 HKCB O=C1/C(=C\C=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(Cl)c1 113831147 OMRWZGFZTCTHHY-YLLJGFRVSA-N 401.896 5.031 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219302330 CCKLCVPFFHQWAQ-FCHUYYIVSA-N 408.586 5.493 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)O2)cc1 408741378 IMDFFLNIFRUULA-GDNBJRDFSA-N 422.820 5.288 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccccc1 408759873 NGQBMHPWEHOERU-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O 409017337 FUKPFKSEXDFUSP-HFITWMCCSA-N 410.583 6.226 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 4106871 LSJYPAXOTKJBBQ-DEDYPNTBSA-N 408.910 5.988 10 40 HKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 14415077 OTDXPIVSXFKUTQ-MOHJPFBDSA-N 411.501 5.145 10 40 HKCB Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1 100292361 GAFJJSYOYXYHJG-NZXNHFJFSA-N 402.479 5.108 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2C(C)=CC1(C)C 208503729 OKZSCMPPYJKIPE-HMAPJEAMSA-N 417.578 6.099 10 40 HKCB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccc(Cl)cc1 222588940 MCQILKKTWIFFSG-JHVJFLLYSA-N 408.958 5.423 10 40 HKCB COc1cc(Cl)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 409051845 GQEGWTHOCAHOCN-NVMNQCDNSA-N 419.955 5.067 10 40 HKCB CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O 409358013 JPJRSTPPAKLBFB-KGENOOAVSA-N 410.539 5.168 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S 2571013 VWMYBPDTPQQFEC-MFOYZWKCSA-N 424.374 5.794 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)SC1=S 2959463 UFQISYGVFYFHFA-STZFKDTASA-N 405.544 5.640 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2F)SC1=S 5551861 XSVXWLCZBTUAPL-SDXDJHTJSA-N 423.575 5.622 10 40 HKCB CCCCN1CCc2cc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)ccc21 9015838 AFBVPRCSOXSZNL-XMHGGMMESA-N 423.900 5.009 10 40 HKCB COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)ccc1O 10215518 KDGKSELMQKKXOX-DYESRHJHSA-N 412.898 5.358 10 40 HKCB COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(F)F 16740830 XVJTZKBRECHVOR-PBSOMRJOSA-N 421.490 5.259 10 40 HKCB COc1cc(OC)c(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br 408742963 QVJRFUIOLAASHU-NTUHNPAUSA-N 421.674 5.101 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1 409001484 WCRHDEGDPTUYBE-HZHRSRAPSA-N 412.489 5.155 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 1438726 QITZBBZXFQWJMY-IUXPMGMMSA-N 405.928 5.071 10 40 HKCB CC[C@@H](O)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 4027939 MMQFGDDRJDGHHV-QGZVFWFLSA-N 401.418 5.284 10 40 HKCB biogenic COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)C 15008368 AMKGFBCAIUEBNK-UDWIEESQSA-N 413.564 5.505 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc4c(c3)C(C)=CC(C)(C)N4C)N21 222672854 LQUHWVRNEQFTQW-OFAXGOBFSA-N 418.610 5.693 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408755915 GIJMDEOSENLHQH-LPYMAVHISA-N 404.901 5.257 10 40 HKCB Cc1cccc(COc2ccccc2C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)c1 409145338 OLQGIRJGGSUOLS-NRFANRHFSA-N 423.559 5.139 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 2323955 NJNWBYGRQCXUMN-XSFVSMFZSA-N 424.591 5.232 10 40 HKCB COc1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 8821563 OWUMARGMZIPTGH-YVLHZVERSA-N 424.374 5.446 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 12385133 KOLACZLVBICEFL-WPIDTTEISA-N 417.509 5.436 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 100552401 TYDCUGUINZGTFB-ZROIWOOFSA-N 403.294 5.322 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(F)c1 260759149 FDPFHTGZBCGMSK-KBJGYGKASA-N 406.530 5.218 10 40 HKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(C)cc1C 408526376 BEVLNPOFNQSRNU-BOPFTXTBSA-N 412.331 5.401 10 40 HKCB Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)O2)cc1 408741238 HRFJPZNBMIXSLE-YBEGLDIGSA-N 406.821 5.588 10 40 HKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408987823 YTKOPFKCDILTLV-CAPFRKAQSA-N 401.893 6.210 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 409240285 PJDZIXDNRFDRHL-ZVHZXABRSA-N 413.521 5.112 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 409345198 KFFXHZDDEPKBJM-ODLFYWEKSA-N 413.520 5.000 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccccc2Br)SC1=S 6151005 IMTMTPVPHLHOAE-IEMQHYRPSA-N 419.369 5.324 10 40 HKCB Cc1noc(C(C)C)c1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 7411751 ONTOAASZBRNZQL-OCOZRVBESA-N 406.442 5.317 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9188707 WHZCYEQMWVXWIG-VULIGXMUSA-N 401.556 6.316 10 40 HKCB CCOc1ccc(/N=N/c2ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)cc2)cc1 104389419 KTAYWQSBDYZAKM-CFPQKXLCSA-N 410.455 6.163 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222612050 LMPKRBGLNRKLDW-IMRHEYAYSA-N 402.567 5.387 10 40 HKCB O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 409179199 KUGBYZFPXICNQQ-AUWJEWJLSA-N 417.836 5.904 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2C)SC1=S 1179574 HSLHGPXIEHPYQM-WQRHYEAKSA-N 403.956 5.449 10 40 HKCB O=C1c2ccccc2C(=O)c2c(NC(=O)c3sc4ccccc4c3Cl)cccc21 17091246 MIJWZBBMVDDRIH-UHFFFAOYSA-N 417.873 5.582 10 40 HKCB CCOc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)nn1C(=S)S 17140012 JUGUFCFAXATHCK-QZQOTICOSA-N 402.932 6.080 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)cc1 20324785 XWKHFYSPNXXWBH-UYRXBGFRSA-N 423.584 6.286 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486900 IJRHJQJXMMJUEF-JTSKRJEESA-N 410.857 5.280 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(F)cc2)cc1 408758814 RQNJJIRWDRAFDY-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2cccc(C)c2)C1=O 408759369 CXBGQMFOUIJRGP-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 409162036 CDTFPHKUXBFPHE-XNJGSVPQSA-N 405.679 5.837 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409345944 LVZJLIZFBHZDMV-ONDHQXCVSA-N 415.605 5.992 10 40 HKCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1 13228184 KFZMKDFYKJWSSH-ZSOIEALJSA-N 406.319 5.276 10 40 HKCB CCN(CC)c1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 19625243 ZTEGCRGNKDBGDC-SANMLTNESA-N 422.532 5.852 10 40 HKCB COc1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928564 VVIGWOLHCUNOSB-SLSDLSHTSA-N 417.936 6.754 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)Nc1ccc(Cl)cc1 225465382 HDBWYMONPBESOE-UHFFFAOYSA-N 401.318 6.033 10 40 HKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225704273 GLTYJHCLTQXTJH-FNZWTVRRSA-N 420.597 5.591 10 40 HKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 408812331 ONMHNXQSRROTBF-UNOMPAQXSA-N 405.431 5.194 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409056819 OCCUWPZHQNGODD-LCYFTJDESA-N 422.695 5.524 10 40 HKCB Nc1ccc(/N=N\c2ccc(-c3ccc(O)cc3)cc2)c2ccc(S(=O)(=O)O)cc12 12671989 TZXHCHLXKLYXEN-IZHYLOQSSA-N 419.462 5.457 10 40 HKCB in-vitro CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 30819137 UWRLFEPMDATXAR-AXPJIBDUSA-N 412.902 5.409 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 112290352 IFLZMFZHXBCUFB-ZHZULCJRSA-N 424.957 5.516 10 40 HKCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 224170361 VASJVZNXTWZASI-PMACEKPBSA-N 406.570 5.200 10 40 HKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408759383 DDOQMUFIPFYDRS-YBFXNURJSA-N 420.827 5.042 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 409156828 TXLHJKMDAZCUPT-QWQRMKEZSA-N 401.260 5.192 10 40 HKCB Cc1ccsc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O 4615237 SDMIVYMMOIJHSA-UYRXBGFRSA-N 409.557 6.255 10 40 HKCB CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 12278487 HHJJABMEGROKMS-LXBAEQJTSA-N 422.575 5.035 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 12285374 HZJCQTNFEBYEGX-AXPJIBDUSA-N 412.902 5.409 10 40 HKCB Cc1ccc(N(c2ccccc2)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)cc1 16292622 FNBMQJJFYXEDCU-OCOZRVBESA-N 414.490 7.850 10 40 HKCB O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 20506472 HECOOGIMGIPIGR-RUZDIDTESA-N 424.456 5.733 10 40 HKCB COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1OC 58851332 JXUJDWKFHYYZAZ-LIBAHTEVSA-N 410.728 6.491 10 40 HKCB Cc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 59484125 JIBNGQCVUKVGCB-UHFFFAOYSA-N 410.473 5.195 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 222696714 FJTCZCSKFBCTJE-OFAXGOBFSA-N 420.557 5.608 10 40 HKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408983814 CVMLYHQZDUYWQJ-XSFVSMFZSA-N 420.339 7.027 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 1180071 JPKSXEIDUBFMME-XSFVSMFZSA-N 424.591 5.232 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccnc3)C2=O)cc1 6366165 STCSRCXCNWYCPQ-XMHGGMMESA-N 402.881 5.605 10 40 HKCB Cc1cccc(COc2ccc3ccccc3c2/C=C2/SC(=S)N(C)C2=O)c1 6504307 NHSQEDFMCOGGJK-FYJGNVAPSA-N 405.544 5.558 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1CC 100163498 GWMJVERUJMVGNI-QNGOZBTKSA-N 404.539 5.748 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222828226 NCKNJIFAWXBCOY-BJKOFHAPSA-N 418.610 5.432 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 409021763 XSSJJUBYKHGLPT-NDENLUEZSA-N 409.913 5.649 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@H]4C=CC[C@H]43)cc2)cc1 19891408 JKIBNJANVUIJOM-FBLLAGFSSA-N 401.937 7.054 10 40 HKCB COc1ccc(-n2c(C)cc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c2C)cc1 22006926 UZXAWSGIQPMHRO-UHFFFAOYSA-N 414.889 5.026 10 40 HKCB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 84093310 ZVNZRVMVNLSLMQ-UHFFFAOYSA-N 423.944 5.145 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 100552416 BIKMNCYTBUNLCL-ZROIWOOFSA-N 403.294 5.322 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208440938 ZDBBMZDUSMZEFM-NDENLUEZSA-N 421.928 5.065 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)CC1 218676914 DDKSXAAGKGZHMH-MSOLQXFVSA-N 400.950 5.221 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 408756822 URDSRKNGRFHXHR-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C1CCCCC1 26965997 GMSJQYJYYCTULF-PDGQHHTCSA-N 403.956 6.134 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C 208238098 RGUQIRAHTJCWBO-SLDJAQPHSA-N 407.945 5.868 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21 208447652 KMRWYBPIEVBHOH-NDENLUEZSA-N 423.969 6.054 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc4ccccc34)cc2)C1 218914522 RBHZTYWWGOPSJM-WOJBJXKFSA-N 402.538 5.332 10 40 HKCB O=S(=O)(Nc1cc(SCc2ccco2)c(O)c2ccccc12)c1ccccc1 4945027 SMFNOSSDKRVULH-UHFFFAOYSA-N 411.504 5.232 10 40 HKCB O=C1c2ccccc2C(=O)c2cc3nc4c5ccccc5c5ccccc5c4nc3cc21 5218086 VHIGDOFOYLTIIL-UHFFFAOYSA-N 410.432 5.865 10 40 HKCB CCN(CC)Cc1cc(Nc2nc(/C=C/c3ccccc3)nc3ccccc23)ccc1O 5499423 PWTUOKSHPUZXPN-SAPNQHFASA-N 424.548 6.091 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 9232352 RTYLOPQQPUGTHB-LFIBNONCSA-N 420.353 5.254 10 40 HKCB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17090285 ZAKSTYDRHRFVHY-QJOMJCCJSA-N 415.468 5.361 10 40 HKCB COc1ccc(Br)cc1/C=C1\SC(Nc2ccc(Cl)cc2)=NC1=O 107545135 LESKBJXETXVSRO-DHDCSXOGSA-N 423.719 5.194 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1F 260766439 KAYMOCMSAMCTPE-UJUVCNOISA-N 406.530 5.218 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2Cl)cc1 408767636 ZGYARFPCSOAXSK-RCCKNPSSSA-N 418.880 5.192 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409338759 AIHXXOGTZFPTJG-LICLKQGHSA-N 421.996 5.866 10 40 HKCB Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cc1 2067117 RFQLYLMHJNCQNF-UHFFFAOYSA-N 408.339 6.370 10 40 HKCB CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2307188 PAINRSRGPIYXAT-SSZFMOIBSA-N 411.976 5.055 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 6324053 CJINKZMNJHBIAR-YRNRMSPPSA-N 405.891 7.483 10 40 HKCB COc1ccc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)c(OC)c1 8473014 RVXAXIZSVJPPAY-FRKPEAEDSA-N 409.294 5.093 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1 9188785 MHHPULHNZBZNDQ-WJDWOHSUSA-N 404.354 5.417 10 40 HKCB CCN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)Sc2ccc(Cl)cc21 100199733 JQVYRHXHJCWUBF-ICFOKQHNSA-N 411.017 5.634 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)C1 217907080 BMIVKTPKLKEPEV-OKYZRPEMSA-N 417.380 6.120 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccc(Cl)cc3)cc2)C1 218736909 XEZOBACVUZBZNC-RTBURBONSA-N 414.977 5.613 10 40 HKCB COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 226741764 UBWFCBDFUHQSOA-SLSDLSHTSA-N 411.501 5.879 10 40 HKCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260767644 OEMTXQIQUKGOTN-IRXDYDNUSA-N 400.950 5.466 10 40 HKCB CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C[C@@H](C)CC)cc1 4679300 QZJHZTVTTONZFV-INIZCTEOSA-N 413.949 5.966 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 9158565 ONBXXLYKKFFHCE-ODJOWLHGSA-N 423.517 5.043 10 40 HKCB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)cc1 10113511 AEGMEZQMDQMULJ-UHFFFAOYSA-N 416.590 5.818 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c1 15346878 KHTPRHDZCKKLOR-RIYZIHGNSA-N 410.303 5.097 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 58929084 YFKQICZOLVNGRJ-IGCXYCKISA-N 405.679 5.837 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Cl)cc2)cc1 408764195 SHTGACWLALPQDP-KGENOOAVSA-N 406.844 5.322 10 40 HKCB Cc1c(/C=C2/SC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl 409342455 FDNBFJALZVIRME-YBFXNURJSA-N 412.967 5.482 10 40 HKCB CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1183431 COBKQIGGHWGDBN-HKWRFOASSA-N 424.591 5.178 10 40 HKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 4598722 ICVYCSIMZMETLU-BXODQFHZSA-N 412.902 5.265 10 40 HKCB Brc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1 7097740 RJMQTSXJQCSXGU-XJUOHMSHSA-N 402.335 6.943 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1C 96921076 FPGRLVKLXVPYGR-PXLXIMEGSA-N 417.555 6.502 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)cc21 222817126 KNPGEDYTPPOVFM-FGZHOGPDSA-N 406.599 5.094 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222961834 GCJAGVKSFZRQGM-PKTZIBPZSA-N 404.583 5.262 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCC2)cc1 225664649 ORUJSVMWWPLTNF-OAHLLOKOSA-N 407.505 5.743 10 40 HKCB O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 226862146 NKBAXTDMWKMBRV-OCEACIFDSA-N 413.502 6.155 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408744172 XGTBVGMJZNUZBH-RAXLEYEMSA-N 417.675 6.888 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)c1 408766932 XDMZKMFLEUJHSP-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409330711 LIRVQPPIFGALMU-STZFKDTASA-N 405.544 5.640 10 40 HKCB Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1 940832 SQRMMLZBFZELJU-FQEVSTJZSA-N 409.411 5.864 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccc2c(c1)OCO2 8869526 YDMNYGXERKWBHY-RGVLZGJSSA-N 421.499 5.077 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 33795716 BMAIHVAOOMAPIP-STZFKDTASA-N 409.555 5.256 10 40 HKCB Cc1cccn2cc(COc3ccc(C4Nc5cccc6cccc(c56)N4)cc3)nc12 70453907 ZWZTYZMUSVUZDW-UHFFFAOYSA-N 406.489 5.911 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3cccc4c3CCCC4)cc2)C1 260767475 OZYWRWLXMDCDHW-PMACEKPBSA-N 406.570 5.058 10 40 HKCB CCOC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(OC)cc3)c2c1N 642921 VHAQQCHNQYKATD-UHFFFAOYSA-N 410.520 5.459 10 40 HKCB CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccccc3)n3c(nc4ccccc43)C1=C2 4981627 CAAOQYMYFICUBJ-RUZDIDTESA-N 420.516 5.775 10 40 HKCB CCCN(CCC)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 7159892 UWRCTWZKAYRDSR-HTXNQAPBSA-N 400.522 6.046 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 40006103 TYKSIURIUQYVJE-ODLFYWEKSA-N 417.983 5.776 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 103557379 RCDMAYIXSKDUKC-XSFVSMFZSA-N 420.871 5.864 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208221323 RYHLCOVLNPFDSA-JHDSZEHQSA-N 406.551 5.645 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219367800 LKLXGADAFIMQOJ-URXFXBBRSA-N 408.586 5.575 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)C1 225692062 CZNBVPMOWIJFGY-IBGZPJMESA-N 423.626 5.731 10 40 HKCB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486793 TVDGONDTPAVSRV-HRAATJIYSA-N 412.898 5.358 10 40 HKCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\N1CCCCC1 408536779 XZLFRTXVRWVQBP-ULJHMMPZSA-N 403.570 5.247 10 40 HKCB CC(=O)Oc1ccc(/N=N/c2ccccc2)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O 408742981 QXBDHZMCABWDGB-JCVVDVMVSA-N 424.456 6.317 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408985063 LENTYKBIVLMGOG-XSFVSMFZSA-N 420.339 7.027 10 40 HKCB CCCCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 4959840 VHEHQRCJBYQVCQ-LJQANCHMSA-N 403.309 5.643 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)c1 6886425 FCBVPFOHMOLRIT-XDHOZWIPSA-N 421.499 5.359 10 40 HKCB COc1ccc(C2(NCc3ccc(OC)c(Cc4c(C)noc4C)c3)CCCC2)cc1 12293034 OXIIFQQRVXIMFQ-UHFFFAOYSA-N 420.553 5.459 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OCC)c1 13785213 BRCJVWKXCBHUPB-CTFRJJSNSA-N 413.564 5.446 10 40 HKCB Cc1cc(CN(Cc2cccnc2)Cc2ccccc2F)c(C)n1-c1ccccn1 57796901 UCZHXHWRXKDCAJ-UHFFFAOYSA-N 400.501 5.226 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(F)cc3)cc2)C1 260577913 PIPJLPMPFMHREN-ROUUACIJSA-N 400.563 5.173 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4321195 WVZQWGLWOHMWAG-FRQCXROJSA-N 405.254 5.565 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 12628191 LKUMCYYTYFPFIC-QCUKBLKESA-N 413.315 5.433 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(C)cc2)cc1 408766076 ZDQVHNSZJWZQLZ-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409340433 XBUORJRSOZLKJL-HTMJNSLASA-N 414.508 5.178 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccccc2)cc1 97944937 NMJPYUHDSJRLOM-PLRJNAJWSA-N 412.489 5.341 10 40 HKCB COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 107578132 DEQRKANJJXXFEK-QHWMMSMNSA-N 423.512 5.563 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 4817285 LFJRRMWGJUWZMX-XEKQOVJPSA-N 405.281 6.127 10 40 HKCB CC(C)c1ccccc1NC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 32716524 XDUYHVHMUIUEIT-UHFFFAOYSA-N 403.865 5.491 10 40 HKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1 83262035 QLDFEIOCSJDWEU-NBVRZTHBSA-N 415.445 6.134 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1cccc2ccccc12 113836837 WOEZBDJDSFTNLU-PXLXIMEGSA-N 413.523 6.506 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222612923 AKWSWGCQEMHNIM-VWMXVWASSA-N 416.594 5.641 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc4c3CCCC4)cc2)C1 260769526 OZYWRWLXMDCDHW-VQTJNVASSA-N 406.570 5.058 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Br)cc1 408752215 CIAJRDUNBVSCNW-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408987285 VYJDBKISSDOLRS-XDJHFCHBSA-N 415.876 5.598 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S 409039024 QIGKZSJRRGPEQI-ODLFYWEKSA-N 417.983 5.776 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409054527 BFINJDWBMLXUNM-LGMDPLHJSA-N 420.336 5.557 10 40 HKCB COc1ccc([C@@H](Nc2ccccn2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 1572794 QQHYEOPHRYYZCV-XMMPIXPASA-N 418.581 6.592 10 40 HKCB in-vitro CCOc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O 4553684 QILDMOSYIDWIOE-RBZFPXEDSA-N 414.571 5.822 10 40 HKCB COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC(C)C 6822251 FYVQUMOSDWNYQA-WQRHYEAKSA-N 416.930 5.527 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccccc1C(=O)O 16160836 BNSUMIXPHSZFDF-WQLSENKSSA-N 424.671 5.064 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 59459805 HFIBHFVUFYZAHC-AUWJEWJLSA-N 411.291 5.307 10 40 HKCB O=C(Oc1cccc(/N=N\c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 100367865 FCTSSWFCZGVIME-DQSJHHFOSA-N 422.440 6.540 10 40 HKCB C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 225336819 GZDBCOVKAKQWNW-INIZCTEOSA-N 405.369 5.794 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ncccc4C)c3C)N21 260786329 WEOKKAXNFPVBRL-COPCDDAFSA-N 417.582 5.172 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 408754622 KZHXUPVZMJSUNC-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccccc2)cc1 408762210 DGZPBHDXNVHTCT-XIEYBQDHSA-N 404.469 5.683 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 408903466 YHJGNKIOZJKKSU-UDWIEESQSA-N 408.523 5.639 10 40 HKCB COCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2824583 RYKDAXVLFIVFEL-DHDCSXOGSA-N 414.335 5.101 10 40 HKCB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C 225667265 JODSZKJCMCJLAN-UYAOXDASSA-N 408.586 5.854 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(Br)cc2)cc1 408755875 WOFQKPONUABZTO-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409201271 LBXYBEUGEFDBTF-DEDYPNTBSA-N 412.942 5.880 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 1022886 GABJEMYOCSTNBS-IMAQQZIHSA-N 402.925 5.745 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 4893420 UDGAMNDDXYSQRS-STZFKDTASA-N 414.457 5.264 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCC[C@@H](C)C4)=NC3=O)cc2)cc1 6841160 RDVFVOKXKQLYDR-QWQBBLJPSA-N 406.551 5.276 10 40 HKCB NC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccccc2Cl)c1-c1ccccc1 104222674 HKMFTEZOWQIZMO-OCEACIFDSA-N 417.925 6.378 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc21 208448706 OAAFCCOUSWFSKO-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc2C(C)=CC1(C)C 208505158 IAAMWBYXWCYNLQ-HMAPJEAMSA-N 417.578 6.099 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222963872 CABLTWDEOVAPOH-DHIUTWEWSA-N 422.573 5.401 10 40 HKCB COc1ccc2cc(C3=C/C(=C/c4cccc(Br)c4)C(=O)O3)ccc2c1 408723094 QGTAORRASHERPT-NVMNQCDNSA-N 407.263 5.592 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 408840148 BMLZQIOXGVVUCD-XSFVSMFZSA-N 423.299 5.837 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1Cl 408986938 SZUICWDVJJMQNH-QGOAFFKASA-N 422.311 6.473 10 40 HKCB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 3248691 HCGZQVOUCOCPDE-INIZCTEOSA-N 422.500 5.542 10 40 HKCB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222970392 KHILJFMITDYXFA-ZJSXRUAMSA-N 408.586 5.575 10 40 HKCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 409340154 RHXLPCKWTXOQLE-MFOYZWKCSA-N 407.919 5.672 10 40 HKCB O=C1/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC(=S)N1Cc1ccco1 2411110 CNNUKOWZNIIGQX-YVLHZVERSA-N 424.528 5.551 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 3999522 CJDVXNWSHASYPB-MSBWEVJISA-N 403.909 5.933 10 40 HKCB COc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 4959484 NUAVAFAHUHNVNE-KSMMKXTCSA-N 403.263 5.126 10 40 HKCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccccc1C(F)(F)F 8427620 KMZPXCMJCSJTRQ-OQLLNIDSSA-N 412.433 5.115 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 13786052 XXYFMFFFHARMHY-UNOMPAQXSA-N 420.852 5.413 10 40 HKCB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1 224220208 LEBKWALALXXCQE-DQEYMECFSA-N 424.573 5.666 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766221 JIXYWRKKHIOKAD-NLSFWIRASA-N 402.567 5.387 10 40 HKCB Cc1cc(-n2c(C)ccc2-c2ccc(Br)cc2)ccc1Br 408966400 MOPJWFWTEQMRDD-UHFFFAOYSA-N 405.133 6.286 10 40 HKCB CC(C)CC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 4656112 WRBJJZYAQFKOQA-DODDZMEZSA-N 412.902 5.265 10 40 HKCB CC(C)c1ccc(Oc2ccc(N)cc2)cc1-c1ccc(Oc2ccc(N)cc2)cc1 87491458 HVNPLIMCLVMLRR-UHFFFAOYSA-N 410.517 7.226 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)c1C 208193577 SDVKQODOPGVRPU-GLFIFPSUSA-N 419.594 6.108 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(F)cc2)cc1 408763816 PBVGGQKQNUQPFL-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409035980 RBGQLORYILJJKC-RSYJBZMQSA-N 424.369 5.366 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2ccccc2s1 6020165 WJMZWTVDTJOJFC-RGEXLXHISA-N 415.905 5.784 10 40 HKCB Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc2ccccc12 17144368 AWDQWBMHVSKLEM-UHFFFAOYSA-N 407.926 5.625 10 40 HKCB Clc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c(Cl)c1 58851286 QLBZQAYJSMLLPR-GPHJXTMHSA-N 419.566 7.780 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(OC)cc2)cc1 408765383 PFVRBJYBBIOLAS-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)nc1 408961579 NLXDYYDZMUBMIG-XDHOZWIPSA-N 405.548 5.203 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 408971207 DNVUFRQOOPCSMR-UYRXBGFRSA-N 424.378 5.498 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 409169003 OQCGFTDIWBNWSH-JQYIIUTOSA-N 418.005 7.767 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409176051 XOQFLVXELCSIFR-YRUZYCQGSA-N 408.712 6.260 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(F)F 409357283 PTERYTJHUSKXBO-GZTJUZNOSA-N 421.490 5.401 10 40 HKCB Cc1cc(N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)no1 1098206 QDXYZNJWYYPKMK-GOSISDBHSA-N 400.265 5.745 10 40 HKCB CN(CCOc1ccc(Cl)cc1)Cc1c(O)ccc2cc(Br)ccc12 3402282 QPHRNJDFMIGWBY-UHFFFAOYSA-N 420.734 5.472 10 40 HKCB O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 9445105 SEXCGDMMRAIYJO-CYYJNZCTSA-N 421.412 5.754 10 40 HKCB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)oc2c1 15831061 JLEYQXADNJWQOM-UHFFFAOYSA-N 416.521 5.860 10 40 HKCB COC(=O)[C@@]1(/N=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)CCCC1=O 33354007 FGXYBZXULAIHKO-SAPGLNIQSA-N 414.461 5.475 10 40 HKCB CC(C)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 59463847 RUUUQPJYZRNBRS-XQNSMLJCSA-N 411.461 5.553 10 40 HKCB C/C(Nc1ccc(C)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920851 PHVQRWGZSZZSLC-XLNRJJMWSA-N 412.449 5.040 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2OC)cc1 408840178 CHGGPAYLAHXWTL-CJLVFECKSA-N 416.452 5.068 10 40 HKCB COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2160153 UBHDFXBGYPQKTN-UHFFFAOYSA-N 404.293 5.899 10 40 HKCB COc1ccc(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1Cl 8764941 GDRMJDLGDDLWBK-UHFFFAOYSA-N 419.864 5.479 10 40 HKCB biogenic CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1 58884048 MCQJHSNHPLBEAG-JCMHNJIXSA-N 405.494 5.086 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1 59425979 UZFHFWJGMIFHJS-VBKFSLOCSA-N 403.390 5.153 10 40 HKCB CCc1ccc(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 100700717 ZQXVLHAEIMCEKE-SDNWHVSQSA-N 416.428 5.120 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408756081 TWIAIRJSZSRDQB-LFVJCYFKSA-N 410.423 5.953 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409020485 PUWKDPDAOGOKIR-KECVIQKOSA-N 406.910 5.721 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1 409125198 MUMXBULROUXQKX-HYARGMPZSA-N 424.566 5.719 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409342976 CCONFDNMKNCXAG-YQNUULROSA-N 415.605 5.992 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409352876 ZDSDHRQVIWCXSN-XDHOZWIPSA-N 412.967 6.111 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13389217 VSSFMNHIUGMXMU-LPMFXHHGSA-N 406.309 5.846 10 40 HKCB CCOc1c(/N=N/c2cccc(Cl)c2)c(-c2ccccc2)nn1C(=S)S 17140010 LQZROICRXYVSHK-QZQOTICOSA-N 402.932 6.080 10 40 HKCB COc1cc(-c2ccc(/N=N/c3ccccc3)c(OC)c2)ccc1/N=N\c1ccccc1 104323911 MMOYRWFODWJWKM-JOKXDOCYSA-N 422.488 8.202 10 40 HKCB Cc1cc(CN(C)C(=O)c2ccc3sc(Cl)nc3c2)c(C)n1-c1ccccc1 225985727 JJWDEZTXSUZHCP-UHFFFAOYSA-N 409.942 5.629 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 301198824 PWEOHABMUQOQND-ZFZZVZNFSA-N 404.495 5.407 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408984621 IQTPDDZQTSDLGU-CPNJWEJPSA-N 406.312 6.773 10 40 HKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 409134263 NYTCZHGQAKKNTP-RCCKNPSSSA-N 412.555 5.119 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1 409347604 MHRGVPVAPKALBB-VIZOYTHASA-N 412.388 6.121 10 40 HKCB CCC1C[C@@H]2CC(OC(=O)c3ccc(NCc4cc(O)ccc4O)cc3)C[C@H](C1)C2 1569981782 KCVWDMCPVJAVGQ-RIQKWWQQSA-N 409.526 5.472 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 981065 INKPDLDYDWBQDB-MQHRVFIMSA-N 405.859 5.133 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 4959414 FVAPGMNLQMHFFK-IQUTYRLHSA-N 401.260 5.192 10 40 HKCB N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 32109445 VABADDBYLINLQW-HGPWHKJCSA-N 422.485 5.285 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC(F)F)C2=O)cc1 98086486 LSJBZEVETYTVHM-WJDWOHSUSA-N 407.463 5.093 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1 222614692 JRLMYGAEZKJJQI-ARBPTSGCSA-N 422.985 5.732 10 40 HKCB CCN(CC)c1cc(N)c(Cc2c(N)cc(N(CC)CC)cc2Cl)c(Cl)c1 1665694 SKWLQLQXKHSCIM-UHFFFAOYSA-N 409.405 5.441 10 40 HKCB COc1ccc(N2[C@@H](c3ccccc3)[C@H](c3ccccc3)O[C@@H]2c2ccccc2)cc1 4661619 SIDWUTWAPFJZCA-HZFUHODCSA-N 407.513 6.713 10 40 HKCB CCCC[C@H](CC)c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 85878639 MHDFLGUJTBHUSM-ZDUSSCGKSA-N 423.513 5.834 10 40 HKCB biogenic CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 112286639 VFGWNMKSJFMDSD-STZFKDTASA-N 413.905 5.246 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(F)cc1 222828902 QVXRUQXODLSRAN-FGZHOGPDSA-N 408.546 5.009 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3cccc(Cl)c3)cc2)C1 260466023 AEDJOXVDGCHVLC-ZWKOTPCHSA-N 417.018 5.687 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccccc3Cl)cc2)C1 260466325 OXYGQDSLDXUAKB-ROUUACIJSA-N 417.018 5.687 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(F)cc2)c1 408752905 DHHSMASVKXOOOC-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O 408902692 PYTBZERHQJRHDL-KGENOOAVSA-N 405.544 6.033 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 409169005 OQCGFTDIWBNWSH-MVERNJQCSA-N 418.005 7.767 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409328416 UVGSKHDCOJRIRV-FHXOWUIVSA-N 414.508 5.178 10 40 HKCB CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(N(C)C)cc1 2223981 OFJLBEIZAZLDCG-AREMUKBSSA-N 410.602 5.718 10 40 HKCB CN(C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 4697730 YAXKNZIYXNMILL-UHFFFAOYSA-N 413.480 6.366 10 40 HKCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)cc1C(F)(F)F 9424433 BMIZOEOJMIEVFZ-AUWJEWJLSA-N 417.836 5.904 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O 13661173 SMUWEUHTBOGSTD-NDENLUEZSA-N 407.516 5.350 10 40 HKCB Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc(C)c1Cl 28287890 FXDZDNOFYADQPL-UHFFFAOYSA-N 423.944 5.030 10 40 HKCB Cc1ccc(-c2nc(-c3cccnc3)ncc2/N=N\c2cc(Cl)cc(Cl)c2)cc1 100135255 DADUKGRPVZDQTG-ZIADKAODSA-N 420.303 7.236 10 40 HKCB CCN1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccc(Cl)cc21 102144761 VPKSUGATCKILJK-ICFOKQHNSA-N 422.959 5.645 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Cl)cc3Cl)cc2)C1 260466138 FLFPIMIKAQFLJH-JKSUJKDBSA-N 421.368 5.486 10 40 HKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408783392 ONMBDVSZCFYPFH-CJLVFECKSA-N 410.473 5.937 10 40 HKCB Cc1cc(C)cc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)S2)c1 5797082 QJWPUJJCFCSLNA-UDWIEESQSA-N 408.910 6.299 10 40 HKCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 8766714 QTWOACZPZSJZJI-UYRXBGFRSA-N 404.397 5.155 10 40 HKCB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1 13096048 DAVWJTUEAHBVDS-UHFFFAOYSA-N 420.267 5.580 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 222873313 RZNYXVNBKXQLRE-YADHBBJMSA-N 408.546 5.011 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2cccc(C)c2)cc1 408761913 IGBIUOSEVOMBRH-NLRVBDNBSA-N 418.496 5.991 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409164113 CNVZCLZYBYIMIE-FMTVUPSXSA-N 408.712 6.260 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 409171229 ZMOZBVJLWCHRFR-GPHJXTMHSA-N 418.673 7.492 10 40 HKCB CC(C)(C)C1(C)OC(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)O1 3772331 JUMUXIIBILAKQH-UHFFFAOYSA-N 421.468 5.074 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 5371913 SDRTUXRHQLYVQN-PXNMLYILSA-N 408.331 5.602 10 40 HKCB Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)c1Cl 14476982 RYFNMXBLKQIFDF-MRAOVIAESA-N 419.566 7.780 10 40 HKCB Cc1nccc(-c2cccc(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)c2)n1 33125809 OFPXAVUWQYXIHE-UHFFFAOYSA-N 400.457 5.251 10 40 HKCB Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 72332663 OYCXZFRTWJVAOT-SIKLNZKXSA-N 411.288 5.941 10 40 HKCB CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 95451557 ROAPKVMCQPAHHN-RBUKOAKNSA-N 409.530 5.272 10 40 HKCB CN1C(=O)/C(=C\c2cc(/N=N/c3ccc(Cl)cc3Cl)ccc2O)SC1=S 408727867 YFMQTDQUERTIMW-FKTJNPQFSA-N 424.334 5.945 10 40 HKCB O=C1OC(c2ccccc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 409053882 RPBSQGMCEYQXQY-HAVVHWLPSA-N 404.465 6.400 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc21 409198771 FGESCQOLYXEJPB-QGOAFFKASA-N 411.332 6.308 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1c1cccc(C)c1 3178634 AWAKWKAWRPXHJX-UHFFFAOYSA-N 409.578 6.899 10 40 HKCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 6869834 XAPTZUUYQAGGIN-STZFKDTASA-N 404.539 5.107 10 40 HKCB CCC1=NN2C(=N)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C(=O)N=C2S1 8492203 KOOJNIQRSIDFKG-XUTOWMMVSA-N 419.293 5.283 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 15010557 HEUPGCKPJWMTAY-UNOMPAQXSA-N 416.930 5.436 10 40 HKCB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218114979 UCKIOUGQXVEUPA-LJQANCHMSA-N 412.599 5.042 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1 224656800 BUVYZHDFVFTAOP-NJDAHSKKSA-N 420.597 5.446 10 40 HKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408754277 GBEXCGAGCIYXQG-QGOAFFKASA-N 409.308 5.345 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216036 IJRHJQJXMMJUEF-VGSWGCGISA-N 410.857 5.280 10 40 HKCB CCCCN(CCO)Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1O 4366367 KWXCOQPYBVERDB-UHFFFAOYSA-N 415.537 5.432 10 40 HKCB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1 20107349 VCKSIVXZDNXHPV-XMMPIXPASA-N 402.538 5.304 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826922 QTOYQOUFXJGPDI-XZOQPEGZSA-N 404.583 5.178 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222917686 WJWOPTCKRPDJOI-RPWUZVMVSA-N 418.610 5.426 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2cccc(Br)c2)c1 408756681 SIDYUWRHAPJPRP-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 409165527 ZCVZWMXVUVFYIZ-RVPKQNPDSA-N 413.117 6.722 10 40 HKCB Cc1cccc(Nc2cc(N3CCCC[C@@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)c1 2333464 OKQIEGLLSFYPCN-KRWDZBQOSA-N 423.516 6.470 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 3196026 HNONPDFBPQOAEX-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB Cc1noc(C)c1COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 3209251 QIKABBHBSFOEOA-UDWIEESQSA-N 422.531 5.276 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 6793394 OPTNTCSAJGTDCB-KGENOOAVSA-N 418.880 5.192 10 40 HKCB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc(O)c(O)c1)c1nc2ccccc2s1 9631489 GURNIKSSHIVZBQ-WJDWOHSUSA-N 422.893 5.540 10 40 HKCB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217990583 FTYVOTKTSXQNNB-KURKYZTESA-N 417.018 5.934 10 40 HKCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222616493 BZQOUIBYJYDSJR-IRBZQWRBSA-N 418.566 5.087 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Cl)cc2)c1 408842877 LNIZKQKOJBXQDS-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O 409334951 YDRLVTJZEICJET-STZFKDTASA-N 421.543 5.653 10 40 HKCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 2187854 LAPASRLKXWNEDM-OAQYLSRUSA-N 422.326 5.286 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 3097232 HUJYBDLEDPBIRX-KSMMKXTCSA-N 421.709 6.080 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1C 9232257 IFOXNHPJHICKDL-HYARGMPZSA-N 418.587 6.117 10 40 HKCB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OC(C)C)c(N)c23)cc1 12250034 PBGLYJFETRRGNJ-UHFFFAOYSA-N 402.519 6.086 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 12885904 JGKCOUAGXWTGKC-RKQNKVCSSA-N 412.518 5.414 10 40 HKCB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2O)cc1 20970139 XEFLDUFFXBOMEB-XMMPIXPASA-N 424.504 5.232 10 40 HKCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)c1 38167034 SLXDNOTYQDXJOY-QNGOZBTKSA-N 421.456 5.650 10 40 HKCB C/C(NCc1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 103920430 GUUXEEOCRRCDCP-XLNRJJMWSA-N 424.529 5.111 10 40 HKCB CCOc1c(/N=N\c2cccc(Cl)c2)c(-c2ccccc2)nn1C(=S)S 104231007 LQZROICRXYVSHK-MRCUWXFGSA-N 402.932 6.080 10 40 HKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 408902169 LGQJFNCPBVBNHE-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB CCc1cccc2c(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)c[nH]c12 409343528 DSIMYGYMLWBQPM-FYJGNVAPSA-N 414.555 6.289 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NCCCCCN3CCCCC3)c2c1 4353145 MRDUIMWRCOBGBZ-UHFFFAOYSA-N 411.977 6.118 10 40 HKCB Cc1c(/N=N/c2ccc(Br)cc2)c(-c2ccccc2)nn1C(=S)S 17129918 DXPAKKRVOCZXIJ-FMQUCBEESA-N 417.357 6.099 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1 112286100 ZDPZVESEGUGGLB-KQWNVCNZSA-N 417.896 6.241 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219611284 FVMDZWAMAHMPDL-JPYJTQIMSA-N 414.977 5.611 10 40 HKCB C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc(N2CCC[C@@H](C)C2)cc1 222677515 JFPYOSGSUKMFJR-RTWAWAEBSA-N 400.566 5.886 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 217836421 ZWVWLNFTUWBCSD-INIZCTEOSA-N 421.368 5.486 10 40 HKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223586365 KOEJRTSIBRUHDV-GFHXCNCHSA-N 417.553 5.200 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260619434 LQYOJZCCCQWQCW-ZYKOEDHHSA-N 408.586 5.575 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Cl)cc2)cc1 408762862 GQKCJEGVDXVDHL-UDWIEESQSA-N 416.864 5.212 10 40 HKCB Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 1312361 VMFOIRPYRKNHDD-QBWRGEQUSA-N 422.575 5.008 10 40 HKCB CCN(CC)/C(=C\c1cccc2c1C(=O)c1ccccc1C2=O)COc1ccccc1 49717464 FSICVFKGBPOUHC-JZJYNLBNSA-N 411.501 5.224 10 40 HKCB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1 102727862 USRWMENNSRWMLN-NYHFZMIOSA-N 418.449 5.011 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3S)C2=O)cc1 408767570 YPEMKDNBYODHAF-JXAWBTAJSA-N 419.933 6.109 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 409040325 YIFYIYDAMXVUOQ-PXNMLYILSA-N 412.363 6.111 10 40 HKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccccc1Cl 2290138 FLYYKVDTBZTYNU-ZROIWOOFSA-N 410.745 5.508 10 40 HKCB Cc1ccc(Nc2cc(N3CCCC[C@@H]3C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2306729 VUEGXMHPKFEYIO-KRWDZBQOSA-N 423.516 6.470 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2cccc(F)c2)sc2c1CCC2 3066001 WMPLLLDCCKVJFV-UHFFFAOYSA-N 410.514 5.639 10 40 HKCB COc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21 13389312 NUAVAFAHUHNVNE-PJIJBLCYSA-N 403.263 5.126 10 40 HKCB CCN1C(=O)/C(=C/c2c3ccccc3c3n(C)c4c(C)cccc4n23)SC1=S 16756653 JUMBFMACVXPSJV-PDGQHHTCSA-N 405.548 5.114 10 40 HKCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 26962666 IRRVPBUNURYWIF-DHDCSXOGSA-N 414.335 5.101 10 40 HKCB CCN(CC)c1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 57209333 XFVOSKATXDUXTO-FDCFBWIESA-N 400.522 5.902 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 260899260 KQVXARYYIURQBQ-DLBZAZTESA-N 419.396 6.040 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1c1ccc(Cl)cc1 409191058 RVBKUFPEVCBXRU-XDHOZWIPSA-N 416.905 5.710 10 40 HKCB CCOc1c(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cccc1OC 409343775 GKIFIHUFDAYJBQ-GZTJUZNOSA-N 417.577 5.222 10 40 HKCB CCCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O 409355622 CTTYYAAJOLADPM-PXLXIMEGSA-N 424.566 5.558 10 40 HKCB CC(C)Oc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1 2450075 MTOKEFKJIBORGF-MHZLTWQESA-N 420.572 5.991 10 40 HKCB CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC(F)F)cc1)C(=O)c1ccccc1-2 36633734 CDNSRTOWILSZGK-UHFFFAOYSA-N 409.388 5.047 10 40 HKCB CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 51330431 HKJGCWZUJLPCAB-YDIMLHFOSA-N 407.561 6.554 10 40 HKCB C/C(Nc1cc(Cl)cc(Cl)c1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103920913 LKXQNULGLHINDV-QNGOZBTKSA-N 422.315 6.130 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916179 AFLVJSJCGOFTTI-ZGVUGNRNSA-N 407.642 6.540 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 225361357 VWRUZQAMJZWYIB-MRXNPFEDSA-N 405.369 5.479 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408799151 YAUWZIWMZSEDFJ-HMAPJEAMSA-N 413.473 5.039 10 40 HKCB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 1198395 GPKVSCVJCCRBTQ-LDADJPATSA-N 413.520 5.179 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S 1209256 ABSHFEOTFIVUPI-BOPFTXTBSA-N 419.955 5.149 10 40 HKCB OC1=N[C@H](c2cc(Br)ccc2O)Nc2scc(-c3ccccc3)c21 4571777 YOMALIALVUXGNV-INIZCTEOSA-N 401.285 5.312 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(F)cc1 222919433 ILDWPUAPHWZGEB-DHIUTWEWSA-N 422.573 5.257 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3cccc4c3CCCC4)cc2)CC1 224109692 LJENCWGTVONQRJ-HXUWFJFHSA-N 406.570 5.058 10 40 HKCB Cc1cccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c1C 408720298 KZBAEXXAGIALRY-UHFFFAOYSA-N 422.366 6.679 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)c1 408765167 WYFZVVGBFHJOJI-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2OC)cc1 408846164 XRFZFTZCAGNZOJ-HAVVHWLPSA-N 412.489 5.237 10 40 HKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1 1307348 PBWBIJJMPBFZJD-HKWRFOASSA-N 424.591 5.178 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 5024948 HMJZOWULXOKDED-YZUZCNPQSA-N 407.941 6.656 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 6963575 LWOWFXJOFQMROI-BXTJHSDWSA-N 415.287 5.501 10 40 HKCB CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 13639451 WZXLIOXLIPNFBD-OPYAIIAOSA-N 411.343 5.415 10 40 HKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)c3ccccc32)cc1 33039523 GLOQRJUPOIVXHG-XQNSMLJCSA-N 407.473 5.065 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(SC)cc1 58884072 HFPZIAYGDICLMZ-STZFKDTASA-N 407.535 5.409 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 144204963 DMPWKTHNCTYXSN-DEDYPNTBSA-N 419.462 5.243 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)cc1 408758389 JLWRIOWMQWUCRP-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Cl)cc3)C2=O)cc1 408841740 KLWPFEVZQNXELX-RCCKNPSSSA-N 418.880 5.192 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 6241628 FGLAMWYJYRUOOO-USZFVNFHSA-N 406.570 5.041 10 40 HKCB biogenic COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)c1OC 8168980 QFPSIJRLMMMUTL-VNBZBWLYSA-N 409.835 6.203 10 40 HKCB COc1ccc(CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 10231663 ADPTWMYNJFNRSE-YBEGLDIGSA-N 409.454 5.115 10 40 HKCB Cc1cc(C(=O)CSc2nnc(C3CC3)[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1 11275428 LVVWSZFSRXHTOT-UHFFFAOYSA-N 420.460 5.083 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 58929076 CDTFPHKUXBFPHE-IGCXYCKISA-N 405.679 5.837 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 102907366 LKGLOWHRKVOXEQ-OXQOHEQNSA-N 401.249 5.534 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222612187 LMPKRBGLNRKLDW-RTFZILSDSA-N 402.567 5.387 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 223146997 BLZRQRVXVDSTCG-QHAWAJNXSA-N 420.597 5.446 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc3ccccc23)c1C 408900981 BCMLBWWERNJCPC-KOEQRZSOSA-N 405.501 6.053 10 40 HKCB CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)CCC(C)(C)O2 1583706 AFXRALVWINXBHQ-UHFFFAOYSA-N 422.477 5.189 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4132060 DDEKIEWNLHPDSL-AIQNWGLSSA-N 412.489 5.692 10 40 HKCB CC(=O)N(C)c1ccc(Nc2c(C)cc(C)cc2C)c2c1C(=O)c1ccccc1C2=O 4321419 PXIUAUBQBDPJKJ-UHFFFAOYSA-N 412.489 5.114 10 40 HKCB Cc1c(O)c(CNCc2c(F)cccc2Cl)cc2c(-c3ccccc3)cc(=O)oc12 9410339 CFRPKRUNCPJCGF-UHFFFAOYSA-N 423.871 5.556 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 208693264 PXCJKRAWJLAHEX-UYRXBGFRSA-N 421.503 5.100 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(C)C)c(Br)c1 408600929 HIDYZWDTNZCDFW-WQRHYEAKSA-N 413.315 5.290 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 409167673 JGTGNIASKOASRP-PSTGCABASA-N 405.133 6.038 10 40 HKCB COc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1Cl 2120835 OWYSJGSYHBRTLD-UHFFFAOYSA-N 407.853 5.273 10 40 HKCB biogenic O=C(CCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1cccs1 8719833 KEPNVNDQCGHWDW-GOSISDBHSA-N 412.580 5.546 10 40 HKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(F)cc2)cc1 17091802 XJURDJSUHKMYPM-JCMHNJIXSA-N 419.431 5.110 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 61997570 FGLAMWYJYRUOOO-GNKBHMEESA-N 406.570 5.041 10 40 HKCB biogenic CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222879452 SOJQTZBVQNDUJW-DNQXCXABSA-N 418.610 5.488 10 40 HKCB COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408865140 BUFDLMVNGTZKCE-TYILLQQXSA-N 404.279 5.432 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1O 408983735 CDTKWFUXJVPKIV-SFQUDFHCSA-N 408.284 6.170 10 40 HKCB Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1 409266870 YTXIEHTYNLQAMY-VHXPQNKSSA-N 400.290 7.391 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N[C@H]1CCCC[C@H]1C 1340126 FRIKYVRWJAWAEI-APWZRJJASA-N 420.022 5.647 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCSc3ccc(Cl)cc3)cc2)C1 218088704 CYMMHEZUKDWKSO-QZTJIDSGSA-N 417.018 5.936 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 224748958 JDGYTIPZRAGZHA-FSSWDIPSSA-N 422.613 5.999 10 40 HKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 409050954 FGPMSHXETJPEMV-XDHOZWIPSA-N 403.821 5.897 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 409247400 HBDSIHCRVXEWAY-OEAKJJBVSA-N 413.521 5.112 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc2ccccc12 409315175 NMOYMMOZPAVGDQ-UNOMPAQXSA-N 421.855 5.510 10 40 HKCB CCCCOc1ccc(N2COc3ccc4c(CCCC)cc(=O)oc4c3C2)cc1 2118967 MDVYDTFDHUPSEY-UHFFFAOYSA-N 407.510 5.671 10 40 HKCB biogenic O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S 6884327 XWIIMWVIIVYVSR-OBGWFSINSA-N 421.584 5.189 10 40 HKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(F)cc1 9188524 MDNSGGYJNJJLOK-STZFKDTASA-N 421.518 5.811 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1Cl 9188637 AFBAIWAGFOAEQN-NVNXTCNLSA-N 424.772 5.817 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 20704020 NAHWCBGHNHDIFX-VFVRVIDISA-N 405.679 5.837 10 40 HKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 33293949 PHUUQWBXVRTFKW-NDENLUEZSA-N 419.458 5.190 10 40 HKCB O=C(Nc1cccc(/N=N\c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 100367898 WZUYESRIGAZGNI-FLWNBWAVSA-N 420.472 6.607 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Cl)c1 222614753 JRLMYGAEZKJJQI-UZQPLGKSSA-N 422.985 5.732 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(F)cc1 408739526 XIKHUBADHHBXBR-NBVRZTHBSA-N 420.281 6.060 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2)cc1 408752233 GYIBAIMCWZSCMA-FYJGNVAPSA-N 423.299 5.837 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c[nH]c12 409338906 QOBGEOJMRLBEEC-UNOMPAQXSA-N 407.564 5.202 10 40 HKCB CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 869287 CSERSHHRAKBIBN-QGZVFWFLSA-N 409.700 5.516 10 40 HKCB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 1462054 LOSNJXYUDYVLQS-MOSHPQCFSA-N 419.575 5.457 10 40 HKCB CN(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 2303880 ZGUNZYZDUIIPHV-UHFFFAOYSA-N 415.540 7.144 10 40 HKCB COc1cccc(CNC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)c1O 6763192 UXRDKNGWWVKILZ-PKXQUSJVSA-N 421.625 6.324 10 40 HKCB CCOC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N 8451083 AEAZSKVTUFAPGL-UHFFFAOYSA-N 424.488 5.542 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 12436668 IXGVBQGFTCJTJG-AUJACXKFSA-N 414.461 5.187 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C1CCCCC1 16450604 OPHUQGMVTYSEOP-PDGQHHTCSA-N 414.508 5.389 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)cc1 208199268 JAWWOOQPDPAFJB-RDPIHGLISA-N 405.567 5.799 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409164079 CEWQOAQJWBYQCX-SEDUGSJDSA-N 408.712 6.260 10 40 HKCB O=C1N(Cc2cccc3ccccc23)c2ccccc2[C@]12NN=C(c1ccccc1)S2 2184999 DZMGJUGSAKLKNB-AREMUKBSSA-N 421.525 5.238 10 40 HKCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2ccccc12 8763449 AXQXOGUORKNQPH-XMHGGMMESA-N 422.531 5.053 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3Cl)cc2)C1 218030281 OXYGQDSLDXUAKB-QZTJIDSGSA-N 417.018 5.687 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222962814 PUYMIALOKNTGQW-DNQXCXABSA-N 418.610 5.570 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C 408902223 MEVLOHGZRSBCEZ-HYARGMPZSA-N 414.465 5.117 10 40 HKCB CCOC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCCC3 2925642 FMALHRVOPTWHFH-UHFFFAOYSA-N 400.931 5.645 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 9296609 LKBATXHISAHLAK-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 13562251 WVZQWGLWOHMWAG-JTDSTZFVSA-N 405.254 5.565 10 40 HKCB COc1cccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c1OC 13689786 DXHAAXPSRYKPLP-UYRXBGFRSA-N 407.516 5.263 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834181 BBXSNYFSEBVAMM-ZEQRLZLVSA-N 418.610 5.487 10 40 HKCB CCN(CCCNC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(C)cc1 225734820 RGDZLHIQSZSMLZ-UHFFFAOYSA-N 411.615 5.519 10 40 HKCB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260742327 VCXFAFBNLCVROO-HNNXBMFYSA-N 403.979 5.072 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(F)c3)C2=O)cc1 408764416 RXWPXUFLZWVDLO-AQTBWJFISA-N 405.856 5.959 10 40 HKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OC 408973565 YXIDQKXGHQDXLD-ZROIWOOFSA-N 424.806 5.096 10 40 HKCB Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O 9058687 FFRNBXBEOXIFKN-YBEGLDIGSA-N 413.355 5.002 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 9161372 OZHRLRNSXVOLJN-MEODXFTNSA-N 417.321 5.178 10 40 HKCB Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccccc1)Cc1ccco1 9908412 ODRGRJSINVCLKO-UHFFFAOYSA-N 417.534 5.001 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2)cc1 17091252 CPHDNLZONMXTCW-JWGURIENSA-N 417.896 5.486 10 40 HKCB CCCCOc1ccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)cc1 408722814 NLJIRYWBXONDKD-HMAPJEAMSA-N 400.474 6.009 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1 408738562 MBSKSGCZEZBZNM-XDJHFCHBSA-N 402.291 5.920 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3)C2=O)cc1 408762670 LSYHGYPDLKKXLE-AQTBWJFISA-N 422.311 6.473 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4975155 VSSFMNHIUGMXMU-NJSLBKSFSA-N 406.309 5.846 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C1=O 409010324 JWFXHVMKMNENOZ-OTGIAGGSSA-N 413.499 5.146 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 6954175 WFJUBQUSIGATNH-ZJNRKIDTSA-N 401.260 5.192 10 40 HKCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 59426633 LRJYKGLBTZQWMJ-IWIPYMOSSA-N 420.468 5.276 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccccn1 409244504 DRJDWYKSYBUJNB-UNOMPAQXSA-N 423.925 5.379 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 409342518 DRGOWOSZMVWQQJ-UNOMPAQXSA-N 411.935 5.908 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC1=S 1000195 DHIXCZXCJNTLHJ-YVLHZVERSA-N 407.919 5.279 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1 39132426 CTOFYEJSXHHBNV-CJLVFECKSA-N 416.452 5.068 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4)c3C)N21 260781647 UHLHHCVTYCLMRD-LEOXJPRUSA-N 402.567 5.469 10 40 HKCB CC(C)c1ccc([C@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 4959830 DCPIBHNVFMFQIT-SANMLTNESA-N 424.544 5.902 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 5372068 SBOIYJUWLKFADZ-ZHZULCJRSA-N 413.564 5.539 10 40 HKCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\CCn2c1nc1ccc(Cl)cc1c2=O 9583533 OCDOWIKVTTXYKK-SDNWHVSQSA-N 423.303 5.142 10 40 HKCB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(Cl)s1 29071915 MQGXJVOBBJFGHH-HNNXBMFYSA-N 418.971 5.419 10 40 HKCB O=C1/C(=C\c2cc(Cc3ccccc3)ccc2O)SC(=S)N1C1CCCCC1 59417909 IAZPCHILLMXJPX-RCCKNPSSSA-N 409.576 5.517 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1Cl 260784239 VKKDAGRGHICLNA-KBJGYGKASA-N 422.985 5.732 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Br)cc2)c1 408756966 YQBCOVGWSFCZDQ-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2)c1 408846012 XDDGREJZQSMOOR-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB COc1ccccc1OCCn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 409204474 GXAAMGNVADNDBG-OQKWZONESA-N 424.500 5.246 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 41083387 PSCLSVBTCQGINB-MPZUNYIRSA-N 419.554 5.130 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222785352 SAQFTYPXYKOGFT-RTWAWAEBSA-N 410.974 5.135 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222879887 QTFROVROSSTUEU-RPWUZVMVSA-N 418.610 5.488 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222962244 RPKWSSOCZAQEAS-DNQXCXABSA-N 418.610 5.570 10 40 HKCB O=C1C(=Cc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408721038 IPVHSWBMXJDYSN-UHFFFAOYSA-N 418.905 5.088 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409036652 LECCXAHNQMHKQR-RUDMXATFSA-N 421.152 5.495 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc(Cl)cc1 2302908 MBLCCNRZQKALMA-NTEUORMPSA-N 410.745 5.508 10 40 HKCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(Cc2ccccc2)CC1 2310015 LNMLLQBWOFUSAL-CYYJNZCTSA-N 408.477 5.437 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 4698947 NRDYEOBJMGFFQC-SEDUGSJDSA-N 407.819 5.972 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)SC1=S 6783655 RTUHEFUWTYFICH-UDWIEESQSA-N 413.564 5.112 10 40 HKCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 7378446 LHOUNAPKOADEQG-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 7781081 CBLRWHFQUBGZQE-VWLOTQADSA-N 418.537 5.383 10 40 HKCB COc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1O)C(C)(C)N2 59501093 HUTMCZOSXSMDQP-UZYVYHOESA-N 404.944 5.737 10 40 HKCB C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 225663549 YTRXBOHGKIMQHE-HNNXBMFYSA-N 407.505 5.743 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1c1ccc(Br)cc1 408754014 CZWAIRQPWMNSCX-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Cl 2160157 SZZSKHNLEMDDLV-UHFFFAOYSA-N 404.293 5.899 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 102989603 GABJEMYOCSTNBS-VAKZPMALSA-N 402.925 5.745 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1 408741206 HMAUHHCQOSQWRR-DEDYPNTBSA-N 402.421 5.395 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 408781979 FAXOGOIHHKZIKU-RWTNITNYSA-N 421.541 5.395 10 40 HKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O)=C\c1ccccc1 1256236 FJVKYPWTOXCWME-UVBZOIGOSA-N 422.575 5.090 10 40 HKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1 5371950 SCFQLKAYUNTLQX-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 8436978 NDNSCLBAKMRQSJ-RVPKQNPDSA-N 418.673 7.492 10 40 HKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Cl)cc1 34703708 QFCAIQAFYRADHO-JYRVWZFOSA-N 400.739 6.053 10 40 HKCB Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 104163460 XAUOKVREUHBSKG-OCEACIFDSA-N 407.405 6.410 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 408902638 PCUHETAUYBKTMC-UDWIEESQSA-N 424.978 6.153 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1 408960964 KJQOXIHHNHUGEN-KGENOOAVSA-N 404.560 5.559 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409052665 HQGRHGVOIINIEN-XLNRJJMWSA-N 407.554 5.547 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O 4679816 ATOONNOTHFIUQN-MFOYZWKCSA-N 405.928 5.159 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3o2)cc1 6630093 SBYILCAZGUUYDM-UHFFFAOYSA-N 415.493 5.602 10 40 HKCB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1 6792331 UJGAPFMEBDEISQ-AWEZNQCLSA-N 410.311 5.680 10 40 HKCB CCCN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S 8860796 BHTWGKFJCMIABY-WOJGMQOQSA-N 421.946 5.669 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 260769149 KGUAIQNZUWTTKD-YSZBQJHXSA-N 417.582 5.172 10 40 HKCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC(C)=O)c1 408744198 XHTUNCCERUDNEO-LDADJPATSA-N 411.885 5.093 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S 409049693 ZPRMEIULVNLRGK-ODLFYWEKSA-N 401.528 5.262 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 33707479 WLFFEOZEOAPTFC-YVLHZVERSA-N 407.919 5.674 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1 103917985 YXOPWTPTUYCTOW-NKFKGCMQSA-N 423.582 5.162 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 218104514 KKQDUOIWLFZQKU-WLVUNBRHSA-N 414.549 5.934 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)CC1 219291992 IOEAXCNNIFMYNO-ROUUACIJSA-N 400.950 5.221 10 40 HKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1ccccc1 223120922 IMGYNFCXENWGAN-ZEQRLZLVSA-N 416.594 5.486 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1 408984491 HRFODLWSOOAPGG-LYBHJNIJSA-N 417.508 6.710 10 40 HKCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1 409041052 IZYJMEPLXUXCMU-NDENLUEZSA-N 413.564 5.131 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 409160981 RWLMXPSEKTWDHD-RLFDGXBXSA-N 418.673 7.492 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409161424 WZTOXFNPYVPJTK-SOZUMNATSA-N 419.264 5.515 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1 2770514 XBGAYQCVTLVFGI-HMMYKYKNSA-N 412.580 5.337 10 40 HKCB CC[C@@H](CO)N1C(C)=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C1C 3175070 PJDVXTSULBUVCT-QHCPKHFHSA-N 417.598 5.515 10 40 HKCB Cc1nc(-c2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c2)cs1 48326188 WXEKZUKZOYSNFX-HXUWFJFHSA-N 423.538 5.037 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)C1 219029806 CYZUHKYEIZNWBE-NJDAHSKKSA-N 416.565 5.721 10 40 HKCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219302431 UZXHMVNMUYJEMR-WTNAPCKOSA-N 408.586 5.493 10 40 HKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c(OC)c1 408758443 KAZOUCJUFRBFGS-HZHRSRAPSA-N 412.489 5.155 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)SC1=S 1019064 RTUHEFUWTYFICH-NDENLUEZSA-N 413.564 5.112 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1C[C@H]1CCCO1 3181712 RWLZHNUNURLBAY-OAQYLSRUSA-N 403.571 5.565 10 40 HKCB COc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21 4959487 NUAVAFAHUHNVNE-CKFHNAJUSA-N 403.263 5.126 10 40 HKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C1CCCCC1 59459822 CAMQXNRJIKBBEO-JCMHNJIXSA-N 403.572 6.527 10 40 HKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2cccc([N+](=O)[O-])c2)c1O 104367057 QSFJILOAMVJLLT-OCEACIFDSA-N 412.405 6.121 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1 144200066 ZKGUZGOHQVJZDL-HMAPJEAMSA-N 402.519 5.952 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408753275 GBANHSICBRHTAG-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB CN(C)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409128479 OZDCFTSRGYUDFQ-GZTJUZNOSA-N 423.376 5.132 10 40 HKCB O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1cccc(Cl)c1 9296440 NTPVTYNAPQPAJG-RIYZIHGNSA-N 410.745 5.508 10 40 HKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 17088927 AKQGNJKPZRIDFD-MOHJPFBDSA-N 411.505 5.395 10 40 HKCB CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 33399169 PRMKFKGGYFKUFH-STZFKDTASA-N 420.534 5.999 10 40 HKCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1ccc(C)c(Cl)c1 101123048 YOKIQETVSDCCNQ-MHWRWJLKSA-N 418.722 5.438 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)cc1 208199312 JAWWOOQPDPAFJB-JHDSZEHQSA-N 405.567 5.799 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1F 222919029 AZVKWNJTFFYCTK-XZOQPEGZSA-N 422.573 5.257 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)C1 260467411 UJBWKWIISDTQDC-NMIUNVJJSA-N 414.549 5.934 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)cc2)cc1 408761542 GOHQCRHNUPROMY-LPYMAVHISA-N 421.327 6.445 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cc([N+](=O)[O-])ccc1O 408987018 UPNFCZYOZQBWAX-SFQUDFHCSA-N 418.836 5.425 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409249159 MSTLRMQFSSDANH-KGENOOAVSA-N 412.555 5.290 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2064094 RDGMYAXPFLGJEI-UHFFFAOYSA-N 406.356 5.109 10 40 HKCB Cc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1 3283456 PPQABJBJNWHBPV-UHFFFAOYSA-N 413.420 5.044 10 40 HKCB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 4551584 QAUMCNATMWCHFE-HXUWFJFHSA-N 411.288 5.691 10 40 HKCB COc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21 4959486 NUAVAFAHUHNVNE-NJSLBKSFSA-N 403.263 5.126 10 40 HKCB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2n1Cc1ccccc1 5589686 FLWUPTHSLKWBJY-UHFFFAOYSA-N 410.399 5.747 10 40 HKCB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7096080 HYLMNKPWEILMND-HWBMXIPRSA-N 414.530 6.714 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1 13496531 PRJNSIPLRBVJID-RNJGGXIZSA-N 424.529 5.398 10 40 HKCB O=C1N=C(O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1ccccc1F 17027234 OQCVRBFBFQSRRI-ZHZULCJRSA-N 410.404 5.639 10 40 HKCB CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 32551089 ZEAOMIQWEMWBIR-UHFFFAOYSA-N 418.338 6.239 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 35043020 IOYQFYLDXMXYJW-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1 2381780 DSZYEXRJLSOYJJ-VKAVYKQESA-N 416.593 5.148 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 5465619 GXBWAHSYFKPOPM-CXUHLZMHSA-N 410.347 5.798 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1Cl 6276537 XVXMSPRQKZDLJI-YBFXNURJSA-N 416.905 5.316 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 8828319 GBNYHPNAVWLDKO-SXGWCWSVSA-N 418.337 5.058 10 40 HKCB C/C(Nc1ccc(Cl)c(F)c1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17093712 SXHGOQBLIGQWRB-STZFKDTASA-N 423.850 5.755 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222872255 SUAXAIZCKVSPDY-PKTZIBPZSA-N 404.583 5.180 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 224087646 KCTNIQAWZWJRBP-FQEVSTJZSA-N 406.570 5.058 10 40 HKCB Cc1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Br 225416521 SPUGPRQARJFQSV-UHFFFAOYSA-N 418.404 5.234 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)C1 225691057 IKYUKEJHEUFVKL-HNNXBMFYSA-N 407.505 5.428 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1Cc1ccccc1 408737981 HDDBZSITLGDUHB-RCCKNPSSSA-N 416.318 5.916 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)c1 408755831 NHYMFVMXNRMJRW-KGENOOAVSA-N 417.852 5.391 10 40 HKCB Cc1csc(-c2cc3ccc(O)c(CN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c3oc2=O)n1 1095647 CXKGWHPDVPYYKH-FYSMJZIKSA-N 424.566 5.331 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 4550693 BSKQUBVHGABUIA-UNOMPAQXSA-N 416.999 5.900 10 40 HKCB Cc1ccc(C(=O)N2N=C(c3ccc4ccccc4c3O)C[C@H]2c2ccccc2)cc1 5218661 LFPAJJGLCHRMII-VWLOTQADSA-N 406.485 5.845 10 40 HKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1 6993358 LATGLVLQMQWZQS-AWEZNQCLSA-N 414.962 5.346 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 13777377 AEPPKFNTBVOYFC-DGWZTRNLSA-N 424.560 5.180 10 40 HKCB COc1ccccc1/N=N/[C@@H]1C(=O)N(c2nc(-c3ccc(C)cc3)cs2)N=C1C 100510958 SOQNTXCFJUAJLL-SMIQVMJNSA-N 405.483 5.002 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C 208322110 WCZNYLNFLINVRB-RDPIHGLISA-N 421.516 5.031 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1 224163328 QIVSRYWLTMLBIZ-RPBOFIJWSA-N 424.573 5.666 10 40 HKCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 225654868 GNRUGZGYBSYRPC-KRWDZBQOSA-N 402.007 5.932 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 409192615 FKVXYYMNNQVONA-CPNJWEJPSA-N 416.905 5.710 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)SC1=S 409198112 XIBOUUBQOBYLAV-FYJGNVAPSA-N 422.575 5.583 10 40 HKCB Oc1c([C@@H](c2ccc(Br)cc2)N2CCCC2)cc(Cl)c2cccnc12 21673446 YALZROWWBROHGY-LJQANCHMSA-N 417.734 5.542 10 40 HKCB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 44085811 SSVPWTROPPUQIE-UHFFFAOYSA-N 405.567 5.196 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(C)cc2)C1=O 408757313 YJRQZCBHWRCQOG-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 408973719 PZZASWMVJCSSFF-HAHDFKILSA-N 416.908 5.721 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)SC2=S)cc1 409341352 ACRRYYOEJLVJKH-MOSHPQCFSA-N 408.548 5.466 10 40 HKCB CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCCCC3 2374738 TXTKJWQZQAWBKF-UHFFFAOYSA-N 400.931 5.645 10 40 HKCB COc1cc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc(OC)c1OC 4975174 PXIYOTCBALVQRI-XEKQOVJPSA-N 406.309 5.846 10 40 HKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 6276603 JTSKVOSKMLKYDU-KEYYUXOJSA-N 404.691 5.627 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 6952838 TXLHJKMDAZCUPT-SUNYJGFJSA-N 401.260 5.192 10 40 HKCB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 218114893 UCKIOUGQXVEUPA-IBGZPJMESA-N 412.599 5.042 10 40 HKCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Sc2ccccc2)nc1 223953350 RPMVSTFEEQVNKO-UHFFFAOYSA-N 420.607 5.320 10 40 HKCB C[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCC2)cc1 225694054 JPQSKMNGUWYABV-AWEZNQCLSA-N 404.377 5.097 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)C1 260453116 DZNBYVSKCQXRNN-VXKWHMMOSA-N 419.613 5.400 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 408757991 FJHOUBRKQQUVTO-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408901814 HITOOMIMJSILGQ-XDHOZWIPSA-N 421.499 5.359 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408985018 KJJXHLNPTHPTNZ-DEDYPNTBSA-N 415.876 5.818 10 40 HKCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408987012 UKHSHBUSJMJEQY-HMMYKYKNSA-N 414.892 5.770 10 40 HKCB CCOP(=O)(OCC)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 2252548 WTGARXGEOODGMF-IBGZPJMESA-N 407.407 5.038 10 40 HKCB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1ccc(OC(F)F)cc1 2645026 VPACDMLQJUYPHE-UHFFFAOYSA-N 403.498 6.174 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3F)cc2)C1 222711302 PIFLKZRQLSUUPT-QZTJIDSGSA-N 400.563 5.173 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 222855297 CSRXDSCKKDAVTL-NZSAHSFTSA-N 414.977 5.529 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(O)cc2)c1 408758046 GBFVEEBRHJWLIM-KOEQRZSOSA-N 404.469 5.688 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2cccc(C)c2)cc1 408765371 LIOANRHNANYEAX-NLRVBDNBSA-N 402.497 6.291 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 409166864 GWTUXWUFKLTHHX-JKDFXYPNSA-N 413.117 6.722 10 40 HKCB COc1ccccc1[C@@]1(CCNCc2ccc(N(C)C)cc2)CCO[C@@H](C(C)C)C1 5370640 PXFJASQJVKMLPY-FTJBHMTQSA-N 410.602 5.014 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3cccnc3)S2)c1 96401756 FRZHRUUSIMWSHO-FYJGNVAPSA-N 401.491 5.051 10 40 HKCB C/C(NCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112290780 LFMPJPAFLNHPSC-JWGURIENSA-N 419.887 5.294 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222785197 HAUDPCLVMRGYEG-NHCUHLMSSA-N 410.974 5.135 10 40 HKCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260756030 CYZDHNOBEKYHNU-ZGNKEGEESA-N 418.566 5.087 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 408762789 GGZCEJMDLMUBGJ-CJLVFECKSA-N 402.881 5.573 10 40 HKCB Fc1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 4664575 VJKHASMPDYRGDV-NVGCLXPQSA-N 412.224 6.434 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 4808329 SGDGWJYKGHLMDK-TWOQFEAHSA-N 413.926 5.359 10 40 HKCB COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]23)cc(Br)c1OC 12418442 FTQLDMVTJMBLFI-SNUQEOBHSA-N 422.269 5.571 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)N=C2S1 13280976 RZSUFLJHBGBBCJ-ANDFITQPSA-N 419.554 5.294 10 40 HKCB CN(C)c1ccc2c(c1)CC/C2=C/c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C 685944543 LNDSRIHJASCZDA-UHFFFAOYSA-N 417.576 6.398 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 12660287 CJDVXNWSHASYPB-CZKWCHMESA-N 403.909 5.933 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222827319 QFSJVAWRHIEHLE-DHIUTWEWSA-N 404.583 5.178 10 40 HKCB O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)C(C(F)(F)F)=NN1c1ccccc1 408963598 HDTNMXDIJYBLIT-GHXNOFRVSA-N 401.171 5.048 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 409157038 OUSGSBONBZSZBZ-CKEIUWERSA-N 423.123 6.177 10 40 HKCB Cc1ccccc1Nc1cc(N2CCCC[C@@H]2C)c2noc3c2c1C(=O)c1ccccc1-3 2251552 WSSSTQYAVXPPGX-KRWDZBQOSA-N 423.516 6.470 10 40 HKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2O)N3)C1 4554553 XMUNLYUKWSIBTM-CWTRNNRKSA-N 400.544 5.432 10 40 HKCB c1ccc(/N=N/N(CN(/N=N/c2ccccc2)c2ccccc2)c2ccccc2)cc1 5600845 BYFZJRCXRILWRR-TUUFZWAFSA-N 406.493 7.355 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)cc1 13779085 DGFBEHNNOLINPG-LGPLSSKUSA-N 410.577 5.540 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccccc1 13940364 WBXUARMDOOMSDY-CLCOLTQESA-N 412.489 5.341 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)c2ccccc21 34890934 AVZKEUPZOPBIQA-ZHZULCJRSA-N 401.466 5.120 10 40 HKCB Cc1cc(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c(C)n1-c1ccccc1 40012207 RFKOWCGFRQZHGW-UHFFFAOYSA-N 414.509 5.195 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCSc1ccc(Cl)cc1 102882040 XTGHAHWUJHCDBC-XMHGGMMESA-N 417.937 5.248 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1C1CCCCC1 408601828 LLWGTZIBPRQQTH-WQRHYEAKSA-N 405.491 5.759 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2c(C)cccc2C)C1=O 4690893 SLMJYJGUTGWTRC-BOPFTXTBSA-N 403.956 5.761 10 40 HKCB CCOc1cc(C)c(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc1C(C)C 6958357 OKJLVDWZLVXFNI-LJQANCHMSA-N 403.569 5.082 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 15218405 HWTRKWRLQBDHNK-TXTKFYIRSA-N 403.884 6.537 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)C(O)=NC(=S)N1c1ccccc1F 59135967 VIGDQTYEBAMVGK-NBVRZTHBSA-N 418.449 5.290 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208221268 RYHLCOVLNPFDSA-RDPIHGLISA-N 406.551 5.645 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)c1 408766588 VTJJXSUYLURKNH-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C 408922862 GYGWLRINOMUWKI-YVLHZVERSA-N 419.955 5.115 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 409172523 JUTZAAZQBCHKAF-BWACUDIHSA-N 423.669 5.976 10 40 HKCB Fc1ccccc1[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 4063811 FIVHFHLIFPNXEH-VJUIFLGMSA-N 422.341 6.483 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 7097241 KLQBNLNRIHAPJP-IMSXRSKXSA-N 402.335 6.943 10 40 HKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 14010073 LYTCSWYRUMXOBD-UCQKPKSFSA-N 420.553 5.121 10 40 HKCB Clc1cccc(Cl)c1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 14546558 SBNYZTMDXKDWIM-NXMSCROESA-N 408.328 7.612 10 40 HKCB CC(C)n1nc(O)c2c(-c3ccc(Cl)cc3)c3oc4c(O)c(O)ccc4c3nc21 95477996 RARMMUSXUNWKCN-UHFFFAOYSA-N 409.829 5.349 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4F)c3C)N21 222696372 WUPQPYKOTKGCSF-MQNAVGNWSA-N 420.557 5.608 10 40 HKCB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222999332 KQUYSTBUHNXSPW-SQJMNOBHSA-N 408.586 5.575 10 40 HKCB Clc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 226680174 DQPOBQGPEVCFJD-VKJFTORMSA-N 407.682 5.771 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccnc3)C2=O)cc1OC 408752804 CKCJPQYAIPQKTC-LDADJPATSA-N 418.880 5.224 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 409169583 QBUFDABLMSWIOI-BWACUDIHSA-N 413.117 6.722 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 5551989 LSTCCPWYXVOPOZ-JWGURIENSA-N 403.572 6.588 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 100148328 OPQVOYAFFSNZDM-HAHDFKILSA-N 409.464 5.635 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1 224163439 QIVSRYWLTMLBIZ-DQEYMECFSA-N 424.573 5.666 10 40 HKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)cc2)n1 225292253 NDAJBDXMVRVJDP-OAQYLSRUSA-N 416.569 5.030 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 409171233 ZMOZBVJLWCHRFR-VHCOLVSPSA-N 418.673 7.492 10 40 HKCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1159442 FIAPHRBPRJMCAC-YBFXNURJSA-N 411.548 5.114 10 40 HKCB C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)coc23)C1 20231473 WFRSFJHNRAQMBY-AWEZNQCLSA-N 406.507 5.007 10 40 HKCB biogenic Cc1cc(C(=O)COc2ccc(Cl)c3c2C(=O)C[C@H]3C)c(C)n1-c1ccccn1 48253073 WIBMUPGLQVKWOR-CYBMUJFWSA-N 408.885 5.094 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222879590 PBQBPOKTXVCCCF-VWNXMTODSA-N 418.610 5.488 10 40 HKCB C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1 408736530 XLOSPAOVRBRTLG-PBWSGDRGSA-N 403.525 7.245 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1C 409328762 AMMMWUPUYWZEQM-SXGWCWSVSA-N 409.454 5.428 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1 409334135 UHOYQOHTEMNKDJ-XNTDXEJSSA-N 410.347 5.798 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 4480526 ZXXZCPJWWOOIKJ-QGOAFFKASA-N 402.837 5.720 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 4959416 FVAPGMNLQMHFFK-CKFHNAJUSA-N 401.260 5.192 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCCOc2ccccc2F)cc1 5656885 UOTQPBWYYWKZCQ-OCEACIFDSA-N 407.445 5.543 10 40 HKCB CCOC(=O)c1cccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)c1 27644769 YYFZAMAFLGVYRR-OAQYLSRUSA-N 404.491 5.380 10 40 HKCB CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@H](c3ccccc3O)C2)cc1Cl 80325337 JGTCXKHOPWHMJT-JWHUVLAVSA-N 414.933 5.270 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 260772527 YYVXBWPFFADGDA-PMACEKPBSA-N 406.570 5.058 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(C)cc2)cc1 408754822 LJPCDDDOPXRQRB-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1C(F)(F)F 409055684 DAHGCGSFUWKCCH-JXAWBTAJSA-N 419.443 5.269 10 40 HKCB CC(C)Oc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1 2450076 MTOKEFKJIBORGF-HHHXNRCGSA-N 420.572 5.991 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 4739273 AOWYHARXDVKCKE-CYVLTUHYSA-N 417.892 5.829 10 40 HKCB CC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1 18206754 MOHHIDUYBMLZAV-NBHCHVEOSA-N 400.442 6.434 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Cl)cc1 408756911 YFFUNDMSGGKVTR-KGENOOAVSA-N 423.299 5.837 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N(C)C)cc3)C2=O)cc1 408985813 NLFOZSSUCTWBPW-RELWKKBWSA-N 410.517 5.623 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 409019230 QCIYYXJNEZTGTF-YBEGLDIGSA-N 402.277 5.179 10 40 HKCB Oc1c(F)cccc1CN1CCCCCOc2ccccc2Oc2ncccc2C1 643561879 DGBRVCLGBNFYRN-UHFFFAOYSA-N 408.473 5.284 10 40 HKCB O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 1782201 CXKYICAHSFCJJW-RUZDIDTESA-N 417.892 5.483 10 40 HKCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(C(F)(F)F)c1 3375314 AIBRUPVSLOMBCK-RIYZIHGNSA-N 416.346 5.807 10 40 HKCB O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)ccc1N1CCCCC1 6548163 GSSOYIDGYDGIDF-VZUCSPMQSA-N 409.486 6.018 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 13777379 AEPPKFNTBVOYFC-RMTZWNOUSA-N 424.560 5.180 10 40 HKCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 225654902 GNRUGZGYBSYRPC-QGZVFWFLSA-N 402.007 5.932 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 7096686 VGZHEOKJWIRQQQ-IMWIBFENSA-N 402.881 6.742 10 40 HKCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)c1 59137667 CLDJWOVMIBIJMZ-XDHOZWIPSA-N 404.397 5.209 10 40 HKCB COc1cc(/N=N\c2ccc(N)nc2N)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1 104229719 IFUWHSTUYLHHCN-YPAXQUSRSA-N 422.405 5.002 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1C 222833712 CXTGZUXRZXSNMG-DNQXCXABSA-N 418.610 5.487 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(OC)c1 409136236 RYRIUPOOSXMSBW-CJLVFECKSA-N 424.566 5.211 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409178856 NSLJTYWCXSXSHG-XACIZNRCSA-N 421.946 6.062 10 40 HKCB CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 4063528 SSPZLDIKHCXSSK-JCMHNJIXSA-N 409.961 6.081 10 40 HKCB COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)ccc1O 7596942 KZWAEKCNRFBIRB-HRAATJIYSA-N 412.898 5.358 10 40 HKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 9190093 PKLDUVNLCLKDAJ-ZSOIEALJSA-N 400.739 6.053 10 40 HKCB CCCC[C@@H](CC)c1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 85878635 MHDFLGUJTBHUSM-CYBMUJFWSA-N 423.513 5.834 10 40 HKCB biogenic O=C(O)CCC/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2s1 96861794 JXNAGQMUTYRMOX-ZPHPHTNESA-N 406.551 6.082 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(F)cc1 222829089 QVXRUQXODLSRAN-VXKWHMMOSA-N 408.546 5.009 10 40 HKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 408736263 OIDULMDXDSMRDJ-LQWHRVPQSA-N 414.368 5.770 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 408758944 VFXQQQXVPPIXNT-NLRVBDNBSA-N 402.497 6.291 10 40 HKCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc(Br)c1 1254565 RCIYRKIGLAIKMP-LZYBPNLTSA-N 415.337 5.336 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)ccc1Cl 7097709 QYQDBLQEXUUZBO-YYDVJCTNSA-N 402.881 6.742 10 40 HKCB COC(=O)c1cc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2sc3ccccc3n12 685944615 XOSPKSMCLQNBDE-UHFFFAOYSA-N 415.538 5.660 10 40 HKCB CCCCC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O1 2366904 PFASGTDMNVUQOD-UHFFFAOYSA-N 409.265 5.643 10 40 HKCB Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N/c1ccc(C(=O)O)cc1 5495768 MZJCVPZJZVHLRV-OCEACIFDSA-N 411.421 5.056 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 10215349 RKFLGADYNUIFSK-YLJYHZDGSA-N 417.317 6.003 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 112287704 QYXPFGAIQZACCF-ZHZULCJRSA-N 408.502 5.002 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)CC1 224542843 KPVUYZAOHUCWTH-LEWJYISDSA-N 420.597 5.446 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSc3ccc(Cl)cc3)cc2)C1 260466165 GOXAHJGUUQGIIR-IRXDYDNUSA-N 402.991 5.546 10 40 HKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC 408758769 QWHPCOPQRODHAE-PXLXIMEGSA-N 412.489 5.155 10 40 HKCB Cc1cc(Br)ccc1-n1c(C)ccc1-c1ccc(Br)cc1 408967199 QMVFTXMSGDULSS-UHFFFAOYSA-N 405.133 6.286 10 40 HKCB O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409332433 RLMDXZFEOAUAQC-RIYZIHGNSA-N 410.398 5.019 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4689208 KEYLFHQXPIDQEN-MPGHIAIKSA-N 402.263 5.201 10 40 HKCB CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 6005050 WBIHCPQEXXGOKO-JSJZUPIVSA-N 412.363 6.253 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 6963487 FUEKARHAJWFDSS-JCYRPKCISA-N 401.550 7.253 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 13777373 AEPPKFNTBVOYFC-BFLUCZKCSA-N 424.560 5.180 10 40 HKCB CC(C)N1CCCc2cc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 22114866 UGYNXIJYLXBRHS-HHHXNRCGSA-N 408.545 6.064 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2Br)o1 33334233 LSMSFMPNVDHIKC-UYRXBGFRSA-N 421.294 5.824 10 40 HKCB Cc1ccccc1-n1c(C)cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 58006283 VRFHVEBLWRWLGB-UHFFFAOYSA-N 406.555 5.181 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3cccc(Cl)c3)c(N)n2n1 1406923 MUOOIBZKGUTJJV-UHFFFAOYSA-N 419.941 5.768 10 40 HKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c2C)cc1 3648613 VRNHVUHQCAWCDY-CIAFOILYSA-N 420.896 5.417 10 40 HKCB CC(=O)Nc1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O 4372997 AKPRDXSOXVNLIG-UHFFFAOYSA-N 413.473 5.510 10 40 HKCB Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2 250638461 BPRZLPAZPVOYLE-DPLHUUCSSA-N 422.355 7.399 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408752182 GETFKSCVHGUSPY-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 408841289 IDPUDDQCTLFTFS-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409342586 BTWPGOZHGNSBIJ-OOWUWCJESA-N 413.564 5.587 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4852972 RAURYULKSQUDIB-MPGHIAIKSA-N 401.260 5.192 10 40 HKCB Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)OCCc1ccccc1 5182621 WOMDXMZKHLEBQN-UHFFFAOYSA-N 407.510 5.078 10 40 HKCB CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 20033506 VHSVKVWHYFBIFJ-QTCYRWPVSA-N 412.283 5.207 10 40 HKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2cccc3ccccc23)c1 58865997 LTVXJLVNYMMASC-UHFFFAOYSA-N 414.457 5.173 10 40 HKCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccc(Cl)s1 96346683 QLVDIYBGZNAKQG-GHRIWEEISA-N 402.972 5.327 10 40 HKCB O=C(O)COc1ccc(/N=N/c2ccc3cc(Br)ccc3c2O)cc1 100800690 QCURKLGNSOCWSK-QZQOTICOSA-N 401.216 5.187 10 40 HKCB CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 226793800 WZXLIOXLIPNFBD-LVCYWYKZSA-N 411.343 5.415 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(Cl)c1 260766328 JRLMYGAEZKJJQI-KBJGYGKASA-N 422.985 5.732 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 408758845 SHPQEBDSLSCAQP-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB Cc1cc2c(n1-c1ccc(C(=O)Nc3ccc(F)cc3F)cc1)CC(C)(C)CC2=O 2562112 BUHLEQTZKGFOKJ-UHFFFAOYSA-N 408.448 5.471 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCCCOc3cccc(C)c3)c2)SC1=S 2852257 OLOLAWHMDHXQMT-HKWRFOASSA-N 413.564 5.064 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1Cl 5125466 DEIJZVWFYRMEHC-HYZSBJHASA-N 400.956 5.475 10 40 HKCB Cc1ccc(C2=C/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)O2)cc1 9262202 QKRXJSWJXAPIRP-HAHDFKILSA-N 405.497 6.288 10 40 HKCB CCCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 12249948 OTMRARKNTXOTKV-UHFFFAOYSA-N 412.898 6.026 10 40 HKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 35624712 RALVMAHGWLWXTJ-WQRHYEAKSA-N 415.301 6.336 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 103918557 RKJZVTZCWRQKJX-HAHDFKILSA-N 422.479 5.055 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222872198 SUAXAIZCKVSPDY-GOTSBHOMSA-N 404.583 5.180 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 225336593 BFSJNVBLKBKUCR-KRWDZBQOSA-N 419.396 6.040 10 40 HKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c2cccnc12 225667043 QUGKKMFTNGQWIL-QGZVFWFLSA-N 420.582 5.281 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc(Br)cc2)OC1=O 408740173 AEVYBUJOYVUCAR-GHRIWEEISA-N 421.290 5.982 10 40 HKCB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 408807272 GTYKOJMBGKTZPU-QMJJWYKPSA-N 420.602 5.807 10 40 HKCB Brc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1 409155465 PYYFMPCABSJYKK-CPUCHLNUSA-N 405.133 6.038 10 40 HKCB CCN(CC)c1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 57396361 AKJYCLYHRZMBBN-XMMPIXPASA-N 412.537 5.692 10 40 HKCB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCCC1 222679660 CLHKZJCRXGRAEF-YFXJRYMSSA-N 422.598 5.060 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1-c1ccccc1 223404696 SFWBVTRTGDANCK-JWQCQUIFSA-N 424.573 5.353 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260766215 JIXYWRKKHIOKAD-MQNAVGNWSA-N 402.567 5.387 10 40 HKCB COC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 408984143 FHPPOXRNNWBESZ-XSFVSMFZSA-N 415.876 5.598 10 40 HKCB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cc(Cl)cc(Cl)c2O)cc1 3666929 PHSPDPNIKCARDW-UHFFFAOYSA-N 413.348 6.341 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4513311 DQXWFOCJQYKYMF-LXGSUHORSA-N 406.957 6.181 10 40 HKCB Cc1cc(C)c2c(c1)N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928556 LZPURHIAVWYMPW-DXBVXKBHSA-N 415.964 7.362 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3O)o2)cc1 59137828 AVBFGPBUKDSFEU-QGOAFFKASA-N 404.447 5.246 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 225360573 BQWPVBYPMSAMOR-KRWDZBQOSA-N 419.396 6.040 10 40 HKCB CC(C)n1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409343134 CPKQOQBINZUNBL-GRSHGNNSSA-N 412.967 6.281 10 40 HKCB Brc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 712745 ZXQVEPXPKIJYQR-HDMKZQKVSA-N 405.133 6.038 10 40 HKCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 1194920 NYZSIEKTBHGRPY-ZSOIEALJSA-N 410.398 5.019 10 40 HKCB CC[C@H](CO)N1C(C)=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C1C 3175072 PJDVXTSULBUVCT-HSZRJFAPSA-N 417.598 5.515 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3Cl)s2)SC(=S)N1c1cccnc1 12757281 FVKGCWMOYXCRDE-YVLHZVERSA-N 414.964 5.869 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 13758484 BCYLGMCDRWDCON-DGWZTRNLSA-N 424.560 5.180 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3C)cc2)SC1=S 33430058 COZKVTFDYBSBKV-HKWRFOASSA-N 413.564 5.064 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(F)c(N4CCCC4)cc3C)N21 222673243 HVYAMXQQNYXXRR-NPFVIJTESA-N 410.562 5.109 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2F)cc1 408758609 NQRCGBYYCOXXCT-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O 409055601 ZWWODELAFMNVKP-YVLHZVERSA-N 419.955 5.154 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1 409070464 XZXKFSVYCPBMJF-WSDLNYQXSA-N 419.912 5.462 10 40 HKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409093186 XYFBYPJKPNQZMT-PGMHBOJBSA-N 416.908 5.963 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409328260 QVEWECCFDOWEMR-PDGQHHTCSA-N 401.578 5.603 10 40 HKCB CC(C)c1ccc([C@@H](NC(=O)CCc2ccccc2)c2c(O)ccc3ccccc23)cc1 4977229 FJWJYLJUSISHOQ-GDLZYMKVSA-N 423.556 6.507 10 40 HKCB CCOc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 100510999 NHHQWOWWTINJGT-VQERKYHCSA-N 419.510 5.392 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 103919040 GCZBKRHPKLWGAB-ZHZULCJRSA-N 424.957 6.147 10 40 HKCB C/C(NCc1ccccc1Cl)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112125195 LSGBQVAPANBXOG-XLNRJJMWSA-N 401.897 5.155 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)c(N4CCCC4)cc3C)N21 260777727 QOEFDZRLXYXSLJ-YSZBQJHXSA-N 406.599 5.278 10 40 HKCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCC(C)C)=N1 408991859 RGTXJISSOHWPKW-JOCHJYFZSA-N 422.598 5.055 10 40 HKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O)=C\c1ccccc1 1313995 MTLCPBWFZQXXBU-VONWDDPXSA-N 422.575 5.090 10 40 HKCB CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S 9310447 URMSJOORYYEYOW-OQLLNIDSSA-N 422.940 5.230 10 40 HKCB CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12 20412346 SXNKKBCJPUVWKT-UHFFFAOYSA-N 405.881 5.451 10 40 HKCB biogenic O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 409155869 DRNJKHXXTYJSSA-PEBVRCNWSA-N 423.669 5.976 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 409158858 LWOWFXJOFQMROI-STXHMFSFSA-N 415.287 5.501 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 409339766 YAIFCMDJMSOSCM-ITRAFESCSA-N 405.585 5.406 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 409344367 JEOZSPJTCAOXPQ-RIYZIHGNSA-N 412.319 5.113 10 40 HKCB CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCC2)cc1 1802390 GTWFTQJSVFKJIT-XMMPIXPASA-N 408.630 6.238 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1 3032442 CPJFRURCYGWNRT-PDGQHHTCSA-N 408.460 5.261 10 40 HKCB Nc1ccc(Oc2cc(Oc3ccc4oc5ccccc5c4c3)cc([N+](=O)[O-])c2)cc1 3660844 OOHIRRABIVQIFW-UHFFFAOYSA-N 412.401 6.661 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 4501761 FVXCXGVZVMTPNH-UHFFFAOYSA-N 407.249 5.397 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c1 15229506 ACOYDVICKLLXEB-MYRCLWJWSA-N 416.352 7.249 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)C1 225668261 FXZKYCKXLHQPQO-HZPDHXFCSA-N 421.532 5.989 10 40 HKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 409016959 UMNXKXLKHODMMC-XKZIYDEJSA-N 420.553 5.040 10 40 HKCB O=[N+]([O-])c1cccc([C@H]2[C@H]3CC=C[C@@H]3c3cc([N+](=O)[O-])cc4c3N2C[C@H]2CC=C[C@H]42)c1 4457761 CSBBIUMQTYQSLT-WPUDHWPRSA-N 415.449 5.397 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4471216 PZNQPRQYSBVAAC-BKUYFWCQSA-N 401.422 5.278 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2cc(C)cc(C)c2)C(=O)N=C1O 32916742 VGKUWGPJFCCCLR-STZFKDTASA-N 414.461 5.362 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100076112 OLYVJCRJTGTXIC-XDHOZWIPSA-N 406.825 5.104 10 40 HKCB CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O 223614155 GSDBNEDTONWACY-DEFALTHMSA-N 400.588 5.942 10 40 HKCB Fc1cc(Br)ccc1NC(=S)NCc1ccc(N2CCCCC2)cc1 225417338 AGCHRDQWAKARAI-UHFFFAOYSA-N 422.367 5.065 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 409166080 CJINKZMNJHBIAR-GUXCAODWSA-N 405.891 7.483 10 40 HKCB CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[n+]3ccccc3n2)cc1 5248099 LNIXHSHMUIWVTM-UHFFFAOYSA-N 421.568 5.293 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1 6630096 KGGWICVSKVXWNY-UHFFFAOYSA-N 403.457 5.732 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 6882648 VXHVDXIECQNSHD-OBGWFSINSA-N 421.584 5.189 10 40 HKCB O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1 8894542 TTYXTXIWLVPUHB-UYRXBGFRSA-N 415.905 5.784 10 40 HKCB COc1ccc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C)cc1OCc1ccccc1 18194718 NXZSMLUGKGQRHF-HAHDFKILSA-N 412.489 5.076 10 40 HKCB CC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)c1 34911169 DROBNEXUPRNPID-AWEZNQCLSA-N 422.322 5.874 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Cl 408768760 KDBVEXFQYGCZRJ-ATVHPVEESA-N 402.277 5.261 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Br)cc2)c1 408841737 KKGPQEYUWBPWGO-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB COc1cc(Br)cc(CNc2cc(Cl)ccc2C(F)(F)F)c1O 2383613 IFNFOUUELVNHFH-UHFFFAOYSA-N 410.617 5.448 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)cc1 8026331 HQIGRKOAOJDHAQ-UHFFFAOYSA-N 406.555 5.181 10 40 HKCB COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(F)F 16740829 XVJTZKBRECHVOR-OOIIIRTPSA-N 421.490 5.259 10 40 HKCB Oc1ccc2ccccc2c1CNc1ncc(Br)cc1Br 18136997 RCIUHRPXTLPEAX-UHFFFAOYSA-N 408.093 5.078 10 40 HKCB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 58845897 MBRAVYVLPHFVCQ-SGIRGMQISA-N 416.546 5.622 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccccc3)=NC1=O)[C@@H](C)CC(C)(C)N2C 208231408 AYMKFDWYKWUKNE-JHDSZEHQSA-N 405.567 5.799 10 40 HKCB O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 3648620 FDQZJHMVJCSMMF-HYARGMPZSA-N 414.892 5.866 10 40 HKCB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1ccccc1 1213534 PSFHZPBXYLEBIS-UNOMPAQXSA-N 411.935 6.001 10 40 HKCB Cc1ccc(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)cc1 4044766 NBAAHHZSJDNWCI-ZQHSETAFSA-N 424.504 6.588 10 40 HKCB O=S(=O)(c1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1)N1CCCCC1 4657158 NVVAFGNJKKQBJK-OCOZRVBESA-N 421.522 5.649 10 40 HKCB CCN1C(=O)/C(=C\C=C2/Sc3sc4ccccc4c3N2CC)SC1=S 4713705 LJZQPAITQHHMFH-ITAGJCAXSA-N 404.607 5.439 10 40 HKCB COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc4ccccc4c3)ccc12 5066000 NIHKINKIAGRPJZ-UHFFFAOYSA-N 410.425 5.370 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 6504306 YAROESHJBVEIGA-HZHRSRAPSA-N 412.489 5.389 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 6952927 TXLHJKMDAZCUPT-PMUMKWKESA-N 401.260 5.192 10 40 HKCB COc1ccccc1-n1c(C)cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)c1C 8160938 YAIPPKYWEZTOSS-HMAPJEAMSA-N 417.534 5.494 10 40 HKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8461591 MZWNWJZHJSCACM-PDGQHHTCSA-N 420.852 5.413 10 40 HKCB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=N)N12 13217597 WJRZRJKHTMZSJR-RLRFCYPDSA-N 412.518 5.414 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 17969355 GABJEMYOCSTNBS-NBJYBMASSA-N 402.925 5.745 10 40 HKCB N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=CN12 20324645 OXJLNFSJIQYGLT-FZVWOUGZSA-N 401.900 5.002 10 40 HKCB O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 33724915 APTHSSTWQJXYEY-PPFNYLEDSA-N 402.884 5.210 10 40 HKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 35043352 LSVSIEZLTACKFE-WOJGMQOQSA-N 405.350 6.418 10 40 HKCB Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc23)C1 72275428 YDMKQJYJOHBBCV-OAHLLOKOSA-N 418.875 5.003 10 40 HKCB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccn3)c2)cc1 225330175 AEIYSYVGDATJID-UHFFFAOYSA-N 403.551 5.097 10 40 HKCB COc1cc(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C 409051859 GZLIJTUWNGOAQU-MTJSOVHGSA-N 411.592 5.837 10 40 HKCB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1312263 YXNCCBARFBXSBO-DXQMBWDBSA-N 422.575 5.171 10 40 HKCB CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 4150663 RPRUOEQNNOUZFB-GRPAYEGISA-N 404.539 5.385 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 6951553 LUAHFXPNLUDLMM-LXIYXOSZSA-N 401.260 5.192 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 96006219 MZPRADALSUCTGP-RKVPGOIHSA-N 401.260 5.192 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)Cc3cccc(Br)c3)cc2)CC1 225621219 APXIOKCDXRYJIA-KRWDZBQOSA-N 415.375 5.105 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 260762864 HTXFWUGBBGBVHO-LEOXJPRUSA-N 420.557 5.608 10 40 HKCB CCc1ccccc1N/C=C1\C(=O)N(c2ccc(Br)c(C)c2C)N=C1C 408537260 ZTMCXDBSFAOJHX-ATVHPVEESA-N 412.331 5.347 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1 409239924 OLVGJWWJXUAUNY-FYJGNVAPSA-N 419.912 5.149 10 40 HKCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 409347465 MIJMXGKKQWNSOO-LICLKQGHSA-N 423.481 5.898 10 40 HKCB CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2)C1=O 409352969 ZTYWMLPBIVMPDX-JWGURIENSA-N 419.571 6.425 10 40 HKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1 17088933 MMUXHCUQOYTMPL-MOHJPFBDSA-N 411.505 5.395 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 58883910 HTTUYPGGJXGIHX-PXNMLYILSA-N 422.695 5.524 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1cccc(Nc2ccccc2)c1 101150099 RWKMIEICIZKCPT-PXLXIMEGSA-N 402.885 5.802 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112291134 KRFREALACXIODZ-MOSHPQCFSA-N 418.324 5.891 10 40 HKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)c(OC)c1 408756552 ZVMODILKLDVIEI-HZHRSRAPSA-N 412.489 5.155 10 40 HKCB CN(CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OCc1ccccc1 408996810 ATAAZBWONOSXNS-OCEACIFDSA-N 402.454 5.309 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409022726 QKNSTPBQCVVRFR-BOPFTXTBSA-N 416.304 5.487 10 40 HKCB Cc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(C)cc4)c2C3=O)cc1 4366766 ZKIVUFFTMWIBCO-UHFFFAOYSA-N 418.496 6.566 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 5164500 AEPPKFNTBVOYFC-USZFVNFHSA-N 424.560 5.180 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1Cl 9188641 RQKZEOWYHFOLLS-WQRHYEAKSA-N 401.984 6.352 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 16779672 CXMMEULBGGCWIM-UHFFFAOYSA-N 406.507 5.062 10 40 HKCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)ccc1O 34139078 CSHGSSRHGXELIU-SFQUDFHCSA-N 417.848 5.215 10 40 HKCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccc(OC)cc4)OC3=O)o2)cc1 83262520 ZUXIUEUISHCZPB-XMHGGMMESA-N 416.429 5.113 10 40 HKCB CC(C)(C)c1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(C(C)(C)C)c1O 90157390 GGNUCXFHIHOSMW-SFQUDFHCSA-N 420.509 5.494 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 217836353 ZWVWLNFTUWBCSD-MRXNPFEDSA-N 421.368 5.486 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3cccc(Cl)c3)cc2)C1 218037182 AEDJOXVDGCHVLC-QZTJIDSGSA-N 417.018 5.687 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222612407 NYUZDYUEHVJEFI-PDIWNELESA-N 402.567 5.387 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1 225813741 ZDPSQRPUCDMOLU-QGZVFWFLSA-N 420.475 5.198 10 40 HKCB COc1cccc(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)c1 729132 QOUPAPDVXMWPSX-UHFFFAOYSA-N 408.523 5.118 10 40 HKCB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 9188537 VVHJEBYQBAHFJB-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 15218408 RHPWFSMGWWBNSF-LSYCYVAJSA-N 411.672 6.087 10 40 HKCB Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 17332250 ZFMVEDMTPKHEJC-CRTZDJKQSA-N 404.691 5.658 10 40 HKCB Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc2c(C(C)C)cccc12 58402189 AKNSSPYNWPYFQH-UHFFFAOYSA-N 407.533 5.379 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222612337 NYUZDYUEHVJEFI-IMRHEYAYSA-N 402.567 5.387 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2Cl)cc1 408757224 WIWIEDHNDQITQW-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCc3ccc(O)c(O)c3)CCC[C@]21C 15225440 MVEQVHMCOXYWCT-ZONZVBGPSA-N 407.598 6.021 10 40 HKCB Cc1cc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1-c1ccccc1 222564361 HUZXWALSKPUYLF-UHFFFAOYSA-N 420.944 5.608 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 222695461 VFFHWMXHQHWWAO-WUMKDDEVSA-N 416.594 5.777 10 40 HKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 225126596 HDMDHZKAAORQCE-FQRUVTKNSA-N 420.597 5.276 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Br)cc2)c1 408843128 QJWLVXYQROMDKK-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB COc1ccc(C(=O)Oc2ccc3nc4ccc5ccccc5c4nc3c2)cc1OC 408974190 DEZXKHRYWMXSFQ-UHFFFAOYSA-N 410.429 5.173 10 40 HKCB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O 409148432 PTBYTKRPWXMQPZ-KQWNVCNZSA-N 422.594 6.588 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@@H]2C=CC[C@@H]21 409158313 SMGIXUZTDDKXHN-LAPQFRIASA-N 414.299 5.291 10 40 HKCB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)OCC 3214488 CZQKSUCMTFPANN-UHFFFAOYSA-N 408.494 5.525 10 40 HKCB CCCCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 4959839 VHEHQRCJBYQVCQ-IBGZPJMESA-N 403.309 5.643 10 40 HKCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9188561 SZCWWAROZPZNGB-YVLHZVERSA-N 422.402 6.697 10 40 HKCB CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4Cl)coc23)CC1 19789600 HTZVRPLGRVZHRA-UHFFFAOYSA-N 418.320 5.704 10 40 HKCB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 222855244 CSRXDSCKKDAVTL-NEWSRXKRSA-N 414.977 5.529 10 40 HKCB FC(F)(F)c1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 409000938 ZBXGHXLUWNLYMP-PEBVRCNWSA-N 418.673 7.492 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 409351594 VAAMNKVOULMUHO-OQLLNIDSSA-N 422.394 5.577 10 40 HKCB CC(C)(C)c1ccc(Sc2cccc3c2C(=O)c2c(Cl)cccc2C3=O)cc1 5438675 UBRVGEUKXQCCIW-UHFFFAOYSA-N 406.934 6.564 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 222696657 FJTCZCSKFBCTJE-YFXJRYMSSA-N 420.557 5.608 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1F 222918908 AZVKWNJTFFYCTK-DHIUTWEWSA-N 422.573 5.257 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260619374 KHIHZTNPVJPQGC-ZYLNGJIFSA-N 408.586 5.520 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 409151567 HEIPQQXXFHDGGO-PEBVRCNWSA-N 405.679 5.837 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(Cl)cc1 409370456 RFDPVLVZIVAQLU-ZHZULCJRSA-N 403.865 5.370 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C 1155415 VLWHDKDOCFPYJN-UDWIEESQSA-N 407.876 5.693 10 40 HKCB Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc(Cl)c2cccnc12 1463079 LCXWGFRYORTCIN-LJQANCHMSA-N 423.727 5.322 10 40 HKCB O=[N+]([O-])c1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1N1CCCC1 6393473 LQDDULLLQXXTNQ-XYOKQWHBSA-N 401.491 6.128 10 40 HKCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9188562 UHIBEQIXPRJIBR-SXGWCWSVSA-N 409.363 5.465 10 40 HKCB CN(CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 33776407 VRAWRGPBYLKWNW-UHFFFAOYSA-N 401.885 5.172 10 40 HKCB Clc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736181 KAFWTYQAPQDOFV-DPLHUUCSSA-N 422.355 7.399 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc2ccccc12 408737507 CEGXGETYFMFPEQ-OQKWZONESA-N 407.900 6.965 10 40 HKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1O[C@@H](C)CC 408904368 IJLQYVNONXKYQC-UZUMKDMXSA-N 412.917 5.722 10 40 HKCB Clc1ccc(-c2csc(Nc3ccccc3)[n+]2Cc2ccco2)c(Cl)c1 1455085 YVNOWAPCUVCGEL-UHFFFAOYSA-O 402.326 6.394 10 40 HKCB CCc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 4106991 WIZNZDCVUOEUKH-PXLXIMEGSA-N 418.587 6.062 10 40 HKCB CN(C)c1ccc(Nc2ccc3ccccc3c2/N=N/c2nc3ccccc3n2C)cc1 4786118 ZVLTXVDZARCTQX-QVIHXGFCSA-N 420.520 6.952 10 40 HKCB Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 4819982 CFOBYBNYQNJSTR-KRWDZBQOSA-N 423.516 6.328 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 6044379 AYZHVKXSMQOWTC-HMAPJEAMSA-N 418.493 5.796 10 40 HKCB COc1ccc2ccc(O)c(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2c1 8232248 DHCDRLTVMYNUQX-QFIPXVFZSA-N 405.494 5.052 10 40 HKCB Cc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 36080653 PDEOXFTXBFQUCI-DXBVXKBHSA-N 415.964 7.362 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Br)c1 408754944 LVSCXMNMFXDTNZ-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 103917962 NMYMQQQGFCBQIJ-PGMHBOJBSA-N 413.974 5.499 10 40 HKCB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 8765764 XWTXWVYVHCSUMN-OCEACIFDSA-N 422.400 5.964 10 40 HKCB CCCCN(C)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 20233266 AGDWQASCZMMXMS-XQNSMLJCSA-N 400.526 5.137 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)c2cccc3ccccc23)c2ccccn2)cc1 28291389 SYRUEBIFYWBZCV-UHFFFAOYSA-N 409.533 5.928 10 40 HKCB CC(=O)N(c1nc(CSc2nccs2)cs1)c1c(C)cc(C)cc1Cl 52913968 GROPYHFTCHNWMR-UHFFFAOYSA-N 409.989 5.847 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222962695 PUYMIALOKNTGQW-RPWUZVMVSA-N 418.610 5.570 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 260778121 RAQSTVRIUQGFTC-YSZBQJHXSA-N 417.582 5.172 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)C 408742182 NPXPPJJAGVQCRT-MHWRWJLKSA-N 415.283 5.226 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 408903198 VNBGNMPSEDNJDU-CPNJWEJPSA-N 424.331 6.207 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409160980 RWLMXPSEKTWDHD-CZIZLABSSA-N 418.673 7.492 10 40 HKCB CC(C)(C)c1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(C(C)(C)C)c1O 13547661 YKSSUSQTCFWAOM-JXAWBTAJSA-N 400.588 5.443 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1 58883586 FTRBEMHFMKJDBF-JWGURIENSA-N 419.521 5.260 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 103918866 DHGNHWTUQQMCNP-UYRXBGFRSA-N 416.294 5.477 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 103919317 TXEPDKYLVADSCG-UYRXBGFRSA-N 421.394 5.613 10 40 HKCB O=C1/C(=C\C=C\c2cccc(Br)c2)SC(=S)N1c1ccccc1 113831231 LPEVYVIMUDPZAK-LLPGWTFISA-N 402.338 5.411 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 225324293 YYVXBWPFFADGDA-WOJBJXKFSA-N 406.570 5.058 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 408755942 PYARUYFLXSQKCJ-XSFVSMFZSA-N 423.299 5.837 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Cl)c1 408763850 KRHOJXQYXOHZOI-KGENOOAVSA-N 407.300 6.136 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1 408893829 NNSLOSDIRPQQTG-PDGQHHTCSA-N 402.277 5.261 10 40 HKCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408902433 NOGRQWRGQYBPFC-OQLLNIDSSA-N 419.706 5.307 10 40 HKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409330210 JTATXWKNEDHPOG-DEDYPNTBSA-N 423.584 5.976 10 40 HKCB Cc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)c1ccccc1C3=O)[C@H](C)C[C@@H]2C 41107691 JTSKATXJHQUZCP-DLBZAZTESA-N 409.485 5.313 10 40 HKCB CC(C)(C)c1cc(CN2CCN(c3ccccc3Cl)CC2)c(O)c(C(C)(C)C)c1 57395033 HMAJXTGBADJPHY-UHFFFAOYSA-N 415.021 5.963 10 40 HKCB Oc1nc(/C(Cl)=C\c2ccc(N3CCCCC3)cc2)nc2sc3c(c12)CCC3 96792412 LCISFPIQOLWQHS-GHRIWEEISA-N 411.958 5.613 10 40 HKCB CCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 408540060 MJPKYCACZXMCSP-XLNRJJMWSA-N 406.526 5.851 10 40 HKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409087511 ZBMADBRETORIKA-HKWRFOASSA-N 402.881 5.573 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 409165524 ZCVZWMXVUVFYIZ-AGKHESDQSA-N 413.117 6.722 10 40 HKCB CCCCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 34839167 DJYSWXGGKMJQTC-DAFNUICNSA-N 424.544 6.480 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(O)cc1 408756119 TXZJZNRJIPYGSS-UDWIEESQSA-N 409.272 5.534 10 40 HKCB O=C(c1ccccc1)c1cc(CN(C2CCCCC2)C2CCCCC2)c(O)cc1O 1701307 NUFTWVIZQJXPHZ-UHFFFAOYSA-N 407.554 5.796 10 40 HKCB C[C@H]1CCCCN1c1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 2365284 XLOCOLHDSOQLRT-INIZCTEOSA-N 409.489 6.162 10 40 HKCB CC(C)(C)C1(C)OC(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)O1 3771152 QZDSYKGGGNNYQF-UHFFFAOYSA-N 414.885 5.165 10 40 HKCB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc(O)c1O 96115072 WFXARUDTFVINPB-UHFFFAOYSA-N 419.437 5.012 10 40 HKCB biogenic Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826812 QTOYQOUFXJGPDI-DHIUTWEWSA-N 404.583 5.178 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 223727226 HATCSJJMRBHPCT-UHFFFAOYSA-N 422.956 5.695 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3cccc4ccccc34)cc2)C1 260455446 RBHZTYWWGOPSJM-PMACEKPBSA-N 402.538 5.332 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260752961 AKWSWGCQEMHNIM-UOKFIYJESA-N 416.594 5.641 10 40 HKCB O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccc(Br)c1 408723223 RJVKGXJUJQGVDX-JYRVWZFOSA-N 406.073 5.193 10 40 HKCB CCc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1 409060283 PELUOYCRYCOCSX-OCKHKDLRSA-N 416.304 5.433 10 40 HKCB CCCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 4959844 XJSFZNOPOYMXLH-JOCHJYFZSA-N 410.945 6.113 10 40 HKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(Nc2cccc(C)c2C)=NC1=O 6814940 WOBNIDXNCOZLQX-BKUYFWCQSA-N 409.530 5.434 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 6952872 RUNARRDHWQJIEK-PZROIBLQSA-N 401.260 5.192 10 40 HKCB Oc1ccc(/N=N\c2ccccc2)c(/N=N\c2cc(O)ccc2/N=N/c2ccccc2)c1 100367793 VASNUSURBQADNP-OUBLILEFSA-N 422.448 8.344 10 40 HKCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219330605 YCORUCXNBJTBSD-IOZGHAEBSA-N 408.586 5.575 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(F)c1 408587700 TVULLBCWMVRNNL-IDUWFGFVSA-N 406.240 5.010 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4c(c3)OCO4)C2=O)cc1 408983283 AJCZBXMLAAFXID-XSFVSMFZSA-N 411.457 5.285 10 40 HKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)CC)C3=O)c2C)cc1 409013426 UYRGGDYHNUGMGD-PZBNQXIHSA-N 410.583 6.272 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1CC1CCCCC1 409142914 LSURAOBIGMQNKK-DEDYPNTBSA-N 402.535 5.433 10 40 HKCB Cc1ccccc1Nc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 2279583 DJQSSJIWDRRJBD-UHFFFAOYSA-N 409.489 6.082 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 8377898 BFERHBIYSDDSTB-VBQJREDUSA-N 404.691 5.627 10 40 HKCB COc1ccc(CCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 8821568 WCMSVWWYTGBMAJ-BOPFTXTBSA-N 424.374 5.446 10 40 HKCB CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)CC1 19791517 MNYIIKDOBWJKNU-UHFFFAOYSA-N 417.427 5.416 10 40 HKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 102828699 GCOWHEDHVMBZDZ-BYYHNAKLSA-N 420.557 5.942 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1F 222613632 KAYMOCMSAMCTPE-RXYZOABWSA-N 406.530 5.218 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)C1 260466041 BMIVKTPKLKEPEV-MVIRQZGPSA-N 417.380 6.120 10 40 HKCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1ccc(OCc2ccccc2)cc1 408722745 MVZIQTGLCSHVIQ-QJOMJCCJSA-N 404.465 6.400 10 40 HKCB Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(Cl)cc1 408735627 VEAYKCMWRMFVIT-UHFFFAOYSA-N 409.942 6.004 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1OC 408766872 TXZCFOIVORNKDK-PXLXIMEGSA-N 412.489 5.155 10 40 HKCB COc1cc(C)c(Oc2cc(OC)cc(C)c2Oc2cc(C)cc(O)c2O)c(O)c1 31166474 CGEQZXRFQKBBQJ-UHFFFAOYSA-N 412.438 5.330 10 40 HKCB biogenic,in-vitro S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(OC2CCCC2)cc1 225418354 JCVATTNYUKFALG-UHFFFAOYSA-N 409.599 5.485 10 40 HKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2 408736026 APFQWMAVENBSQZ-ALTZYDRJSA-N 421.515 7.384 10 40 HKCB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408804608 YVOLZGOOLZPLES-UHFFFAOYSA-N 422.961 5.819 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1 409068209 HTFVKSHYCGBQHT-CIAFOILYSA-N 419.912 5.462 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)nc1 409143359 BTUGQKYTIXXFKI-UDWIEESQSA-N 409.555 5.414 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 58822006 HLQBKMMEKREVLL-HYARGMPZSA-N 420.871 5.864 10 40 HKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c(C)c1 222745453 LTFKCZBUCFYCAL-JTHBVZDNSA-N 404.583 5.017 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222962629 PUYMIALOKNTGQW-ZEQRLZLVSA-N 418.610 5.570 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(Oc2ccccc2)cc1 408949178 QOYZWBRYRKDDBU-UHFFFAOYSA-N 401.437 6.093 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 10215352 LKGLOWHRKVOXEQ-OXJNMPFZSA-N 401.249 5.534 10 40 HKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCOc1ccccc1 13547376 FLKFFYXBGBRIAO-WJDWOHSUSA-N 410.347 5.274 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC3CCCCCC3)C2=O)cc1 17082724 JDLSOAXBSCCJEN-NKFKGCMQSA-N 403.526 5.033 10 40 HKCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219376739 AOUJVRNGHSQFHV-XUZZJYLKSA-N 408.586 5.575 10 40 HKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 225126637 HDMDHZKAAORQCE-IBVKSMDESA-N 420.597 5.276 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)SC1=S 409040256 YBLKPZUZJYNZHQ-ODLFYWEKSA-N 401.528 5.262 10 40 HKCB O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)C(c2ccccc2)=NN1c1ccccc1 409080539 IKXMVCSIDKYMOR-PDGQHHTCSA-N 409.272 5.534 10 40 HKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 15229697 YDOZIUJGKMOZJX-QRVIBDJDSA-N 420.553 5.040 10 40 HKCB Cc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)c1ccccc1C3=O)[C@@H](C)C[C@@H]2C 41107693 JTSKATXJHQUZCP-IRXDYDNUSA-N 409.485 5.313 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21 59267124 RJCUQRQYGBIPBX-VAXXYWNWSA-N 402.335 6.943 10 40 HKCB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1 102727859 USRWMENNSRWMLN-IVZQSRNASA-N 418.449 5.011 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 222703916 RAQSTVRIUQGFTC-SXSPYAJSSA-N 417.582 5.172 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 408846697 YNXDYCOAXYZEJN-DEDYPNTBSA-N 423.299 5.837 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1 6971317 TVJLOTKNPXJXGH-NVGCLXPQSA-N 405.679 5.837 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(C)c(C)c2)cc1 17088920 ZXIHWQLJSFSVEE-CLCOLTQESA-N 411.505 5.449 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Cl)c(Cl)c1 19911114 ARVQMJPZTGVQKA-APSNUPSMSA-N 405.331 5.881 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222784522 RWJJYGROXNNBPH-RTWAWAEBSA-N 410.974 5.135 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccc(Cl)cc3)cc2)C1 260466311 NNZWHVNWSKULSD-ROUUACIJSA-N 417.018 5.687 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 1340118 FRIKYVRWJAWAEI-VQIMIIECSA-N 420.022 5.647 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 4995771 CRIRHAMCJUUUDY-ZHZULCJRSA-N 403.825 5.083 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)cc1 6630106 PYWNCOCTIMWBSX-UHFFFAOYSA-N 424.570 5.200 10 40 HKCB O=C(Nc1ccccc1)c1cc(/N=N/c2ccc(O)c(Cl)c2)c2ccccc2c1O 15945499 HYXGXIGFQXJEGN-CYYJNZCTSA-N 417.852 6.572 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1C 34688967 CZHVRZKCEQHIMJ-HMAPJEAMSA-N 402.519 5.952 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1ccc(Cl)cc1 260772003 MCQILKKTWIFFSG-IPHXSNPTSA-N 408.958 5.423 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O 408600049 SDWXFOGTGBRKML-WQRHYEAKSA-N 419.955 5.543 10 40 HKCB Cc1cc(-c2ccc(/C=C3/SC(Nc4ccccc4)=NC3=O)o2)ccc1[N+](=O)[O-] 15011750 XRQUHTPZLYICHQ-XDHOZWIPSA-N 405.435 5.246 10 40 HKCB CN1/C(=C\C=C2/SC(=S)N(CCc3ccccc3)C2=O)C(C)(C)c2ccccc21 18038482 BMZQFNCMSYZEPQ-NMGXZBPKSA-N 420.603 5.285 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)CC1 44853976 YMXCQIXSBZJUDF-JOCHJYFZSA-N 419.613 5.012 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC)c1C 222783257 MSMIKFOHSPNAQU-XZOQPEGZSA-N 404.583 5.044 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc4ccccc4c3)cc2)CC1 222837189 BFZQEJOUSZNKKW-FQEVSTJZSA-N 402.538 5.332 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3cccc4c3CCCC4)cc2)CC1 224542936 KPVUYZAOHUCWTH-SFTDATJTSA-N 420.597 5.446 10 40 HKCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)C=C1c1ccc(Cl)cc1 408767272 YTBIOWOYWYNNAH-PGMHBOJBSA-N 415.920 6.382 10 40 HKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccccc1 2897079 QCELZIIPNBYDOT-QNGOZBTKSA-N 403.528 5.671 10 40 HKCB Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 6270331 BFPNPUOQODBWAM-SLSDLSHTSA-N 416.546 5.622 10 40 HKCB CC1CCN(C2=NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)CC1 9188878 VFRUELPZDZZNAO-RGEXLXHISA-N 414.615 5.689 10 40 HKCB CCn1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=S)N=C2O)c2ccccc21 59087186 UCIUTZVGEUCKJB-LICLKQGHSA-N 423.925 5.295 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C 222785299 SAQFTYPXYKOGFT-SFTDATJTSA-N 410.974 5.135 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409242778 SZOSDCYRUSTDFJ-DEDYPNTBSA-N 412.555 5.092 10 40 HKCB COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1ccc(O)cc1 4758261 FRASVXZUWANQQU-DQPVQCHKSA-N 412.427 5.478 10 40 HKCB CC(C)(C)c1cc(NS(=O)(=O)c2cccc3cccnc23)cc(C(C)(C)C)c1O 6721266 UUISGIGKHPWDHP-UHFFFAOYSA-N 412.555 5.336 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(C)cc(C)c2)cc1 17088916 BCQHIRTXKBHALN-CLCOLTQESA-N 411.505 5.449 10 40 HKCB CCCCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 96193285 QFQHUDIUPAPQRV-ATVHPVEESA-N 412.873 5.023 10 40 HKCB CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144198851 KISCBLXOBPSNPO-JCMHNJIXSA-N 402.519 5.897 10 40 HKCB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c1 214337212 AGIVXRKCQKDICX-YBFXNURJSA-N 423.421 5.020 10 40 HKCB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 219404125 KWCGUNFXMMHCHU-YADHBBJMSA-N 419.613 5.012 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222611759 JIXYWRKKHIOKAD-IMRHEYAYSA-N 402.567 5.387 10 40 HKCB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(N2CCC[C@@H](C)C2)cc1 222837330 KGVUORDUPXOKMG-UXHICEINSA-N 402.538 5.332 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222873006 UMOWAMYMVNMLNA-ZEQRLZLVSA-N 418.610 5.434 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3cccc(OC(C)C)c3)cc2)CC1 225656706 RBRUGTRIJKQQJH-IBGZPJMESA-N 411.615 5.758 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(C)ccn4)c3C)N21 260769143 KGUAIQNZUWTTKD-LEOXJPRUSA-N 417.582 5.172 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409326668 DCVXZRJIGJAFON-DEDYPNTBSA-N 413.564 5.507 10 40 HKCB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 1274664 LPYDAPIIZYKMAO-QFIPXVFZSA-N 420.896 5.354 10 40 HKCB Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c(O)c2n1 3634558 XFEWMVHDNGEETH-OAQYLSRUSA-N 410.304 6.152 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 4363183 BFERHBIYSDDSTB-KEYYUXOJSA-N 404.691 5.627 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(C)C 408901841 HTRYBZFHMQSDSO-HZHRSRAPSA-N 416.546 6.458 10 40 HKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 1806764 PJLGUKXHIZLHGW-JWGURIENSA-N 418.587 6.092 10 40 HKCB CCc1cccc2c(C(=O)COC(=O)c3ccc(-n4c(C)ccc4C)cc3)c[nH]c12 3337187 AEJSQNSFBHYZOV-UHFFFAOYSA-N 400.478 5.178 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 3671591 SRKNHXLBHAHSOC-VKJFTORMSA-N 410.233 6.174 10 40 HKCB CC(C)Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 4675762 NSQVALTZFCAFGG-HMAPJEAMSA-N 420.603 5.741 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1C 9232266 GQYSBNVMEUFHLK-OVCLIPMQSA-N 410.347 5.722 10 40 HKCB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccc3O)no2)cc1OC 12185651 NRUOHKKVUUNMGI-HXUWFJFHSA-N 408.498 5.182 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)c2ccccc21 33332472 QTDSJRZLQVGDGJ-VBKFSLOCSA-N 407.857 5.211 10 40 HKCB O=C1N(Cc2ccccc2Cl)c2ccccc2C12Nc1cccc3cccc(c13)N2 49947084 CNYFLPRNPJHWKW-UHFFFAOYSA-N 411.892 5.730 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(C)c1 59459829 YIBNAKSHHABBGO-SXGWCWSVSA-N 404.900 5.271 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 3999523 CJDVXNWSHASYPB-UKFDBNNRSA-N 403.909 5.933 10 40 HKCB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] 4663560 OLIADJXJUJAESU-UHFFFAOYSA-N 416.437 5.030 10 40 HKCB CCCN1C(=O)/C(=C\C=C2/Sc3c(ccc4c3CCCC4)N2CC)SC1=S 4859543 PZGHEIYOCYMTCE-HMQSQOOHSA-N 416.637 5.493 10 40 HKCB O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccccc1 5201131 BUXFBFWFVLUPAB-PXLXIMEGSA-N 417.555 5.667 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 6630088 QLWIKNVITALPOB-UHFFFAOYSA-N 413.521 6.210 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)C1 44854984 DZNBYVSKCQXRNN-FGZHOGPDSA-N 419.613 5.400 10 40 HKCB Cc1sc(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 95352928 GEUUOHHYVOELNZ-JOCHJYFZSA-N 418.474 5.343 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 100208166 YXTBHSLWXATREI-KQWNVCNZSA-N 417.549 5.868 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 100317961 GXOVALGEQFHLAS-OQKWZONESA-N 414.480 5.991 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222879727 PBQBPOKTXVCCCF-ISKFKSNPSA-N 418.610 5.488 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 408600446 YPLWKIQNCFQYSS-ZDLGFXPLSA-N 403.956 5.781 10 40 HKCB CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1 408759152 YTWPYFITFOVMJN-PGMHBOJBSA-N 415.920 6.382 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccccc2)c1 408846679 YJJSVPNHJDPVJT-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 9232992 JKVZKCKFCLFCMZ-MHWRWJLKSA-N 420.353 5.254 10 40 HKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 58928754 NUWCVOXAAVBGHF-KEYYUXOJSA-N 404.691 5.627 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222917939 RDWODLQVHXHLJF-RPWUZVMVSA-N 418.610 5.426 10 40 HKCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccccc3)cc2)cc1 408942541 GDYLYRJLGIIKNT-UHFFFAOYSA-N 413.473 5.962 10 40 HKCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc2ccccc12 1268047 AXQXOGUORKNQPH-RGEXLXHISA-N 422.531 5.053 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4502259 PLBLHQIQVLEBNH-IXFSTUDKSA-N 403.884 6.537 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 58883913 PRVRKWYQRZEEGB-NVNXTCNLSA-N 422.695 5.524 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cn1 408986600 RAMKGRIUEZPUCJ-GZTJUZNOSA-N 423.299 5.868 10 40 HKCB CC(C)CN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)c2ccccc21 409110416 VYKKTCLFHXLNLM-MYYYXRDXSA-N 424.519 6.372 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 2402169 BCYLGMCDRWDCON-USZFVNFHSA-N 424.560 5.180 10 40 HKCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccccc1 2627752 GERZNTCFYRTSDH-UHFFFAOYSA-N 416.550 5.017 10 40 HKCB CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 4620901 VQQZHPLJSKGKRU-QHCPKHFHSA-N 403.913 5.398 10 40 HKCB CC1=CN2C(=N)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 20324761 BXBQXPJUUPMWOQ-OKIZQULLSA-N 415.927 5.392 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1Cl 103918748 YORPNXSGSAANFB-UYRXBGFRSA-N 410.930 5.839 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc4c(c3)C(C)=CC(C)(C)N4C)N21 222672783 LQUHWVRNEQFTQW-YFXJRYMSSA-N 418.610 5.693 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1F 222918974 AZVKWNJTFFYCTK-PKTZIBPZSA-N 422.573 5.257 10 40 HKCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 2447481 NWMWDMKULDLWSL-AUWJEWJLSA-N 417.836 5.904 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7096112 PSBDHIZEENHVBL-FBLLAGFSSA-N 403.978 7.459 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 14009206 MDMQCLGREXBZMC-BOPFTXTBSA-N 416.304 5.569 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(Cl)cc(Cl)cc1Cl 101141866 IIHDFUDKIQJYKF-OQLLNIDSSA-N 408.716 5.982 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 222672355 ICFLXWXSPFXQJX-ZPMCFJSWSA-N 422.985 5.814 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4)c3C)N21 222694610 UHLHHCVTYCLMRD-SXSPYAJSSA-N 402.567 5.469 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@H](CC)N21 260753016 ASGQWKFJGUYDQZ-PDIWNELESA-N 422.598 5.060 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409019953 LBJFVOSZSHWSNB-XSFVSMFZSA-N 406.283 5.046 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1 5174113 DXRWZBRPPBKZFZ-RELWKKBWSA-N 409.529 6.464 10 40 HKCB COc1cccc(CNC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)c1O 5242784 UXRDKNGWWVKILZ-RZDMPUFOSA-N 421.625 6.324 10 40 HKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1Cc1ccccc1 6344205 WRHQYJLNFBNZJR-HAHDFKILSA-N 411.551 6.394 10 40 HKCB CCOc1cc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)ccc1O 8254218 FBVASBANZXUSPD-LZYBPNLTSA-N 409.294 5.180 10 40 HKCB C/C(Nc1cccc(Cl)c1C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17082299 USECVMREFCZHPF-XLNRJJMWSA-N 401.897 5.785 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 103919055 GGAFTLDYTKJNRU-ZHZULCJRSA-N 424.957 6.147 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 260774989 OPNDOGRDEHRUJU-UJUVCNOISA-N 422.985 5.732 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(F)cc2)cc1 408756646 RVIMDEYMYLMQTL-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409182613 NEWGWDXHJKFCIN-WQRHYEAKSA-N 421.946 6.064 10 40 HKCB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 7095998 HYLMNKPWEILMND-SLSDLSHTSA-N 414.530 6.714 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 9762303 MOYICVYUXKIOML-AQTBWJFISA-N 419.955 5.019 10 40 HKCB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)no3)ccc2O1 28286989 QJJZZDZNYCBQRR-NWKGHFSSSA-N 424.460 6.333 10 40 HKCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 32189095 VVFYXVULBIVTPW-MTJSOVHGSA-N 422.481 5.136 10 40 HKCB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S 33583130 PAGZAPGKAYPHQY-UNOMPAQXSA-N 417.515 5.117 10 40 HKCB CC(C)n1nc(O)c2c(-c3ccccc3Cl)c3oc4c(O)c(O)ccc4c3nc21 95477739 JLQQDPKPXUHLIM-UHFFFAOYSA-N 409.829 5.349 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)C1 260577758 KWCGUNFXMMHCHU-VXKWHMMOSA-N 419.613 5.012 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408828989 NPQHTVMDIHVFRS-BWACUDIHSA-N 405.237 5.426 10 40 HKCB O=[N+]([O-])c1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1N1CCCCC1 6045857 ODDHYHHTVCVLCO-UKTHLTGXSA-N 415.518 6.518 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13140418 XFGYWZZFLOUEQF-BGWNEDDSSA-N 412.599 5.103 10 40 HKCB CCCOc1c(Cl)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1Cl 35213755 KEJLTUWRKRKGMI-BOPFTXTBSA-N 421.349 6.173 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccccc5)c4C)C(=O)O3)ccc2c1 408757150 UXZXYECKDIWFGS-XYGWBWBKSA-N 405.497 6.537 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S 2831900 UYZOAKNZWGOSOG-YVLHZVERSA-N 424.374 5.794 10 40 HKCB Cc1ccccc1/C=C1\SC(=S)N(CCCCCCCCCCC(=O)O)C1=O 5552993 ITRLFZRCJYCXQC-MNDPQUGUSA-N 419.612 5.792 10 40 HKCB COc1cccc(CNC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]32)c1O 6763186 UXRDKNGWWVKILZ-FPNNDXFKSA-N 421.625 6.324 10 40 HKCB CCCCCCn1c(NCc2cc(Br)ccc2O)nc2ccccc21 13535670 FKAMNBDKFVTICX-UHFFFAOYSA-N 402.336 5.697 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c2ccccc21 103118774 IIALJPGLINSRFE-WQRHYEAKSA-N 407.857 5.211 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)C1 225689697 CJCRMHSOQSMFCV-OAHLLOKOSA-N 418.404 5.172 10 40 HKCB Cc1ccc(C2=C/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)O2)cc1 408741556 JNCJVPDLRGTCNT-KGENOOAVSA-N 409.460 6.118 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCC[C@@H]1C 1340042 GJYPVKVCSARXHE-INIZCTEOSA-N 405.995 5.353 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 1340112 FRIKYVRWJAWAEI-QFBILLFUSA-N 420.022 5.647 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 12628188 LKUMCYYTYFPFIC-CRRKTRLDSA-N 413.315 5.433 10 40 HKCB CC(C)c1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)cc1 13752221 HRUCPOXLJTXBQN-BIWIXZEJSA-N 420.563 5.320 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1 113838554 LEMGRPLOORDAAF-CPNJWEJPSA-N 421.503 5.100 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)CC1 219045058 KUSAZGYUSVDPTL-SFTDATJTSA-N 416.565 5.721 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222873428 RZNYXVNBKXQLRE-FGZHOGPDSA-N 408.546 5.011 10 40 HKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225704248 GLTYJHCLTQXTJH-RXFWQSSRSA-N 420.597 5.591 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(Br)c2)c1 408761861 IARSDAGFHSBDSD-KGENOOAVSA-N 417.306 5.592 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C 409013800 VTAYVHIWEYFYDT-DEDYPNTBSA-N 405.885 5.153 10 40 HKCB CCc1cccc2c(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)c[nH]c12 409347705 NCUOLTISDYXJBB-RQZCQDPDSA-N 409.492 5.044 10 40 HKCB Cc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C 7423473 HCQLQAKPBNVFJH-UHFFFAOYSA-N 406.338 5.433 10 40 HKCB FC(F)(F)c1cccc(/N=N\c2cnc(-c3cccnc3)nc2-c2ccccc2)c1 100407602 PJCNMLUUVRNFNJ-FLWNBWAVSA-N 405.383 6.640 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 222873253 RZNYXVNBKXQLRE-VXKWHMMOSA-N 408.546 5.011 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Cl)cc2)cc1 408757271 XCERUISBJDBQJA-KGENOOAVSA-N 416.864 5.181 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc1 408987783 YCECQDDOHCQQTE-HMMYKYKNSA-N 401.893 6.210 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1 4702362 IWGGCKUVQRAERR-HYARGMPZSA-N 416.452 5.219 10 40 HKCB O=C(O)CC/C(=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 33803817 GMOOWXWPYJPLOX-SSZFMOIBSA-N 423.494 5.210 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1Cc1ccccc1 408986927 SVYMXLJHYHMMNG-DEDYPNTBSA-N 406.312 6.460 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)SC1=S 409331583 OOBIBBQWIDDYMB-UDWIEESQSA-N 408.548 5.637 10 40 HKCB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 33671428 QPQVTTNPGTZMQM-MPZUNYIRSA-N 419.554 5.247 10 40 HKCB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219045401 PXMSYAVAYWGJOW-HKBOAZHASA-N 416.565 5.721 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408754701 LGKNBVCGEQXJKF-KGENOOAVSA-N 416.864 5.181 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 5174089 MQVPOSIDNNVWAQ-KGENOOAVSA-N 410.429 5.269 10 40 HKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1 112286214 YFDTXJKCFGTSPF-KQWNVCNZSA-N 417.509 6.086 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)c(F)c3)N21 222690969 HQNJGFUPJIAMKC-VOQZNFBZSA-N 410.562 5.190 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(O)cc2)c1 408762125 CVSNFCRDIIZOJO-CIAFOILYSA-N 423.299 5.842 10 40 HKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408893159 KWRLGZTVQBKPST-NCUBORBFSA-N 416.304 5.427 10 40 HKCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408901457 FJBTYMOSNCGQEI-XDHOZWIPSA-N 421.499 5.359 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 409345385 LTNOHTNNTGSVSA-HMAPJEAMSA-N 419.571 6.028 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409346819 OCZHGTBVSSXJCX-XSFVSMFZSA-N 413.564 5.588 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 2318082 BSRVTBNXOZZSHE-COOUDCDJSA-N 404.354 5.412 10 40 HKCB COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(C)C 2798520 RBQHFYUTMLDOCD-OOWUWCJESA-N 413.564 5.445 10 40 HKCB O=C1/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C1CCCCC1 8836369 CHFPEXYANAGITR-ZROIWOOFSA-N 420.909 5.805 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1 16779658 VSZOHEWUYFUOCD-UHFFFAOYSA-N 420.534 5.371 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)CC1 219291934 IOEAXCNNIFMYNO-ZWKOTPCHSA-N 400.950 5.221 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)c(F)c3)N21 222691034 HQNJGFUPJIAMKC-BULFRSBZSA-N 410.562 5.190 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(C)cc2)cc1 408754572 RHGZMWBYWWJFAC-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 408807273 GTYKOJMBGKTZPU-XDQGBWCSSA-N 420.602 5.807 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC 409330276 KLBVKMOWMYDZER-HYTQYMIGSA-N 413.564 5.587 10 40 HKCB COc1ccc(-c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2N)cc1 1386208 BPVCBPVQBKSUBT-UHFFFAOYSA-N 415.522 5.123 10 40 HKCB C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc4c(c3)OCO4)c2C1 2512800 QFBCLXDBMLGGSK-CYBMUJFWSA-N 424.294 5.401 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 6211910 JKIBNJANVUIJOM-SLSDLSHTSA-N 401.937 7.054 10 40 HKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)cc1 8843394 VZXCSZDQLYNSQX-UHFFFAOYSA-N 410.970 5.715 10 40 HKCB Fc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 8843407 MAQVSQOLCRLCFQ-UHFFFAOYSA-N 400.906 5.237 10 40 HKCB Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 9357915 CZSSBUYCKMDHGH-DENIHFKCSA-N 421.294 5.397 10 40 HKCB Cc1nc2ccccc2c(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 10961966 HXPAWLFORMWGAD-UHFFFAOYSA-N 401.554 5.043 10 40 HKCB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219321168 SVHRNBHJYBUNMA-GCJKJVERSA-N 414.977 5.611 10 40 HKCB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C 260801645 JODSZKJCMCJLAN-AZUAARDMSA-N 408.586 5.854 10 40 HKCB CCOc1ccc(/C=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1OC 1832000 UYZBRTSDVRBRFU-BOPFTXTBSA-N 422.428 5.195 10 40 HKCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C 2617214 QCQQZIPIGCSIJR-UHFFFAOYSA-N 414.845 5.021 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S 6925107 DAZSZRBFIVCNAX-HZHRSRAPSA-N 411.551 6.707 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096868 WQHYDXHDMTWESQ-LGVFNWMJSA-N 402.335 6.943 10 40 HKCB COc1cc(C)c(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1C(C)C 8333890 OAFQGIBYPZYFAW-NRFANRHFSA-N 413.608 5.141 10 40 HKCB COc1ccc(C(C)=O)cc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11607310 IEKRYWAQFYUZDG-OAQYLSRUSA-N 422.550 5.233 10 40 HKCB CC(C)c1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 28403291 XNVOMDQXGJCRSK-UHFFFAOYSA-N 406.526 5.077 10 40 HKCB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219368055 WMDAPEUCRJBNAH-UTSGNWPNSA-N 408.586 5.575 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Cl)cc1 408754248 FPUQEGUXCXEGDJ-CJLVFECKSA-N 402.881 5.573 10 40 HKCB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Cl)c(C(F)(F)F)c2)cc1 408949057 QHOOHCHBQMTWQZ-UHFFFAOYSA-N 407.819 6.142 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 3769491 HGCWZMJVBZAOTK-NNLQFVHNSA-N 421.946 6.062 10 40 HKCB Nc1ccc(/N=N/c2ccc(-c3ccc(O)cc3)cc2)c2ccc(S(=O)(=O)O)cc12 3954094 TZXHCHLXKLYXEN-OCOZRVBESA-N 419.462 5.457 10 40 HKCB in-vitro Cc1ccc(COc2cccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c2)cc1 9189194 QKZZHUOKRIRKHQ-JCMHNJIXSA-N 423.603 6.108 10 40 HKCB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCc2ccccc21 12569727 BJULPNXBPBCWHX-SAPNQHFASA-N 423.491 5.671 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc1C 59109531 ZIMSCBQQDZGFRM-HYARGMPZSA-N 419.525 5.346 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(O)cc2)cc1 408752119 BURFTFMILWVGBD-CIAFOILYSA-N 423.299 5.842 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408864561 XMVZEDQQUORVLA-WLENULPWSA-N 401.893 6.117 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Cl 409024694 UMDOYRUJPOQEIZ-YBEGLDIGSA-N 421.802 5.236 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409338334 IAAUSVCMQWMWPA-CPOQMQJTSA-N 412.580 5.336 10 40 HKCB Cc1ccc(C(c2ccc(C)cc2)C2(Br)C(=O)c3ccccc3C2=O)cc1 1051445 FRCZTARSYCXWHQ-UHFFFAOYSA-N 419.318 5.648 10 40 HKCB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c(O)c1 4554622 LYBJCJRQHNNRHG-RNODOKPDSA-N 414.571 5.822 10 40 HKCB CC(C)(C)c1cc(Nc2ccccc2C(=O)c2ccccc2)c(O)c(C(C)(C)C)c1 4614847 KAIMBBFFMGWBSD-UHFFFAOYSA-N 401.550 6.962 10 40 HKCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 15008608 HFZHAFQCNXBDHL-MHWRWJLKSA-N 420.353 5.172 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222964018 WLEMCBRRGXANDF-PKTZIBPZSA-N 422.573 5.401 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 408742015 MLHUBWYWUNYVPA-UKTHLTGXSA-N 417.675 6.888 10 40 HKCB CSc1cccc(-n2c(C)cc(C(=O)CSCc3ccc(C(C)C)cc3)c2C)c1 6912196 WIGNMQTULNIWOZ-UHFFFAOYSA-N 423.647 7.056 10 40 HKCB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219262273 PIPJLPMPFMHREN-MSOLQXFVSA-N 400.563 5.173 10 40 HKCB CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC1=S 408726394 LZSBCKUWVCDVPN-RLYGRLLTSA-N 419.531 6.182 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408753741 CCSQRADHDPJULI-JJIBRWJFSA-N 408.888 6.328 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/C=C(c4ccc5cc(C)ccc5c4)OC3=O)c2C)c1 408755300 JIYNELPQOCZADZ-QQXSKIMKSA-N 419.524 6.845 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Cl)cc2)cc1 408764516 UHNXAILDBQCTQN-KGENOOAVSA-N 417.852 5.391 10 40 HKCB O=C(Oc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1 2896991 JCVUJFBHHWUQIY-HMMYKYKNSA-N 417.511 5.312 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 3291624 AEDDOCNLXZUTLB-HZHRSRAPSA-N 400.453 5.197 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 4158711 MJOINTDJELPZRP-PEZBUJJGSA-N 411.614 5.545 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3ccccc3F)cc2)C1 260508020 PIFLKZRQLSUUPT-ROUUACIJSA-N 400.563 5.173 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1F 260766437 KAYMOCMSAMCTPE-KBJGYGKASA-N 406.530 5.218 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3F)C2=O)cc1 408987407 XLNCBOZFXCEVMU-XDJHFCHBSA-N 419.883 6.349 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3O[C@H](C)CC)SC2=S)cc1 409330920 MOWMAGDAZMAQHM-NPQOUYBPSA-N 413.564 5.668 10 40 HKCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccc(-c2ccccc2)cc1 12376972 GYQBIZOMCSMNEC-STZFKDTASA-N 420.534 5.764 10 40 HKCB O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 13895032 PXCROHCONFLISP-HKWRFOASSA-N 417.511 5.312 10 40 HKCB CCCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19792791 VNJMHUOCMTXGMK-UHFFFAOYSA-N 405.416 5.416 10 40 HKCB Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)cc(Cl)c2cccnc12 21486948 KZDXXHCDYIZAMN-LJQANCHMSA-N 406.835 5.798 10 40 HKCB c1ccc(/N=N/[C@]2(c3ccccc3)CCC(c3ccccc3)=NN2c2ccccc2)cc1 104133838 QCBOTJNLDYEQMU-PTBNBFCCSA-N 416.528 7.328 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222999661 WCIYSNIEFKPJSW-QLWBXOBMSA-N 408.586 5.575 10 40 HKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1ccccc1 223120868 IMGYNFCXENWGAN-BJKOFHAPSA-N 416.594 5.486 10 40 HKCB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(O)cc1 408841813 LSTGPULLDARKLU-JJIBRWJFSA-N 420.468 5.389 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409016918 LSVLCNJMLICLAM-HMAPJEAMSA-N 413.473 5.039 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1 409350655 SDVBOLUJBNCDKJ-YBEGLDIGSA-N 420.899 5.053 10 40 HKCB Cc1ccc2ccc([C@H](Nc3ccc(Br)cn3)c3cccnc3)c(O)c2n1 46085520 YXLHYFWDXKKLRS-LJQANCHMSA-N 421.298 5.003 10 40 HKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc21 207986850 JVMXGJWEJYVFKR-HKOYGPOVSA-N 408.501 5.627 10 40 HKCB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219302298 CCKLCVPFFHQWAQ-VXKWHMMOSA-N 408.586 5.493 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408758894 UFKZOFMWZJGHKJ-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409331655 OCUMJOMYERRRSA-LICLKQGHSA-N 423.481 5.898 10 40 HKCB Clc1ccc([C@H]2[C@@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4309491 ZRVUUSYPRMGSDR-IRWGICDTSA-N 409.960 7.388 10 40 HKCB CN(C)c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 51330436 HKJGCWZUJLPCAB-OYHLURKOSA-N 407.561 6.554 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(N2CCC[C@@H](C)C2)cc1 224656846 BUVYZHDFVFTAOP-QHAWAJNXSA-N 420.597 5.446 10 40 HKCB Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1 408531664 PWCWZVRNWHYFRC-NVNXTCNLSA-N 410.347 5.370 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408996801 JZJGAAJMEXAAKK-XNTDXEJSSA-N 406.240 5.010 10 40 HKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc21 409116608 KVWSELUZGZOJRB-UNOMPAQXSA-N 411.332 6.308 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)c1 1799653 ABAGBODHVLPNEE-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCCO3)C1 4158413 LTDXWBNPUOKHCT-HXUWFJFHSA-N 406.869 5.173 10 40 HKCB biogenic O=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 408970467 IOUXYSXPBORBRA-AQTBWJFISA-N 415.802 5.479 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 409206830 LWFAYCJXZMOIGR-KGENOOAVSA-N 420.559 5.221 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409246516 CEODMGMCPMNJEM-FYJGNVAPSA-N 419.912 5.149 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OC(C)C 409347765 QYMFPZQUSJEPMG-UNOMPAQXSA-N 417.527 5.417 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 3165858 GESKKNIUPPEKKL-XQNSMLJCSA-N 400.453 5.197 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 5024949 HMJZOWULXOKDED-AWRGLXIESA-N 407.941 6.656 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408764133 LKRBDTVPLIPANM-DEDYPNTBSA-N 421.815 5.222 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409019548 UBQBBRFJVJDTPZ-JCMHNJIXSA-N 403.522 5.478 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1C 409348212 SAKXDNAQQYRJKA-RQZCQDPDSA-N 405.928 5.071 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 3764459 ZWYCBNKVEHZDHK-WOJGMQOQSA-N 415.898 6.145 10 40 HKCB CCCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc(Cl)c2cccnc2c1O 4959843 XJSFZNOPOYMXLH-QFIPXVFZSA-N 410.945 6.113 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 9434458 UJZDOKLZHIVIGT-COOUDCDJSA-N 404.354 5.412 10 40 HKCB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccccc1Cl 2052010 WOGVLKUQWOTSEH-XSFVSMFZSA-N 423.946 6.538 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCOc3ccccc3C)c2C)cc1C 6866178 ARTPWZSZUWLKMK-UHFFFAOYSA-N 419.521 5.214 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 6952798 SOELNBRTBGOSRU-SUNYJGFJSA-N 401.260 5.192 10 40 HKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1SCc1ccccc1 10113238 RSMDVMBPPLUICS-UHFFFAOYSA-N 416.590 5.899 10 40 HKCB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(N2CCC[C@@H](C)C2)cc1 218914599 RBHZTYWWGOPSJM-UXHICEINSA-N 402.538 5.332 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(F)c(N4CCCC4)cc3C)N21 222673122 HVYAMXQQNYXXRR-URZJWIJPSA-N 410.562 5.109 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222834265 RPZDYEQBRFKUHD-ISKFKSNPSA-N 418.610 5.487 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222917797 WJWOPTCKRPDJOI-ZEQRLZLVSA-N 418.610 5.426 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4F)c3C)N21 260786395 WUPQPYKOTKGCSF-ZQMYSKGWSA-N 420.557 5.608 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Cl)cc2)cc1 408848482 WYRCTWORVHXVRP-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1O 409326433 BSFKSAGZPMVJCG-CXUHLZMHSA-N 405.928 5.077 10 40 HKCB O=C1c2ccccc2-c2onc3c(N4CCCC4)cc(Nc4ccc(Cl)cc4)c1c23 2280201 NHFDSOSIPHPKAX-UHFFFAOYSA-N 415.880 6.036 10 40 HKCB Nc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1/N=N/c1ccc(F)cc1 3849195 XYQDJNUEGVBZLE-OCOZRVBESA-N 406.368 5.613 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1 9188760 XZCOSZPGYNZLEC-YBEGLDIGSA-N 409.363 5.465 10 40 HKCB Cc1cccc(NCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c1C 14922135 FNPGPHQDPJGWKN-RQZCQDPDSA-N 423.390 5.881 10 40 HKCB CSc1cccc(-n2c(C)cc(C(=O)CSc3ccc(Cl)nn3)c2C)c1 89579967 PHMGWEXHYDIPNS-UHFFFAOYSA-N 403.960 5.234 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 100325170 BLKDOXOURHNXEJ-PXLXIMEGSA-N 404.922 6.297 10 40 HKCB O=C1NC(=S)S/C1=C\c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O 408724612 GCXWODKFVCPPFE-QSTNYVNOSA-N 409.414 5.315 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21 408736108 FOGCBOFGUSHRCE-IEGUWTFLSA-N 406.323 6.437 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)c1 408782010 GFRRTORMIUFRAF-VBQJREDUSA-N 418.234 5.026 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc2ccccc2c1 408987427 XPNFDHIDPGOFQA-XQNSMLJCSA-N 407.900 6.965 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC 409001149 UTZHVIIZMMDASD-PXLXIMEGSA-N 412.489 5.155 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl 14413816 ZQRRASZEUBAYKB-LCYFTJDESA-N 424.230 5.149 10 40 HKCB CC(C)N1CCCc2cc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 22114863 UGYNXIJYLXBRHS-MHZLTWQESA-N 408.545 6.064 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)CC1 218666768 WTZJHEOCUZQOFB-RTWAWAEBSA-N 422.613 5.865 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1 260570034 TYCGSDQNOVQSMK-QLTNSANVSA-N 417.553 5.118 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(F)cc1 260756053 DBJXPRWGCJHYNF-KBJGYGKASA-N 406.530 5.218 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260777662 QHGRVZVSWPJEFD-DQMJNTIXSA-N 416.594 5.695 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 408744690 ZIXMIGSUHANEJU-DEDYPNTBSA-N 418.876 5.909 10 40 HKCB Cc1cc(C(=O)O)ccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408983825 DCTRITMAAVWOAT-XSFVSMFZSA-N 415.876 5.818 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S 2878549 SPWQBTSIGJIXLM-AQTBWJFISA-N 419.955 5.019 10 40 HKCB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218736957 XEZOBACVUZBZNC-MOPGFXCFSA-N 414.977 5.613 10 40 HKCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219324359 NROMPWHSEKXIBT-PMAPCBKXSA-N 414.977 5.611 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 222698856 AONUXKQNOCGGRN-MQNAVGNWSA-N 418.566 5.174 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409345639 INCDHGVAEBNFKX-CJLVFECKSA-N 419.571 6.425 10 40 HKCB Cc1cccc(C(=O)Nc2nc(-c3cc(C)n(-c4ccccc4)c3C)cs2)c1C 3423481 QHJQPAZZIGXVNA-UHFFFAOYSA-N 401.535 6.087 10 40 HKCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 9188560 OQRXYGQAIYRNPO-MFOYZWKCSA-N 408.375 6.523 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S[C@H]2c2ccccc2)cc1 32594774 YUIIIMDNCKMUOD-PBMMVTTKSA-N 400.547 5.881 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)SC1=S 34703292 VAWFDIUQQHUOCO-YBEGLDIGSA-N 424.374 5.794 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 96505040 MRACKSYNTQBOBV-PXLXIMEGSA-N 417.555 5.980 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619433 LQYOJZCCCQWQCW-PTLVVNQVSA-N 408.586 5.575 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O 409326648 CYXQYTMJDJVICX-KGENOOAVSA-N 423.534 6.174 10 40 HKCB O=C(c1ccccc1)c1ccc(O)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1O 4854753 JKYBXTTWNPIXTM-HSZRJFAPSA-N 421.924 5.558 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 13758486 BCYLGMCDRWDCON-RMTZWNOUSA-N 424.560 5.180 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 19831020 RHPWFSMGWWBNSF-PUTJDCORSA-N 411.672 6.087 10 40 HKCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 100976677 HCYIVZMKLCIMFT-UMTXDNHDSA-N 406.485 7.036 10 40 HKCB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219367866 LKLXGADAFIMQOJ-ZJSXRUAMSA-N 408.586 5.575 10 40 HKCB CN(CCNC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 225570932 GZHMJSIZRNJKQI-UHFFFAOYSA-N 407.608 5.402 10 40 HKCB CCCCOc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 409050859 BJIQKXROKVYVJZ-RELWKKBWSA-N 412.485 6.639 10 40 HKCB CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 409182237 JUPVQTTWIUAJBD-NVMNQCDNSA-N 421.946 5.920 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 4959457 DHDYXANJRQUVLF-JTAQYXEDSA-N 407.535 5.184 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 4994156 UIJQJDMRFBVJKX-JXAWBTAJSA-N 413.502 5.654 10 40 HKCB CN(C)c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 4995814 YJXSVVJXMDQNKF-ZOYLIWTNSA-N 410.565 5.839 10 40 HKCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188808 SBJNJLWASIZHJU-JWGURIENSA-N 417.555 6.447 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c2ccccc12 408742766 PTSKYGFRDLRWOS-GHRIWEEISA-N 421.290 5.982 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 408902245 MKZGMKIZPODVDL-DEDYPNTBSA-N 424.978 6.153 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c2ccccc21 409195532 QNUACFSAZZDAAZ-XDHOZWIPSA-N 420.896 5.353 10 40 HKCB O=C1NC(=S)S/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409208991 BKDSQHPUIDRMBM-CIAFOILYSA-N 400.528 5.332 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(C)C 409327346 JEMJUOOELZOVFH-UYRXBGFRSA-N 405.585 5.406 10 40 HKCB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC 670521 GPAUANCOFKYOBM-CXUHLZMHSA-N 405.281 5.207 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 6841220 ZWGLKHVKWZYTMK-QWQBBLJPSA-N 406.551 5.276 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 7781080 CBLRWHFQUBGZQE-RUZDIDTESA-N 418.537 5.383 10 40 HKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1 8820419 ZOVZPRJPSNXYBW-CRVGVPJFSA-N 422.575 5.090 10 40 HKCB Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1Cl 8843406 ZDJYIALFVGTHSU-UHFFFAOYSA-N 414.933 5.545 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 33362716 SXOQUQXQPMBLJN-HKWRFOASSA-N 411.596 5.005 10 40 HKCB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222616560 BZQOUIBYJYDSJR-GMWOSMDTSA-N 418.566 5.087 10 40 HKCB CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O 260565067 GSDBNEDTONWACY-SDLDRHLBSA-N 400.588 5.942 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Cl)cc1 408763000 QSIVYHJEJDPTNH-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc(C)c1Br 409205283 GXTPIZQWDSOZIW-UDWIEESQSA-N 421.338 5.966 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c1 409329181 DOLDQGCOIGIKFA-NVNXTCNLSA-N 422.940 5.376 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409329920 HZYLQGUKWVBDME-LDADJPATSA-N 418.971 5.211 10 40 HKCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Cl)cc1 409335355 ZETPSBRQKBISPK-RIYZIHGNSA-N 411.291 5.307 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1O 409344139 FPZWUKXBWSAXCY-NVNXTCNLSA-N 423.968 5.182 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 13547374 UJZDOKLZHIVIGT-IEMQHYRPSA-N 404.354 5.412 10 40 HKCB O=[N+]([O-])c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=S)c2ccccc23)cc1 100416268 QYSPMKGKUFZYSW-QFIPXVFZSA-N 402.500 5.997 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1F 222828505 BBIKGZBNAKTMMG-FCHUYYIVSA-N 408.546 5.009 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 408760079 RETQJZHFQGUWRX-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB CC[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CC(C)C 1340131 QRVULCMRKWTQSC-IBGZPJMESA-N 420.022 5.743 10 40 HKCB O=C1N=C(O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1C1CCCCC1 2387088 IQCRJAJFXZWWRY-HMMYKYKNSA-N 413.477 5.470 10 40 HKCB Oc1ccc2ccccc2c1CNc1nc(-c2ccccc2)c(-c2ccccc2)s1 4546906 GTLDQYZLIMWSDB-UHFFFAOYSA-N 408.526 6.948 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccccc4)=NC3=O)cc2)cc1 8411639 IABPJUBGSSDZKK-PXLXIMEGSA-N 400.503 5.656 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1C 222833888 CXTGZUXRZXSNMG-ZEQRLZLVSA-N 418.610 5.487 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)c1 409328884 BURVRYFCWIOFGD-ODLFYWEKSA-N 415.605 5.849 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)SC2=S)c(C)c1 409351137 ZRDHIFQUBOAHTG-MTJSOVHGSA-N 406.576 6.245 10 40 HKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1 983910 FHWDXDSIZBPBGY-PCLIKHOPSA-N 421.500 5.340 10 40 HKCB COc1ccc(N/C=C/C=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2520683 FCTVOIDLRCJQFI-HWXUXPMTSA-N 422.575 5.164 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4132055 DDEKIEWNLHPDSL-BVMUCEKZSA-N 412.489 5.692 10 40 HKCB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 4405468 AECOOYRQLMRJIX-JYMOCPPFSA-N 406.283 6.516 10 40 HKCB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c(O)c1 4554620 LYBJCJRQHNNRHG-RBZFPXEDSA-N 414.571 5.822 10 40 HKCB Clc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 7096149 OLJYNICISKGTFQ-WZOHSFFVSA-N 403.978 7.459 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 102709990 HMJZOWULXOKDED-ZFGGDYGUSA-N 407.941 6.656 10 40 HKCB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219298886 NUWVMOBFSRQYOR-NJDAHSKKSA-N 408.586 5.691 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219611132 FVMDZWAMAHMPDL-MBSDFSHPSA-N 414.977 5.611 10 40 HKCB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCCC1 260755962 CLHKZJCRXGRAEF-OFAXGOBFSA-N 422.598 5.060 10 40 HKCB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC1=S 409350426 YHIWWSAODAXWTN-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB O=C(Nc1cccc(/N=N/c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 13403719 WZUYESRIGAZGNI-QVIHXGFCSA-N 420.472 6.607 10 40 HKCB CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 15010950 MBZVNMNIDNNQEC-JWGURIENSA-N 424.566 5.211 10 40 HKCB COc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)ccc1N1CCCC1 19240223 BOYKEAGFVCLLEO-IBGZPJMESA-N 413.612 5.195 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2C)C1=O 33362713 CUUTUILDMVKXKJ-JCMHNJIXSA-N 419.571 6.343 10 40 HKCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219377063 VYPHDNNYUSYLNM-NHCICSSKSA-N 408.586 5.575 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 409162034 CDTFPHKUXBFPHE-PBFPGSCMSA-N 405.679 5.837 10 40 HKCB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 2848039 KLRAZRDEHNHIQG-YVLHZVERSA-N 424.374 5.794 10 40 HKCB CC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4786035 FLVINGVDMBUNPL-RSXGOPAZSA-N 422.613 5.480 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112126436 IDBGKZUIHFIVRQ-UNOMPAQXSA-N 406.288 6.021 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408762508 BUOAKEXFTBKDPQ-XDJHFCHBSA-N 414.917 6.389 10 40 HKCB O=C1C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 1036929 PTCLKZQRTWGAHI-UHFFFAOYSA-N 418.905 5.088 10 40 HKCB COc1cc([C@H]2Nc3c(C)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 4757572 XBJNOLZWBKIZPE-PTSWNOGYSA-N 400.316 5.601 10 40 HKCB O=C(/C=C/c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1 5180333 GXQVKTRLDIKLCQ-BUVIUBTMSA-N 418.496 5.937 10 40 HKCB CC(C)Oc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)C2CCCCC2)cc1 6804507 GHXNICVVGOOXJD-HHHXNRCGSA-N 408.630 6.384 10 40 HKCB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S 8425129 JRHOTRFDENIQLM-RQZCQDPDSA-N 424.374 5.794 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 9188634 JRQIOAPNXXNQKU-MFOYZWKCSA-N 405.928 5.071 10 40 HKCB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 33788085 BYIUBEXYSDVBCE-MLPAPPSSSA-N 416.738 5.758 10 40 HKCB COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 89473571 DEQRKANJJXXFEK-OBTVHEKISA-N 423.512 5.563 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 100147766 XCLMRPWCWJRINN-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218104792 UJBWKWIISDTQDC-ZCCXOTIASA-N 414.549 5.934 10 40 HKCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219330566 YCORUCXNBJTBSD-DHTSOJEISA-N 408.586 5.575 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(Cl)c1 409022851 UYHJUKDDJIUCSM-YVLHZVERSA-N 421.802 5.236 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O 1136143 KQEDQWQDXJWYNX-GZTJUZNOSA-N 405.928 5.153 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 4107252 YSPKQKWJPKHKKR-RKQLKTQESA-N 418.996 5.673 10 40 HKCB COc1ccc(N2[C@H](c3ccccc3)O[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 17194242 SIDWUTWAPFJZCA-KCHLEUMXSA-N 407.513 6.713 10 40 HKCB COc1ccc(/N=N\c2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 104115304 FFNFNYLTWGACFJ-QPLCGJKRSA-N 413.506 5.733 10 40 HKCB CCN(CCc1cc[n+](C)cc1)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2Cl)cc1 104206994 SRYQUKDZKJGQGZ-IZHYLOQSSA-N 424.912 5.557 10 40 HKCB COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 108422694 JXEFLKZBZVZTPM-SFQUDFHCSA-N 420.852 5.006 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)C1 225692037 CZNBVPMOWIJFGY-LJQANCHMSA-N 423.626 5.731 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Cl)cc2)cc1 408759385 DEHGBPPUORDDGX-KGENOOAVSA-N 406.844 5.322 10 40 HKCB COC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408983805 CSIGISIRSPJGPK-HMMYKYKNSA-N 415.876 5.598 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc2ccccc12 409058199 JBFTWZSUXXDLTQ-QJOMJCCJSA-N 401.506 5.403 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O 409328668 ZRBGSKZMEJPCTF-RIYZIHGNSA-N 412.319 5.113 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 9188797 ZZWCATBBGYGUOO-JWGURIENSA-N 401.556 6.322 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 103918707 DNDYVMOJJNSDAI-PGMHBOJBSA-N 404.539 5.802 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccc(F)cc3)=NC1=O)[C@H](C)CC(C)(C)N2C 208235752 AASUBWHMAYDWCB-OFNOZLENSA-N 423.557 5.939 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222879321 SOJQTZBVQNDUJW-RPWUZVMVSA-N 418.610 5.488 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 408986250 PCPXOUWKADLCCH-OQKWZONESA-N 424.500 5.515 10 40 HKCB CCOc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 1021552 VLMJJPHKBUTUFJ-UHFFFAOYSA-N 409.555 5.144 10 40 HKCB COc1cc(Cl)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O 4785257 WICNLJAPEFWECX-YPMLDQLKSA-N 420.962 5.696 10 40 HKCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC(C)CC4)c23)c(C)c1 5182616 YPVVAIMOKAZNKM-UHFFFAOYSA-N 406.526 5.548 10 40 HKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 5371935 MQAVKRSEVXBOIA-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)sc2c1 101114292 UWPHIJFIACSBQM-LFIBNONCSA-N 412.902 5.067 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 225655406 GBVYCBBHNDYSKE-HNNXBMFYSA-N 405.970 5.763 10 40 HKCB O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408529500 IHSDYBCFCVLJFS-ODLFYWEKSA-N 411.935 5.561 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 408769655 YNTSWQQZRUYNMT-GJFKPFFXSA-N 417.578 5.565 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1 4738997 NNAYVBXBGASGLF-QGOAFFKASA-N 402.837 5.720 10 40 HKCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 16733487 KIFVNBFHUALSJZ-LPXFMOJISA-N 413.951 5.449 10 40 HKCB O=[N+]([O-])c1ccc([C@H](O)C[n+]2c(-c3ccccc3)csc2Nc2ccccc2)cc1 26570087 LIEFKALAPHUTRD-JOCHJYFZSA-O 418.498 5.088 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219302465 UZXHMVNMUYJEMR-VOQZNFBZSA-N 408.586 5.493 10 40 HKCB COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409207893 CDVSYBHWORTFJG-YBFXNURJSA-N 414.914 5.190 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 4599323 CWFRPHGNWQRVJA-FBQNGNFFSA-N 418.884 5.747 10 40 HKCB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(N(C)C)cc2)[nH]c1-c1ccccc1 4954582 ARBAMTYDGDKGNI-UHFFFAOYSA-N 414.465 5.394 10 40 HKCB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10215964 XRMHDDXDIBTZBZ-JPYJTQIMSA-N 406.507 5.403 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 59959231 JVLVPZQMLWAIIJ-HAHDFKILSA-N 403.522 5.811 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccccc1 409218511 JGRRQTINXORFSI-HYARGMPZSA-N 416.502 5.013 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(CCC3=CCCCC3)C(=S)N=C2O)c2ccccc21 2385389 SXXIOXGIOMXHHD-HMMYKYKNSA-N 421.566 5.409 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc([N+](=O)[O-])cc4c3N2C[C@H]2CC=C[C@H]42)c1 4457760 CSBBIUMQTYQSLT-DJIOSBNXSA-N 415.449 5.397 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 35039174 QVTZIEURXMPWOE-FYJGNVAPSA-N 421.543 5.568 10 40 HKCB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217990663 FTYVOTKTSXQNNB-SQNIBIBYSA-N 417.018 5.934 10 40 HKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1-c1ccccc1 223404755 SFWBVTRTGDANCK-RPBOFIJWSA-N 424.573 5.353 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(F)cc2)cc1 408757851 DHKQPHMCEJBHLL-KGENOOAVSA-N 406.844 5.322 10 40 HKCB COc1ccc(OC)c(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 409051353 CMWYKBPFKJAKJD-XMHGGMMESA-N 400.430 5.477 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C)c2)C1=O 409330728 LZJOYINPTLHHCX-PXLXIMEGSA-N 419.571 6.343 10 40 HKCB Cn1cc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c2ccccc21 4745844 FVXJXRABTZLLCD-MFOYZWKCSA-N 401.413 5.280 10 40 HKCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 28048151 ZAZGSLHWCOKTRH-KQGZCTBQSA-N 424.330 5.021 10 40 HKCB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219298830 NUWVMOBFSRQYOR-QHAWAJNXSA-N 408.586 5.691 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834053 BBXSNYFSEBVAMM-RPWUZVMVSA-N 418.610 5.487 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3cccc4ccccc34)cc2)C1 260507304 JFPYOSGSUKMFJR-SFTDATJTSA-N 400.566 5.886 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4081971 JKZXWJQNMSFOGV-SNUQEOBHSA-N 400.227 6.719 10 40 HKCB COc1ccc(/N=N/c2nc3cc(Br)c(Br)cc3n2C)cc1 18183222 GCAISBKBIUBBJN-FMQUCBEESA-N 424.096 5.522 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 83260607 SLYOCRODQGOODQ-GXDHUFHOSA-N 413.256 6.243 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219324262 SFDACWXRRJNGDG-JPYJTQIMSA-N 414.977 5.611 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222789841 USOFNEVFOAFHNJ-JTHBVZDNSA-N 404.583 5.098 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223550922 OKVXBPXHIQXDRJ-FSTGKYBXSA-N 401.554 5.993 10 40 HKCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(C2CCCCC2)cc1 409134766 PQZCWTGESUUXNB-JCMHNJIXSA-N 407.583 5.171 10 40 HKCB Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 6221877 HZKPDOSNAHBFMR-GUXCAODWSA-N 404.362 6.314 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21 12628032 BDNLEIWCPBBREO-PJIJBLCYSA-N 424.260 6.303 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222827499 QFSJVAWRHIEHLE-GOTSBHOMSA-N 404.583 5.178 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3F)C2=O)cc1 408752750 GONGQAOZVYRYQG-JXAWBTAJSA-N 405.856 5.959 10 40 HKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccccc23)SC1=S 1205267 MAJDZZVVXRHFIM-STZFKDTASA-N 422.575 5.250 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1 5249902 QZTBVIHVLXPFAO-DGIAZZNKSA-N 419.554 5.068 10 40 HKCB aggregator CC1=C[C@H](/N=N/c2ccccc2[N+](=O)[O-])C(=N)[C@H](/N=N/c2ccccc2[N+](=O)[O-])C1=N 15162100 GMJVNQZGAAVHPY-CVZGCPHZSA-N 420.389 5.107 10 40 HKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 408736116 GEINQEXKYIJPNO-CZSZKKDXSA-N 422.355 7.399 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)ccc1Cl 409155867 DRNJKHXXTYJSSA-JKDFXYPNSA-N 423.669 5.976 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 409164200 DXFUYDXCGNHHQC-PRXAMGSTSA-N 423.123 6.177 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(C)C 409329271 DAQJJMRLLITWDD-YBFXNURJSA-N 417.527 5.275 10 40 HKCB CCn1c2ccccc2c2cc(/N=N/c3cc4cc5ccccc5cc4cc3N)ccc21 17722426 LVWOHEWJKIJNAB-NVQSTNCTSA-N 414.512 8.118 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C 260769092 KDWTULICNUSHJM-IHLLOCCUSA-N 416.594 5.695 10 40 HKCB CCn1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c2ccccc21 409345618 JQVWNCFKLIKKAB-ODLFYWEKSA-N 410.589 5.789 10 40 HKCB Cc1cccc(COc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)c1 409348508 SZOQFGRMJUUFRO-JCMHNJIXSA-N 423.603 6.108 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 5235991 PBUWEFKYNLEDEX-XMHGGMMESA-N 407.564 5.322 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3ccc4c(c3)OCCCO4)c2C)c1 5365922 VFJCXHAAXUWSQY-UHFFFAOYSA-N 421.562 5.847 10 40 HKCB Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 14463758 NASZQGNHZHSODS-LRXVAGHRSA-N 423.297 6.271 10 40 HKCB Cc1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928528 ROWMFMWETKOAFY-GVUKDKGQSA-N 401.937 7.054 10 40 HKCB COc1ccccc1/N=N/[C@H]1C(=O)N(c2nc(-c3ccc(C)cc3)cs2)N=C1C 100510955 SOQNTXCFJUAJLL-FYTMPNSFSA-N 405.483 5.002 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222785059 HAUDPCLVMRGYEG-RTWAWAEBSA-N 410.974 5.135 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222834397 RPZDYEQBRFKUHD-LADGPHEKSA-N 418.610 5.487 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C 222871861 YKUKVXSQKCMIGS-DHIUTWEWSA-N 404.583 5.180 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3Cl)cc2)C1 225378486 NURYPENQFDVXGL-INIZCTEOSA-N 405.369 5.479 10 40 HKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(Br)cc1 409052052 FVROBMNDVYOYIM-XSFVSMFZSA-N 403.275 6.097 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 834268 JJXIWAXFVWSYMY-FYJGNVAPSA-N 401.422 5.278 10 40 HKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C(C)(C)C)C3=O)o2)c([N+](=O)[O-])c1 5551826 PJWNZLHFWWQHLM-MHWRWJLKSA-N 402.497 5.163 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1 9188486 XQJPSMMFTOHQEN-QNGOZBTKSA-N 403.528 5.768 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 10215344 RKFLGADYNUIFSK-FXAWDEMLSA-N 417.317 6.003 10 40 HKCB CCOc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2C[C@H](C)CC)cc1 199408410 BJBMJZLPIZUDEH-QGZVFWFLSA-N 409.530 5.321 10 40 HKCB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 218115080 LXVYFUUDRVSPBG-MOPGFXCFSA-N 412.599 5.042 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260774936 OFUIIBVNOARHGU-UOKFIYJESA-N 416.594 5.641 10 40 HKCB CC(C)(C)c1ccc(O)c(CN(Cc2cc(C(C)(C)C)ccc2O)C2CCCCC2)c1 1679626 KLGRWWNBLUHQPB-UHFFFAOYSA-N 423.641 7.028 10 40 HKCB in-vitro CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 2678390 BCYGGQXRCODFHI-RGEXLXHISA-N 423.563 5.524 10 40 HKCB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 4815291 YKZQDGMIOIFSMS-UYRXBGFRSA-N 405.548 5.069 10 40 HKCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)OCCc1ccccc1 5182526 OHSZPTUZIROPRC-KRWDZBQOSA-N 407.510 5.221 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1 5201200 ARGAKMWQPQLIHG-HZHRSRAPSA-N 411.551 6.707 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5478294 XFGYWZZFLOUEQF-FJIJXJHWSA-N 412.599 5.103 10 40 HKCB Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 5694690 IYTFYXCOAZJNAF-UHFFFAOYSA-N 405.441 5.810 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 6740926 AFLVJSJCGOFTTI-CTDBOCAGSA-N 407.642 6.540 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 12412913 UYCZWLZXXABFBN-ULJHMMPZSA-N 404.473 5.345 10 40 HKCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 12652762 YNHNMHUESAPDDS-AUWJEWJLSA-N 402.274 5.677 10 40 HKCB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@]2(Cl)CC=CC[C@]12Cl 18188126 BATMELCQLQGSTJ-OKILXGFUSA-N 418.918 5.984 10 40 HKCB Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc(Cl)c2cccnc12 21548844 MOGKPFGPMXIXNU-IBGZPJMESA-N 407.728 6.086 10 40 HKCB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1cccc(Cl)c1 44086153 ANXZQKOHSJGZFR-UHFFFAOYSA-N 423.925 5.576 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 101135062 ZXQVEPXPKIJYQR-VKJFTORMSA-N 405.133 6.038 10 40 HKCB Cc1cccc(C(O)(C(=O)/N=N/c2c(O)n(C)c3ccccc23)c2cccc(C)c2)c1 103561260 PMESEKMLZJTZME-CYYJNZCTSA-N 413.477 5.047 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222746407 CXMCGSZFMLKINP-NHCUHLMSSA-N 410.974 5.053 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)c1 408758036 FXFHSZRIOKWMRJ-KGENOOAVSA-N 407.300 6.136 10 40 HKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 8819071 RALVMAHGWLWXTJ-WOJGMQOQSA-N 415.301 6.336 10 40 HKCB Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 106937372 OYCXZFRTWJVAOT-UGKGYDQZSA-N 411.288 5.941 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)CC2)cc1 219864671 LWHGUYCSTPMIHJ-JOCHJYFZSA-N 419.613 5.325 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)cc3Cl)cc2)C1 260897689 KBKHQTNOONUUFY-DLBZAZTESA-N 419.396 6.040 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2F)cc1 408762288 NXCPOMQOHCDSFC-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 408762698 LVNQBRZNCHDYNE-CJLVFECKSA-N 401.897 5.241 10 40 HKCB FC(F)(F)c1cccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]23)c1 409000936 ZBXGHXLUWNLYMP-BWACUDIHSA-N 418.673 7.492 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccccc1C(F)(F)F)C(F)(F)F 409002023 LQHUMRJXXCKLRR-NXVVXOECSA-N 413.321 5.356 10 40 HKCB S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccccc2)CC1 1302587 VPIRTSBZLKBSEZ-UHFFFAOYSA-N 417.361 5.751 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 4646968 REBIUGDNJNRIIZ-ZQHSETAFSA-N 405.457 6.978 10 40 HKCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccco3)Oc3ccc(Cl)cc3[C@H]2C1 247903738 LKGLOWHRKVOXEQ-UZLBHIALSA-N 401.249 5.534 10 40 HKCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 677089 VGHWHOBOZFXCJT-UHFFFAOYSA-N 404.535 5.334 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1 8821555 PPHTVBFHAMBYJL-RVDMUPIBSA-N 422.369 5.791 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 27519444 WTLAVBYOQOIQIU-QGOAFFKASA-N 422.311 6.473 10 40 HKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(Oc4ccccc4)cc3)c2C1 33714730 HUFANLUZRBNIAU-UHFFFAOYSA-N 407.513 7.092 10 40 HKCB Fc1cccc(/N=N\c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)c1 104222704 QXKRKBKXHDUJQJ-IZHYLOQSSA-N 418.522 6.834 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc4ccccc4c3)cc2)C1 222837270 KGVUORDUPXOKMG-WOJBJXKFSA-N 402.538 5.332 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222873170 UMOWAMYMVNMLNA-DNQXCXABSA-N 418.610 5.434 10 40 HKCB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C 225667238 JODSZKJCMCJLAN-QUCCMNQESA-N 408.586 5.854 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 408585495 GCAQFPLBNBAFBN-LSCVHKIXSA-N 402.277 5.179 10 40 HKCB CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 409037131 SNCIMWVUARUVAH-OQLLNIDSSA-N 411.427 5.501 10 40 HKCB Cc1ccc(C)c(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 409055243 XVZZIJMKCMKWDB-KGENOOAVSA-N 416.904 6.517 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4502270 PLBLHQIQVLEBNH-YZZKKUAISA-N 403.884 6.537 10 40 HKCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)OCCOc1ccccc1 5182538 WGZHYTGPKKYCJO-KRWDZBQOSA-N 423.509 5.057 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 8092237 CEWQOAQJWBYQCX-SOZUMNATSA-N 408.712 6.260 10 40 HKCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc2ccccc12 13566887 ZSIZYNPBTIBLMU-BKUYFWCQSA-N 421.543 5.306 10 40 HKCB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 214710713 CHMTXEVCMYZTRJ-LICLKQGHSA-N 407.322 5.296 10 40 HKCB Cc1c(N2CCCC2)ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1Cl 222639144 SYRAEMHIQHAUTQ-WVFSVQOHSA-N 412.990 5.233 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222871998 PQSVSLRHFFGBOA-PKTZIBPZSA-N 404.583 5.180 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222962119 RPKWSSOCZAQEAS-RPWUZVMVSA-N 418.610 5.570 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)C 409340129 QWLOFNIQLYRGBE-MOSHPQCFSA-N 413.564 5.274 10 40 HKCB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 16791086 OHCKUHXEPDBSAH-LDADJPATSA-N 421.349 6.100 10 40 HKCB CCN(C)c1ccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1F 72289939 WIESAIAWFWIIGA-UHFFFAOYSA-N 400.929 5.028 10 40 HKCB CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(CCCOC)C3=O)ccc21 96921015 HAHFWGYPMHPVLA-XSFVSMFZSA-N 410.564 5.052 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1Cl 100510990 NCRHXRLKRNAQTO-IUBFCHALSA-N 409.902 5.647 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 102709986 HMJZOWULXOKDED-DPLHUUCSSA-N 407.941 6.656 10 40 HKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)n1-c1ccccc1 225030895 DNZYPCCASDVOGR-GOTSBHOMSA-N 402.567 5.096 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225833222 DJIDFRYDNNXKAI-VXKWHMMOSA-N 422.613 5.999 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408760054 QRWNNXRYBNLNGS-JXAWBTAJSA-N 405.856 5.959 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408764194 LPNCOFMQLMRRKF-DEDYPNTBSA-N 421.815 5.222 10 40 HKCB CCOC(=O)N[C@H](CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1 409003305 RTQZDNSEFJRCGN-RBGJJZJSSA-N 416.481 5.918 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1c(F)cccc1Cl 409023209 UWJPCKCIVTZXJZ-GDNBJRDFSA-N 420.267 5.318 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409344521 GWRQIFVBEZCMEV-CPNJWEJPSA-N 417.527 5.419 10 40 HKCB CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2c1N 2028168 YKXTZBKBSSBHSA-UHFFFAOYSA-N 408.910 6.043 10 40 HKCB Cc1ccc(C)c(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c1 3212113 MMCFEHDGPJRMOY-UHFFFAOYSA-N 422.366 6.679 10 40 HKCB biogenic CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c(OCC)c1 108053522 OQVMFFATAWNQSA-WQRHYEAKSA-N 402.903 5.220 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3cccc4ccccc34)cc2)C1 260507297 JFPYOSGSUKMFJR-LEWJYISDSA-N 400.566 5.886 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(C)cc2)cc1 408762499 BQUZGRSOAKNRHL-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cc2ccccc2)cc1 5193398 MJWANHFWVBZTBN-UHFFFAOYSA-N 417.464 5.305 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1C 9187038 HMDRCUHCWCRVGQ-CXUHLZMHSA-N 404.900 5.271 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 103917187 KWYFVKBWXKHIDC-KQWNVCNZSA-N 424.529 6.072 10 40 HKCB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219029970 CYZUHKYEIZNWBE-NJYVYQBISA-N 416.565 5.721 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1C 222617913 UXNGAPJDRYFUTG-YRUKQIKQSA-N 416.594 5.695 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)C1 260455505 ZLBJQJCNCBJTLR-LEWJYISDSA-N 406.614 6.030 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1 408736231 MTBYBFPMFBVZTN-RNHFSVANSA-N 417.936 6.754 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 409339143 FFXPYIJKHZVSAR-HTMJNSLASA-N 403.956 5.923 10 40 HKCB Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 2679435 KDBHXXAGPGCDHE-UHFFFAOYSA-N 408.325 6.515 10 40 HKCB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1 5689509 ZEDRHEYDFWGBCJ-LJQANCHMSA-N 412.489 5.431 10 40 HKCB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 7378993 FDNWQPNOCLOBMS-UHFFFAOYSA-N 404.510 5.014 10 40 HKCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2)cc1 17090280 CNPZJPLGLORFKZ-QJOMJCCJSA-N 415.468 5.280 10 40 HKCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(C)(C)C)o3)c2C)cc1 40134562 XFKCMHNKNDAMGT-UHFFFAOYSA-N 413.543 5.148 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 208682521 NXRVFWWSJJQQFN-NDENLUEZSA-N 424.331 6.207 10 40 HKCB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225813908 SVYCXSDHTIUYGD-SJORKVTESA-N 420.475 5.198 10 40 HKCB Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 408736103 FLDRPZQFKVVDGX-UWVAXJGDSA-N 404.362 6.314 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 409352049 VVKFGWVYGGDGFU-QNGOZBTKSA-N 403.528 6.193 10 40 HKCB c1ccc(OCCOc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 4550910 IDBRQAKSJOFIHP-UHFFFAOYSA-N 406.485 6.589 10 40 HKCB CCSc1nnc2c(n1)O[C@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 4619064 UYMPJJAHTXDARR-HXUWFJFHSA-N 402.479 5.013 10 40 HKCB Clc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 6276772 OATPWHYBWFRJDD-FHSNZYRGSA-N 407.682 5.771 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 20598186 UPZQBMUNPBQUAC-DCGLDWPTSA-N 404.691 5.627 10 40 HKCB Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 208675017 KXUCJIWDNJMRNG-MOSHPQCFSA-N 424.978 6.153 10 40 HKCB C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 218030371 OXYGQDSLDXUAKB-MSOLQXFVSA-N 417.018 5.687 10 40 HKCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c(C)c1 222745321 LTFKCZBUCFYCAL-FYYLOGMGSA-N 404.583 5.017 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408760735 FFFORPZYRMWKAU-LDADJPATSA-N 411.230 5.016 10 40 HKCB Cc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)n1-c1ccc([N+](=O)[O-])cc1 409120256 SSMMBTOBZQJPSH-UCQKPKSFSA-N 415.493 5.546 10 40 HKCB Cc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1 924781 ULMUJLDZMYGHTD-UHFFFAOYSA-N 421.497 5.370 10 40 HKCB Cc1cc(C)c2nc(Cl)c(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 5249825 UKMJEINYWUBPSF-ZUCPIXAKSA-N 417.940 5.142 10 40 HKCB CC(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 9185466 ORNPYRJRWHXRPW-MHHBVAOCSA-N 422.941 5.325 10 40 HKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(CC)CC)cc1 13756930 ZVTYKLWULZFUFU-PGMHBOJBSA-N 406.486 5.027 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2[C@H](C)CC1(C)C 208314835 NZSAVZIZVVSGIX-VVRYKASASA-N 419.594 6.190 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc21 208448397 IGBYKNLIOVQBCF-BKUYFWCQSA-N 403.551 5.709 10 40 HKCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)cc1 408759238 AIZWRIUMZRJNRU-DEDYPNTBSA-N 420.827 5.012 10 40 HKCB Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1F 408900924 ACUXMQMBKYZSIY-DEDYPNTBSA-N 408.523 5.639 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409009374 DXNMWPHGUODEOY-RGVUVNHFSA-N 423.365 6.236 10 40 HKCB Cc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 409050809 AAJJAUBNNPZRRS-NVNXTCNLSA-N 410.347 5.409 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409176050 XOQFLVXELCSIFR-DDBGAENHSA-N 408.712 6.260 10 40 HKCB CCc1cccc2c(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c12 409328638 ZFOKZBUEHYRIHJ-LICLKQGHSA-N 409.492 5.044 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1 9189202 MACFGOOEJUKOMA-JCMHNJIXSA-N 423.603 6.108 10 40 HKCB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)n1 44086270 OIZSKXBWOXLKCX-UHFFFAOYSA-N 420.563 5.094 10 40 HKCB CN(CCc1cc[n+](C)cc1)c1ccc(/N=N\c2ccc(Cl)cc2[N+](=O)[O-])cc1 104205694 IZFKOVYOKHMXIS-VHXPQNKSSA-N 410.885 5.167 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)c1C 208193531 SDVKQODOPGVRPU-NXUSMQHESA-N 419.594 6.108 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(Br)cc3)cc2)CC1 217869245 JNPDRKYGHORNOX-INIZCTEOSA-N 401.348 5.176 10 40 HKCB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCCC2)cc1 225695550 UPWAILCBUUPLKT-ZDUSSCGKSA-N 422.367 5.236 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)c1 408759034 WUDGYRXVRUMCFM-QGOAFFKASA-N 418.905 6.291 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c2ccccc21 409352269 XAMIONYIFWIYQX-NDENLUEZSA-N 424.616 6.179 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 1247492 KIVSKAPIHQYYCZ-APSNUPSMSA-N 424.330 5.124 10 40 HKCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)c1 1772575 IUFJGKSRBAZZJF-UYRXBGFRSA-N 421.547 5.228 10 40 HKCB CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN(CC)CC)c12 5182447 BANNLVBXWIQNFG-UHFFFAOYSA-N 408.542 5.666 10 40 HKCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O 5374412 WYJCYPFYKGPSJT-JYRVWZFOSA-N 402.850 5.103 10 40 HKCB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216017 VPQWFAYSCJGCNW-XXBNENTESA-N 421.884 5.082 10 40 HKCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 16227881 HJXUGBLHAHQTRA-UNOMPAQXSA-N 422.487 5.162 10 40 HKCB O=[N+]([O-])c1cc(Br)c(/N=N/c2ccc(O)cc2)c(Br)c1 18058604 NLDRBKFCMSXIMY-FOCLMDBBSA-N 401.014 5.241 10 40 HKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1c(C)cccc1C 408531431 OBOINLNHXQDVDL-BOPFTXTBSA-N 412.331 5.401 10 40 HKCB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)cc2)C1=O 408807271 GTYKOJMBGKTZPU-GXEQYHJJSA-N 420.602 5.807 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 408987006 UIYPTWQAOKXZCI-CPNJWEJPSA-N 401.849 5.510 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S 409196268 VDCGDDJIFDWAPZ-ATVHPVEESA-N 412.561 5.387 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 100556527 PMPCSELVGFJXCO-GZTJUZNOSA-N 423.812 5.020 10 40 HKCB CC[n+]1c(C=C2C=C(C)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C(C)=C2)sc2ccccc21 102137152 AEHMMKYBVOKIJU-DWQJTFDBSA-N 405.631 6.540 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3cccc4ccccc34)cc2)C1 222677452 JFPYOSGSUKMFJR-NHCUHLMSSA-N 400.566 5.886 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2Cl)cc1 408787157 SNZJVACXEOSWFL-XMHGGMMESA-N 416.864 6.028 10 40 HKCB CC(=O)N1CCCCCCN(Cc2cc(C(C)(C)C)ccc2O)Cc2ccccc21 643562989 BRDGLPJIACEJPA-UHFFFAOYSA-N 408.586 5.619 10 40 HKCB COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)c1OC 4664567 BOKUEZDPRWVPMX-ZJNRKIDTSA-N 404.279 5.432 10 40 HKCB aggregator Cc1cc(C(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccccc1 8193277 JFUFWBSGGUKRIU-GOSISDBHSA-N 417.534 5.431 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 11859520 SSWHUEHHYRFWSO-JKSBSHDWSA-N 415.364 6.302 10 40 HKCB O=C1/C(=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)SC(=S)N1c1cccnc1 58195022 RGPLKNILINEOCQ-WCSRMQSCSA-N 421.330 5.113 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 260781279 SPRDVBHKQUYMIL-FOVJLYNBSA-N 416.594 5.777 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 408758650 OMUJOGZXYSTPSP-HKWRFOASSA-N 401.893 6.128 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([C@@H](C)CC)cc3)C2=O)cc1 408983313 ASSZNOVGUAQLIM-ARCUFYBBSA-N 423.556 7.070 10 40 HKCB CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c1 409337973 AMRIGIGMSJCNKL-WJDWOHSUSA-N 420.353 5.254 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c2ccccc21 13748343 LDVAMJOHXZWZFM-WOJGMQOQSA-N 423.925 5.376 10 40 HKCB Cc1ccccc1NCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 13881961 JGOOOJIWSKQWMA-MHWRWJLKSA-N 419.369 5.028 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1c(Cl)cc(Cl)cc1Cl 100697345 IIHDFUDKIQJYKF-DHDCSXOGSA-N 408.716 5.982 10 40 HKCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O 113831118 SUZGHIFSWXNTOX-FYJGNVAPSA-N 400.528 6.035 10 40 HKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 409245761 YUSAFCCPQLMHMJ-HMAPJEAMSA-N 422.550 5.230 10 40 HKCB Cc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)o1 4158712 OKVOUZWYJGREPU-VKAVYKQESA-N 409.573 5.385 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 33660523 RHPWFSMGWWBNSF-XQJJYNOISA-N 411.672 6.087 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCC[C@H]1C 1340046 GJYPVKVCSARXHE-MRXNPFEDSA-N 405.995 5.353 10 40 HKCB CCOc1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1OC 4480135 UYZBRTSDVRBRFU-GZTJUZNOSA-N 422.428 5.195 10 40 HKCB O=C(O)COc1ccc(/N=N\c2ccc3cc(Br)ccc3c2O)cc1 25693009 QCURKLGNSOCWSK-MRCUWXFGSA-N 401.216 5.187 10 40 HKCB O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21)N1CCCC1 102991069 UNOROEPJHJHSTA-LVCYWYKZSA-N 423.354 5.512 10 40 HKCB CCN1c2cc(C)c(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2[C@H](C)CC1(C)C 208319890 SKZIVVSCGUCSKS-MMTNMYCKSA-N 401.554 5.913 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 409152312 DWWQBBDHPWUBIR-YPCDYVTLSA-N 418.005 7.767 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 13943401 YTARBRUXNJBGPC-AUWJEWJLSA-N 412.319 5.113 10 40 HKCB COc1ccc(/C=C2/SC(=S)NC2=O)cc1Oc1ccc(Cl)cc1Cl 16227620 LLNQLRMARNZZRH-VIZOYTHASA-N 412.319 5.283 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Cl)cc1 408995451 ACKGNPGAXVYYPM-XSFVSMFZSA-N 408.910 5.635 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409151859 HVCCOCNNJFSXIS-QFSBIZTOSA-N 406.225 5.636 10 40 HKCB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 4959599 JOKJMQHCVVMSMH-VFGMZZLHSA-N 400.272 5.013 10 40 HKCB CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 17265030 DFNBIIKFLUIGEF-YVLHZVERSA-N 419.706 5.307 10 40 HKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N\c2ccc([N+](=O)[O-])cc2)c1O 104367061 VZEZEKXEFKSTBJ-QPLCGJKRSA-N 412.405 6.121 10 40 HKCB Brc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 226782222 KLYFCRCTRIKBNK-KEYYUXOJSA-N 405.133 6.038 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F 408896240 WYAGIEBSBJPYMT-PDGQHHTCSA-N 415.411 5.199 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CC[C@H](C)C2 4116303 HBVUOGIXHMAPSL-HNNXBMFYSA-N 407.539 5.141 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1 5174111 JBPMHIHOWCTXOB-PTGBLXJZSA-N 403.481 6.320 10 40 HKCB COc1ccc(C2(Nc3cc(C)c(Cl)cc3OC)C(=O)c3ccccc3C2=O)cc1 9606212 SBZOGRQANQBZCL-UHFFFAOYSA-N 421.880 5.052 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)cc1C 33776332 NMMSEBNOOLNTFX-BKUYFWCQSA-N 409.530 5.434 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222873694 WVVGASUYCOVHCX-FGZHOGPDSA-N 408.546 5.011 10 40 HKCB CCN(CCCNC(=S)Nc1ccc(Br)cc1F)c1ccc(C)cc1 225734137 HDKCZAAYGPDHFK-UHFFFAOYSA-N 424.383 5.100 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)C 409333782 VWZIAQNANHTROM-DEDYPNTBSA-N 413.564 5.587 10 40 HKCB Brc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1 7097648 RJMQTSXJQCSXGU-FUDKSRODSA-N 402.335 6.943 10 40 HKCB CCc1cccc(CC)c1NC(=O)CNc1cc2oc3ccccc3c2cc1OC 7846642 QRTCZTOZFLLTEQ-UHFFFAOYSA-N 402.494 5.770 10 40 HKCB CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 27062347 XHRTUYJIGISFHW-OQLLNIDSSA-N 408.342 5.319 10 40 HKCB CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 409030645 HCTHJSIKHWTUJQ-CPNJWEJPSA-N 411.427 5.627 10 40 HKCB CCOc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O 4553683 QILDMOSYIDWIOE-XCLFUZPHSA-N 414.571 5.822 10 40 HKCB O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 33424022 UERBWAIJJXLAQL-ZROIWOOFSA-N 410.398 5.019 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(-c2ccccc2)c2cccnc12 44827013 IDIBQMZAZFYTMZ-QJOMJCCJSA-N 404.473 5.620 10 40 HKCB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(Br)cc1 409194283 JKUCEAAVMFPGKG-DEDYPNTBSA-N 407.311 5.374 10 40 HKCB COc1ccc(Br)cc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 4959412 FVAPGMNLQMHFFK-KSMMKXTCSA-N 401.260 5.192 10 40 HKCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 8997237 GRSJGSCGJJWSBD-MOSHPQCFSA-N 419.868 5.254 10 40 HKCB aggregator Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])S1 16051097 UECLOUKIOONEOS-RQIKSRJSSA-N 423.494 5.371 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c2ccccc21 33330080 ILHXCUIZRWRKKT-UYRXBGFRSA-N 403.507 5.031 10 40 HKCB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]21 100027408 DCRGAADTEDREEN-NUEUSUFNSA-N 421.456 5.061 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208219386 HFPOJQQDMIZGNJ-CTFRJJSNSA-N 408.592 5.814 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291512 MEVOHWWBOLUEFJ-UHFFFAOYSA-N 420.317 5.166 10 40 HKCB C[C@H](c1ccccc1)N1COc2ccc3c4c(oc3c2C1)C(=O)c1ccccc1C4=O 21670260 ALJXQYRJBKNWOR-OAHLLOKOSA-N 409.441 5.121 10 40 HKCB biogenic CCOc1ccc(C(=O)N(Cc2ccc(N(CC)CC)cc2)c2ccccn2)cc1 28290674 RWLJDAMUZGZOPR-UHFFFAOYSA-N 403.526 5.174 10 40 HKCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 112287319 GZVOEKGXYUAVFE-ULJHMMPZSA-N 413.477 5.596 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 408841518 JNFGLZYLWXNQAC-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 409022867 HAROHDBJYCKEQA-APSNUPSMSA-N 422.695 5.524 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1c(F)cccc1Cl 409062018 LVJACMYDUPNYKQ-LGMDPLHJSA-N 403.881 5.042 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 3069365 COOZYIIOCNQSIF-YBEGLDIGSA-N 418.337 5.058 10 40 HKCB Cn1c2ccccc2c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 4109194 WJJKXXPHOFNOOL-STZFKDTASA-N 400.528 5.737 10 40 HKCB O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)c(Cl)c(Cl)c(Cl)c21 4827330 FTXFHFHHDGSMTD-UHFFFAOYSA-N 408.712 6.167 10 40 HKCB Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)OCCOc1ccccc1 5182542 WGZHYTGPKKYCJO-QGZVFWFLSA-N 423.509 5.057 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1 9188871 RUQJFERYWWIURP-JCMHNJIXSA-N 406.551 5.276 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(OC)c1 35041352 FXFBILRCWBUFIY-UDWIEESQSA-N 407.516 5.263 10 40 HKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 208669481 UYOZXMLPZVNMEB-HAHDFKILSA-N 409.514 5.772 10 40 HKCB Cc1c(N2CCCC2)ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1Cl 222638952 SYRAEMHIQHAUTQ-LVXYXVKQSA-N 412.990 5.233 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Cl)cc2)cc1 408756861 XVPYHCVPJIPCSK-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)cc1OC 408760367 XLBYLTYJRIRKOU-PXLXIMEGSA-N 412.489 5.155 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408767451 XTONPHKSIRFHJY-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB COc1ccc2ccc(OC)c(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2c1 408903238 WEJCPJNPISIIOC-DEDYPNTBSA-N 407.516 5.263 10 40 HKCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408999998 WNTARUNUWOKVOZ-KAECEXQPSA-N 416.304 5.427 10 40 HKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 33540839 KXQNVTKBXHECPJ-STZFKDTASA-N 420.921 6.001 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 41083379 ZWMDWEQEVDLIAG-YIFJCWOOSA-N 419.554 5.130 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1 41083407 MDFIRIVARLFKGE-FSKGJUTHSA-N 416.865 5.158 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2F)cc1 408762048 MPRXSZZTUKLJQV-KOEQRZSOSA-N 422.459 5.822 10 40 HKCB CN1/C(=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21 4456023 WTLQVBKQPPRBCM-XDOYNYLZSA-N 415.543 5.865 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 58883974 LQURHWVPOPCCQL-DHDCSXOGSA-N 422.695 5.524 10 40 HKCB COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 95465447 AGPPEFJZYGRRHD-PMACEKPBSA-N 419.521 5.096 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 3044062 BMAIHVAOOMAPIP-KGENOOAVSA-N 409.555 5.256 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)CC1 44854070 QLKRPEYUXPNZIT-JOCHJYFZSA-N 419.613 5.400 10 40 HKCB O=C(N[C@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)c1ccccc1)c1ccco1 100432936 WEGBNVJTBUUKNO-NFOKUVPFSA-N 424.460 5.746 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260569886 SWCMXFJRWXHQSR-IERINAHZSA-N 415.581 6.302 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408770332 WHWAKXRLVYFYRO-VBKFSLOCSA-N 402.277 5.261 10 40 HKCB CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1OC 7737329 AKMSNJMALYAXDD-WJDWOHSUSA-N 405.928 5.153 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c(C)cc(C)cc1C 16267159 WHHXGAPKNXQXNQ-SXGWCWSVSA-N 407.728 6.378 10 40 HKCB Cc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 17129925 DFJXJVKXCJTBSY-OCOZRVBESA-N 414.559 7.004 10 40 HKCB CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 33432371 WQBYEXBMKKTEMX-UCWFDPAESA-N 419.554 5.247 10 40 HKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4C)C3=O)n2)cc1 100510810 IWTQXXIUNOVXLS-SMIQVMJNSA-N 405.483 5.002 10 40 HKCB O=C1/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1c1ccccc1 113830416 ODPCIARUBUITPD-MDWZMJQESA-N 411.291 5.307 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)CC1 218498665 YUFQEDKYQBCWBO-LJQANCHMSA-N 412.533 6.313 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225833242 DJIDFRYDNNXKAI-FCHUYYIVSA-N 422.613 5.999 10 40 HKCB O=C1S/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)C(=O)N1c1ccccc1 408816147 SPQRFJUUMVOPEG-QIEPSYMVSA-N 401.447 6.049 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1C(F)(F)F 409056162 MYOUAEAFLXEOSI-KAMYIIQDSA-N 421.802 5.236 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S 409339816 YXGUGRKZVYLASM-KGENOOAVSA-N 405.544 5.640 10 40 HKCB O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 3941699 MXKHJVTZHIIIMQ-UHFFFAOYSA-N 407.510 5.083 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 5520138 RMQRUYWFGNXNCK-STZFKDTASA-N 406.576 5.927 10 40 HKCB Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 9805565 PFSGPACQMXPRCU-BKUYFWCQSA-N 421.543 5.568 10 40 HKCB COc1ccc(/N=N/c2c(-c3ccccc3)nn(C(N)=S)c2-c2ccccc2)cc1 16930170 FFNFNYLTWGACFJ-OCEACIFDSA-N 413.506 5.733 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)c2ccccc21 17248395 YIPKGRQFCCOFBQ-QGOAFFKASA-N 403.507 5.031 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 96006220 ZOJXXDRSGRXKGD-CPUCHLNUSA-N 404.691 5.627 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208257265 GXDFCPJTURCUOL-PFHZTYADSA-N 423.944 5.155 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260919754 NKBTXIPXNDDOCO-DHIUTWEWSA-N 420.626 5.486 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Br)c1 408765289 OUKGYXFYIHSVAQ-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 1278073 RWRWPEVKLHPRKW-OAQYLSRUSA-N 406.869 5.046 10 40 HKCB CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 8492205 JNLOGMMXZDOACY-TVQOXHERSA-N 419.293 5.283 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1Cl 9188625 MOIPKKKZHBDDAE-CHHVJCJISA-N 414.766 6.361 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 28290668 VVGOVNMDULVAOO-UHFFFAOYSA-N 415.581 6.072 10 40 HKCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222616779 CYZDHNOBEKYHNU-IRBZQWRBSA-N 418.566 5.087 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222873050 UMOWAMYMVNMLNA-RPWUZVMVSA-N 418.610 5.434 10 40 HKCB COc1ccc(C2=C/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)O2)cc1 408740982 GCCYZXUKIKEWLW-PXLXIMEGSA-N 421.496 5.988 10 40 HKCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408984634 ISPSAXBIGNZCNW-XMHGGMMESA-N 406.312 6.773 10 40 HKCB CCCN(CCC)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 4118955 BZWVIQYEHBFEQL-JAIQZWGSSA-N 418.871 5.589 10 40 HKCB CSc1c(C(=O)Nc2ccc(Cl)cc2)ccc2c1C(=O)c1ccccc1C2=O 4452227 OBSUQMRRAVNQNJ-UHFFFAOYSA-N 407.878 5.090 10 40 HKCB O=C(Nc1ccccc1)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1O 9597249 WXWWFVZVZAEYGU-UHFFFAOYSA-N 414.408 5.940 10 40 HKCB COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13389279 PXIYOTCBALVQRI-VPZZIHKRSA-N 406.309 5.846 10 40 HKCB COc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 36229968 NUAVAFAHUHNVNE-BIENJYKASA-N 403.263 5.126 10 40 HKCB Cc1ccc2ccc([C@@H](Nc3ncc(Cl)cc3Cl)c3ccccn3)c(O)c2n1 46085517 XWSINNGIBFZYPR-LJQANCHMSA-N 411.292 5.547 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222618512 KDWTULICNUSHJM-OEOAZWSVSA-N 416.594 5.695 10 40 HKCB CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)ccc21 408900970 AXUBIXMVXXGRKZ-PXLXIMEGSA-N 414.555 6.220 10 40 HKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 409231096 BKABVMZYQMEZEU-HMAPJEAMSA-N 422.550 5.230 10 40 HKCB CC[C@@H]1CCCCN1Cc1ccc2c(ccc3c(-c4ccccc4)cc(=O)oc32)c1O 4540321 GNMXYJGHKAHUCX-HXUWFJFHSA-N 413.517 6.083 10 40 HKCB Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C/c2cn(CC#N)c3ccccc23)S1 6267414 GNFJBMXSGHPWQW-GRSHGNNSSA-N 406.898 5.209 10 40 HKCB CCCc1cc(=O)oc2c(CNc3ccc(OCc4ccccc4)cc3)c(O)ccc12 6669789 CEHXSPBNVADQHD-UHFFFAOYSA-N 415.489 5.642 10 40 HKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 36082270 UUACWNPNBIQLOG-UMFSSWHCSA-N 409.485 5.935 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222828101 NCKNJIFAWXBCOY-DNQXCXABSA-N 418.610 5.432 10 40 HKCB COC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 226903624 WXBFERBYEBBCNO-JEYPMZLKSA-N 405.497 6.606 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N1 408837502 HHEGCGMTTNPATB-KCYKTTMJSA-N 422.440 5.197 10 40 HKCB O=C(COc1cccc(C2Nc3cccc4cccc(c34)N2)c1)Nc1ccc(F)cc1 3641621 KEHZBQNWQSXKEY-UHFFFAOYSA-N 413.452 5.533 10 40 HKCB COc1cccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c1OCc1ccccc1 4614338 VCSSXVOPQXCETK-KQWNVCNZSA-N 412.489 5.389 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 5946100 OGUDQEBKDAPSHE-MHHBVAOCSA-N 423.517 5.043 10 40 HKCB COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 9763612 FTQLDMVTJMBLFI-VEVIJQCQSA-N 422.269 5.571 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1 112288002 SGKZRBQLRMAIHP-PLRJNAJWSA-N 411.505 6.368 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)C1 218498867 JQYKLVYBSCLDQJ-RTBURBONSA-N 412.533 6.313 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 260899263 KQVXARYYIURQBQ-IRXDYDNUSA-N 419.396 6.040 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccccc1F 4672782 SXAYRIOUUUUYFY-KGENOOAVSA-N 416.452 5.219 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 13809787 SWWFRDMIQMINGI-LDADJPATSA-N 423.515 5.182 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)c2ccccc21 33332464 QAHDDVPWOIDADT-MOSHPQCFSA-N 401.466 5.175 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)S2)c1 208190891 FYTSVXCDKODPOR-RDPIHGLISA-N 405.567 5.799 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222873897 CYYWOKDUYHPIMB-FCHUYYIVSA-N 408.546 5.011 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)c1 408763874 PNBVKSNBTGKMNG-KGENOOAVSA-N 423.299 5.837 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409335946 ZVMJGZXCPPZGPS-NPRIEWAGSA-N 413.564 5.274 10 40 HKCB CCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 721734 JDKXRPSDECBQLG-UHFFFAOYSA-N 405.560 5.187 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3C)C2=O)cc1 3074904 IZKQCWADKOWRFD-KGENOOAVSA-N 409.555 5.256 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 4321338 POHNNZIHPZIYMQ-AIQNWGLSSA-N 412.489 5.692 10 40 HKCB CN(C)c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc3ccccc23)cc1 4807172 VKVSRTDSURLONI-MNDPQUGUSA-N 417.512 5.775 10 40 HKCB Cc1cc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nc2ccccc12 5688693 OEWZPKXKEWIHON-UHFFFAOYSA-N 404.510 6.065 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1 5744294 WJMBKYHKMWEVMN-HKOYGPOVSA-N 404.469 5.683 10 40 HKCB Cc1ccc(/N=N\c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)cc1 104223394 DFJXJVKXCJTBSY-IZHYLOQSSA-N 414.559 7.004 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccc(F)cc1 408752393 AIILKUWPOCEMOH-LFVJCYFKSA-N 410.423 5.953 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408759350 COGKBEFGLOUTPV-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)c1 408845247 VKKJKLJRLAHGJG-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(F)cc2)c(C)c1 408853612 QIXFYDZCIGQDFQ-BUVRLJJBSA-N 414.480 5.828 10 40 HKCB CN(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1 1708326 DRQOAICHSPZZQO-UHFFFAOYSA-N 418.584 6.826 10 40 HKCB biogenic,in-vitro Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c(C)c1 4183998 UVZOFQAAINUORX-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1 5182805 GHCQANLUGHWYGZ-UHFFFAOYSA-N 407.510 5.592 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)S2)cc1 6267022 KIAXTMAECKOLOE-HMAPJEAMSA-N 418.493 5.796 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1 15011606 CPJFRURCYGWNRT-LDADJPATSA-N 408.460 5.261 10 40 HKCB COc1ccc(OC)c(C2=C/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)c1 33926531 KOUFYWOQSIEVHH-XMHGGMMESA-N 408.453 5.992 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)C1 44854939 KWCGUNFXMMHCHU-FCHUYYIVSA-N 419.613 5.012 10 40 HKCB CC(C)c1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 58928737 JFDGXWRAHPVJOQ-UWVAXJGDSA-N 412.327 6.097 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cc1OC 96921007 DFCQLDHXDIWHOR-LDADJPATSA-N 419.593 5.337 10 40 HKCB CCOC(=O)c1ccc(-n2c(C)cc(-c3nc(O)c4c(C)c(C)sc4n3)c2C)cc1 408735214 ORHRFUBRTKKSJH-UHFFFAOYSA-N 421.522 5.265 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(C)c2)cc1 408758497 LCMCEPFROKRNCE-LPYMAVHISA-N 421.327 6.445 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1Cl 112290400 HCPGKDHYGDYVFT-ZHZULCJRSA-N 424.957 5.516 10 40 HKCB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1N1CCCC1 260755958 CLHKZJCRXGRAEF-CDNPAEQRSA-N 422.598 5.060 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3\C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)c1 408755747 MRZAQAWECHRUQO-XQNSMLJCSA-N 411.545 6.681 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 408761200 CWFMFNHKRVILIT-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 408777053 UXHHCTBAWCOSQR-WLGHQHAYSA-N 403.551 5.256 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4132054 DDEKIEWNLHPDSL-KRKXHZOKSA-N 412.489 5.692 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 4664574 VJKHASMPDYRGDV-PRXAMGSTSA-N 412.224 6.434 10 40 HKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)c1OC 8168993 QFPSIJRLMMMUTL-OAVHHTNSSA-N 409.835 6.203 10 40 HKCB O=C1c2ccccc2C(=O)c2cc3c(N4CCCCC4)cc(-c4ccccc4)nc3cc21 36037562 TVPNNMPBKFQPBN-UHFFFAOYSA-N 418.496 5.668 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144215047 AQKLWRDZSWDVKS-MTJSOVHGSA-N 422.937 6.297 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3cccc4c3CCCC4)cc2)CC1 224542886 KPVUYZAOHUCWTH-RTWAWAEBSA-N 420.597 5.446 10 40 HKCB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1cccc(C)c1 408849428 ZXMKOZCBOMAAHY-XIEYBQDHSA-N 418.496 5.991 10 40 HKCB COc1ccccc1/C=C/C(=C1\C(=O)N(c2ccccc2)N=C1C)c1ccc(C)cc1 4476921 IVZDVNROUSBGJQ-FAWJACLCSA-N 408.501 5.893 10 40 HKCB CSCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 9746879 FDQSWYTXLKZYSG-LFIBNONCSA-N 409.985 5.554 10 40 HKCB Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 13616337 CZSSBUYCKMDHGH-UGKGYDQZSA-N 421.294 5.397 10 40 HKCB COc1cc(/N=N/c2ccc(N)nc2N)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1 18156451 IFUWHSTUYLHHCN-OGGGYYITSA-N 422.405 5.002 10 40 HKCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 103917170 BDTVQJIUVWRUQQ-YVLHZVERSA-N 400.866 5.197 10 40 HKCB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCCC1 222679583 CLHKZJCRXGRAEF-YSZBQJHXSA-N 422.598 5.060 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 222800876 XPNPTEHRECFHAI-FQEVSTJZSA-N 408.586 5.477 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408771429 GIVUHBXLISUMHH-GHRIWEEISA-N 400.463 5.113 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S 409005466 DRQJGBCGMRMAQZ-ZSOIEALJSA-N 417.861 5.840 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)cc1Cl 409329960 JDEJXPTUZIZCLU-ZDLGFXPLSA-N 419.955 5.542 10 40 HKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 1013070 ZGMNMBBPQYLJIG-UDWIEESQSA-N 419.458 5.190 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 13712201 WZUYBTOBEHHKBX-YBEGLDIGSA-N 409.454 5.510 10 40 HKCB O=S(=O)(O)c1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 18191782 VKLGUVRHXMGJRL-OCOZRVBESA-N 404.451 5.406 10 40 HKCB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc(C)c4)C3=O)n2)cc1 100510804 QCADXQHJRYMBHX-FYTMPNSFSA-N 405.483 5.002 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3F)N21 222678771 ZJMCPLRVEFZCCZ-NPFVIJTESA-N 410.562 5.190 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222690480 ASGQWKFJGUYDQZ-ZQMYSKGWSA-N 422.598 5.060 10 40 HKCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccc(OCc2ccccc2)cc1 408723110 QJMZUKHJHLZQFF-XYGWBWBKSA-N 404.465 6.400 10 40 HKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccccc23)c2ccccc21 409197405 DSSGZCHFGJFQMY-HKOYGPOVSA-N 422.528 5.936 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1 4150687 IXPVPOSHMSMYLW-NJOZZACWSA-N 410.930 5.223 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417963 XABBJUWOSNVSPI-NSIKDUERSA-N 411.291 5.307 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)c1 208190927 FYTSVXCDKODPOR-JHDSZEHQSA-N 405.567 5.799 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C 208227516 DLJANOIIEKXIAE-JHDSZEHQSA-N 422.619 6.123 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222612480 NYUZDYUEHVJEFI-RTFZILSDSA-N 402.567 5.387 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 222695338 VFFHWMXHQHWWAO-WDJPJFJCSA-N 416.594 5.777 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1 222827382 QFSJVAWRHIEHLE-PKTZIBPZSA-N 404.583 5.178 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc21 260777979 QSWQCCJEYSCPKF-WQTXXOFMSA-N 404.583 5.303 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 4657346 QNRRQJFQQGCGJE-BKUYFWCQSA-N 404.897 6.331 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)on1 11916106 AKJAERGPRSQYPH-OCEACIFDSA-N 402.841 6.663 10 40 HKCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1 33313209 RJOYWGGREJVLSN-UYRXBGFRSA-N 405.500 5.032 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(O)c3)C2=O)cc1 408738751 NQMSDPMCSACWGO-QGOAFFKASA-N 403.865 5.526 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 409170223 UFJNMVQIFMKMES-JKIFEVAISA-N 405.679 5.837 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 1749702 QJEJTAALRYJTGQ-YBEGLDIGSA-N 410.347 5.798 10 40 HKCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(=S)N(c2ccccc2)C1=O 1750006 UMKJOXFGQIDJRG-SFQUDFHCSA-N 411.939 5.240 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S 2964313 DSIHFKDLUMTZQE-YVLHZVERSA-N 407.919 5.279 10 40 HKCB O=C(O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 4168347 OYQYAHPUBRQEQE-SLSDLSHTSA-N 413.542 6.504 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 8821566 XFQUDTUQKVZTNT-CHHVJCJISA-N 424.330 5.406 10 40 HKCB CC(=O)Nc1ccc(/N=[N+](\[O-])c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1 18066373 BRIVSOJUIFMMLK-COGCMUBNSA-N 416.441 5.945 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1Cc1ccc(F)cc1 32593977 XLPGKECILQSILO-YBFXNURJSA-N 413.470 5.626 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1 35039038 ZMDJQUYHFDGNCA-XSFVSMFZSA-N 413.564 5.452 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 100306107 YLNKNVKOWQYULK-ZHACJKMWSA-N 408.414 5.002 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222872384 SUAXAIZCKVSPDY-DHIUTWEWSA-N 404.583 5.180 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222879008 YFHNWRUXIWYWRG-ZEQRLZLVSA-N 418.610 5.488 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C 222964223 ZSTMKSZYOATOFM-GOTSBHOMSA-N 422.573 5.401 10 40 HKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccccc1 408758598 NMLQDABLUSQSHI-QGOAFFKASA-N 409.308 5.345 10 40 HKCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O1 2232751 ANHHEPRLUSFDKK-UHFFFAOYSA-N 406.887 5.330 10 40 HKCB Cn1c(/C=C2/SC(Nc3cccc(Br)c3)=NC2=O)cc2ccccc21 5374379 UVXYKYOMKMBENV-GZTJUZNOSA-N 412.312 5.023 10 40 HKCB O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)s1 12532579 AUNQGXIQHFDLHQ-UHFFFAOYSA-N 412.901 5.179 10 40 HKCB O=C(c1oc2ccccc2c1-c1cnn(-c2ccccc2)c1)N1CCc2ccccc21 12920768 WUYKKYZFDBLAJY-UHFFFAOYSA-N 405.457 5.488 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)S2)cc1 208444530 HLBKATBLTBXMNO-HMAPJEAMSA-N 417.578 5.963 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1 222917145 GOMRKTPBKPDDSO-PKTZIBPZSA-N 404.583 5.118 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1 260732907 CRLCNDBKSARKDT-LSDHHAIUSA-N 405.970 5.763 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2F)cc1 408767830 PKIFXXMSDANEKJ-XMHGGMMESA-N 400.409 5.514 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 408769656 YNTSWQQZRUYNMT-LWUPDDLQSA-N 417.578 5.565 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21 409157654 WFJUBQUSIGATNH-SNUQEOBHSA-N 401.260 5.192 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 8092255 CNVZCLZYBYIMIE-SEDUGSJDSA-N 408.712 6.260 10 40 HKCB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 19791518 SPNKBIKMBXQPTK-UHFFFAOYSA-N 403.400 5.170 10 40 HKCB biogenic COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCc1ccccc1 33333455 ZXURRZCKJFZHBV-HAVVHWLPSA-N 412.489 5.123 10 40 HKCB COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 95465445 AGPPEFJZYGRRHD-VQTJNVASSA-N 419.521 5.096 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2F)c1 408756576 WHXOQNSTRVLXNR-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(F)cc2)cc1 408760269 VRQAGCWJQPUGRK-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB Fc1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 4664573 VJKHASMPDYRGDV-XWCIJXRUSA-N 412.224 6.434 10 40 HKCB COc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1Br 8451606 XKOXGOMLRVOQFF-NTEUORMPSA-N 419.706 5.226 10 40 HKCB O=C(O)c1cc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1Cl 8834309 CRDDTRAWDMHSCU-QURGRASLSA-N 415.858 5.254 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O 27519475 CJOVWWBJTBBBSU-NBVRZTHBSA-N 418.290 5.626 10 40 HKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260735482 JAQGPVMOZJZOLG-JKSUJKDBSA-N 418.006 5.633 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)c1 408603465 QYWXNPSACYERLQ-YBFXNURJSA-N 415.605 5.849 10 40 HKCB Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 408736475 VIIRVARVXNIPTP-GUXCAODWSA-N 404.362 6.314 10 40 HKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccccc1 408766028 YSSSZCGMJKPRNC-XSFVSMFZSA-N 421.269 5.423 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)C(C(=O)OC)=C2C)cc1 408767865 GWNOIBSXEWLQSV-KQWNVCNZSA-N 413.473 5.116 10 40 HKCB Cc1cc(OCCCn2c(C(=O)O)c(C)c3cccc(Cl)c32)cc(C)c1Cl 2037873432 JOHDKPANBJSHGE-UHFFFAOYSA-N 406.309 6.041 10 40 HKCB CCOc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F 6822249 HHTFQQQHZHEBPW-BOPFTXTBSA-N 404.438 5.078 10 40 HKCB Cc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)cc1Cl 8845886 FUUMHFMXCJLIHJ-UHFFFAOYSA-N 414.933 5.545 10 40 HKCB COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O 59417990 UPMPZSULEMMYKM-OVCLIPMQSA-N 424.316 5.003 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)CC1 219044906 KUSAZGYUSVDPTL-LEWJYISDSA-N 416.565 5.721 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3F)N21 260788366 ZJMCPLRVEFZCCZ-HVETUWLQSA-N 410.562 5.190 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408764098 LFIBKYCVYVVFAM-PXLXIMEGSA-N 419.887 5.380 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([C@H](C)CC)cc3)C2=O)cc1 408983315 ASSZNOVGUAQLIM-MDVMQCDRSA-N 423.556 7.070 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC 409331446 NASUDPFEFXDJHH-WQRHYEAKSA-N 419.955 5.543 10 40 HKCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 1202148 LJYGVLOXOVJOMK-LDADJPATSA-N 422.824 5.115 10 40 HKCB Cc1ccc(NC(=O)COc2ccc(/N=N/c3ccccc3)cc2)c(Br)c1 12622217 NBNRKHFKYCHZGN-OCOZRVBESA-N 424.298 6.190 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)cc1 44086151 LURKGOPMKUYGCB-UHFFFAOYSA-N 403.507 5.231 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 408605629 YKVFCVOHNCSGMK-BOPFTXTBSA-N 423.481 5.900 10 40 HKCB CCN1C(=O)/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC1=S 408725741 HEWXPJICOUWBHI-UKAHEONWSA-N 403.916 5.682 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(Cl)cc2)cc1 408765692 ZLNTWPZYFVHTNY-RCCKNPSSSA-N 418.880 5.192 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 408983270 AESARYKZTWOVFJ-QGOAFFKASA-N 422.311 6.473 10 40 HKCB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 409349735 WARQSDZWJJNCMX-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB CCCCN(CCCC)c1cc(C)c(/N=N/c2cc(Cl)ccc2Cl)c(C)c1 5192888 HYCSHQJJZXOJQM-OCEACIFDSA-N 406.401 8.432 10 40 HKCB Cc1cc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)ncc1Br 46085522 PUJHCXXTBDOBIU-FQEVSTJZSA-N 421.298 5.003 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 59267083 DVJSXCPNEHBBTO-XNJGSVPQSA-N 404.691 5.627 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1 408737127 KIWVIKOCVIMTPA-ZPSYUOPISA-N 416.008 7.634 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)cc3F)C2=O)cc1 408984651 IYVWLEIVPVQKHV-XMHGGMMESA-N 403.428 5.835 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)ccc1Cl 409155759 MTOYBERLNBHKHU-RLFDGXBXSA-N 406.225 5.636 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 2306642 ZUIDRTDLTVYJKM-ZHZULCJRSA-N 411.885 5.006 10 40 HKCB Cc1noc(C)c1CC(=O)Nc1nc(-c2cc(C)n(-c3ccccc3)c2C)cs1 6821844 MPIWYSSBEZIWEI-UHFFFAOYSA-N 406.511 5.004 10 40 HKCB Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13616338 CZSSBUYCKMDHGH-KNQAVFIVSA-N 421.294 5.397 10 40 HKCB CCN(CC)C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 33655417 VAZDNGIVSBSREL-UHFFFAOYSA-N 410.546 6.128 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)N=C2S1 41083028 RDOKYKFZFITETM-ZUGBYVCQSA-N 419.554 5.294 10 40 HKCB Nc1ncc(/N=N\c2ccc(C(F)(F)F)cc2)c(-c2ccc(Br)cc2)n1 100425527 IQHPGLIJZYFCGK-QPLCGJKRSA-N 422.208 5.923 10 40 HKCB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(N2CCC[C@@H](C)C2)cc1 222801033 ZBNQNXBHEZNQKD-UXHICEINSA-N 408.586 5.477 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3F)N21 260788368 ZJMCPLRVEFZCCZ-XGRCMKMKSA-N 410.562 5.190 10 40 HKCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2O)N3)C1 4545440 GHNLJVKVRLUJGS-JDNHERCYSA-N 407.333 5.160 10 40 HKCB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 5947743 QGPUWXDGOJVJAC-HYARGMPZSA-N 423.472 5.165 10 40 HKCB COc1ccc2ccccc2c1/C=C1/C=C(c2ccc(Br)cc2)OC1=O 6449838 FNGWTUDYERISJD-VBKFSLOCSA-N 407.263 5.592 10 40 HKCB C/C(Nc1ccc(C)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100094890 MVMYUMHYRYIKAZ-FOWTUZBSSA-N 416.428 5.256 10 40 HKCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260805357 BLZRQRVXVDSTCG-HKBOAZHASA-N 420.597 5.446 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(O)cc2)cc1 408756363 QSFDNMBGPMCEOL-KOEQRZSOSA-N 404.469 5.688 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 409195995 YAAJDLMQTOARNJ-MOSHPQCFSA-N 408.910 5.988 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409199028 NGURHMOGMDHCRE-DEDYPNTBSA-N 408.548 5.194 10 40 HKCB Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)n1C[C@H]1COc2ccccc2O1 13038435 ZYMOUWKZPLFJNE-VNAJSCGASA-N 420.896 5.091 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C)c4)c3C)N21 222695195 SPRDVBHKQUYMIL-WUMKDDEVSA-N 416.594 5.777 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222862152 HYALREHPWQTQAM-YADHBBJMSA-N 406.599 5.096 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccccc1 408767658 ZNZBRRXZXUIDLD-UDWIEESQSA-N 411.263 5.967 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1c1ccc(Cl)cc1 409195289 TYGMUCPVGOUYLT-WOJGMQOQSA-N 402.878 5.320 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1 409196599 WOXSVBXTZJQYGX-UDWIEESQSA-N 422.531 5.105 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)cc3F)S2)c(C)c1 3349377 NUKMMTLBVGWBJC-PXNMLYILSA-N 405.292 5.287 10 40 HKCB CN1CCC(=C2c3ccc(C4CCN(C)CC4)cc3CSc3sccc32)CC1 4128368 PXBUMRNTQFETAB-UHFFFAOYSA-N 410.652 5.691 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1 7995046 ZPWICQYHBDZVIL-KRWDZBQOSA-N 407.510 5.591 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1C 83295103 NORBSKBSIBUWES-BUVRLJJBSA-N 420.468 6.117 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl 222855167 BUACPAFHNVOKHA-RTBURBONSA-N 414.977 5.529 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 260762871 HTXFWUGBBGBVHO-YSZBQJHXSA-N 420.557 5.608 10 40 HKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)o1 408743240 RRMWCLQAQWFZFE-XNTDXEJSSA-N 407.809 5.798 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N1 408831744 WPRNXURJUVVPKO-KCYKTTMJSA-N 411.888 5.942 10 40 HKCB CC(C)Nc1cc(Oc2ccc(Cl)cc2)c2noc3c2c1C(=O)c1ccccc1-3 5482950 NLFSZXWNWCBGIY-UHFFFAOYSA-N 404.853 6.305 10 40 HKCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 58850524 YLTSOTUQNGEOHW-UHFFFAOYSA-N 418.518 5.687 10 40 HKCB C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 225669592 SBEJAULOLGUWCS-CVEARBPZSA-N 421.532 5.989 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C 408903123 UTTZIACTBLATKP-LPYMAVHISA-N 414.465 5.117 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 409174512 MYYGPQWNURWQIX-GRDNDAEWSA-N 423.123 6.177 10 40 HKCB COc1ccc(-n2cnc3cc(NCc4ccc(Br)cc4)ccc32)cc1 860979 JFIVTZMAXDALFV-UHFFFAOYSA-N 408.299 5.409 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)cc1 1104840 ATXFCCUFSVOWLI-ZHZULCJRSA-N 407.516 5.751 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc4ccccc4c3)n2n1 1396018 KNMDDKVNVWVRKB-UHFFFAOYSA-N 420.541 6.686 10 40 HKCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccc(Oc2ccccc2)cc1 3024682 YLNSVOUMIGVBAO-RCCKNPSSSA-N 418.543 5.750 10 40 HKCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5376052 OMLFXKSQAVCYBN-MNDPQUGUSA-N 419.612 5.490 10 40 HKCB Cc1nn(-c2ccccc2)c(Cl)c1/N=N/c1c(C)nn(-c2ccccc2)c1Cl 100150350 VGSUNZCKJGGZIZ-WCWDXBQESA-N 411.296 6.397 10 40 HKCB FC(F)(F)c1cccc(/N=N\c2cnc(-c3ccncc3)nc2-c2ccccc2)c1 100407607 FHIPJHPBSKOXJH-FLWNBWAVSA-N 405.383 6.640 10 40 HKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 408737075 HOTRJSNVCSOSSB-VWKPWSFCSA-N 400.316 5.683 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408983356 BGELNIZJTDCGEE-CAPFRKAQSA-N 412.445 5.465 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C 1144136 VALDTVAMDXZMLG-KGENOOAVSA-N 403.913 5.862 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1C1CC1 36613109 OWNCBMANUFNHER-WOJGMQOQSA-N 401.940 5.283 10 40 HKCB CC(=O)Nc1ccc(/N=N\c2ccc(/[N+]([O-])=N/c3ccc(NC(C)=O)cc3)cc2)cc1 100368346 BRIVSOJUIFMMLK-FNBANUKLSA-N 416.441 5.945 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 408762345 OGAHYKNMWOLVHM-HKWRFOASSA-N 401.893 6.128 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 409219420 QIRKRHRZCFVYNL-VCHYOVAHSA-N 402.878 5.320 10 40 HKCB Cc1ccc(Nc2c(-c3ccc(Br)o3)nc3ccc(Cl)cn23)cc1 4735043 IQKMFWHBMMDJDH-UHFFFAOYSA-N 402.679 6.062 10 40 HKCB CCN(CC)Cc1cc(Nc2c3ccccc3nc3c(OC)cccc23)ccc1O 4830962 JCCXAKAPPHNLOS-UHFFFAOYSA-N 401.510 5.688 10 40 HKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 34847642 LCDXQIZGDCWXSD-WQRHYEAKSA-N 424.865 5.381 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 41083393 GLSJVLWAAXTOEK-YIFJCWOOSA-N 419.554 5.130 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3OCC)SC2=S)cc1 59535586 GXPKACBGQQBVOA-LDADJPATSA-N 419.955 5.543 10 40 HKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 59961074 RPHZKIXVHCXGGJ-GLDPYIMESA-N 420.509 5.453 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222688400 BLDKGCBTQNKUMA-ZQMYSKGWSA-N 424.614 5.306 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222917344 XXJMYLKUHLRPLO-DNQXCXABSA-N 418.610 5.426 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc4c3CCCC4)cc2)C1 225607370 OZYWRWLXMDCDHW-WOJBJXKFSA-N 406.570 5.058 10 40 HKCB Cc1ccc(C2=C/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)cc1 409050950 FFGAPLHWZBEPEY-JJIBRWJFSA-N 418.492 6.709 10 40 HKCB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc(O)c(O)c1 15225442 MVEQVHMCOXYWCT-KWXIBIRDSA-N 407.598 6.021 10 40 HKCB CC(C)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1 32109406 JKCPEQIRJUXCGR-JGJJTGRPSA-N 416.865 5.014 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Cl)cc2)cc1 408760139 SGHPCUJPVYXKMZ-CJLVFECKSA-N 402.881 5.573 10 40 HKCB Cc1ccc(C(=O)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 408978098 YCGWACQTYLLJSM-UHFFFAOYSA-N 414.464 6.617 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O 1246298 SMUWEUHTBOGSTD-UDWIEESQSA-N 407.516 5.350 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 3442538 FDNAQSMHARESLM-UHFFFAOYSA-N 421.496 5.705 10 40 HKCB O=C1/C(=C/c2ccc(SCc3ccco3)o2)SC(=S)N1Cc1ccccc1 5025787 FGUSWSSGQUCBEP-BOPFTXTBSA-N 413.545 5.566 10 40 HKCB Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 8819657 GYAKGUFZPVHACU-SILNSSARSA-N 424.591 5.395 10 40 HKCB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)o1 9285543 JQQMZNBMEUKAJE-UHFFFAOYSA-N 421.497 5.567 10 40 HKCB O=C1c2ccccc2-c2ccc(N=[N+]([O-])c3ccc4c(c3)C(=O)c3ccccc3-4)cc21 104180939 JSNDZHZWPXDSIA-UHFFFAOYSA-N 402.409 6.035 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2C)cc1 208657230 PUMTWKIHEPACSX-STZFKDTASA-N 404.560 5.808 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222970441 KHILJFMITDYXFA-QPPBQGQZSA-N 408.586 5.575 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc4c3CCCC4)cc2)CC1 224109740 LJENCWGTVONQRJ-FQEVSTJZSA-N 406.570 5.058 10 40 HKCB COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3nc(Cl)oc3c2)c1C 225985684 YKSXGCYLVZACTC-UHFFFAOYSA-N 423.900 5.170 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3OC)N21 260752823 ACAKXUSJSLHDFD-ZQMYSKGWSA-N 422.598 5.060 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Cl)c1 408756977 YSWQGPLPGNLOLH-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)nc1 409188624 IEIPBNBQGOCNMI-YBFXNURJSA-N 423.925 5.692 10 40 HKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409346608 NTNPLDJYCAYPMT-HYARGMPZSA-N 419.571 6.280 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1 5551968 QVUGEFMGYYTFOZ-WNPPYXCZSA-N 413.995 6.558 10 40 HKCB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(C)n(-c2ccccc2F)c1C 65599024 JEXLYJASCZKZHY-UHFFFAOYSA-N 416.456 5.376 10 40 HKCB COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC(C)C 97990662 FYVQUMOSDWNYQA-WOJGMQOQSA-N 416.930 5.527 10 40 HKCB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)S1 208193030 JDJMYSVJQBIVPP-RDPIHGLISA-N 405.567 5.799 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222833989 BBXSNYFSEBVAMM-DNQXCXABSA-N 418.610 5.487 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCC2)cc1 225694079 DLHOLFQSTAIEDW-CQSZACIVSA-N 404.377 5.097 10 40 HKCB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3cc(Cl)c(Cl)cc3Cl)c2n1 3849094 RRDSKWJIILVGCJ-WCWDXBQESA-N 423.613 6.014 10 40 HKCB COc1ccccc1/C=C1\SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O 13804101 ZSQXLHDFMIDYJU-NVNXTCNLSA-N 412.820 5.450 10 40 HKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1 112287395 ZPFGBPRVILDLOG-KQWNVCNZSA-N 412.449 5.370 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)cc3C)N21 260771946 MBESXRNGGBTBMQ-YSZBQJHXSA-N 406.599 5.360 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c1 409328565 XSBPQQURSDBQHI-NVNXTCNLSA-N 422.940 5.376 10 40 HKCB Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)cc(Cl)c2cccnc12 1463080 LCXWGFRYORTCIN-IBGZPJMESA-N 423.727 5.322 10 40 HKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc(Cl)c1 2121513 CJTDRRCYTZNPER-QPEQYQDCSA-N 400.739 6.053 10 40 HKCB CC(C)c1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc1 2277939 DRZHDCZQBDQARN-LICLKQGHSA-N 402.372 5.336 10 40 HKCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 5477903 PQUVDUWKXKGPBM-MLPAPPSSSA-N 400.834 5.160 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1Cl 15305917 REKKZSRVXIAXCM-CHHVJCJISA-N 414.766 6.048 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)cc1 59229919 WKORJCXAQGQWFC-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 59435724 CMIHQYYHJPOBKB-ZROIWOOFSA-N 422.695 5.524 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1 144219527 VADDZCCRBQSZIK-HMAPJEAMSA-N 402.519 5.952 10 40 HKCB O=C(Nc1cccc(N=Nc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 245241077 WZUYESRIGAZGNI-UHFFFAOYSA-N 420.472 6.607 10 40 HKCB CCOc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(OCC)cc2)C4)cc1 408822024 CRVBODGKRZAMDA-UHFFFAOYSA-N 400.522 5.524 10 40 HKCB CN(C)c1ccc(/C(=C(\c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1 1696499 SEHHQLKIKCAWFC-QVIHXGFCSA-N 418.584 6.826 10 40 HKCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 15945408 HTRALBVLQRXMGO-DYZYQPBXSA-N 421.360 5.468 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)S2)cc1C 208191284 METUFMLOXZTOSC-RIWZNOJBSA-N 419.594 6.108 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)CC1 218676834 DDKSXAAGKGZHMH-ZWKOTPCHSA-N 400.950 5.221 10 40 HKCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225795705 YKTMVEUOVRLQAA-UHFFFAOYSA-N 421.635 5.710 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1 408752625 FOIGXUJWYVRGRP-KGENOOAVSA-N 407.300 6.136 10 40 HKCB Cc1ccc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)c(C)c1 5039575 FSNGFZNBGPICTP-OCEACIFDSA-N 403.438 5.220 10 40 HKCB Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 8819659 SINURXZOTUUIJM-SILNSSARSA-N 424.591 5.395 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 9305531 KCROZWIHMZKPHI-AUWJEWJLSA-N 410.303 5.097 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222827850 MEVALEWKRXZKSP-DNQXCXABSA-N 418.610 5.432 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc2ncccc2c1 408983264 ACEXBWNAUBMAJA-RCCKNPSSSA-N 408.888 6.360 10 40 HKCB Cc1cc(O)c(-c2c(O)ccc3ccccc23)cc1NS(=O)(=O)c1cccs1 4914203 KQLBGHNARITXTJ-UHFFFAOYSA-N 411.504 5.089 10 40 HKCB O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 14551171 CIBZGPSMXNRKIV-YZUZCNPQSA-N 402.519 5.314 10 40 HKCB COc1cc(C2SCCS2)cc(CN(C)Cc2c(F)cccc2Cl)c1O 15497250 ZMHFEWGKEMJUDV-UHFFFAOYSA-N 413.967 5.304 10 40 HKCB COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC(C)C 97990630 HXIILHNXXXMJQB-CIAFOILYSA-N 410.539 5.429 10 40 HKCB Cc1c(N2CCCC2)ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1Cl 222639084 SYRAEMHIQHAUTQ-SZFUDVHCSA-N 412.990 5.233 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)cc1 409007731 QZRKAPHMKMTCQO-KQWNVCNZSA-N 416.546 5.682 10 40 HKCB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc4ccccc34)cc1)C2=O 990694 DXNOOJSHOKKVRX-UHFFFAOYSA-N 409.397 5.131 10 40 HKCB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 1188303 ANFSYKRDBOMSHE-AUWJEWJLSA-N 411.291 5.307 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c(OC)c1 5551996 FXFBILRCWBUFIY-NDENLUEZSA-N 407.516 5.263 10 40 HKCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccccc2Cl)o1 8821802 AXZYXVJVBBHGMZ-WOJGMQOQSA-N 424.865 5.381 10 40 HKCB O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 12273954 CIEINYONZLXQMN-NQDFZQDQSA-N 415.845 5.914 10 40 HKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(-c2ccsc2)n1 12523525 GAAISQZHDUCLED-UHFFFAOYSA-N 411.596 5.063 10 40 HKCB Cc1cc(CN(C(=O)c2ccc3nc(Cl)oc3c2)C(C)C)c(C)n1-c1ccccc1 225982545 PNNMAUJJAWFAPC-UHFFFAOYSA-N 421.928 5.940 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226747740 NAHWCBGHNHDIFX-VBHSOAQHSA-N 405.679 5.837 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409161165 WZTOXFNPYVPJTK-FMTVUPSXSA-N 419.264 5.515 10 40 HKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 409184078 DZDBGCFURGRUEU-QSEAXJEQSA-N 405.497 6.826 10 40 HKCB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c2ccccc21 409197461 FZKVZPPPPRVHAQ-PXLXIMEGSA-N 412.920 6.250 10 40 HKCB Cc1ccccc1OC(=O)c1sc2nc(-c3ccco3)cc(C(F)(F)F)c2c1N 1471621 HPGJMBZIIFLBJU-UHFFFAOYSA-N 418.396 5.685 10 40 HKCB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 7778331 IEMPIYSRIWACHC-WEVVVXLNSA-N 410.455 5.273 10 40 HKCB FC(F)(F)c1n[nH]c(-c2ccc(-n3cccc3)cc2)c1C12CC3CC(CC(C3)C1)C2 36620406 FEQXSAMXQYOSQA-UHFFFAOYSA-N 411.471 6.354 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C 208227428 NXDWRWXTFVNOGZ-JHDSZEHQSA-N 406.551 5.958 10 40 HKCB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 222931444 XOMCHCYQHAIAGO-DEOSSOPVSA-N 408.586 5.448 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 223109319 BQPNIUMGQFJIMH-NHCUHLMSSA-N 408.586 5.753 10 40 HKCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 408738138 QBXJFKVDMZGLRH-CAPFRKAQSA-N 401.893 6.210 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc(C)c2)c2ccccc12 409003188 YLNURDRBVVONCG-PCLIKHOPSA-N 405.501 5.804 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c4ccccc34)SC2=S)cc1 409349225 UYIPZCVSQXERAH-KGENOOAVSA-N 421.543 5.653 10 40 HKCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c(OC)c1 5551090 PDTDIPSHNFWLAP-APSNUPSMSA-N 409.294 5.093 10 40 HKCB C/C(Nc1cccc2ccccc12)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17092677 LZEWQMNDWAILEJ-BWAHOGKJSA-N 421.475 6.116 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 100148029 DUSUHJSRWGSFGD-LDADJPATSA-N 407.813 5.314 10 40 HKCB Cc1c(/N=N\c2ccc(Br)cc2)c(-c2ccccc2)nn1C(N)=S 104223340 KCRHOLITEGEVND-MRCUWXFGSA-N 400.305 5.128 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222964075 WLEMCBRRGXANDF-XZOQPEGZSA-N 422.573 5.401 10 40 HKCB Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 226702565 ZRNHDBLFWGXEPB-NMMYMHLASA-N 422.355 7.399 10 40 HKCB O=C1NC(=S)S/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 1181098 WAVRUJRRVRIHJU-IUXPMGMMSA-N 419.358 5.485 10 40 HKCB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1cccc2ccccc12 1415975 ZSIZYNPBTIBLMU-FYJGNVAPSA-N 421.543 5.306 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 3764460 ZWYCBNKVEHZDHK-WQRHYEAKSA-N 415.898 6.145 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1 8873458 LKBATXHISAHLAK-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 9232307 ATKBNSXCEOASEW-VGOFMYFVSA-N 418.729 6.192 10 40 HKCB CCCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N 12250015 NHAKCVYWRZNNIL-UHFFFAOYSA-N 402.519 6.088 10 40 HKCB Cc1cccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1 13898013 CJGDFVIUCCYYHA-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)c2C)cc1 17249704 CDCCCLRBBMZLPE-STZFKDTASA-N 415.518 5.074 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 224170251 VASJVZNXTWZASI-VQTJNVASSA-N 406.570 5.200 10 40 HKCB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O 408902378 NHKRRPQHQHJIJV-PZBNQXIHSA-N 419.571 6.423 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3O)C2=O)cc1 6388011 GIFJKBBLIJQFGA-XMHGGMMESA-N 417.892 5.916 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 59425967 NRGGLDRUYTZPCZ-VBKFSLOCSA-N 423.262 5.699 10 40 HKCB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 118925606 BYSWDNBNMZHMHK-XPFWUWIUSA-N 400.647 6.856 10 40 HKCB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 225378093 KBKHQTNOONUUFY-SJORKVTESA-N 419.396 6.040 10 40 HKCB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC1=S 409125122 CCSZCVQVSOBZOR-QNGOZBTKSA-N 422.575 5.332 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1 409349815 WGGTXYRPVDUKET-OVCLIPMQSA-N 424.772 5.817 10 40 HKCB Cc1cc(N[C@@H](c2cccc(Br)c2)c2ccc3cccnc3c2O)no1 1463260 BECYYTNLACTYRC-SFHVURJKSA-N 410.271 5.201 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(F)F 7166048 PRMRPUHEPNMBSU-WJDWOHSUSA-N 407.463 5.093 10 40 HKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl 112125921 UUKSAJFIWHEWQP-YVLHZVERSA-N 405.241 5.010 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(F)c1 222919242 XYQVRPJHLCWKGU-PKTZIBPZSA-N 422.573 5.257 10 40 HKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 225101459 DMVZNNZXWVWPKE-RUZDIDTESA-N 406.570 5.030 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 408903461 YFGMGIMKJJVANX-UDWIEESQSA-N 424.331 6.207 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)NC1=S 409125442 AJZCIKAIYHILAK-JCMHNJIXSA-N 407.583 5.219 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1 5371351 NKIDEAUHOSPGTG-MOSHPQCFSA-N 413.564 5.452 10 40 HKCB COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)c1OC 12628243 BOKUEZDPRWVPMX-SNUQEOBHSA-N 404.279 5.432 10 40 HKCB aggregator CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 13639448 WZXLIOXLIPNFBD-LQWHRVPQSA-N 411.343 5.415 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 18255897 WFXJMXWPLKDRBT-CYYJNZCTSA-N 419.937 7.839 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1 409339537 JWCUTLOYHCRYQK-LFIBNONCSA-N 409.454 5.510 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 4078787 ODYFAHMKVUNYEA-WCWDXBQESA-N 402.435 6.477 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2cccnc2)sc2c1CC[C@@H](C)C2 4116301 HBVUOGIXHMAPSL-OAHLLOKOSA-N 407.539 5.141 10 40 HKCB CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4631189 YQLIOAJWLJSBJJ-XUZZJYLKSA-N 403.551 5.837 10 40 HKCB CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 5174073 JGOQWXZINHJDBG-HEHNFIMWSA-N 413.948 7.109 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 6963534 PZLDAQINPUZQOK-UZINWLIJSA-N 401.550 7.253 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 7096014 QETBCIRRLMCIDF-SLSDLSHTSA-N 414.530 6.714 10 40 HKCB CSCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S 7779110 UFCPKCNTNMLCLI-XMHGGMMESA-N 415.605 5.220 10 40 HKCB O=C1/C(=C/c2cc(Cc3ccccc3)ccc2O)SC(=S)N1Cc1ccccc1 35062938 MFWVQFFHEKEQSO-JCMHNJIXSA-N 417.555 5.384 10 40 HKCB Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)c2c1 41083596 BMIGRDZGFMQMRY-XSHSNWJLSA-N 416.481 5.228 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc2ccccc12 408892285 HVIPFHYUHLJVFZ-JCMHNJIXSA-N 417.892 5.761 10 40 HKCB CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408901489 FXXSPOIHKOXKTH-XNTDXEJSSA-N 410.347 5.798 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC 408901810 HGXYNUZYDYVMNH-SFQUDFHCSA-N 419.955 5.543 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)cc1 409327123 IFUMWZYDAXZVIW-MOSHPQCFSA-N 408.548 5.291 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1C 4106915 OUOVPUAGADKNTB-HYARGMPZSA-N 418.587 6.117 10 40 HKCB Cc1c(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc2n1Cc1ccccc1 5477575 UIGOFVOJANIDSN-WUKNDPDISA-N 405.501 5.415 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 6969854 NAHWCBGHNHDIFX-LXIYXOSZSA-N 405.679 5.837 10 40 HKCB O=C1c2cccc(Sc3ccccc3)c2C(=O)c2cccc(Sc3ccccc3)c21 8453449 JGDLEVAYNWLIKN-UHFFFAOYSA-N 424.546 6.764 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2Nc3c(I)cccc3[C@H]3C=CC[C@H]32)cc1 13615558 CYIWVPWUCPMPAJ-JJRVBVJISA-N 418.234 5.026 10 40 HKCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 15945406 HTRALBVLQRXMGO-BMLIUANNSA-N 421.360 5.468 10 40 HKCB CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)cc1 16957412 QIURFMPQSWEFHB-HYARGMPZSA-N 416.912 5.210 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C 208229147 PYQROZOLABDHKP-VYZAVGSRSA-N 420.578 5.954 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)C1 260453326 JQYKLVYBSCLDQJ-OALUTQOASA-N 412.533 6.313 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 409154259 OEGUCIMKOUDTTM-GLJUWKHASA-N 407.819 5.972 10 40 HKCB CN(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3s2)cc1 722660 IHBMNQVQOPCIBG-UHFFFAOYSA-N 413.502 6.028 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C)c3C)N21 222694742 IPUJLXDQHDXNGI-VEXUSMLFSA-N 416.594 5.777 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N1 408868385 PZCSZMXNNRJMHV-JPMUSVJPSA-N 411.888 5.942 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4539469 HWTRKWRLQBDHNK-SXWKCWPCSA-N 403.884 6.537 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 4721983 NRDYEOBJMGFFQC-FMTVUPSXSA-N 407.819 5.972 10 40 HKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S 6353581 UUFVKGYRGYAVSV-YBFXNURJSA-N 412.967 5.564 10 40 HKCB Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)n1CCC(C)C 6862136 PWZZBFJPVCZNGF-UHFFFAOYSA-N 420.553 5.598 10 40 HKCB CN(C)c1ccc(/C=C/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 113834904 YZEXLVBSSRKSNQ-ONCSWLTESA-N 400.956 5.368 10 40 HKCB CCN(CCCNC(=S)Nc1ccc(Br)c(C)c1)c1ccc(C)cc1 225733569 IWBIIOSLVLLLRM-UHFFFAOYSA-N 420.420 5.269 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1OC 845821 CIHLXFLGWWGIDV-XMHGGMMESA-N 400.430 5.477 10 40 HKCB CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1 16949261 DGFQRUIRRJKNDJ-HKWRFOASSA-N 423.563 5.410 10 40 HKCB Cc1csc(-c2cc3ccc(O)c(CN4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c3oc2=O)n1 100723124 CXKGWHPDVPYYKH-UPCLLVRISA-N 424.566 5.331 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2C(C)=CC1(C)C 208503962 QPXVQJSYYDGILW-HMAPJEAMSA-N 417.578 6.099 10 40 HKCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(Br)c(Cl)c1 409340096 QIKVTDFZTGZZRY-RIYZIHGNSA-N 410.745 5.508 10 40 HKCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 4593592 QLCQBCXYUBJIQD-SZQWGPSGSA-N 418.522 5.102 10 40 HKCB CC(C)(C)c1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc(C(C)(C)C)c1O 9188865 JEJXUMRVBOJZNY-CYVLTUHYSA-N 414.615 5.834 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 58865618 UTAVHGUNXBVZNZ-UHFFFAOYSA-N 412.869 5.063 10 40 HKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1c(C)cc(C)cc1C 100524763 KDZVRELIPGFOLP-NZXNHFJFSA-N 403.511 5.610 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208461334 KAFUNTKNCIOSPH-BKUYFWCQSA-N 420.603 6.033 10 40 HKCB Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)cc1 223953894 BDLRLWYXFJPZKQ-UHFFFAOYSA-N 417.582 5.220 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)C1 260735197 FXZKYCKXLHQPQO-JKSUJKDBSA-N 421.532 5.989 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2)cc1 3168214 ISBMDZHMLVBMSG-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)c(OCC)c1 4690506 HWSOIIXIFWIWKB-UNOMPAQXSA-N 413.564 5.507 10 40 HKCB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1 6941119 HMZYONFZFLMRBQ-UHFFFAOYSA-N 413.521 6.156 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 9805692 DEADXKUXPPWZRI-LBTNJELSSA-N 418.718 5.716 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc2ccccc12 27519432 MCDYQSYLKQNAAC-OQKWZONESA-N 418.452 6.219 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S 208727720 MTVUMFGLRAFBRM-PXNMLYILSA-N 411.379 5.622 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCC(C)CC1 1340072 XJHCIUPMGYKLDR-UHFFFAOYSA-N 405.995 5.210 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1 1746135 KAZFAZZWDRLNSG-AUWJEWJLSA-N 400.739 6.053 10 40 HKCB CC(C)c1cc(Cc2cc(C(C)C)c(N(C)C)c(C(C)C)c2)cc(C(C)C)c1N(C)C 2557044 ZLLKEHZDBYULNW-UHFFFAOYSA-N 422.701 7.903 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 14010488 FJRYJIGOLGWOAT-STZFKDTASA-N 409.913 5.731 10 40 HKCB COc1cc(C)ccc1/C=C1\C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C 16291078 QIRZNORPPSLGLL-AUWJEWJLSA-N 409.700 5.770 10 40 HKCB CCOc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144217911 ZWBXVDKXJNFDAF-JCMHNJIXSA-N 418.518 5.734 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219330539 SWGGILNKBUXHBY-BWKNWUBXSA-N 408.586 5.575 10 40 HKCB Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)c1 223953831 DDWXGDZIHZADRS-UHFFFAOYSA-N 417.582 5.220 10 40 HKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408764880 UARQJPCOJMBYOF-YBFXNURJSA-N 420.827 5.042 10 40 HKCB O=C(O)c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 4168350 OYQYAHPUBRQEQE-RQTOMXEWSA-N 413.542 6.504 10 40 HKCB CCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(C(C)=O)cc3)cc2)cc1 5003631 RXHUFQGMVXIRNU-CYYJNZCTSA-N 416.477 6.703 10 40 HKCB CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 5025463 SCVIWQUASSJENJ-HRGNJQJKSA-N 419.554 5.150 10 40 HKCB Cn1c(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc2ccccc21 5374369 XOOCESDEHKDLDB-GZTJUZNOSA-N 412.312 5.023 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 5516583 YANTUGXYKYQUBK-WEHZRUJJSA-N 419.554 5.130 10 40 HKCB Cc1nc2ccc(Cl)cn2c1C(=O)/N=N/Cc1ccccc1OCc1ccccc1 6025135 UGUGKGJQIBIOMF-IMVLJIQESA-N 418.884 5.668 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 7092806 JGTGNIASKOASRP-XWCIJXRUSA-N 405.133 6.038 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 59435723 YSFZTFJGUUCOAO-YBEGLDIGSA-N 402.277 5.179 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 102072932 SRKNHXLBHAHSOC-RVKKMQEKSA-N 410.233 6.174 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)CC2)cc1 219864786 NQXGLBANFGZTMA-FGZHOGPDSA-N 419.613 5.325 10 40 HKCB O=[N+](Nc1ccccc1)c1ccc(/N=N\c2ccc([N+](=O)Nc3ccccc3)cc2)cc1 368119779 KPYWMXXWGQFHDB-QPLCGJKRSA-N 424.464 6.977 10 40 HKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1c(C)nn(-c2ccccc2)c1C 408758047 USIJATFKTMKMJV-KQWNVCNZSA-N 421.504 5.361 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 408760911 AYMQMPFYUHJQJE-HKOYGPOVSA-N 412.489 5.319 10 40 HKCB COc1cc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 4975152 VSSFMNHIUGMXMU-IQUTYRLHSA-N 406.309 5.846 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 5552033 XTPWISYJAAWEEY-PDGQHHTCSA-N 405.947 6.228 10 40 HKCB COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)ccc1O 10215517 KDGKSELMQKKXOX-LAUBAEHRSA-N 412.898 5.358 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 27062663 LOAFBHNMJPEINV-ATVHPVEESA-N 406.825 5.104 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc2ccccc12 59959264 DMLZVCOCYQFYKN-JLPGSUDCSA-N 411.501 5.840 10 40 HKCB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)CC(C)(C)CC1=N2 102725711 YEMRMIQTWSCFHZ-JOCHJYFZSA-N 415.493 5.442 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3OC)N21 222678938 ACAKXUSJSLHDFD-MQNAVGNWSA-N 422.598 5.060 10 40 HKCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC 409085971 PKKBLUYATDVBHQ-XLNRJJMWSA-N 412.489 5.319 10 40 HKCB COc1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1 2621648 TZKOVSFOMCKHCS-UHFFFAOYSA-N 408.523 5.036 10 40 HKCB N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC=CN12 5025819 VAWTUJWOEKDPMO-PALNNIJKSA-N 403.488 5.361 10 40 HKCB CCc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 6943523 JVZNDOIMJDHZHN-QKLQHJQFSA-N 401.291 5.680 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 7261899 YFADZGAIGMXWSJ-XMHGGMMESA-N 405.585 5.408 10 40 HKCB CC[n+]1c(C=C2C=C(C)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C(C)=C2)sc2ccccc21 102137146 AEHMMKYBVOKIJU-VAPSRWTKSA-N 405.631 6.540 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1 225669265 CRLCNDBKSARKDT-HUUCEWRRSA-N 405.970 5.763 10 40 HKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCC1 226782291 MTWZOMYMUFGQCP-XQBPLPMBSA-N 423.354 5.512 10 40 HKCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1cccc(Br)c1 408752946 DNKLHAJGMQFKOC-QGOAFFKASA-N 409.308 5.345 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 408772904 IYCAQKWGPKBQFG-IGSWSUAKSA-N 421.541 5.395 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1 5201161 NYRRPORIECKVAW-QGOAFFKASA-N 409.557 6.145 10 40 HKCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 59417982 DSEMANJPWRIFBC-UNOMPAQXSA-N 422.487 5.162 10 40 HKCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 225778001 QVZGUXVRWMRIIO-UHFFFAOYSA-N 420.940 5.449 10 40 HKCB COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 4959598 JOKJMQHCVVMSMH-KQHSUYLTSA-N 400.272 5.013 10 40 HKCB CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCCCC3)c12 5182516 PXNPJBVXNSWKLZ-UHFFFAOYSA-N 420.553 5.810 10 40 HKCB CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)c1OC 5737130 VSZDXAQTZNLUPR-QHCPKHFHSA-N 415.493 5.253 10 40 HKCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 54164377 FNMOLYVRGHHWKC-CHHVJCJISA-N 407.278 5.082 10 40 HKCB C[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217953129 IPJAAONCUVKVIL-GVXRIWOLSA-N 404.598 6.111 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc(C)c1Cl 260453243 GUFCOJXGSGRXDE-QFBILLFUSA-N 414.977 5.449 10 40 HKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 101122310 DTSQMIUEPYPFLS-SFQUDFHCSA-N 418.909 5.821 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C(=N)N12 103563485 PVDWRNZWQXGLSZ-ALRRYEELSA-N 423.925 5.394 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222612991 AKWSWGCQEMHNIM-YRUKQIKQSA-N 416.594 5.641 10 40 HKCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccccc23)c2ccccc21 409199055 NMLWBWGEBJENLU-XIEYBQDHSA-N 422.528 5.936 10 40 HKCB CCCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409208379 FOXFXCYIKZLZHO-UYRXBGFRSA-N 413.499 5.229 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 4728027 UPZQBMUNPBQUAC-GDZNZVCISA-N 404.691 5.627 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 30708091 MNADJZHNLORSKN-JEGSZOCCSA-N 412.902 5.328 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F 58822004 WHPRCMWOVAPSGB-KGENOOAVSA-N 420.871 5.864 10 40 HKCB Cc1ccc2c(c1)c(/N=N/c1ccc(Cl)cc1)cn2S(=O)(=O)c1ccccc1 4844127 FMKBYVNEDMUDGT-WCWDXBQESA-N 409.898 6.256 10 40 HKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 7096003 SAEJRPUSFSFSHE-SLSDLSHTSA-N 403.978 7.459 10 40 HKCB COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)N=C3C)o2)c1 100278515 SVROOWWOHYYWAF-DEDYPNTBSA-N 420.852 5.193 10 40 HKCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 101141828 YDKNLOQJRABUAE-OQLLNIDSSA-N 419.268 5.237 10 40 HKCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)n1-c1ccccc1 223404858 SFWBVTRTGDANCK-DQEYMECFSA-N 424.573 5.353 10 40 HKCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408756478 VOPHZQWTORSJTI-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(F)(F)F)=NN1c1ccccc1 408970947 BIVMSWVUNJJNRE-QNGOZBTKSA-N 422.406 5.614 10 40 HKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 408971722 PQPQZKLKXJCWSO-JCMHNJIXSA-N 416.402 6.342 10 40 HKCB CC(=O)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4786036 FLVINGVDMBUNPL-AOYPEHQESA-N 422.613 5.480 10 40 HKCB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 27229061 SJQDWIZSAGBHJK-AUWJEWJLSA-N 417.836 5.904 10 40 HKCB COc1ccc([C@@H]2N=C(c3ccccc3)C[C@H](c3cc(Cl)ccc3O)N2)cc1OC 57509318 KXYJXPGCVWVSOA-HYBUGGRVSA-N 422.912 5.285 10 40 HKCB Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 59425874 LSGZTDRKDPGBOP-ATVHPVEESA-N 407.263 5.999 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C 222873376 RZNYXVNBKXQLRE-FCHUYYIVSA-N 408.546 5.011 10 40 HKCB COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1 226908353 DQIQIGZJMPAPNB-GJYPPUQNSA-N 403.263 5.126 10 40 HKCB COc1ccc(N2C(=N)S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 408846445 SKPKMKMLZQJOTG-NZBFAAGASA-N 421.497 5.298 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 409158853 LWOWFXJOFQMROI-QEEYODRMSA-N 415.287 5.501 10 40 HKCB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 222931388 XOMCHCYQHAIAGO-XMMPIXPASA-N 408.586 5.448 10 40 HKCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 5174082 UEJZNXCLUWIGAF-CPNJWEJPSA-N 401.849 5.510 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(N3CCN(c4ccccc4)CC3)c2c1 6822514 XUDLJZOTKFAMSQ-UHFFFAOYSA-N 403.913 5.377 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 14862345 BTHRRDAKWVVXRI-OCOZRVBESA-N 415.421 5.351 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)cc1 35039438 CBDHMDWGTDVMNZ-FYJGNVAPSA-N 421.543 5.568 10 40 HKCB CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)cc1 103089727 ALZPOUVKNKMCJR-QNGOZBTKSA-N 420.513 5.075 10 40 HKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCC1 250249284 MTWZOMYMUFGQCP-DXIQSLLYSA-N 423.354 5.512 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)C1 260455506 ZLBJQJCNCBJTLR-SFTDATJTSA-N 406.614 6.030 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 4309891 VUQBUKWYEPSWLI-IQUTYRLHSA-N 415.287 5.583 10 40 HKCB Nc1c(C(=O)OCc2ccccc2)sc2nc(C34CC5CC(CC(C5)C3)C4)ccc12 4718515 GUGKBPBMSLBLGZ-UHFFFAOYSA-N 418.562 5.703 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2ccc(N(C)C)cc2)sc2c1CCC2 5043972 PRHCGHXVFKDMKM-UHFFFAOYSA-N 421.566 5.176 10 40 HKCB Cc1ccc(COc2cccc(/C=C3\SC(N4CCC(C)CC4)=NC3=O)c2)cc1 9188870 XZSNWOUAXVBGNO-JCMHNJIXSA-N 406.551 5.276 10 40 HKCB COc1cc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)c(OC)cc1Cl 25465680 FJPAQRJURCEYLY-UHFFFAOYSA-N 402.853 5.156 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225833279 DJIDFRYDNNXKAI-FGZHOGPDSA-N 422.613 5.999 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1 409332844 SBMRJDCZZVKABL-NDENLUEZSA-N 407.516 5.263 10 40 HKCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 409347666 MLKRWECACPNHDX-ZSOIEALJSA-N 411.291 5.307 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 5738351 MZPRADALSUCTGP-RVKKMQEKSA-N 401.260 5.192 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1C 260784111 UXNGAPJDRYFUTG-GAZXMLTASA-N 416.594 5.695 10 40 HKCB CC(C)n1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 409334823 WJKUOIMCLPUNCR-AWQFTUOYSA-N 422.531 5.357 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5478297 XFGYWZZFLOUEQF-SFLYRZDNSA-N 412.599 5.103 10 40 HKCB CC(C)Oc1ccc([C@@H](CCNCc2ccc(N(C)C)cc2)C2CCCCC2)cc1 6804506 GHXNICVVGOOXJD-MHZLTWQESA-N 408.630 6.384 10 40 HKCB O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(Cl)cc1 9188512 NVBOXAIKGJHWOO-ZROIWOOFSA-N 410.745 5.508 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216013 VPQWFAYSCJGCNW-AUSIDOKSSA-N 421.884 5.082 10 40 HKCB Cc1c(/N=N/c2ccc(Br)cc2)c(-c2ccccc2)nn1C(N)=S 17129908 KCRHOLITEGEVND-QZQOTICOSA-N 400.305 5.128 10 40 HKCB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)oc2c1 28293814 OCPNMJGLTIKQSF-QFIPXVFZSA-N 420.553 5.245 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 100147754 LLAKCYHWWYXNRR-RCCKNPSSSA-N 402.881 5.725 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl 218925220 ZEYNYRCCHWUHKM-LJQANCHMSA-N 414.977 5.449 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2CC)c1C 222872811 MKDQZFHSXNPYNE-RPWUZVMVSA-N 418.610 5.434 10 40 HKCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Br)ccc1Cl 225073469 APCCRBPZZAHSPO-UHFFFAOYSA-N 407.739 5.023 10 40 HKCB COc1cccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1OC 409051099 IVRVEKBIZJFGPE-XDJHFCHBSA-N 400.430 5.477 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1CC1CCCCC1 409142803 BIQSYIYGXBJQIA-XQNSMLJCSA-N 420.578 6.057 10 40 HKCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1 1578237 KRAQMRWFTJNNIL-UUASQNMZSA-N 410.303 5.128 10 40 HKCB CC(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 2617195 UZWFBPGPPWCMSD-UHFFFAOYSA-N 414.508 5.587 10 40 HKCB CN1C(=O)/C(=C/C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S 4497949 FSHIAPSEJJTCPY-YXZJEIOKSA-N 406.576 5.339 10 40 HKCB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc(Cl)cc1 5407971 FAZQZWWMCCYNIT-UHFFFAOYSA-N 413.886 5.366 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408774853 YIXFGJFXDMWGHH-CJLVFECKSA-N 410.473 5.937 10 40 HKCB CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 409036218 ATUNKFHCERANGM-CXUHLZMHSA-N 411.427 5.501 10 40 HKCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc3ccccc3c2)cc1 4817301 SRPSRHNQURHNIW-QGOAFFKASA-N 417.512 5.775 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 5151269 SDDHBGUOBPWXPC-VKXGLNTFSA-N 419.554 5.294 10 40 HKCB Cc1cccc2c(C=C3C(=O)OC4(CCCCC4)OC3=O)c(-c3ccccc3)[nH]c12 408765977 CFQKEYLBLKAABW-UHFFFAOYSA-N 401.462 5.287 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 409169590 QBUFDABLMSWIOI-XWCIJXRUSA-N 413.117 6.722 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 2179376 VJKHASMPDYRGDV-JKDFXYPNSA-N 412.224 6.434 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 3769093 IUYYIXGNVRAYOI-SXGWCWSVSA-N 409.363 5.465 10 40 HKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 8377882 DSZJWVMVPRZSCN-JJRVBVJISA-N 405.679 5.837 10 40 HKCB Nc1c(NC(=O)OCc2ccccc2)c(/N=N/c2ccccc2)nn1-c1ccccc1 27016196 VBUNOQUZUKVMDT-CYYJNZCTSA-N 412.453 5.619 10 40 HKCB COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 32801855 CACYHUIOXCICKM-RUZDIDTESA-N 412.489 5.143 10 40 HKCB COc1ccc(-c2csc(N3N=C(C)/C(=C\c4ccc(Cl)cc4)C3=O)n2)cc1 100614769 FCKGZWQBYRMYOA-WOJGMQOQSA-N 409.898 5.278 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 208468610 VESBUSUODUTAQZ-JAIQZWGSSA-N 424.953 6.213 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(F)c(N4CCCC4)cc3C)N21 222673192 HVYAMXQQNYXXRR-WQTXXOFMSA-N 410.562 5.109 10 40 HKCB CC(C)Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc12 408969127 HTLBGBSPTXEFGR-ZHZULCJRSA-N 424.422 5.976 10 40 HKCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCC(C)C)=N1 408991861 RGTXJISSOHWPKW-QFIPXVFZSA-N 422.598 5.055 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 409349092 UKDXPGLRCKJXKL-WJDWOHSUSA-N 408.470 5.177 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC 6265122 SSCHALCLZHLRSP-XSFVSMFZSA-N 413.564 5.276 10 40 HKCB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1 102788942 RAIBDAIAWZVTTF-RUZDIDTESA-N 417.553 5.955 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)CC1 217990079 YVEISAFNMGWBGI-QZTJIDSGSA-N 417.018 5.934 10 40 HKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(F)c(Cl)c1 408984282 GHDIVXLHENDGHG-SFQUDFHCSA-N 410.275 6.604 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccccc3F)c12 409127761 JRZPOOLRZHTNEI-NDENLUEZSA-N 424.566 5.612 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 409165526 ZCVZWMXVUVFYIZ-RLFDGXBXSA-N 413.117 6.722 10 40 HKCB COc1ccc(CCN2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1 5551981 JEVGMJQIQBUBIW-QNGOZBTKSA-N 405.544 5.292 10 40 HKCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(Br)cc1 8436706 SWXGDAFIZJZHTA-WQRHYEAKSA-N 409.308 5.685 10 40 HKCB O=C(Nc1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1O 8453620 FIKBTOROKDGCOB-UHFFFAOYSA-N 423.497 5.983 10 40 HKCB CCOC(=O)c1cccc(N[C@H](c2cccs2)c2ccc3cccnc3c2O)c1 27644776 YYFZAMAFLGVYRR-NRFANRHFSA-N 404.491 5.380 10 40 HKCB COc1ccc2c(CNc3cc4oc5ccccc5c4cc3OC)cc(=O)oc2c1 29400328 LTERQLTUKZLODH-UHFFFAOYSA-N 401.418 5.322 10 40 HKCB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32594043 XFLPPDHQUWVTAV-GNUZOCDUSA-N 409.507 6.048 10 40 HKCB CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(I)o3)C(=O)O2)cc1 83262025 BLBOXYXXBUMXIZ-JLHYYAGUSA-N 420.246 5.163 10 40 HKCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219324178 SFDACWXRRJNGDG-FDDCHVKYSA-N 414.977 5.611 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(F)c1 222613732 FDPFHTGZBCGMSK-ITEAAPOESA-N 406.530 5.218 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 260763029 ICFLXWXSPFXQJX-YHYVQYDKSA-N 422.985 5.814 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 409038766 FOTKYXTVRLPTDD-XBXARRHUSA-N 421.152 5.495 10 40 HKCB Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 2067427 XOSQLBLGNAMRCF-ODLFYWEKSA-N 414.313 6.623 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1 4743508 WWIKVZNJGGYUPK-NBVRZTHBSA-N 402.837 5.720 10 40 HKCB O=c1oc2ccc(/N=N/c3cccc4ccccc34)cc2cc1-c1nc2ccccc2[nH]1 9187311 BUVVMMAYHWYIST-QVIHXGFCSA-N 416.440 6.905 10 40 HKCB CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F 13041970 NBVLIGANVIUYEI-WQRHYEAKSA-N 418.465 5.386 10 40 HKCB CCCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 21729037 MMZPFGHCJRHRIF-QFIPXVFZSA-N 413.477 5.104 10 40 HKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112286305 DRXYGDCRUXMQQK-UNOMPAQXSA-N 416.840 5.276 10 40 HKCB Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)no1 1098205 QDXYZNJWYYPKMK-SFHVURJKSA-N 400.265 5.745 10 40 HKCB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 1266441 YSQOHPFAMZIPFB-KRWXNTFSSA-N 422.575 5.171 10 40 HKCB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3[C@@H](C)CCC[C@H]3C)c12 1760206 BCKXDTKOBAGXQL-CALCHBBNSA-N 407.510 5.745 10 40 HKCB biogenic FC(F)(F)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4081962 SRKNHXLBHAHSOC-MPGHIAIKSA-N 410.233 6.174 10 40 HKCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 4747397 XIYSISLGETTWLZ-UHFFFAOYSA-N 408.837 5.178 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208443580 SMJHIYRXNPCNHG-MOSHPQCFSA-N 406.576 5.724 10 40 HKCB Cc1ccccc1Nc1cc(N2CCC(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 2248422 ULUQTEFKUDAENR-UHFFFAOYSA-N 423.516 6.328 10 40 HKCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 6003038 WBIHCPQEXXGOKO-VCBXAZPMSA-N 412.363 6.253 10 40 HKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1C1CCCCC1 9189195 HVPJFGFESLVWQP-QNGOZBTKSA-N 409.576 5.800 10 40 HKCB COc1ccc(N2COc3ccc4c(=O)c(-c5ccc(Cl)cc5)coc4c3C2)cc1 9423776 SPMXCDJAJHIMAB-UHFFFAOYSA-N 419.864 5.479 10 40 HKCB biogenic C/C(Nc1cccc(Cl)c1C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17092024 VVRDSYZVMVTGSF-JWGURIENSA-N 419.887 5.925 10 40 HKCB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 214606291 UHTHFIWWQWQGGV-UDWIEESQSA-N 419.458 5.190 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)CC1 218666847 WTZJHEOCUZQOFB-SFTDATJTSA-N 422.613 5.865 10 40 HKCB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219045321 PXMSYAVAYWGJOW-NJYVYQBISA-N 416.565 5.721 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1 260802944 SVYCXSDHTIUYGD-IRXDYDNUSA-N 420.475 5.198 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Br)cc1 408767546 YJLFVKTXJYRAHQ-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 5701501 VXTUGFXQJUMPCU-UHFFFAOYSA-N 407.322 5.009 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(c2ccccc2)=NN1c1ccccc1 13512951 VSRAKSZJEXWQGO-QJOMJCCJSA-N 424.887 6.435 10 40 HKCB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(N2CCCC2)cc1 13669242 CCXAKMSHTYFFER-UHFFFAOYSA-N 409.382 5.143 10 40 HKCB CN(C)c1ccc(/C=C2\SC(=O)N(CCOc3cccc4ccccc34)C2=O)cc1 17185977 LFZGMAMKQGGQLT-JWGURIENSA-N 418.518 5.021 10 40 HKCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222616651 CYZDHNOBEKYHNU-PBNUPURSSA-N 418.566 5.087 10 40 HKCB Clc1ccc(COc2ccc([C@@H]3Nc4ccc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736042 BWGFZTDZQHKWEV-SLSDLSHTSA-N 422.355 7.399 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc2ncccc2c1 408738787 OLUQXYLBLYYZQL-RCCKNPSSSA-N 419.440 5.614 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1O 998025 QJLIVPIOOBMECF-LFYBBSHMSA-N 411.672 5.167 10 40 HKCB CCCCOc1ccc(N2COc3c(cc4c(CCCC)cc(=O)oc4c3C)C2)cc1 2112439 XLWBNAMGIHEDKY-UHFFFAOYSA-N 421.537 5.979 10 40 HKCB biogenic CCCCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2112666 IEUCGFYTOYMPRE-UHFFFAOYSA-N 405.494 5.207 10 40 HKCB biogenic Cc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)c(C)c1 9188602 ZCMRUOHZPDYVBR-YBEGLDIGSA-N 404.354 5.472 10 40 HKCB C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc23)C1 20412395 CEJHQXJNVXBZGW-CQSZACIVSA-N 417.427 5.416 10 40 HKCB biogenic CCCn1cc(/C=C2\C(=O)N(c3ccccc3C)C(=S)N=C2O)c2ccccc21 33333719 YIPKGRQFCCOFBQ-AQTBWJFISA-N 403.507 5.031 10 40 HKCB Oc1c(Br)cc(Br)cc1CNc1cnc2ccccc2c1 38142838 XSSXZAOJTXILLG-UHFFFAOYSA-N 408.093 5.078 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Cl)cc2)c1 408758103 GPLZCUKJBOHAJB-UDWIEESQSA-N 416.864 5.212 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(C)c2)c1 408759243 ALJCYXSQLWBWPX-NLRVBDNBSA-N 402.497 6.291 10 40 HKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cc(C)cc(C)c1 408944267 UFQRETQEEKSHIR-LFVJCYFKSA-N 424.500 5.324 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 408985053 LBAGIZBNWFLNEK-CJLVFECKSA-N 415.920 6.206 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409015446 RCPYIKXNZWMPQC-WXUSHSQQSA-N 404.535 6.082 10 40 HKCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409019561 UFIUKDAQULADQX-BOPFTXTBSA-N 416.304 5.487 10 40 HKCB CC(C)OC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N 658553 JJPHUTPXQWJCPA-UHFFFAOYSA-N 412.511 5.978 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 7097040 VGZHEOKJWIRQQQ-JXQFQVJHSA-N 402.881 6.742 10 40 HKCB COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4c(C)noc4C)n3)c2C)cc1 15651495 ILPHOGLNXIIERD-UHFFFAOYSA-N 422.510 5.083 10 40 HKCB Cc1cccc(NC(=O)c2cc3cc(/N=N/c4ccccc4Cl)ccc3oc2=O)c1 18143431 HYENGBBCWLYETF-CYYJNZCTSA-N 417.852 6.423 10 40 HKCB COc1cc(-c2ccc(/N=N/c3ccccc3)c(OC)c2)ccc1/N=N/c1ccccc1 18169206 MMOYRWFODWJWKM-QAVVBOBSSA-N 422.488 8.202 10 40 HKCB CCn1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)c2ccccc21 33537255 DBBVKXNEVGAARB-MOSHPQCFSA-N 401.466 5.291 10 40 HKCB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccco2)cc1 44086191 YJEXCWRNMHNDBR-UHFFFAOYSA-N 403.507 5.231 10 40 HKCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219330477 SWGGILNKBUXHBY-SQJMNOBHSA-N 408.586 5.575 10 40 HKCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 408736661 ZOSGEURZLVTGIA-DPLHUUCSSA-N 411.457 5.431 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 408985319 LJNLKPODKANXFY-HAVVHWLPSA-N 411.501 5.561 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 409210949 LVOGSYKSNNVQIB-MTJSOVHGSA-N 422.937 6.297 10 40 HKCB Cc1cc(-c2csc(N(c3ccccc3)c3ccccc3)n2)c(C)n1-c1ccccc1 3207116 ACPJEHFUQTYSID-UHFFFAOYSA-N 421.569 7.687 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccccc1 4954204 HFLGDRWVTDWJGA-LDADJPATSA-N 408.460 5.261 10 40 HKCB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3O)C2)cc1 5675791 KVJZISHZHYRVTL-NRFANRHFSA-N 406.869 5.046 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3c(C)cn(-c4ccccc4)c3C)SC2=S)cc1 13602850 FMOSXAPEUBHLRB-BKUYFWCQSA-N 420.559 5.509 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccc3Cl)C2=O)cc1 17091251 HOIHQQZMPPLNEH-JWGURIENSA-N 417.896 5.486 10 40 HKCB CN(C)c1ccc(/C=C2\CCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1 27515394 ATJIZPXGDIVKOJ-LYBHJNIJSA-N 402.541 6.968 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(F)c1 408585424 DHFDPTKZWDWCNQ-DHDCSXOGSA-N 406.240 5.010 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(OC)cc3)C2=O)cc1 408764463 WYHYUYCSJJSOKN-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/Sc4ccccc4NC3=O)c2C)c1C 409105623 NOBIZECDRCZXJE-LPYMAVHISA-N 418.518 5.274 10 40 HKCB CN(C)c1ccc(/C=C2\CCc3c(-c4ccccc4)cc(-c4ccccc4)[s+]c32)cc1 685944274 IARHEAXVSWKLFT-LYBHJNIJSA-N 420.601 7.916 10 40 HKCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc2ccccc2c1 1847759 HWBYNFBJHNGAGA-RGEXLXHISA-N 422.531 5.053 10 40 HKCB CCCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 4957196 FEVZWMYOBYGFSJ-QFIPXVFZSA-N 402.321 6.248 10 40 HKCB CCCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 4957197 FEVZWMYOBYGFSJ-JOCHJYFZSA-N 402.321 6.248 10 40 HKCB Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 18190082 AUWBYGKTYGPRHY-QFIPXVFZSA-N 424.331 6.461 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 408736114 FSOLHEZUCCOKOV-YDIMBITNSA-N 407.435 7.324 10 40 HKCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C 408779822 LNBIIRQPEVWNJZ-QRVIBDJDSA-N 420.553 5.040 10 40 HKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409054754 BHRCPCUOYAULGE-HMAPJEAMSA-N 420.553 5.121 10 40 HKCB O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1c1cccc2ccccc12 409348915 UBAWIZHUYBQAFB-BOPFTXTBSA-N 416.354 6.552 10 40 HKCB CCSc1c(C(=O)Nc2cccc(Cl)c2)ccc2c1C(=O)c1ccccc1C2=O 8867471 OCMFZCXZUZBXGV-UHFFFAOYSA-N 421.905 5.480 10 40 HKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1 35043375 ATNPQLHNBPJKMK-QGOAFFKASA-N 415.356 5.874 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 101147830 CJDVXNWSHASYPB-GJLLLRFJSA-N 403.909 5.933 10 40 HKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2C(C)=CC1(C)C 208532139 VZKATYYKRABMRN-HMAPJEAMSA-N 415.537 5.110 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 225377834 YAZVCGOMWQFNAT-KRWDZBQOSA-N 419.396 6.040 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260578046 UZXHMVNMUYJEMR-BULFRSBZSA-N 408.586 5.493 10 40 HKCB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736347 QOYZREOGNYGHAA-DPLHUUCSSA-N 412.445 5.641 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(C)cc2)cc1 408758377 JGJOOFYOUWRUGW-NLRVBDNBSA-N 418.496 5.991 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(F)cc2)C1=O 408767438 XQIQAEXZUNUXHI-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2S)cc1 408779577 GBEUVEGPDINQFW-XMHGGMMESA-N 414.486 5.663 10 40 HKCB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(Cc2ccccc2)c1C 408995939 CCERFHOXGXEXAT-XYGWBWBKSA-N 420.516 5.508 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409342872 FRLNPKATVFBHMV-BKUYFWCQSA-N 423.534 6.172 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@H](C)C2 920917 OQIHROIKWPNHMI-INIZCTEOSA-N 421.566 5.531 10 40 HKCB COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)cc1 5182714 MGSSSNFDMFQGBL-UHFFFAOYSA-N 408.498 5.084 10 40 HKCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 7738675 UPGGSWJJSXNUDV-UHFFFAOYSA-N 420.582 5.291 10 40 HKCB CCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 8836008 KSIZUTVDJYRPBL-OTZYSICVSA-N 409.618 5.008 10 40 HKCB Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3ccc(O)c4ncccc34)cc2)c1C 17819767 VWGKRHZISCHYAY-WCWDXBQESA-N 422.466 5.366 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C)c1 27017722 ZZNYWYIRKYWCMT-WBBLQMNESA-N 411.549 7.668 10 40 HKCB CCOc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1 59425804 NTQSFXLRYMEKEI-LGMDPLHJSA-N 403.390 5.235 10 40 HKCB Cc1ccc(/N=N/c2cc(C)ccc2N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 100529636 LUVORNYWEYQOHA-WCWDXBQESA-N 400.394 5.428 10 40 HKCB FC(F)(F)c1cc(NC(=S)NCCCN2CCc3ccccc32)ccc1Cl 225559697 JWSNPYRYDSKTRX-UHFFFAOYSA-N 413.896 5.098 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1cc(Cl)cc(Cl)c1)C(F)(F)F 409000084 DOSHVCZRAZAFBR-NXVVXOECSA-N 414.214 5.644 10 40 HKCB C[C@H]1N(C)c2ccc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C 3195024 HKHFYQJRLZEXCN-NIYFSFCBSA-N 408.545 6.019 10 40 HKCB Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c(C)c1 16738299 VMFOIRPYRKNHDD-JAXWBCMNSA-N 422.575 5.008 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)C1 260740049 SBEJAULOLGUWCS-HOTGVXAUSA-N 421.532 5.989 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1F 408742110 NALFZALMSKMFBZ-FYJGNVAPSA-N 416.448 5.703 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)c1 408759949 OUDVTYHGNZZYEW-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB Cc1ccccc1Nc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 2307477 VUJPAEGPQCOXFV-INIZCTEOSA-N 423.516 6.328 10 40 HKCB CCN(CC)CCC[C@@H](C)Nc1c2cc(OC)ccc2nc2cc(Cl)c(N)cc12 4363965 AAUBBNVAOSGOOE-OAHLLOKOSA-N 414.981 5.555 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13809961 YVSWRWUXVHHQPL-UNOMPAQXSA-N 407.813 5.314 10 40 HKCB Cc1ccccc1COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 13896109 VVYWQYNWOWNVAW-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222873638 WVVGASUYCOVHCX-FCHUYYIVSA-N 408.546 5.011 10 40 HKCB Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 4289720 BFPNPUOQODBWAM-SGIRGMQISA-N 416.546 5.622 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1 6241489 HHDZJKDZTMYHPS-CSXYZGERSA-N 418.625 5.914 10 40 HKCB CCN(CCc1cc[n+](C)cc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 18211708 SRYQUKDZKJGQGZ-OCOZRVBESA-N 424.912 5.557 10 40 HKCB COc1ccc(N2N=C(C)/C(=C\Nc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 101127943 DDKWYNSQGQYMHF-UKTHLTGXSA-N 410.688 5.374 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 144198003 PTIJOCXFSPJFAW-STZFKDTASA-N 404.491 5.344 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)c1 409344268 IOSGBJWZGCFWPS-DHDCSXOGSA-N 408.317 5.302 10 40 HKCB Cn1nc(-c2ccccc2)c2c(Cl)cc(C(=O)C(F)(F)F)c-2c1-c1ccccc1 3114712 HBAQPSOSPZVPDL-UHFFFAOYSA-N 414.814 6.257 10 40 HKCB biogenic Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccccc1 3250675 MHNRSBXLFYLPNO-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4321246 AVJMLGPBLBABFW-NEMUNFNQSA-N 415.508 5.897 10 40 HKCB CCCCCN(CCC)CCCCCCCCCN1CCCc2cc(OC)ccc21 4366810 DBXUVVWGQGLGIG-UHFFFAOYSA-N 416.694 7.081 10 40 HKCB CCN(Cc1ccccc1)c1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 96669660 LKUWDOZEOIPDJC-CJLVFECKSA-N 405.567 5.216 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccn3)cc2)SC(=S)N1c1ccccc1 98054929 UBTNAILBUODYSJ-XSFVSMFZSA-N 404.516 5.066 10 40 HKCB Cc1cc(N2Cc3ccccc3C2)c(C)cc1/N=N/c1ccc(Br)cc1 100131908 KBULNKMQFMAJLM-OCOZRVBESA-N 406.327 7.002 10 40 HKCB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218677298 IFKFNWJLHUFGQD-SQNIBIBYSA-N 400.950 5.221 10 40 HKCB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219298854 NUWVMOBFSRQYOR-NJYVYQBISA-N 408.586 5.691 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 222963706 CABLTWDEOVAPOH-GOTSBHOMSA-N 422.573 5.401 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 260839150 JDGYTIPZRAGZHA-YPAWHYETSA-N 422.613 5.999 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 408754839 OOFWLSPMMBJNBV-LFVJCYFKSA-N 424.887 6.033 10 40 HKCB Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C 5478605 SEJDSRYJFJPZIT-WEHZRUJJSA-N 419.554 5.068 10 40 HKCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 35077782 WJKHGMRDKMDDSB-RIYZIHGNSA-N 417.836 5.904 10 40 HKCB C/C(NCc1ccccc1Cl)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112290750 GGUPZAQIURMHKF-JWGURIENSA-N 419.887 5.294 10 40 HKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223584577 AMMLOZUKYZXUKN-CPEHUTGBSA-N 420.578 6.348 10 40 HKCB CCCCOC(=O)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 408966993 PDTFYJFJIYYVMA-UHFFFAOYSA-N 412.327 6.172 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21 409157493 QWEOHCABBWTBDN-WVQJBOLRSA-N 417.780 7.204 10 40 HKCB CC(C)n1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409332175 PRCIBMOPWQNHHD-ODLFYWEKSA-N 423.519 5.536 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 8821855 AOZOJDFWRNOBAU-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 17264957 RGOGOLORKZTVFE-QJOMJCCJSA-N 409.485 5.643 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 408604518 VAOWSIMZHKXNEM-YVLHZVERSA-N 424.374 6.188 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409335948 ZVMJGZXCPPZGPS-OOWUWCJESA-N 413.564 5.274 10 40 HKCB O=c1cc(C(F)(F)F)c2ccc(Nc3c4ccccc4nc4ccccc34)cc2o1 4588011 HLPYQPCDBFDTTQ-UHFFFAOYSA-N 406.363 6.257 10 40 HKCB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccccc1Cl 36354877 CECLMHAETHTQAB-UHFFFAOYSA-N 416.912 5.352 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3cccc4ccccc34)cc2)CC1 219044982 KUSAZGYUSVDPTL-RTWAWAEBSA-N 416.565 5.721 10 40 HKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 225101499 DMVZNNZXWVWPKE-VWLOTQADSA-N 406.570 5.030 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1C 408734457 GNRGRZAXWGNNDB-UHFFFAOYSA-N 423.969 6.312 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408976453 RAGQUWMUVXBSHY-ATVHPVEESA-N 416.304 5.569 10 40 HKCB Brc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1 7097633 LOHXGVJBQOWZHN-FUDKSRODSA-N 402.335 6.943 10 40 HKCB Oc1c([C@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)ccc2cccnc12 20192753 ULORUORGDZBJQX-AREMUKBSSA-N 409.533 5.380 10 40 HKCB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(/N=N/c2ccccc2)cc1 30810100 HUYXICQOWGPNTP-WCWDXBQESA-N 403.467 5.785 10 40 HKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 33660905 TVIHFZXELRNEBT-DEDYPNTBSA-N 419.868 5.254 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 4808325 SGDGWJYKGHLMDK-RZQQEMMASA-N 413.926 5.359 10 40 HKCB Clc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 6548402 OATPWHYBWFRJDD-JCGVRSQUSA-N 407.682 5.771 10 40 HKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 8377886 DSZJWVMVPRZSCN-GRDNDAEWSA-N 405.679 5.837 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1c(C)cc(C)cc1C 100525035 OXHIJIMJUGOLAP-JMSHBIQUSA-N 417.538 5.919 10 40 HKCB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 100552402 UKAILOGTVDDCOO-WJDWOHSUSA-N 412.902 5.067 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1Cl 106684071 DGHDFTJSFWEREC-ZHZULCJRSA-N 412.942 5.567 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 409339925 MUZPNDGHHPJNAV-RCCKNPSSSA-N 411.592 6.163 10 40 HKCB Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] 9296534 XLVNZMNBPXJJTH-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB O=C1c2ccccc2C(=O)c2c(/N=N/c3ccc([N+](=O)[O-])cc3Cl)ccc(O)c21 18098634 IEXCCPKNYHWLNG-GHVJWSGMSA-N 407.769 5.145 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 59267162 KEYLFHQXPIDQEN-VKJFTORMSA-N 402.263 5.201 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 100275285 CWCYTEMFYOHAMV-LDADJPATSA-N 413.876 5.480 10 40 HKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2ccccc2)c1 106115596 PHDYYFBAQDXKPP-STZFKDTASA-N 420.921 6.001 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)C1 217990425 FTYVOTKTSXQNNB-KZNAEPCWSA-N 417.018 5.934 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(Cl)c3)N21 260784248 VLQXOWIYSFQNQQ-HBGVWJBISA-N 412.990 5.315 10 40 HKCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)ccc1Br 409206280 SRHNZKYVAJNXKK-DEDYPNTBSA-N 421.338 5.682 10 40 HKCB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2O)cc1 2631588 ZUMOWGJFWRANJE-NRFANRHFSA-N 423.310 5.230 10 40 HKCB Fc1cccc(/N=N/c2c(-c3ccccc3)nn(C(=S)S)c2-c2ccccc2)c1 17129837 QXKRKBKXHDUJQJ-OCOZRVBESA-N 418.522 6.834 10 40 HKCB Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)n1-c1ccccc1 24028211 PVLJDKLDPYZTAR-UHFFFAOYSA-N 415.518 5.660 10 40 HKCB COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1OC 59267160 BOKUEZDPRWVPMX-FHSNZYRGSA-N 404.279 5.432 10 40 HKCB aggregator Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2C(C)C)cc1 408784773 SPKQWEOWELTOBO-CJLVFECKSA-N 424.500 6.498 10 40 HKCB Cc1cccc(Nc2cc(N3CCC[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2298320 CWLFFCXXKSNQSR-KRWDZBQOSA-N 423.516 6.328 10 40 HKCB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C 12278485 VHKNZBVUSJMOIE-CRVGVPJFSA-N 422.575 5.090 10 40 HKCB Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Cl 13675910 CWJXIPQIHUAPNQ-GOSISDBHSA-N 400.950 5.031 10 40 HKCB COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1Cc1c(C)noc1C 19581021 SGAUJVZMYYXHRL-UHFFFAOYSA-N 408.517 5.589 10 40 HKCB O=C(Oc1ccc(/N=N/c2ccc(C(=O)Oc3ccccc3)cc2)cc1)c1ccccc1 24605390 CZTGAUOTWSCOJW-BYYHNAKLSA-N 422.440 6.540 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 58929074 CDTFPHKUXBFPHE-IIYDPXPESA-N 405.679 5.837 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)n1-c1ccccc1 225030786 DNZYPCCASDVOGR-DHIUTWEWSA-N 402.567 5.096 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(COc3cccc(C(F)(F)F)c3)o2)SC1=S 4652212 YZIUJTRWPZCQPB-OQLLNIDSSA-N 413.442 5.099 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2)C1=O 8763435 ZAAAUNSWOYDONU-XBTKLTQZSA-N 422.575 5.253 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC 13618973 IDZDWDVAPRHBHT-MFOYZWKCSA-N 423.918 5.292 10 40 HKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 58928749 ACFFOEJFMHRGLM-BWACUDIHSA-N 404.691 5.627 10 40 HKCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 59137274 WTRDUCCQWUVTSP-CIAFOILYSA-N 417.440 5.048 10 40 HKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 102949789 RQCXNSLBCHZAJB-ZQHSETAFSA-N 412.415 7.382 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222872050 PQSVSLRHFFGBOA-XZOQPEGZSA-N 404.583 5.180 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 225336556 BFSJNVBLKBKUCR-QGZVFWFLSA-N 419.396 6.040 10 40 HKCB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1 409249635 NSINDGBOSKWHDL-OEAKJJBVSA-N 413.521 5.112 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC 409341350 BFLWNYYKDIQUKP-HCZVKUGISA-N 417.527 5.417 10 40 HKCB Cc1cc(C)c2nc(Cl)c(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 2446061 UKMJEINYWUBPSF-YHZGQTRVSA-N 417.940 5.142 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 8092258 XOQFLVXELCSIFR-PJYBLOJUSA-N 408.712 6.260 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1 8989936 HZESSFREUISFII-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB CN(C)c1ccc(/C=C/C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 19324969 GWPLRBJONSCRSH-KNTRCKAVSA-N 411.593 5.500 10 40 HKCB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)s1 71326574 YCTIAYUAJGXJNS-UHFFFAOYSA-N 420.582 5.288 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl 112126430 OPHPSPGDVMJZBY-UNOMPAQXSA-N 406.288 6.021 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 208441136 PMBZQADNIGSEMS-BKUYFWCQSA-N 404.535 5.555 10 40 HKCB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C(C)C 225667033 JTHCJYNTYUKOBX-HXUWFJFHSA-N 408.586 5.854 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc4c(c3)C(C)=CC(C)(C)N4C)N21 260769353 LQUHWVRNEQFTQW-SXSPYAJSSA-N 418.610 5.693 10 40 HKCB CCOc1c(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1OC 409181487 BQFDETLCJBIRJL-CXUHLZMHSA-N 423.918 5.292 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1cccc(C)c1 1183446 IVCYNEUKAQKXMW-MOSHPQCFSA-N 413.564 5.194 10 40 HKCB O=C1/C(=C/C=C/c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 3005074 OAJODVCUXDWSQI-UWEUVYFBSA-N 416.365 5.407 10 40 HKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 4696427 UVVRZAKBYZIAOW-ZDLGFXPLSA-N 416.304 5.175 10 40 HKCB CC(C)(C)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 5371477 BZYMYIOQQIFPNJ-PDGQHHTCSA-N 417.983 5.919 10 40 HKCB COc1cccc(CNC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)c1O 6763179 UXRDKNGWWVKILZ-MYKRZTLLSA-N 421.625 6.324 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 13562252 WVZQWGLWOHMWAG-GPMSIDNRSA-N 405.254 5.565 10 40 HKCB COc1ccc(Br)cc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O 107545138 LESKBJXETXVSRO-OQLLNIDSSA-N 423.719 5.194 10 40 HKCB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219368202 WMDAPEUCRJBNAH-MEKIYTOJSA-N 408.586 5.575 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618594 BCYIWDLIGMDTMR-NTUVXCKYSA-N 416.594 5.695 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1ccc(Cl)cc1 408760268 VRICEISVZSSDRM-JJIBRWJFSA-N 408.888 6.328 10 40 HKCB COc1cc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 408864391 ZRUXYANIESLVPM-XFQAVAEZSA-N 414.343 5.910 10 40 HKCB CCn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21 409148159 XMQPEKSJIXARTK-NDENLUEZSA-N 408.548 5.071 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C/c2cccs2)SC1=S 1669943 IARZUOKHXXVXTN-OVCORXIESA-N 421.568 6.153 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c[nH]c2ccccc12 16160858 UFCPRBFAIIUOAY-NSIKDUERSA-N 404.684 5.934 10 40 HKCB CSC(=S)n1nc(-c2cccs2)c(/N=N/c2ccccc2)c1C(F)(F)F 17141402 BRBCEOLWXNFELI-QZQOTICOSA-N 412.487 6.542 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 101151556 LFJRRMWGJUWZMX-QHRIQVFBSA-N 405.281 6.127 10 40 HKCB O=C1/C(=C\c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1c1ccccc1 408901191 BVNJXFTYLMOPDO-KGENOOAVSA-N 421.518 5.811 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1cccc(Br)c1 409052186 QRDAVTBQICXFAI-QGOAFFKASA-N 419.274 6.223 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409329392 FOKWJPLEBPRPTF-BKUYFWCQSA-N 423.534 6.172 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1O 409343169 CQTSODMROYJZKQ-YBEGLDIGSA-N 405.928 5.159 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C(=N)N12 102469375 VFAAFPXEPANIAL-ALRRYEELSA-N 423.925 5.394 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 408760880 AOHGJZBDQHHEQX-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 408834706 UZKDJWGSSJZDAC-KQWNVCNZSA-N 418.537 5.099 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408987789 YENQCEBCYLPXLU-CPNJWEJPSA-N 406.312 6.773 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(O)cc1 409127022 PYYMFVQMJKVPHF-FYJGNVAPSA-N 410.539 5.416 10 40 HKCB Cc1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)c1 409345453 IMWYFLSRCUFKDA-QNGOZBTKSA-N 403.528 6.193 10 40 HKCB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1 1908791 XMGGGKOWSSBGQU-MNDPQUGUSA-N 410.564 5.087 10 40 HKCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 9356895 MAFVGZAWKISWKF-MOSHPQCFSA-N 417.440 5.048 10 40 HKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2C(C)=CC1(C)C 208525344 GQKJWPOHRSRXMH-HMAPJEAMSA-N 417.578 6.099 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)cc2)CC1 222603019 BVEFENCBLVZBTO-SFTDATJTSA-N 420.597 5.446 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409167577 JGGXCQPVTJRDFE-AGKHESDQSA-N 418.673 7.492 10 40 HKCB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc2ccccc2c1 5059556 LUTGEYFWWUPYLP-UHFFFAOYSA-N 413.458 5.520 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 11859511 NDNSCLBAKMRQSJ-AGKHESDQSA-N 418.673 7.492 10 40 HKCB CN1C(=O)/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC1=S 103957069 RGXQUSFSUBFUMO-XFHHHWHQSA-N 423.441 5.657 10 40 HKCB Cc1c(/N=N\c2ccc(Br)cc2)c(-c2ccccc2)nn1C(=S)S 104223371 DXPAKKRVOCZXIJ-VXPUYCOJSA-N 417.357 6.099 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409167588 JGGXCQPVTJRDFE-VGTOOOLASA-N 418.673 7.492 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccn1 409214912 VFIJBACBVMGYGE-WOJGMQOQSA-N 409.898 5.383 10 40 HKCB FC(F)Oc1ccc(NC(=S)NNc2c(Cl)cc(Cl)cc2Cl)cc1 3337476 LSMCGBPDHVWMNV-UHFFFAOYSA-N 412.676 5.562 10 40 HKCB COc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)c2ncccc2c1 4522404 XZHCLCKXRJSPJS-UHFFFAOYSA-N 415.880 6.350 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 6963485 OQCGFTDIWBNWSH-JCYRPKCISA-N 418.005 7.767 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 34720750 ONBXXLYKKFFHCE-FZAWDKCWSA-N 423.517 5.043 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 222369416 FVAPGMNLQMHFFK-BIENJYKASA-N 401.260 5.192 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486840 FTZPGFNNZGFBAR-WMZHIEFXSA-N 421.884 5.082 10 40 HKCB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578106 VYPHDNNYUSYLNM-PTLVVNQVSA-N 408.586 5.575 10 40 HKCB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 409165057 RUNARRDHWQJIEK-SOZUMNATSA-N 401.260 5.192 10 40 HKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 871837 VHSVKVWHYFBIFJ-YPENRWOSSA-N 412.283 5.207 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S 3177270 IMEFVOPLLUJFHN-SXGWCWSVSA-N 410.486 5.334 10 40 HKCB NC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccccc2Cl)c1-c1ccccc1 17129828 HKMFTEZOWQIZMO-QPLCGJKRSA-N 417.925 6.378 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1 27519448 DSQBBSWFDORXBA-QGOAFFKASA-N 422.311 6.473 10 40 HKCB COc1ccc([C@H](O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 30822813 XEGBTXNOUDRBGS-ZELUPATCSA-N 410.857 5.617 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)cc1 44086264 NMODBVNDTNHKGU-UHFFFAOYSA-N 413.546 5.638 10 40 HKCB Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1C1CCCCC1 59135010 GNLQYBGDSGGFJP-DEDYPNTBSA-N 409.461 5.256 10 40 HKCB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219321263 MMXDIOCQKDJLJD-JBYIUTFZSA-N 414.977 5.611 10 40 HKCB CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223567900 IBQLXVGPZCCWLH-GFHXCNCHSA-N 417.553 5.280 10 40 HKCB C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225336907 FPODJUDWZCCQJD-SJORKVTESA-N 419.396 6.040 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3Cl)cc2)C1 225378459 NURYPENQFDVXGL-MRXNPFEDSA-N 405.369 5.479 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1 408771093 CEEONJIRJYEGTJ-PXLXIMEGSA-N 424.456 5.577 10 40 HKCB COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl 409081363 NUVRLAJLQWMOEG-PDGQHHTCSA-N 423.299 5.837 10 40 HKCB CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)c3ccccc3n2)cc1 4058738 JYZURQWLRUTRQE-KAVGSWPWSA-N 419.572 6.708 10 40 HKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)c1 9849436 IPQXKKYPNVLRDL-SXGWCWSVSA-N 420.353 5.177 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccc(F)cc1 40005902 VVAZAAFWRKOEOH-XDHOZWIPSA-N 417.527 5.025 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)[C@H](C)CC(C)(C)N2C(C)C 223613824 KKMCPHPOQVLXJL-IWEBCOIVSA-N 400.588 5.940 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 408847912 VUQABAJMDQYMGE-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)c1OC 409164961 QFPSIJRLMMMUTL-FTLABTOESA-N 409.835 6.203 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409171231 ZMOZBVJLWCHRFR-KEYDSSBGSA-N 418.673 7.492 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1C 3652644 OOEQVQDTXPKCQY-WSDLNYQXSA-N 419.912 5.462 10 40 HKCB O=C(/C=C/c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 4670492 LRTXLINAKOAETK-GLBTYYSXSA-N 402.881 5.437 10 40 HKCB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1 6142537 QTLJZNHBAVPMTP-RIYZIHGNSA-N 410.745 5.508 10 40 HKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 20238640 IJSWWSLGIAUJPY-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(C)cc4C)=NC3=O)cc21 208448982 RXWFQVZXODSHGH-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB Clc1ccc(Cl)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 226862184 PDVXXLUOGCQMHN-OHUGHZGNSA-N 416.351 8.126 10 40 HKCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260592218 QYPORUBECOJKEB-IXFSTUDKSA-N 414.977 5.611 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1 408766890 UHGVPYRJUUXBCM-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1 409349813 QXISZGYHQMKQOV-MOSHPQCFSA-N 407.516 5.263 10 40 HKCB CCOc1cc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC 3640831 HZFXBOSCUCIPSU-QHCPKHFHSA-N 415.493 5.253 10 40 HKCB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10215959 XRMHDDXDIBTZBZ-WZONZLPQSA-N 406.507 5.403 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OCc1ccccc1 36613115 VLQOVMQNMAKHID-MOSHPQCFSA-N 411.548 5.028 10 40 HKCB CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 95451556 ROAPKVMCQPAHHN-OALUTQOASA-N 409.530 5.272 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144213153 VAABGUQQRDOOSM-STZFKDTASA-N 402.519 5.952 10 40 HKCB COc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1 408984975 JUDRCFBUDFVHCF-LDADJPATSA-N 422.311 6.473 10 40 HKCB CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 5370740 HACDIICYANZZJZ-SDXDJHTJSA-N 405.585 5.100 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 6883868 MJOINTDJELPZRP-JQIJEIRASA-N 411.614 5.545 10 40 HKCB Cc1ccc(COc2cccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2)cc1 8821303 DCPFLNXHPWMSEY-BKUYFWCQSA-N 421.543 5.568 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 13787028 NHIQOVAXLPQVHT-MFOYZWKCSA-N 418.465 5.603 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4)cc3)cc2)C1 44854982 QRULUJQEAMSRMI-NHCUHLMSSA-N 405.586 5.010 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1Cl 100510992 NCRHXRLKRNAQTO-FTGFMQHASA-N 409.902 5.647 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2C(C)=CC1(C)C 208512175 ICVYJXSPCZLCEF-HMAPJEAMSA-N 418.562 5.945 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3C)N21 222678378 MBESXRNGGBTBMQ-YFXJRYMSSA-N 406.599 5.360 10 40 HKCB COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(O)c2/N=N/c2ccc(C)cc2)cc1 252478767 AUVADICCOCFXQS-CYYJNZCTSA-N 414.461 6.515 10 40 HKCB CCN(CCOc1ccc(OC)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 299888437 JRGMBLADXKQLLB-UHFFFAOYSA-N 420.469 5.924 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(C)cc2)cc1 408766162 ZVKBGODVXMRBBK-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 409001884 XJAGIJNDIUDOFI-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CC(C)n1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 409086192 GJDYOOHGVJQIKT-YBFXNURJSA-N 422.531 5.326 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)c2ccccc21 9009452 UHUYHDXQGCZDHA-DEDYPNTBSA-N 417.534 5.340 10 40 HKCB CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(Br)cc3)c2c1N 16683009 ZJFLJCWQQWACBS-UHFFFAOYSA-N 417.328 5.362 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccn2)cc1 28291158 INDBZSHMQDMDHY-UHFFFAOYSA-N 417.553 5.157 10 40 HKCB CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 31982985 AQOUQYDJNYCSGM-CLFJUMGRSA-N 401.900 5.251 10 40 HKCB aggregator CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577813 MMXDIOCQKDJLJD-SPEDKVCISA-N 414.977 5.611 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1 260802941 SVYCXSDHTIUYGD-DLBZAZTESA-N 420.475 5.198 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1 408758494 LAXPPQUNLIVRSE-CJLVFECKSA-N 402.881 5.573 10 40 HKCB CC(C)Oc1ccc([C@H](CCNCc2ccc(N(C)C)cc2)c2ccccc2)cc1 1837221 JFEBMWHNQBIYJM-HHHXNRCGSA-N 402.582 5.852 10 40 HKCB biogenic Cc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1 5551785 NZQFVXAHEWFYEE-MNDPQUGUSA-N 419.612 5.792 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)cc1 33721994 NKDVSEBIDLQHSC-STZFKDTASA-N 409.530 5.379 10 40 HKCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222834114 BBXSNYFSEBVAMM-BJKOFHAPSA-N 418.610 5.487 10 40 HKCB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222970264 KHILJFMITDYXFA-XUZZJYLKSA-N 408.586 5.575 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 408772881 NTAUBTFNWUEWLS-LWUPDDLQSA-N 417.578 5.565 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409349201 UWVWOOXBHYTZHJ-YBFXNURJSA-N 412.967 6.111 10 40 HKCB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(/N=N/c2ccccc2)cc1 4703049 LNNACELZOAWTTO-QZBXLYOJSA-N 404.473 6.873 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccccc2)SC1=S 17300228 KTRAWKDBDIDDDZ-JCZXDDDQSA-N 415.539 6.092 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3)cc2)C1 218043560 NNZWHVNWSKULSD-QZTJIDSGSA-N 417.018 5.687 10 40 HKCB CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@@H]21 227486673 DNLGNANDJKVQJH-FDDCHVKYSA-N 406.507 5.403 10 40 HKCB O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 408718856 ORHGUOALJDJADC-VGOFMYFVSA-N 415.845 5.470 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)O)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736162 IZRFAQHTCSTYGC-UMFSSWHCSA-N 411.501 6.099 10 40 HKCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3c(C)c(C)cc(C)c3C)ccc12 5543712 UAEXUBWBSNGIMB-UHFFFAOYSA-N 402.490 6.076 10 40 HKCB Cc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1F 6044056 YOPAWADSBVGLRO-UHFFFAOYSA-N 409.501 5.176 10 40 HKCB Cc1cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)ccc1Br 6901842 KFZDJDFQTFYZMV-UHFFFAOYSA-N 406.279 5.144 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@@H]4C=CC[C@H]43)cc2)cc1 19891406 JKIBNJANVUIJOM-RQTOMXEWSA-N 401.937 7.054 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 40005921 FGUNWGOLWHCOPP-MOSHPQCFSA-N 413.564 5.194 10 40 HKCB C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)nc1 95465443 YJZAQMPYGYNJJD-IBGZPJMESA-N 409.489 5.253 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(F)cccc1Cl 100275279 OBEPMLKGPABHOK-XNTDXEJSSA-N 406.240 5.010 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(Cl)cc2)c1 408765301 OWYIXBXJGMHZCE-KGENOOAVSA-N 416.864 5.181 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409009024 BEPBCFVEHKGNAH-MQHRVFIMSA-N 405.859 5.133 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1CCCc1ccccc1 409143504 CHAOINMAUNXIOV-RCCKNPSSSA-N 410.514 5.095 10 40 HKCB CCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21 1816398 RRSXTIKDEOJZEX-NDENLUEZSA-N 401.039 7.283 10 40 HKCB O=C(O)CCC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(Cl)cc1 2565032 YXAVHSGKSACKKW-UHFFFAOYSA-O 408.330 5.618 10 40 HKCB CC(C)N(C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C 4697727 XLEPURHSHRWTKY-UHFFFAOYSA-N 407.517 6.348 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1Cl 4738993 GEVPSOQVSBTABD-NBVRZTHBSA-N 402.837 5.720 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1CCc1ccccc1 9188663 MBFXQKGFENOMNP-XLNRJJMWSA-N 401.556 5.798 10 40 HKCB CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCOCC2)cc1 19419687 XXYCFYHVQMQCTD-DEOSSOPVSA-N 424.629 5.475 10 40 HKCB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218677221 IFKFNWJLHUFGQD-KURKYZTESA-N 400.950 5.221 10 40 HKCB O=C(Oc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736061 CNWBYNXOGMGCLA-QTEQDKRBSA-N 401.893 6.386 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccc(O)cc1 408756409 ZKJMZKRMHHQOLE-LFVJCYFKSA-N 408.432 5.519 10 40 HKCB CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 856837 AGYVFTAWGSGZBJ-MHZLTWQESA-N 422.613 5.408 10 40 HKCB biogenic CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3[C@H](C)CCC[C@H]3C)c12 1760210 BCKXDTKOBAGXQL-IAGOWNOFSA-N 407.510 5.745 10 40 HKCB biogenic CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12 8430010 DVKGAPHIKAHATG-UYRXBGFRSA-N 420.310 5.629 10 40 HKCB CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 9144561 JNLOGMMXZDOACY-KREXOYDUSA-N 419.293 5.283 10 40 HKCB CN(CCc1cc[n+](C)cc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 18028773 DUIJBGCMPXIBJJ-WCWDXBQESA-N 410.885 5.167 10 40 HKCB CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 96035500 FHSXNCVKQJRZBM-DEDYPNTBSA-N 404.516 5.204 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)CC1 219298667 LPBOUJLOGQFPLA-SFTDATJTSA-N 408.586 5.691 10 40 HKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)O2)cc1 408756666 SDALQTMIDGODPV-HAHDFKILSA-N 413.517 6.091 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc21 409331189 MMWBMTTWEVKPNZ-BKUYFWCQSA-N 400.528 5.737 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC 409348119 RJTBSQVRQFVQSN-WOJGMQOQSA-N 417.577 5.222 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1462127 VHEDJQFNTKKAHK-GDNBJRDFSA-N 408.342 5.320 10 40 HKCB CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1Cl 2160097 DCOWMEBLEIGSFX-UHFFFAOYSA-N 418.320 6.289 10 40 HKCB COc1ccc(N/C=C/C=C/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 2520682 CQGIAKZJJVZZJA-RBGJBGCGSA-N 408.548 5.121 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccc(O)cc4)=NC3=O)cc2)cc1 8411634 SDDQXHIZCAZEBR-HYARGMPZSA-N 416.502 5.362 10 40 HKCB Cc1cccc2c1N(C(=O)c1ccc3c(c1)C(=O)c1ccccc1C3=O)[C@H](C)C[C@H]2C 41107695 JTSKATXJHQUZCP-IAGOWNOFSA-N 409.485 5.313 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc2[C@H](C)CC1(C)C 208310658 SEBDVFCKSAOWTB-VVRYKASASA-N 419.594 6.190 10 40 HKCB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225664058 NVFULVVJLKOYBF-OAHLLOKOSA-N 403.979 5.387 10 40 HKCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)o1 408743396 SQNOVBQXDGTWDF-LFIBNONCSA-N 403.390 5.153 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 409021976 BHXQEADFSXVRIS-CAOOACKPSA-N 419.890 5.100 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 409385664 IYEUPIGUMXVXNV-BOPFTXTBSA-N 421.802 5.236 10 40 HKCB Oc1cccnc1N[C@@H](c1ccc(Br)cc1)c1ccc2cccnc2c1O 49565000 DHWYBHIHZZDTBZ-SFHVURJKSA-N 422.282 5.005 10 40 HKCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 409329795 IJGBNHMUXPDLCB-WQRHYEAKSA-N 419.955 5.543 10 40 HKCB COc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCCCC2 729099 NKVJTHZKSFHVOJ-UHFFFAOYSA-N 410.539 5.791 10 40 HKCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 5477567 JTOLJTSEHRMDKZ-KPKJPENVSA-N 405.875 5.826 10 40 HKCB Cc1cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(F)cc1 5986606 PHZRDQFERYOHQK-UHFFFAOYSA-N 409.501 5.176 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1 8425375 DRLQEIQFMLWSMR-FXBPSFAMSA-N 423.899 7.071 10 40 HKCB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 15729626 IQTIUDNZAJTEMJ-UHFFFAOYSA-N 422.337 5.133 10 40 HKCB Cc1cc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)c(C)n1-c1ccccc1 89580018 LTTPTMSTWUDKPX-UHFFFAOYSA-N 409.461 5.748 10 40 HKCB COC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1OC)[C@H]1CC=C[C@@H]21 408736643 YPWDPPFHTFGBTA-ZQGRQUNCSA-N 414.299 5.071 10 40 HKCB COc1ccc2c(c1)c(=O)oc1cc(OCc3ccccc3Br)ccc12 1096520 OKAVXNLFQCTNJI-UHFFFAOYSA-N 411.251 5.296 10 40 HKCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@H]2CC)c1O 2286047 YUNACLYNVFWEMY-MRXNPFEDSA-N 412.555 5.257 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)c(OC)c1 5513222 ZSHIVLUNYAAERT-FYJGNVAPSA-N 418.880 5.192 10 40 HKCB COc1ccc([C@H](Nc2ccccn2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 5714724 QQHYEOPHRYYZCV-DEOSSOPVSA-N 418.581 6.592 10 40 HKCB in-vitro COc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 16216276 NNOKUDVNXTVZGY-OVCLIPMQSA-N 424.330 5.044 10 40 HKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 17242892 KYXCEFWBIJQCAE-UNOMPAQXSA-N 411.935 6.314 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 32916746 ZXFVMHVBWGGGPC-ZHZULCJRSA-N 400.434 5.054 10 40 HKCB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)CC(C)(C)CC1=N2 102725715 YEMRMIQTWSCFHZ-QFIPXVFZSA-N 415.493 5.442 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)CC1 218498753 YUFQEDKYQBCWBO-IBGZPJMESA-N 412.533 6.313 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222827964 MEVALEWKRXZKSP-BJKOFHAPSA-N 418.610 5.432 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222879066 YFHNWRUXIWYWRG-RPWUZVMVSA-N 418.610 5.488 10 40 HKCB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 225621443 JIVLOFGRMLRNIV-SJORKVTESA-N 415.375 5.105 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(ccc5ccccc45)[C@@H]4C=CC[C@@H]43)cc2)cc1 408736033 BDZUXTBNLGWBAL-XQFUHLNNSA-N 417.552 7.554 10 40 HKCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408755760 FIFYDEBSYYVEHG-PCLIKHOPSA-N 420.516 5.757 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 4728026 UPZQBMUNPBQUAC-OGHNNQOOSA-N 404.691 5.627 10 40 HKCB COc1ccc(Br)cc1[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 6304531 BDNLEIWCPBBREO-NJSLBKSFSA-N 424.260 6.303 10 40 HKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 33293950 ZGMNMBBPQYLJIG-NDENLUEZSA-N 419.458 5.190 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 58851338 SAQDJMFCSRHESP-VBHSOAQHSA-N 408.712 6.260 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Br)cc2)cc1 59229240 ZPMLBCADUQBFKS-CPNJWEJPSA-N 407.267 5.185 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 225377799 YAZVCGOMWQFNAT-QGZVFWFLSA-N 419.396 6.040 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccc4ccccc4c3)cc2)C1 260619363 KGVUORDUPXOKMG-PMACEKPBSA-N 402.538 5.332 10 40 HKCB S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCC1 408735430 PWVQAIFGLKYJEK-UHFFFAOYSA-N 423.541 6.239 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 408738416 KOHKPBDEDAQQTJ-XSFVSMFZSA-N 412.445 5.383 10 40 HKCB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1C 2627636 VWYHTDBZMBZZDU-UHFFFAOYSA-N 416.550 5.173 10 40 HKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)o1 15011762 VEHVLXZMSLMJJI-XDHOZWIPSA-N 405.435 5.246 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 59462519 KPPXXRMLQPTCAB-LDADJPATSA-N 402.972 5.592 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl 260613102 CSRXDSCKKDAVTL-QXAKKESOSA-N 414.977 5.529 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1 408755488 NZGVDAXUTCBMKP-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408895647 UZSFUKHTULUJRF-GDNBJRDFSA-N 422.695 5.524 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 409339244 GBTRMEVBEKIFBT-UNOMPAQXSA-N 414.983 5.654 10 40 HKCB CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S 1181685 VGRHPEBBSYBJRH-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 4551583 QAUMCNATMWCHFE-FQEVSTJZSA-N 411.288 5.691 10 40 HKCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1O 15930218 MKXUBQJWZFRVPX-VIZOYTHASA-N 424.806 5.269 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 144208955 JJBMKHYPOZLDCV-NDENLUEZSA-N 408.910 5.988 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3F)N21 222678709 ZJMCPLRVEFZCCZ-WQTXXOFMSA-N 410.562 5.190 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408759083 XPGQWOQTOWYHOK-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)c1 9658914 OVLRTQWQSRPWOV-UHFFFAOYSA-N 422.485 5.140 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1cccc2ccccc12 14132507 WTGTWELUTFYSPP-XQNSMLJCSA-N 414.530 5.677 10 40 HKCB O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 59514498 NAVRUXPDWCLSKU-BOPDVPAVSA-N 402.884 5.210 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ncccc4C)c3C)N21 222703531 WEOKKAXNFPVBRL-BVYCBKJFSA-N 417.582 5.172 10 40 HKCB CC(C)COc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408736172 JLAORRPFCANTTC-QQNWGBJXSA-N 411.545 7.340 10 40 HKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4321245 AVJMLGPBLBABFW-BVMUCEKZSA-N 415.508 5.897 10 40 HKCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 4817283 LFJRRMWGJUWZMX-WTOJCKNJSA-N 405.281 6.127 10 40 HKCB Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 4819983 CFOBYBNYQNJSTR-QGZVFWFLSA-N 423.516 6.328 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 12385128 DQXWFOCJQYKYMF-OEZJKNOUSA-N 406.957 6.181 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 59425976 QMFCKMGDCNIFGI-UVTDQMKNSA-N 413.256 6.243 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 100814292 DYRIQPWQYDZHJE-RCCKNPSSSA-N 410.502 5.407 10 40 HKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCN1C(=O)Oc1ccccc1 409000031 DMUHHOOSZFIRRS-PLFNIDSXSA-N 414.465 5.704 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1 409122728 BBSYRQDLIFTJBF-OEAKJJBVSA-N 422.594 6.328 10 40 HKCB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccccc1 703404 BOKXIAHAEKGQSS-UHFFFAOYSA-N 419.575 5.563 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(Br)c1 1254566 RCIYRKIGLAIKMP-PXNMLYILSA-N 415.337 5.336 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 2278296 JELHFTFGKROALM-UNOMPAQXSA-N 411.935 6.314 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 3768756 KOWYIBFYWMUHOQ-LFIBNONCSA-N 420.353 5.254 10 40 HKCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br 4621891 GAUPIIKIGYLTQB-AQTBWJFISA-N 412.331 5.101 10 40 HKCB CCCCCC[C@@H](C)Oc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O 33752526 YBKLMUHJYNRZJX-FDIDITGRSA-N 408.951 5.184 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC)c1C 222783198 MSMIKFOHSPNAQU-PKTZIBPZSA-N 404.583 5.044 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(F)c1 222828700 RLKYJSSVPABJHR-YADHBBJMSA-N 408.546 5.009 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222879539 PBQBPOKTXVCCCF-UPVQGACJSA-N 418.610 5.488 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc(Cl)cc3Cl)cc2)C1 260897690 KBKHQTNOONUUFY-IRXDYDNUSA-N 419.396 6.040 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Cl)cc1 408759915 NZYVDUJYEDLMPA-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 408986986 UGRGWYHLCLSPSF-HKOYGPOVSA-N 409.529 6.680 10 40 HKCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 871772 DHDYXANJRQUVLF-MZKRTTBSSA-N 407.535 5.184 10 40 HKCB CCN(CC)c1ccc(N2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1 1806770 DZBFOKKMILMDNG-AMQBKCJUSA-N 408.592 5.885 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 5724775 KGWPRAQWNUZDEB-UYRXBGFRSA-N 401.422 5.278 10 40 HKCB CCCCN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 9188384 KVOKYFABKOHYCV-GHRIWEEISA-N 405.629 5.989 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 9188431 MRACKSYNTQBOBV-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB c1ccc(/N=N\[C@]2(c3ccccc3)CCC(c3ccccc3)=NN2c2ccccc2)cc1 104133835 QCBOTJNLDYEQMU-PJSBKICYSA-N 416.528 7.328 10 40 HKCB C[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 225666066 FEPQAJDJYURQKV-LJQANCHMSA-N 423.626 6.046 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260769202 KNPGEDYTPPOVFM-FCHUYYIVSA-N 406.599 5.094 10 40 HKCB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(F)c(Cl)c1 408770627 ZRMGWOIGIDDWAI-UHFFFAOYSA-N 417.864 5.030 10 40 HKCB Cc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C 408901449 FHKXVLCHWNRWLP-KGENOOAVSA-N 404.560 5.808 10 40 HKCB COc1ccc(Br)cc1[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 6297610 BDNLEIWCPBBREO-KSMMKXTCSA-N 424.260 6.303 10 40 HKCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(C3SCCCS3)cc2)cc1 12543114 QMPIPINOINCMIF-UHFFFAOYSA-N 414.640 5.674 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1c(Cl)cccc1Cl 33818227 XAQLFAVDGOCUEF-DTQAZKPQSA-N 409.268 6.767 10 40 HKCB O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccccc1 59418066 NLZSTJFWMNBCPR-KGENOOAVSA-N 421.518 5.811 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 112289387 FNHWYAQPEXJESQ-QNGOZBTKSA-N 422.529 5.044 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)CC1 219298698 LPBOUJLOGQFPLA-LEWJYISDSA-N 408.586 5.691 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(OC)cc2)cc1 408753630 GXOXYFDANSEAJP-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1 408985838 NOXWYEZRRKUKIC-QGOAFFKASA-N 422.311 6.473 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1Cl 2221873 RQDIHNTUMNNYNM-UHFFFAOYSA-N 412.869 5.063 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 8411970 OXNQODDWVLGEPU-UNOMPAQXSA-N 405.435 5.246 10 40 HKCB Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 8819658 NXTSYCULKHNSGV-SILNSSARSA-N 424.591 5.395 10 40 HKCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15034443 DEEPUUXMQPURFK-CYVLTUHYSA-N 411.548 5.200 10 40 HKCB CCCn1cc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)c2ccccc21 33332560 UHUYHDXQGCZDHA-MOSHPQCFSA-N 417.534 5.340 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)CC1 44854072 QLKRPEYUXPNZIT-QFIPXVFZSA-N 419.613 5.400 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)c1 59109535 LZWFCRYQHOAEQM-HYARGMPZSA-N 419.525 5.346 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)SC1=S 108984002 XBPZMVCLBPKVRN-HYARGMPZSA-N 419.571 6.341 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 260591929 NQXGLBANFGZTMA-FCHUYYIVSA-N 419.613 5.325 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13140421 XFGYWZZFLOUEQF-JCTONOIOSA-N 412.599 5.103 10 40 HKCB O=C1N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N1c1ccc(F)cc1 20238559 LPISUVFRJZTLAM-ATVHPVEESA-N 414.458 5.350 10 40 HKCB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)oc2c1 28293816 OCPNMJGLTIKQSF-JOCHJYFZSA-N 420.553 5.245 10 40 HKCB CCN1c2cc(C)c(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2[C@H](C)CC1(C)C 208317268 XCCNBZMUCONUNG-VVRYKASASA-N 419.594 6.190 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)CC1 219058678 AEJSBKFGHBZCBI-MSOLQXFVSA-N 400.950 5.221 10 40 HKCB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225704319 GLTYJHCLTQXTJH-IBVKSMDESA-N 420.597 5.591 10 40 HKCB COc1ccc(C(=O)c2ccc(F)cc2)c2c(O)ccc(C(=O)c3ccc(F)cc3)c12 670417831 ONZRCFRFAYJUER-UHFFFAOYSA-N 418.395 5.294 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1800687 QMQZDAOMWFWMOL-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CCOc1cc(C)c(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc1C(C)C 6958373 OKJLVDWZLVXFNI-IBGZPJMESA-N 403.569 5.082 10 40 HKCB Cc1cc(Cl)cc(CN(Cc2ccccc2)Cc2cc(Cl)cc(C)c2O)c1O 90484385 ZBDNFJXIJSYUAM-UHFFFAOYSA-N 416.348 6.224 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219324211 SFDACWXRRJNGDG-MBSDFSHPSA-N 414.977 5.611 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(C)cn4)c3C)N21 222703994 RAQSTVRIUQGFTC-CDNPAEQRSA-N 417.582 5.172 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222879998 QTFROVROSSTUEU-DNQXCXABSA-N 418.610 5.488 10 40 HKCB CN1C(=O)/C(=C/c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2ccccc21 409193595 HKQGBTVWZBGDNS-XQNSMLJCSA-N 412.464 5.376 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)SC2=S)c1 409350427 RNZALQURDCXNRG-UNOMPAQXSA-N 410.589 5.614 10 40 HKCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1Cl 1265317 KSPANLMQVCFGIU-PTNGSMBKSA-N 422.984 5.022 10 40 HKCB Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1C 4712921 RMCWHDHXBHEBHF-SWJOHRQSSA-N 416.352 7.249 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7097048 WQHYDXHDMTWESQ-HFMPRLQTSA-N 402.335 6.943 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219368278 WMDAPEUCRJBNAH-JLGINSKQSA-N 408.586 5.575 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4c(CC)cccc34)SC2=S)cc1 409329779 HWSZOFFSOWOIAZ-UNOMPAQXSA-N 408.548 5.535 10 40 HKCB COc1ccccc1-n1c(-c2ccc(Br)cc2)cc2c1CC(C)(C)CC2=O 752976 XPNWTMFHRKDGLM-UHFFFAOYSA-N 424.338 6.071 10 40 HKCB COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccncc2)sc2c1CCC2 920878 BXLULGVBMNUVFA-UHFFFAOYSA-N 413.930 5.158 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1 924768 YQSNKBHIBFEIDS-UHFFFAOYSA-N 421.497 5.370 10 40 HKCB CCOc1ccccc1C(=O)N(Cc1ccc(N(CC)CC)cc1)c1ccccn1 28291392 JZXKSMGXPQLSEO-UHFFFAOYSA-N 403.526 5.174 10 40 HKCB C[C@@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1nc(-c2cccnc2)cs1 78823237 LWWNIBASHVTHCU-MRXNPFEDSA-N 423.626 6.357 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 206207896 SOONQQGWPOBFQP-LDADJPATSA-N 419.955 5.543 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 409157063 OUSGSBONBZSZBZ-JKIFEVAISA-N 423.123 6.177 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 409158796 LUAHFXPNLUDLMM-VFVRVIDISA-N 401.260 5.192 10 40 HKCB O=C(OC1CCCCC1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 5024950 HMJZOWULXOKDED-HFMPRLQTSA-N 407.941 6.656 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2)SC1=S 6884783 ADLROLKERNBSLQ-FBMGVBCBSA-N 405.585 5.483 10 40 HKCB O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1cccnc1 7166125 GSVJRDQMZZTQCM-MOSHPQCFSA-N 404.516 5.066 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)SC2=S)cc1Cl 9188651 BUWASFSOUGSTSF-BKUYFWCQSA-N 421.974 6.721 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100323158 QOWHYLNQAXSECL-XDJHFCHBSA-N 401.422 5.441 10 40 HKCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219611072 FVMDZWAMAHMPDL-FDDCHVKYSA-N 414.977 5.611 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222790525 JHOBTVKCGVVUHL-UPVQGACJSA-N 418.610 5.407 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(F)c3)C2=O)cc1 408987278 VTRFIRLMKQLTDG-XMHGGMMESA-N 419.883 6.349 10 40 HKCB COc1cc(Cl)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O 4785256 WICNLJAPEFWECX-MGNBDDOMSA-N 420.962 5.696 10 40 HKCB COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4975177 PXIYOTCBALVQRI-JMERFSKESA-N 406.309 5.846 10 40 HKCB C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cc(F)cc(F)c3)c2C1 34865192 QHYQJALLDLWZSC-LBPRGKRZSA-N 416.265 5.950 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 222970601 LQYOJZCCCQWQCW-IZIIKQMZSA-N 408.586 5.575 10 40 HKCB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408999275 QLFQDILEVXAIOA-QUNNOBFSSA-N 402.454 5.355 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 409137342 VWKCBHGVUVVQHI-FYJGNVAPSA-N 412.530 5.850 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccccc3)c12 409146170 KAJYDWKFWDXOAZ-MOSHPQCFSA-N 406.576 5.473 10 40 HKCB COc1ccc(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1 798212 XQGDVMWYWQHYKH-UHFFFAOYSA-N 408.523 5.118 10 40 HKCB CCCCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2c2ccccc2)SC1=S 8425095 DDCPBMKKBSCABF-JXTQQTEDSA-N 424.616 6.316 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1 20705926 TVJLOTKNPXJXGH-PSTGCABASA-N 405.679 5.837 10 40 HKCB CCN1/C(=C2\C(=O)N(c3ccccc3)N=C2Nc2ccccc2)C=Cc2ccccc21 100487268 LUUCQXGRDYPNRB-VHXPQNKSSA-N 406.489 5.266 10 40 HKCB Cc1ccc(/N=N\c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(=O)O)cc2)cc1 108312779 LQVQITPIEJBWJQ-VHXPQNKSSA-N 404.382 5.269 10 40 HKCB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)O)o1 408632081 NDOAOWCZGZNYRW-APSNUPSMSA-N 424.309 5.310 10 40 HKCB Cc1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1F 408739072 SOGYERBHEZLMJR-XMHGGMMESA-N 400.409 5.514 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Cl)cc2)c1 408764347 REGNSTAFPZVDNC-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C 409124305 AVUSDKSOVLMAQJ-HYARGMPZSA-N 422.594 6.328 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)cc3)SC2=S)c1 409347804 RFPBOJHWBJQQCJ-WQRHYEAKSA-N 401.578 5.602 10 40 HKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 7096108 RNSCSHGUBZRHLT-ZYLNGJIFSA-N 414.530 6.714 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)SC1=S 33707795 ZGXJLDBJGNYRHL-ZHZULCJRSA-N 413.612 5.161 10 40 HKCB Cc1ccccc1C=C1C(=O)N(c2ccccc2C)C(=O)N(c2ccccc2C)C1=O 59484127 HMROOKOMEHHLBE-UHFFFAOYSA-N 410.473 5.195 10 40 HKCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl 223361987 WBTIEZWPFNBDOD-QGZVFWFLSA-N 400.950 5.466 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)C1 260735188 FXZKYCKXLHQPQO-HOTGVXAUSA-N 421.532 5.989 10 40 HKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1ccc(-c2ccccc2Br)o1 12630374 ZAVSURCFVVPGAN-UYRXBGFRSA-N 421.294 5.824 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 13547595 SIPFRMLYKSFYCH-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 408801271 UOXIHHPGSNVFGY-UHFFFAOYSA-N 422.961 5.819 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 409157885 QLXNZCCFGOZVSM-MVERNJQCSA-N 418.005 7.767 10 40 HKCB O=[N+]([O-])c1ccc(O)c(CN(Cc2ccccc2)Cc2c(O)ccc3ccccc23)c1 1686485 QWDBURTULXBASO-UHFFFAOYSA-N 414.461 5.362 10 40 HKCB CCCCOc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2115764 XKTAJHYMGIAHKN-UHFFFAOYSA-N 401.462 5.482 10 40 HKCB biogenic O=C1N=C(O)/C(=C/c2ccc(N3CCCCCC3)cc2)C(=O)N1c1ccccc1Cl 9361362 GOBKWJVIYZSQPB-SDXDJHTJSA-N 423.900 5.227 10 40 HKCB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 10687362 JNLPUKIWJQOGTE-OCEACIFDSA-N 421.522 5.436 10 40 HKCB CN(Cc1ccccc1O)C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 72309682 GRWAGPLNHARCHS-UHFFFAOYSA-N 411.502 5.120 10 40 HKCB C/C(Nc1cc(Cl)ccc1Cl)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103920930 ZTQYYLLXJNXDJR-QNGOZBTKSA-N 422.315 6.130 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)ccc1Cl 6971346 WEVPXBSNJYPFKD-JKDFXYPNSA-N 405.679 5.837 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 20598185 UPZQBMUNPBQUAC-AHIWAGSCSA-N 404.691 5.627 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N(C)C2CCCCC2)cc1 100507479 XVSZMCBZMFMXMW-OCEACIFDSA-N 422.529 5.116 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 218088603 RXPOYRQMSIBIPC-SFHVURJKSA-N 417.018 5.936 10 40 HKCB Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 250503978 JXXWIOYNNSLFEY-YZIHRLCOSA-N 416.351 8.126 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(F)cc2)cc1 408756351 ZCAGHMQONRZBRS-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2)cc1 408766041 ODQAKWSSKJPJAN-XIEYBQDHSA-N 404.469 5.683 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408769524 NKYJVBVBPGWZCY-DHDCSXOGSA-N 406.240 5.010 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3SC)C2=O)cc1 408984164 FKHGFRAQBRZZCB-HEHNFIMWSA-N 413.542 6.279 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409231063 IADVSRLIGVQOGO-CIAFOILYSA-N 419.912 5.149 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1OCC 2263002 DIDZBZDXWNMKHJ-OQKWZONESA-N 412.489 5.319 10 40 HKCB CC[C@@H](Nc1nc(COC)nc2scc(-c3ccccc3)c12)c1ccccc1O 72277406 GLLXYSCIFIDYJR-GOSISDBHSA-N 405.523 5.774 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)ccc1Cl 409155761 MTOYBERLNBHKHU-RVPKQNPDSA-N 406.225 5.636 10 40 HKCB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409344396 JBOMIGBSXBPRLD-NVNXTCNLSA-N 424.330 5.186 10 40 HKCB Cc1cc(-c2csc(NC(=O)CCc3ccccc3)n2)c(C)n1-c1ccccc1 6831516 PSDYREMVKMIVPS-UHFFFAOYSA-N 401.535 5.789 10 40 HKCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 7378523 GWLVNDWWMBSNBU-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 27549210 BQEQMGMYNDICTA-PALNNIJKSA-N 424.551 5.549 10 40 HKCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 34144990 FQSNEXBLGOXXND-HHHXNRCGSA-N 406.529 6.185 10 40 HKCB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1 224595344 ZGQIZSVZXVMNJP-MRXNPFEDSA-N 420.981 5.580 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 225156599 PQWAFNUCINPEGW-UHFFFAOYSA-N 422.956 5.695 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)o1 409338432 JTADCRIQOHXQLB-NTUHNPAUSA-N 414.733 5.410 10 40 HKCB CCOc1cc(/C=C2/C=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 981620 LOLQBFXGDFJOSS-UYRXBGFRSA-N 404.487 5.707 10 40 HKCB c1ccc(Nc2scc(-c3ccc(-c4ccccc4)cc3)[n+]2-c2ccccc2)cc1 2243778 UOYNBGLIVSZTPY-UHFFFAOYSA-O 405.546 7.102 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(F)c2)c1C 5524194 KPKAXCJCWRVQBJ-JJFYIABZSA-N 407.876 5.693 10 40 HKCB CCCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804323 ZRMLYBGWEWXDIU-UHFFFAOYSA-N 406.526 5.367 10 40 HKCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 7275647 DPUZUDFDNMSMOM-UNOMPAQXSA-N 410.882 5.691 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 9309762 AISFBAYOWBANSV-ROQGJMCKSA-N 417.321 5.178 10 40 HKCB Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 15010270 FJTCFEAMBYDOLB-XKZIYDEJSA-N 420.509 5.778 10 40 HKCB CCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 40005916 GQLQDBBJHOGHMS-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 225360539 BQWPVBYPMSAMOR-QGZVFWFLSA-N 419.396 6.040 10 40 HKCB Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1Cl 226843944 RYFNMXBLKQIFDF-KSRUKNBBSA-N 419.566 7.780 10 40 HKCB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Cl)cc3)C2=O)cc1 408759558 HBVHFPXRZCJXDJ-DEDYPNTBSA-N 420.827 5.012 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S 409037093 XKXWXBVINGTBFF-ODLFYWEKSA-N 417.983 5.776 10 40 HKCB CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 409329220 CIHGWISZURAMHK-CXUHLZMHSA-N 422.453 5.070 10 40 HKCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)c3ccc(Br)cc3)c12 1257263 NIKYNRSWDZDVBA-UHFFFAOYSA-N 416.315 5.282 10 40 HKCB Cc1nnc(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)s1 6235901 UOTYSSAUGQUQAV-UHFFFAOYSA-N 411.474 5.248 10 40 HKCB Cc1ccc(C(=O)COC(=O)c2sc3nc(-c4ccccc4)c(C)cc3c2N)cc1 13575508 QGEQROJMDDYOIB-UHFFFAOYSA-N 416.502 5.202 10 40 HKCB Cc1cc(C(=O)[C@@H](Cc2ccccc2)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 58123589 ONCFJBOREPBJSK-JOCHJYFZSA-N 415.364 5.757 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618734 BCYIWDLIGMDTMR-GKVQRAMASA-N 416.594 5.695 10 40 HKCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 408759155 YWXJECMAVIFKIB-CJLVFECKSA-N 401.897 5.241 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409328417 UVGSKHDCOJRIRV-VBEHJTROSA-N 414.508 5.178 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc12 409333773 VRNUKOKEFKEXNN-UNOMPAQXSA-N 422.487 5.162 10 40 HKCB CC(C)n1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409347419 PVFDQMKBSGQXIE-ODLFYWEKSA-N 412.967 6.281 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)Sc2scc(-c3ccc(O)c(O)c3)[n+]21 1636006 MOZHDYKDVPQSDL-SOFYXZRVSA-O 423.322 5.208 10 40 HKCB CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 9311264 SOJAXPQQGIJHHM-HEHNFIMWSA-N 424.500 6.364 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 13942737 HRFUIPSMDKAWJO-TXLZIYAKSA-N 423.472 5.793 10 40 HKCB C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 20233247 JPMBWXPVXZPNGX-CQSZACIVSA-N 406.507 5.150 10 40 HKCB biogenic CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O 27471681 GMYZRMMNYBKANR-FXBPSFAMSA-N 417.619 5.429 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ncccc4C)c3C)N21 222703589 WEOKKAXNFPVBRL-YUXAGFNASA-N 417.582 5.172 10 40 HKCB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 253508481 PGSCVRYPLPSIOE-OWXZZUKZSA-N 423.641 5.510 10 40 HKCB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408737389 ODJPEZJVAXWVLT-AWVRMFGXSA-N 407.513 6.837 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408764775 ADYHKJBDLYKTMU-ZDLGFXPLSA-N 416.304 5.487 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409153201 LSTWTIKCQXIELW-BWACUDIHSA-N 406.225 5.636 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1Br 1303253 RBNUVUJVAHMDLU-SXGWCWSVSA-N 415.337 5.336 10 40 HKCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 2412127 ACVMLEJIZGSMHC-STZFKDTASA-N 421.591 5.430 10 40 HKCB Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccc32)cc1C 3648311 TXNMLKHROGKBMH-KOEQRZSOSA-N 422.528 5.854 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 5219412 DGFBEHNNOLINPG-AFESJLNVSA-N 410.577 5.540 10 40 HKCB O=c1cc(-c2ccccc2)c2ccc(O)c(CNc3cccc(Br)c3)c2o1 8739778 DUGSYONAOVKOOB-UHFFFAOYSA-N 422.278 5.540 10 40 HKCB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 40103368 JPDWYIMZDIDGIE-UHFFFAOYSA-N 408.590 5.181 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 5520193 WAWROSCSARJZGL-DEDYPNTBSA-N 408.910 6.245 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)ccc1NC[C@H](O)COc1ccc(Cl)cc1 6574831 ZVZBGRKGPQPQNH-SFHVURJKSA-N 416.304 5.076 10 40 HKCB O=C1C[C@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12 33743716 DCRGAADTEDREEN-VWZDACTLSA-N 421.456 5.061 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 224038469 XMYFZVHSFLBGFI-RTWAWAEBSA-N 408.586 5.438 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)c1 408754110 PJYWQXCWGNOYEV-KGENOOAVSA-N 406.844 5.322 10 40 HKCB [N-]=[N+]=NCc1ccc(CCSCCSCCc2ccc(CN=[N+]=[N-])cc2)cc1 627276246 QCDZKAFASJAQEF-UHFFFAOYSA-N 412.588 6.559 10 40 HKCB CCCCC(=O)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12 4827321 BZAIAFBCMQZTGK-UHFFFAOYSA-N 406.485 6.699 10 40 HKCB O=S(=O)(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)cc1 6553355 IGBXHGXNXIRGEL-UHFFFAOYSA-N 400.912 5.418 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2ccccc2Oc2ccccc2)SC1=S 6925109 VLRQGCBYESJHCS-RCCKNPSSSA-N 403.528 6.193 10 40 HKCB Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 13943500 ATGZKCMUNKDZFR-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CN(C)c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 51330435 HKJGCWZUJLPCAB-MEBUARIASA-N 407.561 6.554 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(NC(=O)c2cccc(Cl)c2)cc1 100147988 XOGKIEZPSNRRHK-HYARGMPZSA-N 415.880 5.398 10 40 HKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(C)c(Cl)c1 100148740 BNSQTLABNUXPBW-YBEGLDIGSA-N 404.695 5.129 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C)c3C)N21 222694804 IPUJLXDQHDXNGI-WDJPJFJCSA-N 416.594 5.777 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408998928 JKBAUAILPPXIGY-KGENOOAVSA-N 423.299 5.837 10 40 HKCB COc1ccccc1[C@]1(CCNCc2ccc(N(C)C)cc2)CCO[C@H](C(C)C)C1 5370642 PXFJASQJVKMLPY-IZZNHLLZSA-N 410.602 5.014 10 40 HKCB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6259743 LMDVJGUYJDJPOX-OCOZRVBESA-N 406.467 5.014 10 40 HKCB O=c1oc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2cc1-c1nc2ccccc2[nH]1 7342803 MIPYQHAVFMYQEI-OCEACIFDSA-N 411.377 5.660 10 40 HKCB [O-]/[N+](=N\c1ccccc1)c1ccc(/N=N\c2ccc(/[N+]([O-])=N\c3ccccc3)cc2)cc1 100368951 PJPSEMFRNAXBJQ-YBBPUISWSA-N 422.448 7.953 10 40 HKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 223495513 LCINHWPYZHMQAE-HMAPJEAMSA-N 415.537 5.190 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)C1 260892954 FPODJUDWZCCQJD-IRXDYDNUSA-N 419.396 6.040 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1 408871395 YXUOESQQKWURHW-KCYKTTMJSA-N 422.440 5.197 10 40 HKCB CCCN1C(=O)/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S 409350760 YYTBOEIGWYJUDG-FYJGNVAPSA-N 424.566 5.748 10 40 HKCB CCN(CC)c1ccc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c(=O)oc2c1 1650064 TTZROTFCBLJUBO-UHFFFAOYSA-N 419.550 5.496 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4513295 SSWHUEHHYRFWSO-DRSNIGMVSA-N 415.364 6.302 10 40 HKCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 13897951 ICVYCSIMZMETLU-HUHIGAQKSA-N 412.902 5.265 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1 35038731 RLSHEBYGPADMNR-KNTRCKAVSA-N 419.612 5.792 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)CC1 219058598 AEJSBKFGHBZCBI-ZWKOTPCHSA-N 400.950 5.221 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc(F)c1 409149087 XBRJCXLYFYZWFT-CIAFOILYSA-N 412.530 5.850 10 40 HKCB COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 409184848 OLJIRWFMBPEWOK-TYILLQQXSA-N 420.734 5.946 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409345322 LCOKJLCATRCOFX-STZFKDTASA-N 405.544 5.953 10 40 HKCB CN1C(=O)/C(=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S 1181039 IFBQRPBMUMZTHM-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB CCc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 5371934 SAQOQDOERLTGOW-WJDWOHSUSA-N 404.354 5.417 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 6630101 CICSZTQJNSSQCP-UHFFFAOYSA-N 403.457 5.732 10 40 HKCB CC(C)COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 6804325 LXUSKDRZKJTXGK-UHFFFAOYSA-N 406.526 5.223 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S 20324773 UCSJMYSDBWKEPC-UYRXBGFRSA-N 423.584 6.286 10 40 HKCB CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208326621 KOEJRTSIBRUHDV-QWQBBLJPSA-N 417.553 5.200 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)cc21 260784161 VBWPSUMULGCJGI-XZOQPEGZSA-N 420.626 5.342 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(Cl)cc3)cn2n1 1386196 IQLNMLQZGBKTIP-UHFFFAOYSA-N 404.926 6.186 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccccc2)SC1=S 1669962 KTRAWKDBDIDDDZ-OKPNHQCWSA-N 415.539 6.092 10 40 HKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 16250046 UAHKSRRXJNYYCS-UNOMPAQXSA-N 420.852 5.413 10 40 HKCB O=c1c(-c2ccccc2)coc2c(CN3CCCC[C@@H]3c3cccnc3)c(O)ccc12 27100499 NSGCFKWFBQELNH-HSZRJFAPSA-N 412.489 5.288 10 40 HKCB biogenic COc1ccc(NC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 33039430 HLBMPAZGFPSSSW-HMAPJEAMSA-N 417.534 5.494 10 40 HKCB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C(C)C)cc2)C(C)=C1C(=O)OC 58884044 ZTTGRWKTYWQHPU-QNGOZBTKSA-N 405.494 5.086 10 40 HKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1 112125931 RRPGJZGPJFAEMN-YVLHZVERSA-N 405.241 5.010 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)C1 218677077 IFKFNWJLHUFGQD-KZNAEPCWSA-N 400.950 5.221 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222783523 QFYUGRIGOVWXKP-XZOQPEGZSA-N 404.583 5.044 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 409189904 KIGNCEZVJZSXEU-LDADJPATSA-N 402.878 5.320 10 40 HKCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C 1180027 SBLMAVIZEQEHSF-YVLHZVERSA-N 419.955 5.067 10 40 HKCB CCOC(=O)c1c(NCc2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 2060243 QFOFOIDWPRBIGX-UHFFFAOYSA-N 400.327 5.428 10 40 HKCB Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 6044085 QOEIODXPCHCUMV-XFAFFCHDSA-N 415.964 7.362 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@](O)(c3nc4ccccc4s3)C(F)(F)F)c2C)cc1 12619456 VPIYPLIUHCGJQI-OAQYLSRUSA-N 416.468 5.810 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 33912684 WFNDSMKQYGJFEI-WOJGMQOQSA-N 419.955 5.543 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 113835505 DFGORJQZLATCPA-PCLIKHOPSA-N 405.501 5.804 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCC4)cc3)cc2)C1 260455442 QRULUJQEAMSRMI-SFTDATJTSA-N 405.586 5.010 10 40 HKCB Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 3271328 WRPOSJZXFIXRKT-SANMLTNESA-N 409.485 5.875 10 40 HKCB Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(C)n1-c1ccccc1 3325144 UXPJLLMZNKDYFD-UHFFFAOYSA-N 418.537 5.078 10 40 HKCB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216032 IJRHJQJXMMJUEF-VGOFRKELSA-N 410.857 5.280 10 40 HKCB CCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 31842168 YCJUTXVRWALBRT-PNZWKLPWSA-N 416.915 5.113 10 40 HKCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12 41084891 RTTPILCNHQSEPO-ZTPJVXOPSA-N 405.527 5.148 10 40 HKCB Cc1cc(Cl)cc(CN(Cc2ccccc2)Cc2c(O)ccc3ccccc23)c1O 90484381 UEXPFINZZGEJOO-UHFFFAOYSA-N 417.936 6.415 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 101147824 CJDVXNWSHASYPB-REJRFELZSA-N 403.909 5.933 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)cc2)CC1 222602893 BVEFENCBLVZBTO-LEWJYISDSA-N 420.597 5.446 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(C)C 409332998 UJBVADWWQLWCMP-NDENLUEZSA-N 413.564 5.444 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 59435721 DEKFTRUJBDXUFC-MOSHPQCFSA-N 419.864 5.076 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578076 VKAAISMKJDIDEC-RBUKOAKNSA-N 402.538 5.576 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1 408986014 OMJKFGSDFCRDAS-HAVVHWLPSA-N 409.485 5.759 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 409154264 OEGUCIMKOUDTTM-LBTNJELSSA-N 407.819 5.972 10 40 HKCB O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 14477974 OESCYOPBCJNBJJ-JCGVRSQUSA-N 418.234 5.026 10 40 HKCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1c(F)cccc1Cl 38205183 TUSQYJAUVNADSR-AQTBWJFISA-N 421.855 5.510 10 40 HKCB CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@@H](c3ccccc3O)C2)cc1Cl 80325340 JGTCXKHOPWHMJT-DAMWEWLOSA-N 414.933 5.270 10 40 HKCB C#CCOc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1Cl 107740796 DMZPSAOKHSZQQV-BOPFTXTBSA-N 403.290 5.088 10 40 HKCB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 217907172 BMIVKTPKLKEPEV-HARXRPJJSA-N 417.380 6.120 10 40 HKCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 970653 WCJQSMQMKNNZJC-LZYBPNLTSA-N 404.438 5.593 10 40 HKCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 6367868 SLZAKYAWBJBVEP-WCWDXBQESA-N 404.426 5.433 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)SC1=S 6418182 KFRNLXDXVSIXKB-PXNMLYILSA-N 411.379 5.622 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 28289438 WCGIKARQMIVIOE-UHFFFAOYSA-N 423.944 5.193 10 40 HKCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 58928739 OMXFBHJXMKYEBU-MMOPVJDHSA-N 420.306 6.127 10 40 HKCB O=C1/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC(=S)N1C1CCCCC1 113830669 WZHYTOBAUYCKES-WUXMJOGZSA-N 422.786 5.886 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408765611 YYVORDQLKSNVCR-KGENOOAVSA-N 423.299 5.837 10 40 HKCB Cc1ccc(NCc2cc(Br)cc(Br)c2O)cc1Cl 409114770 LCAIIGGBFMANNH-UHFFFAOYSA-N 405.517 5.491 10 40 HKCB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1-c1ccccc1 3430168 KGUCMSUCVMKUSP-UHFFFAOYSA-N 403.507 5.043 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)SC1=S 6205497 DMWZKUZOEYCASC-PXNMLYILSA-N 411.379 5.622 10 40 HKCB CCOc1cc(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(C)cc1OC 6958482 DPWKQTOHCSGBRE-FQEVSTJZSA-N 421.628 5.144 10 40 HKCB C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17092272 QEQPSUYIBXCBLW-PLRJNAJWSA-N 420.516 5.025 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 223623882 MDGONIQGKBBSMH-RTWAWAEBSA-N 408.586 5.611 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(Cl)cc1 408849083 YPRYHSWPVCKUQO-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl 408894989 SQRPIUNPNPDIRQ-BOPFTXTBSA-N 416.304 5.487 10 40 HKCB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 2233681 GFMBTFDTHOLYRQ-UHFFFAOYSA-N 400.906 5.237 10 40 HKCB COc1ccc(-n2c(C)cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c2C)cc1 22007083 UROZQFKFCUGNTN-UHFFFAOYSA-N 414.889 5.026 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 59267081 UPZQBMUNPBQUAC-XNJGSVPQSA-N 404.691 5.627 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3OC)N21 222679444 ACAKXUSJSLHDFD-JJEOQYAHSA-N 422.598 5.060 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC)c1C 222783320 MSMIKFOHSPNAQU-GOTSBHOMSA-N 404.583 5.044 10 40 HKCB O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 944817 ISOQWYWWIWRDLV-UHFFFAOYSA-N 423.818 5.434 10 40 HKCB O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1cccc(Cl)c1 9310280 IBZGITDQXAFGML-RIYZIHGNSA-N 410.745 5.508 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1 14009397 ZIHILADLONYDHD-UYRXBGFRSA-N 410.951 6.359 10 40 HKCB CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc12 19902460 OCOZOVSIUVGPGL-UHFFFAOYSA-N 413.779 5.025 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 100148843 RIDFQQWQXALMMK-MDWZMJQESA-N 424.671 5.064 10 40 HKCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219611511 QYPORUBECOJKEB-PMAPCBKXSA-N 414.977 5.611 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1Cc1ccccc1 408605879 ZBMRUXURQJGUKF-ODLFYWEKSA-N 413.470 5.626 10 40 HKCB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Cl)cc2)c1 408765946 SAKOSHKFNLCDGD-UDWIEESQSA-N 416.864 5.212 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 409150492 BZTZVRMQBZZXLI-CZIZLABSSA-N 405.679 5.837 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 656941 LYPPBXYTSZOSCM-KQWNVCNZSA-N 419.521 5.476 10 40 HKCB Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2cccs2)SC1=S 1669941 IARZUOKHXXVXTN-XLXASQRYSA-N 421.568 6.153 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 8411969 JYALXDNFLVPKDI-UNOMPAQXSA-N 405.435 5.246 10 40 HKCB C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218088783 CYMMHEZUKDWKSO-MSOLQXFVSA-N 417.018 5.936 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)cc21 260769213 KNPGEDYTPPOVFM-YADHBBJMSA-N 406.599 5.094 10 40 HKCB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)CC1=O 408706513 AMNBQQRYEAUBAJ-SFHVURJKSA-N 421.928 5.048 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1c(Cl)cccc1Cl 631853 TZPSYOPGIAPSAG-RAXLEYEMSA-N 406.240 5.010 10 40 HKCB CCN1/C(=C/c2sc3ccc(Cl)cc3[n+]2CC)Sc2ccc(Cl)cc21 4124949 LFTPLWGIWFMVJN-UHFFFAOYSA-N 408.399 6.446 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 59959136 OWIBJPIMXHQGPC-GDNBJRDFSA-N 422.695 5.524 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=N)N12 103563281 WJRZRJKHTMZSJR-RKQNKVCSSA-N 412.518 5.414 10 40 HKCB CCN(CC)c1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 224754612 FFVCTOJBELSKBG-UHFFFAOYSA-N 404.579 5.755 10 40 HKCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Cl)cc1 408535355 SKKBYESXZDXDSS-YBEGLDIGSA-N 404.695 5.129 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 408766310 UGBBBOCAFOKSTA-LDADJPATSA-N 411.230 5.016 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(Cl)cc2)C1=O 408843086 QGJXHSFHAFOVSM-HMMYKYKNSA-N 418.880 5.192 10 40 HKCB OCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1 90443381 OXLGBLZDEPETMH-OCEACIFDSA-N 414.546 5.965 10 40 HKCB CCOc1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1 408734889 LESDPCDBQKMTBM-UHFFFAOYSA-N 419.550 5.749 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21 409157479 QWEOHCABBWTBDN-PSVSLLHZSA-N 417.780 7.204 10 40 HKCB COc1ccc(N2CCN(c3ccc(OC)cc3)C2CCc2ccc(Cl)cc2)cc1 1717328 IICFOLUWRSRDNW-UHFFFAOYSA-N 422.956 5.643 10 40 HKCB Fc1ccccc1[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 4063808 FIVHFHLIFPNXEH-IYWKJSDCSA-N 422.341 6.483 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 5214097 NICXHUPCYXTKHW-SDXDJHTJSA-N 423.575 5.622 10 40 HKCB CC(=O)Nc1ccc(/N=N\c2ccc(/N=N/c3ccc(NC(C)=O)cc3)cc2)cc1 100368300 MOHHIDUYBMLZAV-ZQZMJUSDSA-N 400.442 6.434 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 222999391 KQUYSTBUHNXSPW-OFVILXPXSA-N 408.586 5.575 10 40 HKCB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260619432 LQYOJZCCCQWQCW-LEEZEASISA-N 408.586 5.575 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/C=C(c4ccc5cc(C)ccc5c4)OC3=O)c2C)cc1 408756903 UQLFWYFXOAWZTN-QQXSKIMKSA-N 419.524 6.845 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21 409153053 KRYWZPHHEQEWMU-FHSNZYRGSA-N 424.260 6.303 10 40 HKCB COc1ccc(/C=C2/SC(Nc3cccc(Cl)c3Cl)=NC2=O)c(OC)c1 1838583 RKYKVURXTLWOHG-OVCLIPMQSA-N 409.294 5.093 10 40 HKCB Clc1ccc([C@H]2[C@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4309490 ZRVUUSYPRMGSDR-IEANYPJISA-N 409.960 7.388 10 40 HKCB COc1cc(C)c(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1C(C)C 8333861 OAFQGIBYPZYFAW-OAQYLSRUSA-N 413.608 5.141 10 40 HKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 59459813 LBISAVOEKWFBGO-ZSOIEALJSA-N 411.291 5.307 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)C1 260453329 JQYKLVYBSCLDQJ-RBUKOAKNSA-N 412.533 6.313 10 40 HKCB Cc1c(Cl)cccc1NCc1cc(Br)cc(Br)c1O 409113336 FNVDXNCMQORBKG-UHFFFAOYSA-N 405.517 5.491 10 40 HKCB O=C1/C(=C/C=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 3002920 CMSQBTLPQDJVAX-GUSDSWBTSA-N 416.365 5.407 10 40 HKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(F)c(Cl)c1 9232825 MSKIEDJGSXVJLO-VGOFMYFVSA-N 417.836 5.904 10 40 HKCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccc(Cl)cc1 17044316 BVENCVKUWIWASK-GZTJUZNOSA-N 410.788 5.246 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222826972 QTOYQOUFXJGPDI-GOTSBHOMSA-N 404.583 5.178 10 40 HKCB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 223648680 FPJVFLOGAJPJJM-UHFFFAOYSA-N 406.290 5.025 10 40 HKCB O=C(Oc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736085 DSQYYTGHEBVEMF-DPLHUUCSSA-N 401.893 6.386 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 408736524 XIHQGGATHHXVOW-DPLHUUCSSA-N 418.334 7.068 10 40 HKCB CN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S 2966032 WJZWPSOUHGTICP-ATVHPVEESA-N 421.996 5.342 10 40 HKCB O=C1c2ccccc2C(=O)C1(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 16477888 FPDMUMGUTJRZSB-UHFFFAOYSA-N 415.798 5.745 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 222862079 HYALREHPWQTQAM-VXKWHMMOSA-N 406.599 5.096 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408755010 SZUKEBVKNZEBSU-JXAWBTAJSA-N 422.311 6.473 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 1340122 FRIKYVRWJAWAEI-LPHOPBHVSA-N 420.022 5.647 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 4501757 LDPODGCJUQYEQN-UHFFFAOYSA-N 407.249 5.397 10 40 HKCB CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 4683605 CGPUYANGKHARBC-UGKGYDQZSA-N 409.942 5.710 10 40 HKCB COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 12418439 FTQLDMVTJMBLFI-ZJNRKIDTSA-N 422.269 5.571 10 40 HKCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(C)c2O)N3)C1 15945404 HTRALBVLQRXMGO-BTDLBPIBSA-N 421.360 5.468 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 408764709 MZVWJWYSQINIMU-FYJGNVAPSA-N 407.300 6.136 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2C)cc1 408789321 JAFOJZUFPNXSFB-PXLXIMEGSA-N 410.473 5.991 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(C)=O)c3)C2=O)cc1 408986652 SBHWYIJROZHFNY-XQNSMLJCSA-N 409.485 5.759 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409167584 JGGXCQPVTJRDFE-RLFDGXBXSA-N 418.673 7.492 10 40 HKCB Oc1ccc(/N=N\c2cccc(C(F)(F)F)c2)cc1-c1nc(O)c2ccccc2n1 409258415 XMBMRPNWYIUDRN-DQSJHHFOSA-N 410.355 6.142 10 40 HKCB COc1ccc(N2CCN(P(=O)(Oc3ccccc3)Oc3ccccc3)CC2)cc1 4619627 WHQFPXZXBHGWJR-UHFFFAOYSA-N 424.437 5.083 10 40 HKCB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(/N=N/c3ccccc3)cc2)cc1 5559120 BVHQHLNFZDUEJX-FBQNGNFFSA-N 402.454 5.466 10 40 HKCB O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccco1 9188443 JPUXRIZNRLWZCR-MOSHPQCFSA-N 407.516 5.260 10 40 HKCB Cc1ccc([C@@H]2Nc3ccc(-c4nc5ccc(C)cc5s4)cc3[C@@H]3C=CC[C@@H]32)cc1 58851096 FCXTVYKICTZRSV-SWYRRKHMSA-N 408.570 7.407 10 40 HKCB Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3ccc(O)c4ncccc34)cc2)c1C 104090591 VWGKRHZISCHYAY-VHXPQNKSSA-N 422.466 5.366 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 409024389 RUFSCIPTNQOAFI-LSCVHKIXSA-N 402.277 5.179 10 40 HKCB O=C1OC(c2cccs2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 409053627 NRWOVKVPRKPBGO-HMMYKYKNSA-N 410.494 6.462 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409087396 CILSPPBDZWZORB-PGMHBOJBSA-N 402.881 5.573 10 40 HKCB Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 3032212 MLWCAHWUQXBSMW-ODLFYWEKSA-N 414.313 6.623 10 40 HKCB Cc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 4571311 NVGVUQORWSKBCQ-PWJLMRLQSA-N 407.333 5.078 10 40 HKCB COc1ccc(N2[C@@H](c3ccccc3)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 4661618 SIDWUTWAPFJZCA-OZNIXHKMSA-N 407.513 6.713 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)cc1C 6276071 NPDKEOPROMSXDX-KGENOOAVSA-N 408.592 5.618 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)cc1 408983800 CRBFNWTTZUWZLC-LKUDQCMESA-N 423.556 6.899 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 13769831 KRWSBWAYLUVXLE-BKUYFWCQSA-N 400.528 5.737 10 40 HKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 102324396 XANADBBKVAVPKN-OCOZRVBESA-N 407.495 5.375 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916178 AFLVJSJCGOFTTI-IMEUGJQVSA-N 407.642 6.540 10 40 HKCB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217869440 GRBQPAMRAXBMKU-CVEARBPZSA-N 401.348 5.176 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222962347 YPXNHYAZQIUJMC-ZEQRLZLVSA-N 418.610 5.570 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NNc1cccc(Cl)c1Cl 408532307 MIBJKAHYCLWCLG-LCYFTJDESA-N 409.704 5.178 10 40 HKCB O=C1c2ccccc2C(=O)c2c1c(NCc1ccccc1)cc1sc3ccccc3c21 66089244 CBXKUCHHJDYQJI-UHFFFAOYSA-N 419.505 6.442 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222789777 USOFNEVFOAFHNJ-GGAORHGYSA-N 404.583 5.098 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(OC(C)C)c3)cc2)CC1 225656728 RBRUGTRIJKQQJH-LJQANCHMSA-N 411.615 5.758 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC1=S 409004345 AMMUFDBYQJNCCZ-YVLHZVERSA-N 407.919 5.279 10 40 HKCB CSc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 5278205 UKEQTTUTMKJLRK-MWQVBJQISA-N 412.584 5.388 10 40 HKCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 9232312 YNHNMHUESAPDDS-VGOFMYFVSA-N 402.274 5.677 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 100510946 YGVFZSCZNYZLID-IUBFCHALSA-N 409.902 5.647 10 40 HKCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(Cl)cc2)C1=O 408759863 NAYCXPGUDQTLJL-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408762723 FWIIJODTEAGMJH-SFQUDFHCSA-N 420.877 5.688 10 40 HKCB CCCCOc1ccc(N2COc3c(cc4c(CCC)cc(=O)oc4c3C)C2)cc1 2158675 BETICTRRCONGCI-UHFFFAOYSA-N 407.510 5.589 10 40 HKCB biogenic CCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2c(O)ccc3ccccc23)c1 2745715 VZTVQKKFPYZENW-VWLOTQADSA-N 410.473 5.715 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1 4481830 BSAGUZDIUOBWEV-PXLXIMEGSA-N 417.555 5.667 10 40 HKCB CCN1c2cc(C)c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208325617 AMMLOZUKYZXUKN-VVRYKASASA-N 420.578 6.348 10 40 HKCB CCN1c2ccc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)cc2C(C)=CC1(C)C 208506405 ZJJAMXJVUIMOBN-BKUYFWCQSA-N 421.541 5.930 10 40 HKCB CC(C)N1c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 260567312 KHVLMFOIWLIRMF-VVRYKASASA-N 420.578 6.428 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1cccc(Cl)c1Cl)C(F)(F)F 409002616 ORKGJGCAYAJHDA-PEZBUJJGSA-N 414.214 5.644 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)ccc1Cl 409155755 MTOYBERLNBHKHU-AGKHESDQSA-N 406.225 5.636 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2)C1=O 409340548 ZADMUFOMMICUDR-QNGOZBTKSA-N 405.544 6.034 10 40 HKCB CN(C(=O)c1cc(/N=N/c2ccccc2Cl)c2ccccc2c1O)c1ccccc1 4545591 UUHPYFFSXMIWEH-CYYJNZCTSA-N 415.880 6.891 10 40 HKCB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC)C3=O)o2)cc1 6264350 SUQVFSOBMQNUIM-QGOAFFKASA-N 415.536 5.125 10 40 HKCB Cn1c(-c2ccccc2)c([C@H](Nc2ccccn2)c2ccccc2O)c2ccccc21 23203372 RJORGMZQWYTEET-AREMUKBSSA-N 405.501 6.147 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 222614984 OPNDOGRDEHRUJU-ARBPTSGCSA-N 422.985 5.732 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc2ccccc12 222735985 SXFWSVQSVGMLKQ-RPWUZVMVSA-N 412.562 5.245 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1OC 408755727 OXULLYJDJLFQMJ-XSFVSMFZSA-N 418.880 5.192 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1 1908055 GXBWAHSYFKPOPM-SXGWCWSVSA-N 410.347 5.798 10 40 HKCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 3069353 ZSOUGMAOZJDJGP-WJDWOHSUSA-N 404.354 5.417 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 5194602 OMUBTSCYXMMXRV-DHTRNYPVSA-N 419.554 5.212 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 6630089 WXMZWBOUBLPGOO-UHFFFAOYSA-N 413.521 6.210 10 40 HKCB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8861747 OFTOFHFKMMIUQE-UXBLZVDNSA-N 422.267 5.421 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 12385131 KOLACZLVBICEFL-GGWAELBDSA-N 417.509 5.436 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cc(Cl)cc(Cl)c1 19618560 UVIWAPPZIBDHHG-BNCCVWRVSA-N 405.331 5.881 10 40 HKCB O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCC1 20681229 MTWZOMYMUFGQCP-KNKQGSTJSA-N 423.354 5.512 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSc3ccc(Cl)cc3)cc2)C1 260466157 GOXAHJGUUQGIIR-DLBZAZTESA-N 402.991 5.546 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 408761283 DRGUZKUQQHFIJF-SFQUDFHCSA-N 422.868 6.121 10 40 HKCB CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 4059080 UVEIBRMWSYNMMX-FOCLMDBBSA-N 404.557 7.432 10 40 HKCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 33595502 FMUUSUFOQNLUOA-NDENLUEZSA-N 414.477 5.110 10 40 HKCB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 70453922 SAUUOLRLRKJDMR-UHFFFAOYSA-N 417.852 6.730 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222879815 QTFROVROSSTUEU-ZEQRLZLVSA-N 418.610 5.488 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2OC)cc1 408840741 FIDYEHVBHGMABF-CJLVFECKSA-N 416.452 5.068 10 40 HKCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1O[C@H](C)CC 408904367 IJLQYVNONXKYQC-IYSPOMMRSA-N 412.917 5.722 10 40 HKCB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 2641653 WPFHUAIEKQIXJD-SFHVURJKSA-N 407.485 5.614 10 40 HKCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 6348311 LIFHHFXGBCYWHT-QJOMJCCJSA-N 417.505 5.484 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 6630091 RSQGHVSBJNWAQT-UHFFFAOYSA-N 419.912 6.247 10 40 HKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 13942257 MJPGDUHXFGJELE-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19791534 CTSZSOSUWPEOKL-CQSZACIVSA-N 417.427 5.559 10 40 HKCB biogenic Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cccc4[C@H]4C=CC[C@@H]43)cc2)cc1 36081856 JKIBNJANVUIJOM-HWBMXIPRSA-N 401.937 7.054 10 40 HKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1C 100524769 CAMUYSQHAZHQDP-IUBFCHALSA-N 409.902 5.647 10 40 HKCB Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(O)=C1[C@H]2c1ccccc1O 102625621 CLRPWSWZSMMUGW-JOCHJYFZSA-N 405.885 5.889 10 40 HKCB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)NC4=O)c3C)cc2)cc1 106692789 QMFKWPVVEYCIFG-BKUYFWCQSA-N 420.490 5.219 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1 408936578 GSMOICRRNXDKMK-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB Nc1ccc(N=Nc2ccc(N=Nc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12 1857793464 PSCMBFZUSLSQIF-UHFFFAOYSA-N 419.410 8.272 10 40 HKCB O=C(O/C(=C(\N=N\c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 17191672 CRYAIAGXVMJABY-JODJXZMCSA-N 404.469 7.153 10 40 HKCB CCN(CC)c1ccc(CNC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 223715067 QHJMXIBHVAYYIP-LGUFXXKBSA-N 414.549 5.398 10 40 HKCB CN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S 1180801 NFXNYXZWEWUWRZ-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(C(=O)O)cc2)cc1 4248041 ILBXQRTYZFWXCR-QHCPKHFHSA-N 419.912 5.460 10 40 HKCB CC(C)(C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S 5371474 VCFXJNXMAGFXMB-PDGQHHTCSA-N 417.983 5.919 10 40 HKCB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@H](C)C(=O)OC 5548005 FADSVKHSIPGTHJ-QGZVFWFLSA-N 408.494 5.523 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccccc4)n[nH]3)c2C)cc1 5932015 JASNRCLYDKYDNH-UHFFFAOYSA-N 402.523 5.163 10 40 HKCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Oc2ccccc2)cc1 17190895 BTTFABGFDCQODD-UHFFFAOYSA-N 419.436 5.507 10 40 HKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 19887074 DSZJWVMVPRZSCN-CKEIUWERSA-N 405.679 5.837 10 40 HKCB CCOc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)NC3=O)cc2c1 22079705 RCEHIUCVDQBGOH-LDADJPATSA-N 424.572 5.274 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 101114383 IXGVBQGFTCJTJG-FPXAXAJJSA-N 414.461 5.187 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 218933694 ZJRWPEDWFWYKEE-FQEVSTJZSA-N 408.586 5.477 10 40 HKCB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486789 TVDGONDTPAVSRV-KKSFZXQISA-N 412.898 5.358 10 40 HKCB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 260805358 BLZRQRVXVDSTCG-NJYVYQBISA-N 420.597 5.446 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(F)cc3)C2=O)cc1 408762511 BVVYTSXJEOPAOJ-XQNSMLJCSA-N 416.452 5.068 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c(C)c1 924828 JBOOUWHHTSYIRL-HXUWFJFHSA-N 421.566 5.077 10 40 HKCB CCCn1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=S)N=C2O)c2ccccc21 2397450 ILHXCUIZRWRKKT-CPNJWEJPSA-N 403.507 5.031 10 40 HKCB O=c1oc2ccc(/N=N/c3ccc(Cl)cc3)cc2cc1-c1nc2ccccc2[nH]1 6424121 JRCGWSQOYNGNSY-CYYJNZCTSA-N 400.825 6.405 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 6963521 FUEKARHAJWFDSS-PPJWLVRDSA-N 401.550 7.253 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1 27519450 IVKDJBATMIONKG-NBVRZTHBSA-N 422.311 6.473 10 40 HKCB Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1Cl 30735231 DZVZZSQTMUJWEX-BQLOJNAPSA-N 412.902 5.184 10 40 HKCB Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)Nc2ccccc2C(F)(F)F)cc1 100138618 JFSSGPQRAXLHRN-ZIADKAODSA-N 412.415 7.382 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3Br)cc2)C1 260466343 PTVGGLXUCRZFBU-JKSUJKDBSA-N 401.348 5.176 10 40 HKCB Cc1cccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)c1C 408735032 MOCDCSRAYBHROY-UHFFFAOYSA-N 403.551 5.967 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Cl)cc2)c1 408759086 XPYMJYSWHXKSLB-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 408946186 YKERRVPTXHTRTR-HZHRSRAPSA-N 416.908 6.034 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 408995971 GBRQGSMPSHAQKR-JWGURIENSA-N 403.522 5.560 10 40 HKCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409076677 BSKUXDCOBUMPCU-XLNRJJMWSA-N 416.908 5.963 10 40 HKCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)o1 1104693 PASWFDLKYHSHMR-XDHOZWIPSA-N 405.431 5.194 10 40 HKCB Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(C(F)(F)F)ccc1Cl 1389581 HHTQGGHRVPXFAV-UHFFFAOYSA-N 413.848 5.528 10 40 HKCB Cc1ccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)SC2=S)cc1 4063698 YBDAOCXWWLHQMM-ICFOKQHNSA-N 404.969 5.424 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13766191 ZBALHOCGKTYSMW-BOPFTXTBSA-N 407.322 5.710 10 40 HKCB COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N\c1ccc(N)nc1N 18156453 IFUWHSTUYLHHCN-MRAZZECGSA-N 422.405 5.002 10 40 HKCB COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 33733435 FTQLDMVTJMBLFI-LXIYXOSZSA-N 422.269 5.571 10 40 HKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 36080621 VYQOJGJEBDTYSM-UMFSSWHCSA-N 417.936 6.754 10 40 HKCB COc1ccc(C)c2c1N[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)[C@H]1CC=C[C@@H]21 58928609 POODVRWHWMZDRQ-DXBVXKBHSA-N 411.545 6.718 10 40 HKCB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S1 208193067 JDJMYSVJQBIVPP-JHDSZEHQSA-N 405.567 5.799 10 40 HKCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C 408757454 NLYLYIBWBZAQFN-XKZIYDEJSA-N 402.473 5.051 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(OCC)c1 409051065 HXXVASBYDSPTDV-NDENLUEZSA-N 413.564 5.194 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409241637 KUYJJTMTIVALCJ-XDHOZWIPSA-N 423.925 5.379 10 40 HKCB CCN1C(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)SC1=S 409376510 BKRBYHVOBYANGC-BKUYFWCQSA-N 423.534 5.779 10 40 HKCB CN1C(C(C)(C)C)=CC(C(C)(C)C)=C/C1=C/c1cc(C(C)(C)C)cc(C(C)(C)C)[n+]1C 685944508 SVQGHZLBNSKMTQ-UHFFFAOYSA-N 423.709 7.295 10 40 HKCB Cc1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 4321217 NGRNPJMUOOSRQA-KFGLOJPWSA-N 418.378 6.652 10 40 HKCB Cc1ccc(COc2cccc(/C=C3\SC(N4CCCCCC4)=NC3=O)c2)cc1 9188860 IGKJQFNBXBWDJN-JWGURIENSA-N 406.551 5.420 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226633474 LTTOSZJGXVJENP-NQCMUKECSA-N 406.309 5.846 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)C1 260892951 FPODJUDWZCCQJD-DLBZAZTESA-N 419.396 6.040 10 40 HKCB CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408985527 MPVVNGQZYHOYEH-SNAUHIFDSA-N 413.948 7.325 10 40 HKCB Cc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1C 409178663 MMMJSUPDLWXTBV-ZDLGFXPLSA-N 416.930 5.685 10 40 HKCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(C)C 409349531 PWNAXFAKRNJYTL-UDWIEESQSA-N 413.564 5.131 10 40 HKCB COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 4739594 RKXWVNLHKFBHJU-XSFVSMFZSA-N 415.876 5.598 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 5490058 ZWMDWEQEVDLIAG-WEHZRUJJSA-N 419.554 5.130 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc1 6324109 QOKUQLCFMTXAGU-AVYPCKFXSA-N 406.784 7.771 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1 6630105 NFVCXVLQVRKOGH-UHFFFAOYSA-N 424.570 5.200 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 37613805 DVJSXCPNEHBBTO-IGCXYCKISA-N 404.691 5.627 10 40 HKCB CCc1ccc(N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1 102642277 ZQXVLHAEIMCEKE-KAMYIIQDSA-N 416.428 5.120 10 40 HKCB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219321082 SVHRNBHJYBUNMA-PGRDOPGGSA-N 414.977 5.611 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)c(F)c3)N21 222691105 HQNJGFUPJIAMKC-ZPMCFJSWSA-N 410.562 5.190 10 40 HKCB COc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1 408775685 JXRWKOOVBWXCFB-XSFVSMFZSA-N 412.445 5.383 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1CCCc1ccccc1 409143230 ZUTWUNRSTSIOKL-CJLVFECKSA-N 424.541 5.485 10 40 HKCB CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3c(C)cccc23)ccc1O 4522515 XWSLPKUUBNFIOR-UHFFFAOYSA-N 419.956 6.641 10 40 HKCB CCCCN/C(=C\C(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 100712739 PAFBDIZJHTTYTQ-PDGQHHTCSA-N 413.801 6.817 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219393375 VKAAISMKJDIDEC-MOPGFXCFSA-N 402.538 5.576 10 40 HKCB CCOc1cc(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222690583 ASGQWKFJGUYDQZ-VSDWSMLSSA-N 422.598 5.060 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260919758 NKBTXIPXNDDOCO-XZOQPEGZSA-N 420.626 5.486 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 409000486 YWBOMILKVHQPFX-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(CC)cc2)C1=O 4690718 AFIVPSWYVLATJZ-PDGQHHTCSA-N 403.956 5.707 10 40 HKCB CC(C)CCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 32675378 FOIWUJJUXGJNSI-VKZJTJHYSA-N 411.592 6.074 10 40 HKCB CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1 36082003 WQBYEXBMKKTEMX-XESPDTOESA-N 419.554 5.247 10 40 HKCB Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 106937373 OYCXZFRTWJVAOT-KNQAVFIVSA-N 411.288 5.941 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 217952853 ZPDPRALEJKCQHH-JTVVXKTLSA-N 404.598 6.111 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219368136 WMDAPEUCRJBNAH-ZHRMCQFGSA-N 408.586 5.575 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccc(Br)c3)cc2)C1 225621412 JIVLOFGRMLRNIV-IAGOWNOFSA-N 415.375 5.105 10 40 HKCB CC(/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O)=C\c1ccccc1 5024996 TWSAWMFWGIVGAX-YZXVBUGESA-N 406.359 6.346 10 40 HKCB COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1OC 58851324 DXDDPOLUNLBEBR-UFYHVXEKSA-N 410.728 6.491 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 100148287 OUUCRFRURKWRGV-OEAKJJBVSA-N 402.881 5.725 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccccc3Br)cc2)CC1 218221362 TZLRFZCUBOCUFZ-MRXNPFEDSA-N 401.348 5.176 10 40 HKCB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1N1CCCC1 222679718 CLHKZJCRXGRAEF-LEOXJPRUSA-N 422.598 5.060 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 222696782 FJTCZCSKFBCTJE-SXSPYAJSSA-N 420.557 5.608 10 40 HKCB COc1ccc2cc(C3=C/C(=C/c4ccc(Br)cc4)C(=O)O3)ccc2c1 408722100 DOMNREDQBSIEIT-ZDLGFXPLSA-N 407.263 5.592 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2F)cc1 408752933 DMGYHSBQUOWKHG-KOEQRZSOSA-N 406.460 6.122 10 40 HKCB COc1ccc(Oc2ccc(-n3c(C)cc(C(=S)N4CCCCC4)c3C)cc2)cc1 409198821 LKGJMAXQDGGZAU-UHFFFAOYSA-N 420.578 6.056 10 40 HKCB CN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S 409209439 BPGSYRQBDPCEHJ-LPYMAVHISA-N 414.555 5.674 10 40 HKCB CCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]1C 2303877 KSIZUTVDJYRPBL-NWDWJUPMSA-N 409.618 5.008 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 3769027 OVGKXNVIPIRMAK-WOJGMQOQSA-N 420.962 5.731 10 40 HKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 4578424 OUQALSJJDNROAQ-VGOFMYFVSA-N 400.739 6.053 10 40 HKCB Cc1ccccc1/N=N\c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C)c1 100502113 WFXJMXWPLKDRBT-RQZHXJHFSA-N 419.937 7.839 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3C)N21 222678167 NXHBIACKYJWGAM-OFAXGOBFSA-N 406.599 5.278 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 409053470 YQHIJKSXPXOZKB-SFQUDFHCSA-N 419.820 6.022 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21 409153064 KRYWZPHHEQEWMU-SNUQEOBHSA-N 424.260 6.303 10 40 HKCB COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c2ccccc12 409329218 CHUCVPZNKGXULJ-UDWIEESQSA-N 423.584 5.976 10 40 HKCB Clc1ccc(/N=N/c2c(-c3ccc(Cc4ccccc4)cc3)[nH]c3ccccc23)cc1 13763933 ALBTUWFQYNOBER-NVQSTNCTSA-N 421.931 8.495 10 40 HKCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113836555 QDPRTNDWURKLPB-LDADJPATSA-N 408.460 5.261 10 40 HKCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC)c2C)cc1 222783405 QFYUGRIGOVWXKP-DHIUTWEWSA-N 404.583 5.044 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1C 408986349 PWHBTVSLNRLVMU-DEDYPNTBSA-N 420.339 7.082 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 409022891 HRHZWZMLMPXXNA-HAHDFKILSA-N 416.546 6.206 10 40 HKCB Cc1cc(Cl)c(O)c(CN(Cc2cc(C)cc(Cl)c2O)C2CCCCC2)c1 1681096 PEQZDZSTBPUOHB-UHFFFAOYSA-N 408.369 6.356 10 40 HKCB Cc1ccc(NC(=O)COc2cccc(C3Nc4cccc5cccc(c45)N3)c2)cc1 3641647 FXHOJJHBGMFWTQ-UHFFFAOYSA-N 409.489 5.702 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 27229347 NWMWDMKULDLWSL-VGOFMYFVSA-N 417.836 5.904 10 40 HKCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 28048153 ZAZGSLHWCOKTRH-MZLJFPOFSA-N 424.330 5.021 10 40 HKCB COc1cc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC 48324614 HHJOHRDISHENOB-UHFFFAOYSA-N 414.889 5.026 10 40 HKCB Cc1cccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 214619211 VPKDJWOMVMNGNJ-HYARGMPZSA-N 402.519 5.639 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3C)N21 260772452 NXHBIACKYJWGAM-LEOXJPRUSA-N 406.599 5.278 10 40 HKCB CC(C)COc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 408600126 VDSXFUFEFQOKJO-DEDYPNTBSA-N 412.580 5.193 10 40 HKCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@@H]2CC)c1O 2286049 YUNACLYNVFWEMY-INIZCTEOSA-N 412.555 5.257 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 2682674 QANOGKARLIQJCQ-UNOMPAQXSA-N 411.935 6.314 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc4ccccc34)o2)SC(=S)N1c1ccccc1 5009946 UURAOFHREGQCGM-PXLXIMEGSA-N 413.523 6.506 10 40 HKCB Clc1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 7096084 SAEJRPUSFSFSHE-HWBMXIPRSA-N 403.978 7.459 10 40 HKCB COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccccc2)cc1 9281246 ACQVDWDZYDCAIC-RUZDIDTESA-N 422.484 5.546 10 40 HKCB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 227486770 XRMHDDXDIBTZBZ-MBSDFSHPSA-N 406.507 5.403 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409060203 ZRMANYDUXNXDFO-JXAWBTAJSA-N 409.913 5.515 10 40 HKCB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21 4090824 MCIYJCSAOJOHTR-ZILOHOTNSA-N 411.457 5.111 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S 4891245 LFZSBOVLKQGJGG-OQLLNIDSSA-N 408.342 5.239 10 40 HKCB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7096119 HYLMNKPWEILMND-FBLLAGFSSA-N 414.530 6.714 10 40 HKCB CCc1ccc(N2C[C@@](O)(c3ccc(C4CCCCC4)cc3)[N+]3=C2SCCC3)cc1 27525099 QPABLKIOLIKHIB-AREMUKBSSA-N 421.630 5.467 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 58865614 IKNDQOIAMFNZRI-UHFFFAOYSA-N 412.869 5.063 10 40 HKCB C/C(Nc1ccccc1C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100094203 HRWSZQSDIUSKQF-FOWTUZBSSA-N 416.428 5.256 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2sc3ccccc3c2Cl)cc1 408758521 LRQNJVJTDFZWBJ-QGOAFFKASA-N 418.905 6.291 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409009373 DXNMWPHGUODEOY-HCGGYXKBSA-N 423.365 6.236 10 40 HKCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1 409145021 HMDPZKGIFDXNNP-HZHRSRAPSA-N 422.594 6.273 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409338335 IAAUSVCMQWMWPA-KWPCUBQOSA-N 412.580 5.336 10 40 HKCB COc1ccc(-c2nc(NCc3cc(Br)ccc3O)sc2C)cc1 4616966 JZFRQIWTOMAUMO-UHFFFAOYSA-N 405.317 5.207 10 40 HKCB Cc1ccc(NCN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c(C)c1 16284970 BUSPRDFHKPQMGT-RQZCQDPDSA-N 423.390 5.881 10 40 HKCB CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC 18190477 HKCRQZKYEZZYKD-HSZRJFAPSA-N 415.493 5.253 10 40 HKCB Cc1ccc(C)c([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)c1 59401517 SODSXKKRXZJQQW-FIAZIHOUSA-N 405.497 5.905 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)CC1 224542798 KPVUYZAOHUCWTH-NHCUHLMSSA-N 420.597 5.446 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccn1 409143225 MAOVGZPPCNLXNY-LTGZKZEYSA-N 417.534 5.158 10 40 HKCB CCCN1C(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)SC1=S 409344445 JGUAJFOLTPVQSH-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB CC[n+]1c(C=C2C=C(C)N(Cc3ccc(Cl)cc3)C(C)=C2)sc2ccccc21 3164394 DDXKFDIIOISTSD-UHFFFAOYSA-N 407.990 6.569 10 40 HKCB CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 13371322 CWGNKHXVQMCURJ-HAHDFKILSA-N 412.485 5.954 10 40 HKCB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c1 15009055 OPGSUMAUQBJQEG-AQTBWJFISA-N 420.852 5.193 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(F)c1 222919297 XYQVRPJHLCWKGU-XZOQPEGZSA-N 422.573 5.257 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222961962 GCJAGVKSFZRQGM-DHIUTWEWSA-N 404.583 5.262 10 40 HKCB CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225670791 VMHNBMPWFYLRDI-RTBURBONSA-N 411.615 5.758 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCCC4)c(F)c3)N21 260762844 HQNJGFUPJIAMKC-YHYVQYDKSA-N 410.562 5.190 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(Cl)cc1 260774985 OPNDOGRDEHRUJU-KBJGYGKASA-N 422.985 5.732 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 260781109 SLZCTUGUTCGWQA-ZQMYSKGWSA-N 418.566 5.169 10 40 HKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)NC1CCCCC1 408735138 JXZOVTKCUSHCEW-UHFFFAOYSA-N 420.516 6.544 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(O)cc2)cc1 408755382 NEPIGTGQAZCRDK-KOEQRZSOSA-N 420.468 5.389 10 40 HKCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408901616 GVONUPAKZGTSTN-XDHOZWIPSA-N 421.499 5.359 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 409166872 GWTUXWUFKLTHHX-PRXAMGSTSA-N 413.117 6.722 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)c(C)c1 409342049 CZIYMGWZDMCOTQ-JCMHNJIXSA-N 417.555 6.502 10 40 HKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409342603 FTSHHCUFLQEMQZ-RQZCQDPDSA-N 424.374 6.186 10 40 HKCB Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1 3264056 ZVOALXNGBWNWFD-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB COc1ccc(N(Cc2ccc(C(C)C)cc2)Cc2cc(=O)n3ccccc3n2)cc1 23015090 AOORFJXLSBORBI-UHFFFAOYSA-N 413.521 5.033 10 40 HKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 103919046 ASRSGVUGEUADJM-ZHZULCJRSA-N 412.877 5.445 10 40 HKCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl 409330737 LTHUMRUEZRWKMR-NSIKDUERSA-N 416.738 5.758 10 40 HKCB Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c(O)c2n1 940831 SQRMMLZBFZELJU-HXUWFJFHSA-N 409.411 5.864 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1 4150684 SVZLWEOKBXRIRO-UOYIJQEASA-N 410.930 5.223 10 40 HKCB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4873253 KOLACZLVBICEFL-ZWBFNDLWSA-N 417.509 5.436 10 40 HKCB CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12 19793004 WGMVUVWPTPAYGK-UHFFFAOYSA-N 413.779 5.025 10 40 HKCB CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S 40005914 SVUSNQKFDAEEKZ-PDGQHHTCSA-N 403.956 5.530 10 40 HKCB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219393268 NILLFVFGUANCPZ-LJQANCHMSA-N 402.538 5.576 10 40 HKCB S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCC1 408735341 NPFLNZJWZYLHPM-UHFFFAOYSA-N 409.514 5.849 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 409194485 MFQCDRBNVAFZNL-KGENOOAVSA-N 420.559 5.221 10 40 HKCB CC[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CC(C)C 1340135 QRVULCMRKWTQSC-LJQANCHMSA-N 420.022 5.743 10 40 HKCB CCOc1ccc(/C=C2\SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)cc1OC 1825281 YBKMWKARSBWEPN-IDUWFGFVSA-N 423.321 5.483 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21 208441905 SIJKMDADFGRBGM-MTJSOVHGSA-N 422.525 5.694 10 40 HKCB Cc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O 409328406 UNRFFZBDDOMHOG-OVCLIPMQSA-N 424.772 5.817 10 40 HKCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 16347948 IJSWWSLGIAUJPY-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB C[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 225666087 FEPQAJDJYURQKV-IBGZPJMESA-N 423.626 6.046 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408996327 DBEJJNKVRCOASL-YBEGLDIGSA-N 402.277 5.179 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 409164943 PZQJZNKBJDNAGV-MVERNJQCSA-N 401.550 7.253 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 2375016 JREFVTUOPYUWED-CPNJWEJPSA-N 424.591 5.150 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 8411975 DWCIXVOCOPEFOL-UNOMPAQXSA-N 405.435 5.246 10 40 HKCB CN(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN23)cc1 12112565 CGPUYANGKHARBC-KNQAVFIVSA-N 409.942 5.710 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222688468 BLDKGCBTQNKUMA-MQNAVGNWSA-N 424.614 5.306 10 40 HKCB Cc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 408945149 KHEQJQWDYAPFBT-UHFFFAOYSA-N 418.718 5.886 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408998686 RWNZSXPWLCCXHK-WJDWOHSUSA-N 402.277 5.179 10 40 HKCB CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409329454 FSXOKYBDFAIZEU-WOJGMQOQSA-N 414.508 5.035 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC 409343813 DNXMSWUDKCSCDY-XSFVSMFZSA-N 413.564 5.588 10 40 HKCB COc1cc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4975154 VSSFMNHIUGMXMU-CKFHNAJUSA-N 406.309 5.846 10 40 HKCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 5513230 OPTNTCSAJGTDCB-STZFKDTASA-N 418.880 5.192 10 40 HKCB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 13632882 IASYTKQGFQJPHK-HDMKZQKVSA-N 418.234 5.026 10 40 HKCB Nc1nc(-c2cccc([N+](=O)[O-])c2)c(/N=N/c2ccc(Br)cc2)s1 16956146 KNHASUMTWGUIKZ-FMQUCBEESA-N 404.249 5.478 10 40 HKCB CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3c(C)cccc3C)C(=O)N=C2S1 41083010 QOCOCMKIRIRBKR-ZUGBYVCQSA-N 419.554 5.294 10 40 HKCB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 218667174 AYOIWUKUXRVYPC-HKBOAZHASA-N 422.613 5.865 10 40 HKCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222745597 ODYBQIRQJAUGBG-NHCUHLMSSA-N 410.974 5.053 10 40 HKCB O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408532072 SGMACPYQEJTKGJ-AUWJEWJLSA-N 414.310 5.200 10 40 HKCB CCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c2ccccc21 409113337 AJKRKTRDZIXKRI-HAHDFKILSA-N 423.472 5.505 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)cc2)C1=O 409328487 WFFUFGRAYDCVSZ-PXLXIMEGSA-N 419.571 6.343 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 6324070 VAEWKPNFAOVJIQ-QKLQHJQFSA-N 400.335 6.712 10 40 HKCB CCOc1c(/N=N\c2ccc(Cl)cc2)c(-c2ccccc2)nn1C(=S)S 104231015 JUGUFCFAXATHCK-MRCUWXFGSA-N 402.932 6.080 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C 222784470 RWJJYGROXNNBPH-SFTDATJTSA-N 410.974 5.135 10 40 HKCB Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1Br 225694766 LDFWAWGRDWFXEW-HNNXBMFYSA-N 418.404 5.405 10 40 HKCB CCn1c(-c2ccccc2)cnc1SCC(=O)N(c1ccccc1)c1ccccc1 892096 PBHQYTLKWDNTTA-UHFFFAOYSA-N 413.546 6.027 10 40 HKCB CC[C@H]1CCCCN1Cc1ccc2c(ccc3c(-c4ccccc4)cc(=O)oc32)c1O 4540322 GNMXYJGHKAHUCX-FQEVSTJZSA-N 413.517 6.083 10 40 HKCB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1cccc2ccccc12 113831206 TZKZCBDBMCFCPK-XNTDXEJSSA-N 416.321 5.601 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 408987284 VYELTYZPJQGYRX-LTGZKZEYSA-N 415.920 6.518 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)cc1Cl 409063284 JXYILPAVWVGZDS-BKUYFWCQSA-N 419.912 5.562 10 40 HKCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl 409096291 KJCBVDDNYIQIPH-UNOMPAQXSA-N 416.905 5.316 10 40 HKCB COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc2ccccc12 4161546 KTYIINQSXNULDR-UHFFFAOYSA-N 417.534 5.081 10 40 HKCB O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S 5214045 XWIIMWVIIVYVSR-SDXDJHTJSA-N 421.584 5.189 10 40 HKCB Cc1cc(C)cc(NCc2cc3c(C)c(Cc4ccccc4)c(=O)oc3c(C)c2O)c1 6672343 IELYSZLEGKBFMW-UHFFFAOYSA-N 413.517 5.935 10 40 HKCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 13880815 UWYBUEVXJVDWBG-MOSHPQCFSA-N 412.942 5.485 10 40 HKCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(C)c2O)N3)C1 15945402 HTRALBVLQRXMGO-QGHHPUGFSA-N 421.360 5.468 10 40 HKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(O)=NC2=S)c1 59137758 OFCLLFWPKLXFOW-XDHOZWIPSA-N 420.465 5.374 10 40 HKCB Cc1ccc2oc(C(=O)NC3CCN(c4ccc(OC(F)(F)F)cc4)CC3)cc2c1 62221052 HGOWXTSCSZDQME-UHFFFAOYSA-N 418.415 5.039 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)c1 409340131 QXPROMIDHYVPLK-DHDCSXOGSA-N 411.495 5.833 10 40 HKCB O=C(Nc1ccc(Cl)cc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 4498201 GABJEMYOCSTNBS-RFZJPIJTSA-N 402.925 5.745 10 40 HKCB COc1cc(Cl)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O 4785262 WICNLJAPEFWECX-XTZNXHDOSA-N 420.962 5.696 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 12559080 GOHNNPWQCNZHHD-XKZIYDEJSA-N 423.438 5.919 10 40 HKCB CC1=NN2C(=N)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1 41108165 HKTAJJFZQMEYGV-JTKJEDPUSA-N 418.503 5.223 10 40 HKCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219324240 SFDACWXRRJNGDG-WZONZLPQSA-N 414.977 5.611 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618798 BCYIWDLIGMDTMR-NWVWQQAFSA-N 416.594 5.695 10 40 HKCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 408760847 AIYIGOXPXSQPJU-DEDYPNTBSA-N 421.269 5.423 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)c(C)c2)cc1 408785506 ZUBWZNPMLARVNC-XSFVSMFZSA-N 414.436 5.822 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC 409337985 ASVLCSREXRUSIG-WOJGMQOQSA-N 417.577 5.222 10 40 HKCB CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 17088926 WPBWGXAJBQBERK-MOHJPFBDSA-N 411.505 5.395 10 40 HKCB COc1ccc([C@H]2N=C(c3ccccc3)C[C@@H](c3cc(Cl)ccc3O)N2)cc1OC 57509307 KXYJXPGCVWVSOA-RDPSFJRHSA-N 422.912 5.285 10 40 HKCB CC(C)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 85879337 WNZMTDMGFHPYDJ-UHFFFAOYSA-N 417.465 5.407 10 40 HKCB biogenic O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]23)c1 409153204 LSTWTIKCQXIELW-QFSBIZTOSA-N 406.225 5.636 10 40 HKCB CSc1cccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)c1 409334069 SXMMTMNJUMBCIW-WQRHYEAKSA-N 401.578 5.602 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1 6630102 MGITWUBXSNFCEW-UHFFFAOYSA-N 420.900 5.642 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 409042946 LTTSPLIUFWOXEX-UKTHLTGXSA-N 418.321 5.448 10 40 HKCB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 409341441 ATKYQJYRKAXZRZ-UNOMPAQXSA-N 422.487 5.162 10 40 HKCB CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S 409346554 KMZABCACQABJTO-QGMBQPNBSA-N 416.930 5.313 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc(-c2ccc(C)cc2)cs1 4669048 STSKRXGJLNAZCC-HXUWFJFHSA-N 407.564 5.782 10 40 HKCB Cc1cc(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 6329750 VPBFTRPPDYPFNX-UHFFFAOYSA-N 405.538 5.427 10 40 HKCB O=C(c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21)N1CCCC1 8854671 UNOROEPJHJHSTA-BBTUJRGHSA-N 423.354 5.512 10 40 HKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 83318704 LGBMOMLHFYWXMX-JCMHNJIXSA-N 403.522 5.165 10 40 HKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2ccccc2Cl)c1O 100045238 XNANGTRPTFPPPE-CYYJNZCTSA-N 401.853 6.867 10 40 HKCB in-vitro CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc(C(C)C)c1C 103617687 QYWBKLLHQBWJNM-ATVHPVEESA-N 411.527 5.075 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(C)c3)C2=O)cc1 408755449 UZHDIEZAMTVOJI-RGEXLXHISA-N 419.883 6.267 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C 408756624 IOWVNRPCOUZWHG-LPYMAVHISA-N 418.928 5.565 10 40 HKCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222918068 RDWODLQVHXHLJF-ZEQRLZLVSA-N 418.610 5.426 10 40 HKCB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(/N=N/c2ccccc2)cc1 4401793 AYVJXASJSPKCTO-LFCDZELCSA-N 406.283 6.516 10 40 HKCB CCN(CC)Cc1cc(/N=N/c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2c1O 5572994 IFMGYFMIGCMIIE-WCWDXBQESA-N 408.458 5.719 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)cc2C)cc1 16807685 NRBQNEYWEOXWFV-UHFFFAOYSA-N 420.534 5.371 10 40 HKCB Nc1ccc(S[C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1 17082441 GAFJJSYOYXYHJG-VQERKYHCSA-N 402.479 5.108 10 40 HKCB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 17093403 GZPLIYRBHOVIDW-UHFFFAOYSA-N 422.937 5.260 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 26688639 AWHXIYXUQJUDBK-RGEXLXHISA-N 420.563 5.057 10 40 HKCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222827236 ZXETZVDOVAQBIT-GOTSBHOMSA-N 404.583 5.178 10 40 HKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)O2)cc1 408754730 HMVBQIHFDHLEFX-HAHDFKILSA-N 413.517 6.091 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408979721 RVMSFMUVGAPXTN-GDNBJRDFSA-N 422.695 5.524 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)cc3)SC2=S)cc1 409327736 MDUFLSUYUBLIAM-CPOQMQJTSA-N 413.564 5.668 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(Cl)c1 1909800 QTLJZNHBAVPMTP-ZSOIEALJSA-N 410.745 5.508 10 40 HKCB Clc1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096064 OLJYNICISKGTFQ-UMEGOILYSA-N 403.978 7.459 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1 58822002 GTNRXXBHMLYRQN-GZTJUZNOSA-N 419.955 5.149 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 100555843 BNCDOZYZARUHDZ-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222962756 PUYMIALOKNTGQW-BJKOFHAPSA-N 418.610 5.570 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1 224163386 QIVSRYWLTMLBIZ-LOSJGSFVSA-N 424.573 5.666 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408766322 UHHCDHHUHMXBHO-LDADJPATSA-N 411.230 5.016 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1 408841403 GVFVXPSEXVCFBE-KGENOOAVSA-N 417.306 5.592 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)c1 5182796 WXVOWAYQWFGMRU-OAHLLOKOSA-N 407.510 5.448 10 40 HKCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(N4CCCCC4)c(C)c3)S2)cc1 6399927 IETBNBALSPVLBC-RCCKNPSSSA-N 407.539 5.076 10 40 HKCB COc1cc2c(cc1NCC(=O)Nc1ccccc1C(F)(F)F)oc1ccccc12 11619262 BYZLBGQRGJXVPY-UHFFFAOYSA-N 414.383 5.664 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)c(OC)c1 13645090 NKNWABYHSCCEMJ-NDENLUEZSA-N 407.516 5.263 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2F)cc1 408759684 JPXJYCPZXLRXBM-PXLXIMEGSA-N 420.871 5.712 10 40 HKCB CCOc1cc(Cl)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC 408902771 RFGUWYANXSQKGV-LICLKQGHSA-N 405.928 5.153 10 40 HKCB O=C(/C=C/c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 4670493 LRTXLINAKOAETK-OWSFEGEDSA-N 402.881 5.437 10 40 HKCB Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)S1 5796795 YUWPDQNGBLMMOC-UNOMPAQXSA-N 415.921 5.470 10 40 HKCB Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c(C)n1-c1ccccn1 89580071 HZCQHQRAUACXCE-UHFFFAOYSA-N 424.476 5.067 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)cc1 409352634 XMVMQRWRQCOUPY-ZHZULCJRSA-N 406.532 5.418 10 40 HKCB CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCCCCCC2 4651134 HGTNIVXEYNLVSS-UHFFFAOYSA-N 423.575 5.336 10 40 HKCB CCOc1cc(/C=C2/SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1O 27229148 KZKUJHJRVKBLEB-LZYBPNLTSA-N 409.294 5.180 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc21 208219429 HFPOJQQDMIZGNJ-HYTQYMIGSA-N 408.592 5.814 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2Cl)cc1 408844741 UTWMATXMWHLIMG-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c(C)n1C1CCCC1 409145199 PRBULOAJOUAMTO-MOSHPQCFSA-N 413.974 5.478 10 40 HKCB COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2c(F)cccc2Cl)c1C 3363414 WRAQAAHCBRFVEI-UHFFFAOYSA-N 422.283 5.906 10 40 HKCB Cc1cc(I)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4321193 WVZQWGLWOHMWAG-TXPKVOOTSA-N 405.254 5.565 10 40 HKCB Cc1nc(-c2cccc(NC(=O)c3sc4nc(C)c(C)c(C)c4c3O)c2)cs1 12586085 GLKXBIMTBXITJQ-UHFFFAOYSA-N 409.536 5.611 10 40 HKCB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(N2CCCCC2)cc1 20107351 VCKSIVXZDNXHPV-DEOSSOPVSA-N 402.538 5.304 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 35040280 RCRMBOMAHLLASM-XMHGGMMESA-N 411.548 5.222 10 40 HKCB CCOc1ccc(N(Cc2ccccc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 57719754 BETDJTKKYVEZSV-UHFFFAOYSA-N 414.505 5.142 10 40 HKCB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222611678 JIXYWRKKHIOKAD-JJEOQYAHSA-N 402.567 5.387 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222789186 RSFZEGYAMUORAA-GOTSBHOMSA-N 404.583 5.098 10 40 HKCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1ccccc1 224186857 MSQVWRRRZASPCC-BJKOFHAPSA-N 410.546 5.358 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260769314 LMPKRBGLNRKLDW-MQNAVGNWSA-N 402.567 5.387 10 40 HKCB CCc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 409154133 JVZNDOIMJDHZHN-UWVAXJGDSA-N 401.291 5.680 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)ccc1Cl 409165010 QYQDBLQEXUUZBO-MSYCTHLASA-N 402.881 6.742 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 409170219 UFJNMVQIFMKMES-CKEIUWERSA-N 405.679 5.837 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(n2c(C)ccc2C)C1=O 409197548 ILXDDYZUWBKYQG-STZFKDTASA-N 422.575 5.584 10 40 HKCB COc1ccccc1/N=N/c1cc(C(=O)N(C)c2ccccc2)c(O)c2ccccc12 4545054 JRLSVDQJPGGSHX-CYYJNZCTSA-N 411.461 6.246 10 40 HKCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Cl)sc1Cl 6496373 NKHQDZPSRXAUPJ-UHFFFAOYSA-N 402.258 5.083 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl 9158501 KJJLGRBTKUKUMG-ANVLOLRKSA-N 417.321 5.178 10 40 HKCB O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830578 MYZCTTODDKBSOO-NTEUORMPSA-N 410.398 5.019 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3ccc4ccccc4c3)cc2)C1 260619365 KGVUORDUPXOKMG-VQTJNVASSA-N 402.538 5.332 10 40 HKCB CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1C 408960071 IZRLSRJGRJOICM-HAHDFKILSA-N 413.521 5.058 10 40 HKCB CC(C)c1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccc3cccnc3c2O)cc1 4959831 DCPIBHNVFMFQIT-AREMUKBSSA-N 424.544 5.902 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1 5137157 UBHDAJDTSGWOHF-YCWTWADVSA-N 419.554 5.076 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1 6898487 WCRNQNSYYFNUAI-JCGVRSQUSA-N 405.679 5.837 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)cc1C 15008332 DWMGBYHPRIGLFE-CIAFOILYSA-N 406.576 6.245 10 40 HKCB O=C1/C(=C/NC2CCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 103149582 UDNCYXIBHGPZSL-KNTRCKAVSA-N 416.550 5.244 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 106681424 NHXQKFZUMDRUIA-HMAPJEAMSA-N 418.518 5.339 10 40 HKCB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)cc2)n1 225292219 NDAJBDXMVRVJDP-NRFANRHFSA-N 416.569 5.030 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 225654463 YWIJXZVZXQRVMP-MRXNPFEDSA-N 421.532 5.989 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 409165434 YFKQICZOLVNGRJ-PBFPGSCMSA-N 405.679 5.837 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 409201532 MATQFVBBNZHLPZ-YBFXNURJSA-N 416.905 5.710 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC 409352743 YZOIWYHZGQKQBT-STZFKDTASA-N 421.543 5.653 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 3066821 PAVWUZMWFPAXJX-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)c1C 408819923 ZGYNYQCOSIZDAQ-UHFFFAOYSA-N 420.533 5.613 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1 409141591 JCPVMUOZBCZHDC-HMAPJEAMSA-N 408.567 6.019 10 40 HKCB CSc1cccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)c1 409331737 PGHFUTRHUKXQOD-OQLLNIDSSA-N 411.495 5.833 10 40 HKCB CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc(O)c1O 14727566 QLZMBCVLWOJASJ-UHFFFAOYSA-N 422.477 5.300 10 40 HKCB biogenic CN(c1ccccc1)c1ccc(C(=S)c2ccc(N(C)c3ccccc3)s2)s1 16188822 KKNSFZFDNCZYGR-UHFFFAOYSA-N 420.628 7.112 10 40 HKCB COc1ccc(C(=O)c2cc3c(cc2/N=N/c2ccc(Cl)cc2)OCCO3)cc1 30822811 YVMLDJWONBJZBX-OCOZRVBESA-N 408.841 5.766 10 40 HKCB N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12 49723403 RTTPILCNHQSEPO-MJEQIIAOSA-N 405.527 5.148 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Cl)cc1 59230213 LTTHWDJEOSITIP-UDWIEESQSA-N 416.864 5.212 10 40 HKCB Cc1ccc(COc2ccc(/C=C3/SC(Nc4cccc(C)c4)=NC3=O)cc2)cc1 97990571 VHUSFIMWYSQRJG-HZHRSRAPSA-N 414.530 5.965 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3C)N21 222678561 MBESXRNGGBTBMQ-CDNPAEQRSA-N 406.599 5.360 10 40 HKCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408599177 FPOBROKBKWJNIO-YVLHZVERSA-N 407.919 5.674 10 40 HKCB O=C(Oc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 408736624 XVICLSKGYBFAIA-OBDYRVMHSA-N 417.508 6.886 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408757869 QZSZFYPTBJEWIX-QRVIBDJDSA-N 418.928 5.565 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 409352734 YYDFNGLTNOXWFK-DHDCSXOGSA-N 408.888 5.119 10 40 HKCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2SC2CCCCC2)SC1=S 4567168 RQDVHHXRQXMOFG-LFIBNONCSA-N 408.570 5.241 10 40 HKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 4959597 JOKJMQHCVVMSMH-MTJIALIYSA-N 400.272 5.013 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 5005415 QANOGKARLIQJCQ-XDHOZWIPSA-N 411.935 6.314 10 40 HKCB COCCCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 9189312 MVJPOIQSPSAPOE-LGMDPLHJSA-N 421.628 5.225 10 40 HKCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 16733485 KIFVNBFHUALSJZ-JFENUBAZSA-N 413.951 5.449 10 40 HKCB CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S 59192227 BFTABQWLRZURAV-LICLKQGHSA-N 407.919 5.279 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 408757298 YGNHQVICBZSMDJ-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB O=C1/C(=C\c2ccccc2OCc2ccccc2)C(C(F)(F)F)=NN1c1ccccc1 408972710 QWBXXFGDWLZJHM-HKWRFOASSA-N 422.406 5.614 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)O)c3)C2=O)cc1 408983299 AMOUUDCGDWCILM-RCCKNPSSSA-N 411.457 5.255 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1C1CCCCC1 2674183 XLPQXXDVABPJTO-RCCKNPSSSA-N 409.576 5.800 10 40 HKCB O=C1Nc2ccccc2/C1=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 3648198 XYHPRDFBLAXXBN-PXLXIMEGSA-N 414.892 5.866 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@@H]21 7097682 RJCUQRQYGBIPBX-LJFZDNNRSA-N 402.335 6.943 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 223109208 BQPNIUMGQFJIMH-LEWJYISDSA-N 408.586 5.753 10 40 HKCB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(N2CCCCC2)cc1 223603836 AVNXCZXDSLDSAC-UHFFFAOYSA-N 406.954 5.019 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 224749006 JDGYTIPZRAGZHA-BHIFYINESA-N 422.613 5.999 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(F)cc1 408757098 WQMPDWRKUICPPT-UDWIEESQSA-N 411.263 5.967 10 40 HKCB O=C(Nc1ccc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 9554020 HURFWFDUTYRSFK-UHFFFAOYSA-N 424.500 5.459 10 40 HKCB Cc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1/N=N/c1cccc([N+](C)(C)C)c1 18057365 FZIVLAIWGJAHRT-UHFFFAOYSA-O 424.528 7.881 10 40 HKCB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 219321139 SVHRNBHJYBUNMA-XMSQKQJNSA-N 414.977 5.611 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 260753009 AONUXKQNOCGGRN-VSDWSMLSSA-N 418.566 5.174 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409331579 NVOHQTOOORIABG-CPNJWEJPSA-N 414.621 5.661 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OCC 409348472 NPIMMZNHLBKSDP-CPNJWEJPSA-N 417.527 5.419 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 5174119 GCEAYIJPDUXZGP-LTGZKZEYSA-N 410.473 5.125 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H]3CCCN4CCCC[C@H]34)c2c1 5519367 WDOZYYCIYOXKKX-QMHKHESXSA-N 409.961 5.726 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)cc2)CC1 222602830 BVEFENCBLVZBTO-NHCUHLMSSA-N 420.597 5.446 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)C1 225337423 FUVUMXBZNUVLRL-MRXNPFEDSA-N 405.369 5.479 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)cc1 408752372 IDBDPYFTWPCWCD-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(F)F 409353232 ZHDGURTZAYISEU-LICLKQGHSA-N 421.490 5.319 10 40 HKCB COc1ccc(C2=C/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)c(OC)c1 2076905 AUCCQSRZBKAOAI-RGEXLXHISA-N 408.453 5.992 10 40 HKCB Cn1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21 2422464 NVRVWKMOXLSPKX-FMQZQXMHSA-N 419.358 5.891 10 40 HKCB COc1cccc(OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 3458322 WCVIYNDRPWHDHU-UHFFFAOYSA-N 404.293 5.671 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 3659065 QIPMQWGEVNNSKD-MTJSOVHGSA-N 405.885 5.153 10 40 HKCB Cc1c(Cl)cccc1NC1=NC(=O)/C(=C\c2ccc(O)c(Br)c2)S1 6767326 RWLKYPLLPZEYOG-OVCLIPMQSA-N 423.719 5.199 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc21 208454080 QRMBXSLJJLFCMH-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222618671 BCYIWDLIGMDTMR-GLYQVZKVSA-N 416.594 5.695 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Cl)cc1 408759795 LSGLAHBAZRHPCD-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c1C 408812349 MTNWGQKTAZZLMF-UHFFFAOYSA-N 420.533 5.613 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Br)cc2)cc1 408840712 FDMHGNVBQJPKSX-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 3319374 NZJZFQFCXZXUAY-UHFFFAOYSA-N 418.331 5.971 10 40 HKCB COc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)c(OC)c1 12273942 IOYMYLBMECPPHH-LQHTZKGQSA-N 417.939 5.232 10 40 HKCB CCN(CCOc1ccc(OC)cc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 25763589 JRGMBLADXKQLLB-OCOZRVBESA-N 420.469 5.924 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 40006105 XFHSWXUXOYQZSD-ODLFYWEKSA-N 401.528 5.262 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/N(Cc1ccccc1)c1ccccc1 101114136 SRMQIJFZUMQRFE-HAVVHWLPSA-N 401.897 5.653 10 40 HKCB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224252896 CSJIHKDGLLQXGO-LOSJGSFVSA-N 424.573 5.666 10 40 HKCB CN1C(=O)/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC1=S 408726294 LCWWOYDOGLLFFS-POJNRUHKSA-N 405.504 5.792 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 409052063 FWUIYIFVJHCYAB-HMAPJEAMSA-N 419.571 5.948 10 40 HKCB CCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)ccc1OC 3640837 HZFXBOSCUCIPSU-HSZRJFAPSA-N 415.493 5.253 10 40 HKCB CN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)Sc2ccc(Cl)cc21 4088925 CDQGWFOZYKXOFI-VLGSPTGOSA-N 418.996 5.154 10 40 HKCB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2O)N3)C1 4554551 XMUNLYUKWSIBTM-BLVKFPJESA-N 400.544 5.432 10 40 HKCB COC(=O)[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 4747431 XSKUGWDSKISNIP-DEOSSOPVSA-N 400.430 5.062 10 40 HKCB COc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl 13940603 ZJIJXXKIGMFRPT-DHDCSXOGSA-N 410.347 5.403 10 40 HKCB O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 19831021 RHPWFSMGWWBNSF-IEVXNVSRSA-N 411.672 6.087 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)C1 44854938 KWCGUNFXMMHCHU-FGZHOGPDSA-N 419.613 5.012 10 40 HKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 58850693 GPAPNQZESWFQSC-FHSNZYRGSA-N 405.133 6.038 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)c(N4CCCC4)cc3C)N21 222677955 QOEFDZRLXYXSLJ-SXSPYAJSSA-N 406.599 5.278 10 40 HKCB CCn1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc21 409344312 IOFRMXCZRYJPPG-MOSHPQCFSA-N 407.564 5.133 10 40 HKCB O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(F)c(Cl)c1 9232301 TWNFXCUKJXTQAZ-AWNIVKPZSA-N 418.729 6.192 10 40 HKCB Fc1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928599 RXVVFCXBJLAVFR-DPLHUUCSSA-N 405.900 6.885 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223540768 WCZNYLNFLINVRB-JHDSZEHQSA-N 421.516 5.031 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 260777918 QSWQCCJEYSCPKF-NPFVIJTESA-N 404.583 5.303 10 40 HKCB CC(C)Cc1ccc([C@@H](C)C(=O)Oc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4659158 PQFOFXYEKLQDDR-QGZVFWFLSA-N 412.485 5.370 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 15008355 YHWFXIKWTWCJAR-CXUHLZMHSA-N 405.928 5.077 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C 222789717 USOFNEVFOAFHNJ-GMAHTHKFSA-N 404.583 5.098 10 40 HKCB O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1c1ccc(Br)cc1 6475365 FDPMIJVTHOGNQQ-KRWDZBQOSA-N 413.296 5.240 10 40 HKCB COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC(C)C 13041966 HXIILHNXXXMJQB-MTJSOVHGSA-N 410.539 5.429 10 40 HKCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1C 35646785 IJLFKROORICQML-NDENLUEZSA-N 419.462 5.554 10 40 HKCB Cc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1-c1cccc(C(F)(F)F)c1 70453974 FGVJLAVHINKPGH-UHFFFAOYSA-N 407.439 6.802 10 40 HKCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(N(CC)CC)cc1 100163360 ZVTYKLWULZFUFU-LTGZKZEYSA-N 406.486 5.027 10 40 HKCB O=C1c2ccccc2C(=O)c2c(/N=N\c3ccc([N+](=O)[O-])cc3Cl)ccc(O)c21 104107752 IEXCCPKNYHWLNG-FCQUAONHSA-N 407.769 5.145 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C 222827907 MEVALEWKRXZKSP-RPWUZVMVSA-N 418.610 5.432 10 40 HKCB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260839147 JDGYTIPZRAGZHA-BHDDXSALSA-N 422.613 5.999 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 408987839 YZWKEAOLHIJSHV-HMMYKYKNSA-N 412.445 5.465 10 40 HKCB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(C)c3)o2)SC1=S 409139477 AMBHQBHJOOJRJY-DHDCSXOGSA-N 408.342 5.239 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1C 409342055 BGERVVAFYGKHNL-PXNMLYILSA-N 410.347 5.716 10 40 HKCB O=C1/C(=C\c2cccs2)SC(=S)N1C1c2ccccc2Oc2ccccc21 17288257 ZTTLKTRQVAGUBZ-LDADJPATSA-N 407.541 5.845 10 40 HKCB O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N\c2cccc([N+](=O)[O-])c2)c1O 17303183 QSFJILOAMVJLLT-QPLCGJKRSA-N 412.405 6.121 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21 208222769 OFYFIKHODNHJEZ-OFNOZLENSA-N 424.541 5.784 10 40 HKCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260737378 JNJVQOUNWKEVHP-RDJZCZTQSA-N 402.007 5.932 10 40 HKCB CN(C)c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 4995816 YJXSVVJXMDQNKF-UDKPXMKSSA-N 410.565 5.839 10 40 HKCB O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccccc1 17353811 QKDGGRSEZDTZFJ-LZYBPNLTSA-N 415.337 5.336 10 40 HKCB COc1cc(C)c(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)cc1OC 33642653 UWLQHJLTAFZGNN-NVMNQCDNSA-N 402.903 5.056 10 40 HKCB CC(=O)c1c(CC(=O)c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1C 67340090 PCTFNAGMBKMNLH-UHFFFAOYSA-N 407.513 6.140 10 40 HKCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830624 BXPLOWSUYLOPTK-RIYZIHGNSA-N 411.291 5.307 10 40 HKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1Cl 113831202 YKJCHIBKZQDBNC-XDHOZWIPSA-N 417.983 6.442 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222688349 BLDKGCBTQNKUMA-NLSFWIRASA-N 424.614 5.306 10 40 HKCB Cc1ccc(C)c(NCc2c(O)c(Br)cc3oc4c(c23)CCCC4)c1 3208759 HBZZYCKMGMFBII-UHFFFAOYSA-N 400.316 6.009 10 40 HKCB COc1ccc(N2CCN(c3ncnc4scc(-c5ccc(C)cc5)c34)CC2)cc1 3298846 VGXUBWBZIFNJAK-UHFFFAOYSA-N 416.550 5.002 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1c(C)cc(C)cc1C 8397065 OXHIJIMJUGOLAP-WHEOYJBGSA-N 417.538 5.919 10 40 HKCB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2cccc(Cl)c2C)cc1 14153057 RGEXWJYOKZMHNN-UHFFFAOYSA-N 410.901 5.081 10 40 HKCB Cc1cc(CN(CCCn2ccnc2)Cc2cccc(F)c2)ccc1N1CCCC1 43277727 TVJCRGCVBODKMC-UHFFFAOYSA-N 406.549 5.023 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc2ccccc12 222736045 SXFWSVQSVGMLKQ-BJKOFHAPSA-N 412.562 5.245 10 40 HKCB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578899 WMDAPEUCRJBNAH-VNZMSGEBSA-N 408.586 5.575 10 40 HKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1C 408965444 HMCMKHMARFBUIQ-HAHDFKILSA-N 416.546 5.893 10 40 HKCB CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O 409339475 IRGFWYFFOFUTBG-BOPFTXTBSA-N 405.928 5.153 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1Br 981373 PJOHGOONXHVIFV-LICLKQGHSA-N 419.344 5.301 10 40 HKCB CCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc1OC 4649328 AOWCJZRBTWXGLB-QGOAFFKASA-N 412.917 5.642 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 32121276 QVQLTGLMGZMBNW-QKLQHJQFSA-N 413.926 5.359 10 40 HKCB O=C(Nc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 48290454 IXTAVCFQGMJRQK-QHCPKHFHSA-N 402.494 5.272 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=N)N12 103604809 ZKRAQJGEOPNGAD-GHSFWCQGSA-N 410.930 5.223 10 40 HKCB Cc1cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc(C)c1Cl 218925390 GUFCOJXGSGRXDE-VQIMIIECSA-N 414.977 5.449 10 40 HKCB Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222746471 CXMCGSZFMLKINP-RTWAWAEBSA-N 410.974 5.053 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 409345519 JCIHTEXYGIMVNS-AUQXIXNCSA-N 412.580 5.336 10 40 HKCB COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 409347471 PZHHJPAYAACKMW-UNOMPAQXSA-N 411.479 5.500 10 40 HKCB CN(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 5447411 SSCUOLZUNOACIC-UHFFFAOYSA-N 413.571 6.561 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1C 9190094 FPGRLVKLXVPYGR-JCMHNJIXSA-N 417.555 6.502 10 40 HKCB Cc1ccc2c(c1C)N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21 58928541 FJXBRHYRCJAMKI-DXBVXKBHSA-N 415.964 7.362 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc(C)c1Cl 218925148 ZEYNYRCCHWUHKM-IBGZPJMESA-N 414.977 5.449 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 409150957 FLRDUYJVJHVTAC-KEYYUXOJSA-N 405.679 5.837 10 40 HKCB CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O)=C\c1ccccc1 1263288 YJPFURNVXOAARB-QIROLCGISA-N 422.575 5.090 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1 2679473 CKHGGDHBQUPLDI-UHFFFAOYSA-N 421.591 5.999 10 40 HKCB CCN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S 2843937 ZWTFHXMHKBCRPB-YVLHZVERSA-N 424.374 5.794 10 40 HKCB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 6205349 VSCNEOMRDSWJLN-UHFFFAOYSA-N 410.901 5.081 10 40 HKCB Nc1ccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 7468406 ITLUPHDESDYEHB-UHFFFAOYSA-N 407.473 5.500 10 40 HKCB Cc1cc(O)c(-n2c(C)c(C)c3ccccc32)cc1NS(=O)(=O)c1ccc(F)cc1 16779653 GDQWRZBMSVVXHA-UHFFFAOYSA-N 424.497 5.201 10 40 HKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(C(C)(C)C)C3=O)o2)c([N+](=O)[O-])c1 35040014 PJWNZLHFWWQHLM-YBEGLDIGSA-N 402.497 5.163 10 40 HKCB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(O)c4)C3=C(O)C2)cc1 102727857 USRWMENNSRWMLN-OYHNWAKOSA-N 418.449 5.011 10 40 HKCB CCN(CC)Cc1cc(N)cc(/N=N\c2ccc3c(c2)c2ccccc2n3CC)c1O 104208602 BORCZSNPOIESBR-DQSJHHFOSA-N 415.541 6.359 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCSc3ccc(Cl)cc3)cc2)C1 260466102 CYMMHEZUKDWKSO-ZWKOTPCHSA-N 417.018 5.936 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(F)cc3)C2=O)c1 408754860 OQIFNNPCQYXTDR-KGENOOAVSA-N 406.844 5.322 10 40 HKCB O=C1S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1CC1CCCCC1 409131113 LXWXAKJYAPZEJY-XSFVSMFZSA-N 402.535 5.433 10 40 HKCB O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4539476 HWTRKWRLQBDHNK-MIZPHKNDSA-N 403.884 6.537 10 40 HKCB O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1Cc1ccco1 16669673 SWPVUAYSHKITRJ-LICLKQGHSA-N 401.896 5.594 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C 222962538 YPXNHYAZQIUJMC-DNQXCXABSA-N 418.610 5.570 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408752260 CPRYGFIGIIWKEP-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408755554 OKMAJCDWKZXLNS-DEDYPNTBSA-N 421.815 5.222 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]23)c1 409153202 LSTWTIKCQXIELW-PEBVRCNWSA-N 406.225 5.636 10 40 HKCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 409189190 FEFPWARGFSDAJB-XDHOZWIPSA-N 423.925 5.692 10 40 HKCB CCOc1c(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cccc1OC 409340507 YGPONHLLBOZRMT-ZHZULCJRSA-N 421.543 5.653 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 2075871 AYOXICMWRQJCCL-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB CC(=O)Oc1coc2c(/N=N/c3ccc([N+](=O)[O-])cc3)cc3c(C)cc(=O)oc3c12 4539430 YCHPRDXOTBJZKS-QURGRASLSA-N 407.338 5.097 10 40 HKCB CCCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c1 6804334 OBZBUJYLYWYBRZ-UHFFFAOYSA-N 406.526 5.367 10 40 HKCB CC(C)(C)c1ccc(O)c(CN2CCN(Cc3cc(C(C)(C)C)ccc3O)CC2)c1 19313326 GPWSYMDQFUVVMK-UHFFFAOYSA-N 410.602 5.011 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 33340207 VHEDJQFNTKKAHK-XNTDXEJSSA-N 408.342 5.320 10 40 HKCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 35145298 DSYIVEXHZYVNOC-FDIDITGRSA-N 416.930 5.608 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)CC1 219291905 IOEAXCNNIFMYNO-QZTJIDSGSA-N 400.950 5.221 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 408841091 FODCUPFZDPBLJW-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409352787 YVTOOKWDYSICGC-OTGIAGGSSA-N 417.527 5.417 10 40 HKCB CC(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 3999265 SUKYGHHMICKDFC-HHHXNRCGSA-N 422.613 5.309 10 40 HKCB biogenic Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O 5002815 VLGWTJRTLJBWAZ-UHFFFAOYSA-N 417.464 5.690 10 40 HKCB COc1ccc(C2=C/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O2)c(OC)c1 5526759 AUCCQSRZBKAOAI-XMHGGMMESA-N 408.453 5.992 10 40 HKCB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096043 HYLMNKPWEILMND-RQTOMXEWSA-N 414.530 6.714 10 40 HKCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 9310294 QJUJXTUBSYXZJY-GZTJUZNOSA-N 421.509 6.409 10 40 HKCB O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 13148150 LWZFGHIRDOZUNN-UNOMPAQXSA-N 419.311 6.489 10 40 HKCB O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1c1ccccc1F 15011938 KYZHZCBSURDUNW-HYARGMPZSA-N 415.514 6.538 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1 225813884 SVYCXSDHTIUYGD-IAGOWNOFSA-N 420.475 5.198 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)C1 260466230 IPJAAONCUVKVIL-HGNCSYERSA-N 404.598 6.111 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccc(C)cc3[nH]2)o1 408963042 LUQPVUHBJROYJP-AQTBWJFISA-N 414.490 5.422 10 40 HKCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 409051292 KEIJMRPGRNIZFM-RELWKKBWSA-N 411.501 6.306 10 40 HKCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 409331184 MKNFOUWZPFWGDO-NSIKDUERSA-N 416.738 5.758 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(F)F 409358631 MNHSRQRNRZPFQI-LFIBNONCSA-N 413.511 5.221 10 40 HKCB C[C@@H](OC[C@@H](O)CN(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 6082917 PCQAVHYILBMYFS-JPYJTQIMSA-N 417.977 5.319 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCC[C@H](C)C4)=NC3=O)cc2)cc1 6841157 RDVFVOKXKQLYDR-GFHXCNCHSA-N 406.551 5.276 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 9833684 BPZMYJPKCXFYRX-SEDUGSJDSA-N 418.718 5.716 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 83261493 IYFXZCWQCRQBFW-UNOMPAQXSA-N 411.479 5.500 10 40 HKCB COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 95465448 AGPPEFJZYGRRHD-UXHICEINSA-N 419.521 5.096 10 40 HKCB O=C1/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1C1CCCCC1 113830509 FPZOHEOXDCNTHL-MDWZMJQESA-N 417.339 5.436 10 40 HKCB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)CC2)cc1 260591937 NQXGLBANFGZTMA-VXKWHMMOSA-N 419.613 5.325 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(OC)nc3)C2=O)cc1 408765298 OWRJVUXGZXBWPL-AQTBWJFISA-N 418.880 5.224 10 40 HKCB CCCCC1(Nc2ccc(C)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 5584841 VGOMAUFZFRIUTI-UHFFFAOYSA-N 413.521 5.331 10 40 HKCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(C)c(Cl)c1 8437832 YOKIQETVSDCCNQ-YBEGLDIGSA-N 418.722 5.438 10 40 HKCB C[C@@H](SCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 12559917 GIKYEOJGJVSQRX-GOSISDBHSA-N 422.598 5.006 10 40 HKCB Cc1cc(/C=C2/SC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408850513 BGSGPGQVKOYYNX-LZYBPNLTSA-N 424.374 5.678 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)c1 409162636 GNJQTNSUXBTVGQ-WVQJBOLRSA-N 406.225 5.636 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccccc3OC(C)C)SC2=S)cc1Cl 409338765 AMKSLVICNRQJAD-ZDLGFXPLSA-N 419.955 5.542 10 40 HKCB CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc2ccccc12 1328815 TVYVJLNUNLTTHM-UHFFFAOYSA-N 417.534 5.463 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 4696481 HLCRLBLOMPBESR-IDUWFGFVSA-N 406.240 5.010 10 40 HKCB O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccccc1 59418067 VKKODRGIBXGBMX-KGENOOAVSA-N 421.518 5.811 10 40 HKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C 408757970 SXEOFMWPOVJVSP-PCLIKHOPSA-N 420.516 5.757 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409151853 HVCCOCNNJFSXIS-PEBVRCNWSA-N 406.225 5.636 10 40 HKCB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1 409177222 DYFQHTQMWJHJLD-MKMNVTDBSA-N 400.283 5.244 10 40 HKCB COc1cc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4975176 PXIYOTCBALVQRI-WTOJCKNJSA-N 406.309 5.846 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(OC)c4)ccc3o2)cc1 6630097 RSBJYVSSSCSQSK-UHFFFAOYSA-N 415.493 5.602 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 9833606 QHMGZHAVBAQNRN-FMTVUPSXSA-N 419.264 5.515 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 13616340 COGLTAWLMUZDMX-UGKGYDQZSA-N 411.288 5.941 10 40 HKCB COc1ccc([C@@H]2N=C(c3ccccc3)C[C@@H](c3cc(Cl)ccc3O)N2)cc1OC 57509311 KXYJXPGCVWVSOA-GBXCKJPGSA-N 422.912 5.285 10 40 HKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1cccc2ccccc12 58866000 YJVQAGLZTXDXFB-UHFFFAOYSA-N 414.457 5.173 10 40 HKCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccccc3Br)cc2)C1 218221514 PTVGGLXUCRZFBU-HZPDHXFCSA-N 401.348 5.176 10 40 HKCB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260578054 UZXHMVNMUYJEMR-MTNREXPMSA-N 408.586 5.493 10 40 HKCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)o1 408744494 YEQLGIWIBQKOAJ-GXDHUFHOSA-N 423.808 5.498 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408891886 DTHIYXGGNCKHBQ-YVLHZVERSA-N 402.277 5.179 10 40 HKCB CCCCCCC(=O)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408974691 GTIBCNKJRRUASB-UHFFFAOYSA-N 408.501 6.965 10 40 HKCB Cc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)o1 16663324 OKVOUZWYJGREPU-SAPNQHFASA-N 409.573 5.385 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4F)c3C)N21 222696499 WUPQPYKOTKGCSF-NLSFWIRASA-N 420.557 5.608 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(F)c4)c3C)N21 222696843 FJTCZCSKFBCTJE-CDNPAEQRSA-N 420.557 5.608 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222789571 RYSIQFGZVYNUAP-XZOQPEGZSA-N 404.583 5.098 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222790176 FTHXJVDBANBUDP-DHIUTWEWSA-N 404.583 5.098 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 224087598 KCTNIQAWZWJRBP-HXUWFJFHSA-N 406.570 5.058 10 40 HKCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408764818 AGKVEZZSLUHXRB-IGWPVBGESA-N 416.304 5.427 10 40 HKCB Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 408767623 FTUILAGQMGYOSE-UHFFFAOYSA-N 420.292 5.155 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(OC)c1 409130507 IFQDTPYABGAWST-DEDYPNTBSA-N 402.560 5.158 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 409348828 SRIOMTFNRJGTJS-FDIDITGRSA-N 403.956 5.923 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccc(F)cc3)c(N)n2n1 1396031 LHMZBGDFERTARU-UHFFFAOYSA-N 403.486 5.254 10 40 HKCB CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1 2512799 JDEWKRCUALVKHA-MRXNPFEDSA-N 422.366 6.795 10 40 HKCB Cn1cc(/C=C2\C(=O)N(CN3CCCCC3)c3cc(Cl)ccc32)c2ccccc21 9423603 QNDMJMANPMHJNZ-BKUYFWCQSA-N 405.929 5.162 10 40 HKCB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 12385129 DQXWFOCJQYKYMF-ARKGGFPYSA-N 406.957 6.181 10 40 HKCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Nc1nc2ccccc2s1 12580233 UBZLLQMZXAXDTF-ZROIWOOFSA-N 403.941 5.178 10 40 HKCB Cc1ccccc1-c1nn(-c2ccccc2)cc1C1Nc2cccc3cccc(c23)N1 70453970 RIMUDLZSYRXSBE-UHFFFAOYSA-N 402.501 6.537 10 40 HKCB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260800799 XMYFZVHSFLBGFI-SFTDATJTSA-N 408.586 5.438 10 40 HKCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409335379 ZKZOHRFLUHKZHE-KGENOOAVSA-N 405.544 6.033 10 40 HKCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 9188811 VMCSTSXOIOUTTR-QNGOZBTKSA-N 419.527 5.893 10 40 HKCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1 9188816 QFJQKALCMWZHTO-ZHZULCJRSA-N 407.491 6.024 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 59435706 JAICEWIVPVBKLS-SXGWCWSVSA-N 422.695 5.524 10 40 HKCB C[C@H](NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1nc(-c2cccnc2)cs1 78823229 LWWNIBASHVTHCU-INIZCTEOSA-N 423.626 6.357 10 40 HKCB Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1 222917873 RDWODLQVHXHLJF-DNQXCXABSA-N 418.610 5.426 10 40 HKCB CCOC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 408736205 LEARBPPUKQRVEW-SNUWEPMUSA-N 419.524 6.996 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409021502 KOLQFHOMOSZKGF-CXUHLZMHSA-N 409.338 5.846 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 409150956 FLRDUYJVJHVTAC-JKIFEVAISA-N 405.679 5.837 10 40 HKCB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409199027 AYLDVBFXGZYBCJ-XDHOZWIPSA-N 422.487 5.569 10 40 HKCB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S 1204031 KSAMHQVYEGQHPO-ODLFYWEKSA-N 412.967 5.564 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 4728028 UPZQBMUNPBQUAC-PBFPGSCMSA-N 404.691 5.627 10 40 HKCB CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 27018196 PZFTVJAZJWHCHQ-MOSHPQCFSA-N 419.575 5.397 10 40 HKCB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 102788941 RAIBDAIAWZVTTF-VWLOTQADSA-N 417.553 5.955 10 40 HKCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2C)C1=O 3769053 CUUTUILDMVKXKJ-PXLXIMEGSA-N 419.571 6.343 10 40 HKCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)ccc2O)N3)C1 4545439 GHNLJVKVRLUJGS-FVMDXXJSSA-N 407.333 5.160 10 40 HKCB Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1 5619433 DUNQBXXZZRRJCW-OVCLIPMQSA-N 408.331 5.343 10 40 HKCB CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1 5736354 XOFVDFLSIFXAJB-NCELDCMTSA-N 409.533 5.363 10 40 HKCB Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 13141863 APAAEVJIVAFCJI-UHFFFAOYSA-N 418.276 5.391 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 16160914 ACQLRDCABUWKSN-NVNXTCNLSA-N 408.716 5.519 10 40 HKCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1 96505137 FJWOLZUWKXIJOC-VGOFMYFVSA-N 418.729 6.192 10 40 HKCB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl 3035924 ZCCIKUSNQIEWEY-UNOMPAQXSA-N 411.935 6.314 10 40 HKCB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4873252 KOLACZLVBICEFL-VXUOGJGISA-N 417.509 5.436 10 40 HKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 6324121 CJINKZMNJHBIAR-FTRWYGJKSA-N 405.891 7.483 10 40 HKCB CCN(CC)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 15016301 YQLIOAJWLJSBJJ-ZJSXRUAMSA-N 403.551 5.837 10 40 HKCB C/C(NCCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17090446 VQJIEVUPVNAKBF-NKFKGCMQSA-N 415.924 5.197 10 40 HKCB CCCC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc(OCc3ccccc3)cc2)C1=O 33506176 VQAREFIHUMMGEN-XMMPIXPASA-N 414.505 5.367 10 40 HKCB in-vitro Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408761451 FNJSZPPODLFASM-KGENOOAVSA-N 417.852 5.391 10 40 HKCB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@]2(Cl)CC=CC[C@@]12Cl 1665055 BATMELCQLQGSTJ-ZIAGYGMSSA-N 418.918 5.984 10 40 HKCB Cc1cc(I)cc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4321194 WVZQWGLWOHMWAG-BXWFABGCSA-N 405.254 5.565 10 40 HKCB CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 6265012 WLFFEOZEOAPTFC-LICLKQGHSA-N 407.919 5.674 10 40 HKCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 13598560 YXJXXEZXZFMOLP-PXLXIMEGSA-N 417.306 5.922 10 40 HKCB O=C1/C(=C\c2ccc(O)cc2)C(CSc2ccc(Cl)cc2)=NN1c1ccccc1 13943996 MSJYVCLLGDPIJO-STZFKDTASA-N 420.921 5.624 10 40 HKCB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 17093391 SGBUEPAXQBTPGK-UHFFFAOYSA-N 422.937 5.315 10 40 HKCB O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1Cc1ccccc1 20324562 KDUNURVZQRPFRY-UYRXBGFRSA-N 423.584 5.973 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C 208307907 UBWMQZLUXPENRG-VVRYKASASA-N 420.578 6.035 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 217906881 SMYBAJNMVHSSNN-DKISHCGFSA-N 417.380 6.120 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)CC1 217990173 YVEISAFNMGWBGI-ZWKOTPCHSA-N 417.018 5.934 10 40 HKCB CC(=O)Nc1ccc(N=Nc2ccc(N=Nc3ccc(NC(C)=O)cc3)cc2)cc1 245239841 MOHHIDUYBMLZAV-UHFFFAOYSA-N 400.442 6.434 10 40 HKCB CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260742392 VRQJTSPVLIRMHU-RBUKOAKNSA-N 411.615 5.758 10 40 HKCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(F)cc1F 408537271 ZTVWLTZTQAMJLJ-ZROIWOOFSA-N 420.257 5.063 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 408758439 JZXAXPHDLWMREX-DEDYPNTBSA-N 409.272 5.534 10 40 HKCB COc1ccccc1[C@]1(CCNCc2ccc(N(C)C)cc2)CCO[C@@H](C(C)C)C1 5370643 PXFJASQJVKMLPY-CLJLJLNGSA-N 410.602 5.014 10 40 HKCB CC1=CN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 20266505 KLPUQTCZULSGAW-RRGLTGFNSA-N 404.278 5.420 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2Cl)c1 40007069 QWUFWHCTMMIXCY-PXLXIMEGSA-N 402.881 5.725 10 40 HKCB CCn1cnnc1-c1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 95369516 DBYFWZAXQLWGLV-UHFFFAOYSA-N 419.916 5.278 10 40 HKCB O=C1/C(=C\C(Br)=C\c2ccccc2)SC(=S)N1c1ccccc1 100504122 MITHORDOJMFMMW-ILYHAJGMSA-N 402.338 5.371 10 40 HKCB CCOc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1OC 1261049 NSVXMZCZRULHQD-LICLKQGHSA-N 422.428 5.195 10 40 HKCB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cc1 2512802 UJGAPFMEBDEISQ-CQSZACIVSA-N 410.311 5.680 10 40 HKCB Clc1ccc([C@H]2[C@H]3CC=C[C@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)cc1 4309489 ZRVUUSYPRMGSDR-NLJOHPHHSA-N 409.960 7.388 10 40 HKCB O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(Cl)cc1 7017984 BCDPERDUAALSBI-RGEXLXHISA-N 403.825 5.083 10 40 HKCB CCOc1cc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 13940157 WRSVLNHFMYAGKR-KGENOOAVSA-N 416.448 5.785 10 40 HKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)o1 408741090 GQENYMVGLHNFNK-PTNGSMBKSA-N 407.809 5.798 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2cccc(C)c2)cc1 408756529 SPLZGZJWTMDSAG-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 408978022 XRWIAUXRPSUODX-UHFFFAOYSA-N 400.437 6.309 10 40 HKCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 409047876 NOJSYVACVKONPO-GXDHUFHOSA-N 423.385 5.034 10 40 HKCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(-c2ccccc2)cc1 6961892 BVHWCEUBFQVLDM-AREMUKBSSA-N 409.558 6.458 10 40 HKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1C 8440226 CAMUYSQHAZHQDP-FTGFMQHASA-N 409.902 5.647 10 40 HKCB CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 13713803 NDAYTWYSEQCVDV-YBEGLDIGSA-N 408.470 5.177 10 40 HKCB CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC1=S 13898773 IVBYGCSKSYQLAD-AQTBWJFISA-N 419.955 5.019 10 40 HKCB O=C1/C(=C\c2c(-c3ccccc3)nc3sccn23)SC(=S)N1c1ccccc1 33502293 VSAPPGFUNUKXJE-GHRIWEEISA-N 419.556 5.469 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1 41083416 HJNKKEKFLVLVMM-NPAPQTCNSA-N 402.545 5.124 10 40 HKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc2ccccc12 113834950 BYIMGVYVEUJMHV-WOJGMQOQSA-N 416.354 6.552 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 225654491 YWIJXZVZXQRVMP-INIZCTEOSA-N 421.532 5.989 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)C1 225690049 UTMLKSFGAWARSF-HNNXBMFYSA-N 407.505 5.428 10 40 HKCB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260762261 HDMDHZKAAORQCE-RXFWQSSRSA-N 420.597 5.276 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Br)cc1 409051341 CGYJRVZUMUUMSC-NBVRZTHBSA-N 419.274 6.223 10 40 HKCB CC(C)OC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N 2260833 QCOFKKCBJJMOBF-UHFFFAOYSA-N 400.550 5.901 10 40 HKCB CCSc1nnc2c(n1)O[C@@H](c1c(O)ccc3ccccc13)Nc1ccccc1-2 4619063 UYMPJJAHTXDARR-FQEVSTJZSA-N 402.479 5.013 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 4698944 NRDYEOBJMGFFQC-FTLABTOESA-N 407.819 5.972 10 40 HKCB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc(Br)c1 15008584 UIMOYXHAVRPBAF-RIYZIHGNSA-N 410.745 5.508 10 40 HKCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 17123273 SPBWZEIULKGNCK-DHDCSXOGSA-N 405.281 5.207 10 40 HKCB COc1ccc2nc(/N=N\c3ccc(N(C)CCc4cc[n+](C)cc4)cc3)sc2c1 104205736 LMFNMZMMAMVZGN-QPLCGJKRSA-N 418.546 5.224 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(OC)cc3)N21 222718937 SLZCTUGUTCGWQA-NLSFWIRASA-N 418.566 5.169 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C 223540892 ZDURPROKXHFEMB-GFHXCNCHSA-N 417.553 5.200 10 40 HKCB O=C(CCNC(=O)OCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 408998663 NKJQZTWUPIABNQ-CYYJNZCTSA-N 402.454 5.357 10 40 HKCB CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1 409350360 YCIQQHLEUFQWIC-MOSHPQCFSA-N 405.500 5.171 10 40 HKCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 14086236 CMOZWYZVOUXTBE-UHFFFAOYSA-N 414.553 5.012 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 35040090 RMQRUYWFGNXNCK-KGENOOAVSA-N 406.576 5.927 10 40 HKCB Cc1ccc(-c2nc(-c3ccccc3)ncc2/N=N\c2cc(Cl)cc(Cl)c2)cc1 100135250 FOSKXNHOICZLSR-ZIADKAODSA-N 419.315 7.841 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C 208510072 QBKDMIYNPPTAGD-HMAPJEAMSA-N 415.537 5.110 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408903085 UKRUSAFRZIEFTE-HTMJNSLASA-N 403.956 5.923 10 40 HKCB COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 13617713 FKMGNNYORZNEIJ-DHDCSXOGSA-N 424.316 5.003 10 40 HKCB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 33633954 GAUPIIKIGYLTQB-QGOAFFKASA-N 412.331 5.101 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409151243 FUEKARHAJWFDSS-MVERNJQCSA-N 401.550 7.253 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc2c(c1)OCO2 409340262 SZPYPHXNJPVXAP-ODLFYWEKSA-N 407.472 5.081 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1 409352720 YGEKMPBVJDSLMO-MOSHPQCFSA-N 424.522 5.558 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 4501751 FQWGWMZFXMDCRU-UHFFFAOYSA-N 407.249 5.397 10 40 HKCB CCCN1/C(=C/C=C/C2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 4521457 FYFRDVQMVBTFEX-UHFFFAOYSA-N 413.629 7.121 10 40 HKCB CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)sc2c1 6631226 ZMPOAMHDKMELCQ-LDADJPATSA-N 406.511 5.030 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 32192950 DVJSXCPNEHBBTO-AHIWAGSCSA-N 404.691 5.627 10 40 HKCB CC(C)(C)c1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(C(C)(C)C)c1O 38188257 MNFLNQIZAHKRBP-MHWRWJLKSA-N 424.497 5.083 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)CC1 219058750 AEJSBKFGHBZCBI-ROUUACIJSA-N 400.950 5.221 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408770285 VPZYSERCSWJGKY-LFIBNONCSA-N 420.267 5.400 10 40 HKCB CN(C)c1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 5549668 NQVSALXMASODGJ-AAQGMKQJSA-N 401.554 5.414 10 40 HKCB Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 8450660 LLJZJAAICNRPKR-ROQGJMCKSA-N 417.321 5.178 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)cc1 8821341 CBDHMDWGTDVMNZ-BKUYFWCQSA-N 421.543 5.568 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 100879578 JKZXWJQNMSFOGV-VBHSOAQHSA-N 400.227 6.719 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(O)cc4)c3C)N21 222699013 AONUXKQNOCGGRN-JJEOQYAHSA-N 418.566 5.174 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 222898398 IZEFOCVARDOVBR-CJFMBICVSA-N 408.586 5.520 10 40 HKCB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 224170209 VASJVZNXTWZASI-WOJBJXKFSA-N 406.570 5.200 10 40 HKCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S 408604146 TUGWJCBOLHZPHN-VCHYOVAHSA-N 416.474 5.181 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Cl)cc2)cc1 408843888 SRWNHGNONUWQEZ-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB Cc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 408985047 KZFIBTWNJHWXGO-CPNJWEJPSA-N 406.312 6.773 10 40 HKCB Cc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 409109875 NBPZMNAPGJACIS-UCQKPKSFSA-N 404.941 6.291 10 40 HKCB Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccc32)cc1 409198626 CJCRWTXLTZWIEL-JJIBRWJFSA-N 408.501 5.546 10 40 HKCB COCCNc1cc(Oc2ccc(F)cc2)c2noc3c2c1C(=O)c1ccccc1-3 6756081 XVCXHTALYFVSRU-UHFFFAOYSA-N 404.397 5.029 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 7096916 KLQBNLNRIHAPJP-LGVFNWMJSA-N 402.335 6.943 10 40 HKCB COc1ccc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1OC 8493336 QNFRPZPQQUZREU-LZYBPNLTSA-N 409.294 5.093 10 40 HKCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59416951 FJEROMIUFNUDQK-XDHOZWIPSA-N 421.840 5.623 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=N)N12 103604843 ORVLVTPGGHHARR-NJOZZACWSA-N 410.930 5.223 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC 211634435 QXLIOFBVPJPDJT-MHWRWJLKSA-N 405.928 5.071 10 40 HKCB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 219376816 AOUJVRNGHSQFHV-URXFXBBRSA-N 408.586 5.575 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(F)cc1 222919564 ILDWPUAPHWZGEB-XZOQPEGZSA-N 422.573 5.257 10 40 HKCB Brc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1 409156665 LOHXGVJBQOWZHN-GIWBLDEGSA-N 402.335 6.943 10 40 HKCB Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccn4)c3C)C2=O)c1 409229764 USYXAEHMSJYDNA-MOSHPQCFSA-N 403.507 5.034 10 40 HKCB COc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)SC1=S 409331692 OKHPZBBUZKHWMM-XSFVSMFZSA-N 410.564 5.010 10 40 HKCB COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 4199906 MZPRADALSUCTGP-VKJFTORMSA-N 401.260 5.192 10 40 HKCB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1 5261766 XLHVKVPZJGJEAF-MRXNPFEDSA-N 406.555 5.261 10 40 HKCB Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1cccc(Cl)c1Cl 12551499 QBGAGHYIASKYCJ-SXGWCWSVSA-N 417.723 6.547 10 40 HKCB Cc1ccc(CN2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1 32594038 RPKHGJLWTNLPTJ-UDWIEESQSA-N 409.507 5.796 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(C)cc4)c3C)N21 260784176 VFFHWMXHQHWWAO-YGOYIFOWSA-N 416.594 5.777 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Cl)cc2)c1 408762891 LQPKIEZMPMMDIL-KGENOOAVSA-N 416.864 5.181 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@@H]2C=CC[C@H]21 409158306 SMGIXUZTDDKXHN-ARGWCVDVSA-N 414.299 5.291 10 40 HKCB CC(C)(C)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c2cc(C(C)(C)C)ccc2c1 4797231 RIFMQUQWUTXBDA-UHFFFAOYSA-N 411.567 5.941 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 5371926 HOGNNEGMXISNJB-SXGWCWSVSA-N 408.331 5.602 10 40 HKCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Cl)c(C(F)(F)F)c1 13228296 TZIVOGYHYMYKRI-QPEQYQDCSA-N 400.834 5.160 10 40 HKCB O=C(O/C(=C(\N=N/c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 104279768 CRYAIAGXVMJABY-LKWRTGPGSA-N 404.469 7.153 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 409152303 DWWQBBDHPWUBIR-SWYRRKHMSA-N 418.005 7.767 10 40 HKCB CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)c(CN3CCCCC3)c12 4622703 VXYNUZLGAZMRFC-UHFFFAOYSA-N 406.526 5.116 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC 211635703 JIRKSYFTYKNGGX-LFIBNONCSA-N 405.928 5.153 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1F 222828448 BBIKGZBNAKTMMG-YADHBBJMSA-N 408.546 5.009 10 40 HKCB CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225670763 VMHNBMPWFYLRDI-MOPGFXCFSA-N 411.615 5.758 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)SC2=S)cc1 409343733 GDMHMLLRKINEDR-NDENLUEZSA-N 408.548 5.637 10 40 HKCB CC(C)c1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3)C2=O)cc1 3060270 QDJXCTBVYIOWRM-VCHYOVAHSA-N 402.972 5.734 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@@H](C)N3CCCCC3)c2c1 8602883 ZOVSLDVNNYVHJF-QGZVFWFLSA-N 411.977 6.117 10 40 HKCB CCOc1ccccc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O 9188919 ONQDELDIZCWZLO-XLNRJJMWSA-N 406.551 5.010 10 40 HKCB CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2C)SC1=S 33430175 IOISSBINTOPYLK-HKWRFOASSA-N 413.564 5.064 10 40 HKCB CC[n+]1c(C=C2C=C(C)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C(C)=C2)sc2ccccc21 102137156 AEHMMKYBVOKIJU-BAMDZGJYSA-N 405.631 6.540 10 40 HKCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1 408772073 ALHUXOCJBOYWGZ-HYARGMPZSA-N 424.456 5.577 10 40 HKCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 3069363 CQVGMIGUSTWPAQ-YBEGLDIGSA-N 418.337 5.058 10 40 HKCB CN(C)c1ccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCCCC2)cc1 3166656 WCQCVZJBGSMJNF-XUTLUUPISA-N 417.622 6.109 10 40 HKCB CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc21 4517000 DSODRTOQQIPZBP-CPNJWEJPSA-N 416.883 5.999 10 40 HKCB Cc1ccccc1Nc1cc(N2CCCC[C@H]2C)c2noc3c2c1C(=O)c1ccccc1-3 4819923 WSSSTQYAVXPPGX-QGZVFWFLSA-N 423.516 6.470 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 4853953 COGLTAWLMUZDMX-SIKLNZKXSA-N 411.288 5.941 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13616342 COGLTAWLMUZDMX-KNQAVFIVSA-N 411.288 5.941 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O 33414285 VUOUYJYRMRAHGD-YAXRHUFXSA-N 416.365 5.801 10 40 HKCB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1ccccc1 224186803 MSQVWRRRZASPCC-RPWUZVMVSA-N 410.546 5.358 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408769555 NXCURWNQTCTXIJ-JCMHNJIXSA-N 413.473 5.121 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1 408903927 BINMYABEIWHLNB-NLRVBDNBSA-N 418.496 6.225 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 409003292 ZGROWZIFKBELBQ-WJDWOHSUSA-N 402.277 5.179 10 40 HKCB CC(C)n1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc21 409345738 JHNMHWXIYOBNEO-FYJGNVAPSA-N 421.591 5.694 10 40 HKCB Cc1cccc(Nc2cc(N3CCC(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 2261932 YNKNIFSDSOXAQG-UHFFFAOYSA-N 423.516 6.328 10 40 HKCB O=S(=O)(Nc1c(Cl)c(Cl)c(O)c2ccccc12)c1ccc(Cl)cc1 3185001 CCEZSXBRDIPRKY-UHFFFAOYSA-N 402.686 5.306 10 40 HKCB O=C1c2ccccc2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21 4257673 ZYJBQWBYBPKSSD-UHFFFAOYSA-N 420.464 5.620 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 4739407 JUJZHPMUVKGOGA-CAPFRKAQSA-N 411.461 5.132 10 40 HKCB Fc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(Cl)cc4)CC3)o2)cc1 8843405 ZJZMDKPZXIJMAY-UHFFFAOYSA-N 400.906 5.237 10 40 HKCB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 17090281 HNNMDYVPQQDOIE-QJOMJCCJSA-N 415.468 5.361 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916181 AFLVJSJCGOFTTI-HXINVUJDSA-N 407.642 6.540 10 40 HKCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225228139 OEMTXQIQUKGOTN-SJORKVTESA-N 400.950 5.466 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)cc21 260777974 QSWQCCJEYSCPKF-URZJWIJPSA-N 404.583 5.303 10 40 HKCB CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1 3182650 CHUULZGFMHQZDK-HKOYGPOVSA-N 424.500 5.108 10 40 HKCB Cc1cc(I)cc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4321196 WVZQWGLWOHMWAG-FCEWJHQRSA-N 405.254 5.565 10 40 HKCB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)oc2c1C 6804344 JYYSLTONWUHRGZ-UHFFFAOYSA-N 416.521 5.860 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 9188631 MGKAVKZDWYNJEH-ZDLGFXPLSA-N 419.955 5.462 10 40 HKCB N=C(N)c1ccc(/N=N\c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)cc1 17140350 XLJUNSXIULBDTE-ZIADKAODSA-N 409.449 5.497 10 40 HKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1 33458436 AWKUVVVQMJLMAI-NTUHNPAUSA-N 416.738 5.758 10 40 HKCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409102953 WVMIXWIPZBINEY-LICLKQGHSA-N 419.344 5.221 10 40 HKCB Oc1ccc(Br)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2745461 RBAFPHOWXLPNFT-HXUWFJFHSA-N 422.282 5.005 10 40 HKCB C[C@@](CCCCCN=[N+]=[N-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 95950111 KXSOLTXAQPSGPN-QHCPKHFHSA-N 422.485 5.239 10 40 HKCB [O-][N+](=Nc1ccc2c(c1)Cc1cc(F)ccc1-2)c1ccc2c(c1)Cc1cc(F)ccc1-2 104120730 PGTIPXHRXBMTBI-UHFFFAOYSA-N 410.423 7.033 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(N2CCC[C@@H](C)C2)cc1 219045234 PXMSYAVAYWGJOW-QHAWAJNXSA-N 416.565 5.721 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222871660 YKUKVXSQKCMIGS-GOTSBHOMSA-N 404.583 5.180 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578965 YCORUCXNBJTBSD-HCYUJWNOSA-N 408.586 5.575 10 40 HKCB CC(C)c1csc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)n1 604418498 DPLUFSBBWFGLAL-UHFFFAOYSA-N 400.503 5.036 10 40 HKCB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 1278074 RWRWPEVKLHPRKW-NRFANRHFSA-N 406.869 5.046 10 40 HKCB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCC(C)C 1296546 BWRLWGMJAIYHPN-UNOMPAQXSA-N 417.552 5.115 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccc2c(c1)OCO2 2248183 MYXAZPATCUNVKE-SOFYXZRVSA-N 424.330 5.124 10 40 HKCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 2406490 SUIQHLLUYPNUMG-WQRHYEAKSA-N 421.349 5.956 10 40 HKCB Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1 5182800 QHDHOTGPFKAILP-UHFFFAOYSA-N 407.510 5.448 10 40 HKCB O=c1c(-c2cccc(Cl)c2)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 944818 BYKFHSCEKSFEKX-UHFFFAOYSA-N 423.818 5.434 10 40 HKCB CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 4321337 POHNNZIHPZIYMQ-NEMUNFNQSA-N 412.489 5.692 10 40 HKCB Cc1cc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1 5261767 XLHVKVPZJGJEAF-INIZCTEOSA-N 406.555 5.261 10 40 HKCB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3O)C2)cc1 5675795 KVJZISHZHYRVTL-OAQYLSRUSA-N 406.869 5.046 10 40 HKCB COc1ccc2ccc(O)c(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2c1 8232246 DHCDRLTVMYNUQX-JOCHJYFZSA-N 405.494 5.052 10 40 HKCB Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] 16283208 XLVNZMNBPXJJTH-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260624887 WCIYSNIEFKPJSW-HMHJJOSWSA-N 408.586 5.575 10 40 HKCB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c2c1 409034002 GSQWBEMEUYOHBW-NDENLUEZSA-N 415.580 5.494 10 40 HKCB CCN1/C(=C\C=C2/SC(=S)N(C)C2=O)Sc2ccc(-c3ccccc3)cc21 1832552 YEZFJUVGGGOIAT-VHVWWYSBSA-N 410.589 5.501 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 8833790 IGLLTOLXOCIACE-QKIOLIMFSA-N 416.365 5.801 10 40 HKCB O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58847051 GMKPHGZNTUPASB-YZUZCNPQSA-N 420.509 5.453 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222618399 KDWTULICNUSHJM-ANJVHQHFSA-N 416.594 5.695 10 40 HKCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 408585413 DCWPZUZTXJSMNL-JCMHNJIXSA-N 405.494 5.198 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1 13217578 FWFJVHPGEJVBDT-GCXSFWCZSA-N 412.518 5.165 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1C 409204850 KJQFVWWZDBSGIU-CXUHLZMHSA-N 420.353 5.172 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(F)F 409363239 VDAPDHWGBNNDPN-BOPFTXTBSA-N 421.490 5.401 10 40 HKCB COc1ccccc1-c1c(C)oc2c(CN(CC(C)C)CC(C)C)c(O)ccc2c1=O 9531044 OALVGYGSBBMIKD-UHFFFAOYSA-N 423.553 5.597 10 40 HKCB biogenic CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 35042990 UKOHJLBYNHHOHV-MOSHPQCFSA-N 419.462 5.500 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1F 222828561 BBIKGZBNAKTMMG-VXKWHMMOSA-N 408.546 5.009 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(Cl)cc2)cc1 408841410 IWKAXFIBBVTRCC-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409342581 BTWPGOZHGNSBIJ-NPRIEWAGSA-N 413.564 5.587 10 40 HKCB CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4321247 AVJMLGPBLBABFW-AIQNWGLSSA-N 415.508 5.897 10 40 HKCB CCCN(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 4499108 KSZUJZBVURNBOV-NDEPHWFRSA-N 422.657 6.173 10 40 HKCB CN(C)c1ccc(/C=C2\N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC2=O)cc1 4579536 ZDAMOALXRUWZQH-XKZIYDEJSA-N 404.554 5.692 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(F)c2)cc1 5148398 BCYLGMCDRWDCON-GSLIJJQTSA-N 424.560 5.180 10 40 HKCB CC(C)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3Cl)C2=O)cc1 5413344 RYPHUVZSNMFGNR-WOJGMQOQSA-N 402.972 5.734 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 6886434 NPLHPEFVNGXRCT-XDHOZWIPSA-N 411.935 6.314 10 40 HKCB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)C(O)=NC(=S)N1c1ccccc1F 59139127 PTZOGIBRYHRPLJ-NBVRZTHBSA-N 402.450 5.164 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1 103916532 DTJGNJCLJQVIEA-QOMWVZHYSA-N 409.533 5.495 10 40 HKCB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218540751 ZLBJQJCNCBJTLR-RTWAWAEBSA-N 406.614 6.030 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)cc2)CC1 222602959 BVEFENCBLVZBTO-RTWAWAEBSA-N 420.597 5.446 10 40 HKCB CN(C)c1ccc(/C=C/c2cc3scc(-c4ccccc4)[n+]3c3ccccc23)cc1 1653699 ZDQMZCAKMDOMTN-UHFFFAOYSA-N 407.562 6.543 10 40 HKCB CC(C)c1ccc(N/C=C2\C(=O)N=C(S)N(c3cccc4ccccc34)C2=O)cc1 103114922 VVSJRNDJJDKKOW-XSFVSMFZSA-N 415.518 5.118 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Cl)cc3)C2=O)cc1 408760968 BNIJABPKNSGSBY-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1O 409341945 APVJQEJVAZXIPR-MHWRWJLKSA-N 405.928 5.159 10 40 HKCB C[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1 26675859 INTNPLASRNNQKM-VULIGXMUSA-N 417.555 6.232 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccccc2F)cc1 408740200 ALNYWUSDAAJGIM-CPNJWEJPSA-N 406.840 6.039 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(F)F 409342334 BHKAZHRJDYLSRL-YVLHZVERSA-N 421.490 5.319 10 40 HKCB O=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=N/c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 18038512 DGGOIOMXJOCAKL-QURGRASLSA-N 408.214 5.956 10 40 HKCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260578981 YCORUCXNBJTBSD-HMHJJOSWSA-N 408.586 5.575 10 40 HKCB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21 4090820 MCIYJCSAOJOHTR-NHCICSSKSA-N 411.457 5.111 10 40 HKCB O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1C1CCCCC1 16384245 NDULLRIWYZJHML-ZROIWOOFSA-N 400.338 5.122 10 40 HKCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1c(C)cc(C)cc1C 100524766 KDZVRELIPGFOLP-VQERKYHCSA-N 403.511 5.610 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1 222611971 LMPKRBGLNRKLDW-JJEOQYAHSA-N 402.567 5.387 10 40 HKCB Cc1cccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 408822750 VKJFCPSTLURVOL-MHWRWJLKSA-N 419.369 5.028 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)N(C)C2=S)cc1 409138031 YZIAGNCDQDVWMU-JCMHNJIXSA-N 423.582 5.223 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409155977 SGWYCMVNGVUJSQ-RLFDGXBXSA-N 405.237 5.426 10 40 HKCB CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(N(C)C)cc1 1323107 STFAFNSTEPHHIS-HSZRJFAPSA-N 420.553 5.315 10 40 HKCB biogenic CCn1c(/C=C/c2c(C)n(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O 5485438 PIHGQGUQAUVODK-ISLYRVAYSA-N 419.528 5.898 10 40 HKCB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(Cl)c1 8407632 NDUGIKJQGRAWMI-PJQLUOCWSA-N 410.303 5.128 10 40 HKCB CCc1ccc(NCN2C(=O)S/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1 16161960 JPZCVPMWJPUDQL-RCCKNPSSSA-N 409.555 5.201 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C 222785129 HAUDPCLVMRGYEG-LEWJYISDSA-N 410.974 5.135 10 40 HKCB O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 408757628 AYTREVKCXQJORJ-DEDYPNTBSA-N 420.827 5.012 10 40 HKCB COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(C)c1 408848581 XGBHVEZRVZPOPS-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 409059416 XETIFLDFUKZYMQ-ATVHPVEESA-N 420.336 5.557 10 40 HKCB O=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=S)N1Cc1ccccc1 1440504 GSLMWNIFRMCNKX-UNOMPAQXSA-N 411.935 6.637 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 3769035 DAZSZRBFIVCNAX-HAHDFKILSA-N 411.551 6.707 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(O)=NC2=S)c(C)c1 59137767 BQMRRRFSDMSIMS-LDADJPATSA-N 420.465 5.374 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 408941273 DLGJMCYDBJNPAD-UHFFFAOYSA-N 417.892 6.607 10 40 HKCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc2ccccc2c1 1218188 RQWGEUKYRLAQPC-AQTBWJFISA-N 424.572 5.131 10 40 HKCB O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 1781253 VJWBSWYUGZKYPA-WOJGMQOQSA-N 415.461 6.264 10 40 HKCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Cl)c(Cl)c1 6961506 NYHXJEFRFLNSKM-HXUWFJFHSA-N 402.350 6.098 10 40 HKCB COc1cccc(CO[C@H](C)C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 95465446 AGPPEFJZYGRRHD-WOJBJXKFSA-N 419.521 5.096 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccccc4C)=NC3=O)cc21 208449823 KOSIHEMLKORIOP-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408603778 FYVZBIFZVLJPMY-UHFFFAOYSA-N 417.939 5.094 10 40 HKCB Clc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1Cl 408736239 NJOHZXVLBSBJSC-IMWIBFENSA-N 408.328 7.612 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3C)C2=O)cc1 408986930 SXAZRXZPEVCELS-LTGZKZEYSA-N 415.920 6.518 10 40 HKCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1 1578236 KRAQMRWFTJNNIL-GIDUJCDVSA-N 410.303 5.128 10 40 HKCB Brc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4320323 ZXQVEPXPKIJYQR-RLFYNMQTSA-N 405.133 6.038 10 40 HKCB Brc1cccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 4815144 GAFVITSFVWWYCG-OCEACIFDSA-N 403.283 6.922 10 40 HKCB Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1 6804348 GLOMVISQAMYKKN-UHFFFAOYSA-N 402.494 5.551 10 40 HKCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S 8870004 FNIIDELHNIEDOI-NTEUORMPSA-N 423.346 5.077 10 40 HKCB CC(/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O)=C\c1ccccc1 13661050 IGLLTOLXOCIACE-YMGXUNRSSA-N 416.365 5.801 10 40 HKCB CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 19898682 BJYPTCSTEWHGCQ-OAHLLOKOSA-N 420.534 5.540 10 40 HKCB biogenic Cc1ccc(-c2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)o2)cc1Cl 23115457 GNRBLISCUBZYDC-UHFFFAOYSA-N 410.970 5.402 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cc(C)ccc2nc1N1CCCCC1 27548766 YJHAGNKURXPNKO-QJOMJCCJSA-N 410.521 5.340 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)C1 260467413 UJBWKWIISDTQDC-SRECOIMGSA-N 414.549 5.934 10 40 HKCB COc1ccc(Cl)c2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21 408737068 HGHSHMPVWWVJCY-YZIHRLCOSA-N 411.932 7.482 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1O[C@@H](C)CC 409341467 BCRPBACUTDWFLV-CPOQMQJTSA-N 419.612 5.797 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccccc1Cl 3152741 MHSMLGAOTAEQSW-ZROIWOOFSA-N 410.745 5.508 10 40 HKCB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=N)N12 103604840 NONAKSDYPMELNH-UOYIJQEASA-N 410.930 5.223 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 218736760 FDFBEWIAEWEOJN-LJQANCHMSA-N 414.977 5.613 10 40 HKCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC 409080260 MMYQUQCORNPZCB-XLNRJJMWSA-N 412.489 5.319 10 40 HKCB COc1ccc(C)cc1NC(=O)CSc1ccc(NCc2ccccc2O)cc1 624558 VAWSQMBJFZGNAR-UHFFFAOYSA-N 408.523 5.052 10 40 HKCB CC[C@H](O)c1ccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c(OC)c1 2101502 MMQFGDDRJDGHHV-KRWDZBQOSA-N 401.418 5.284 10 40 HKCB biogenic COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)cccc12 5008965 KOEPPEZDOONMCQ-UHFFFAOYSA-N 421.522 5.129 10 40 HKCB Nc1c(C(=O)c2ccccc2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 8424688 VOMOOPAXQVVYAQ-UHFFFAOYSA-N 418.452 5.019 10 40 HKCB CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12 19793055 WKMPGLLSWXXZLS-UHFFFAOYSA-N 419.908 5.841 10 40 HKCB C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc(-c2ccccc2)nc1 95465444 YJZAQMPYGYNJJD-LJQANCHMSA-N 409.489 5.253 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)CC1 219029695 WBXUVEGEENKQCB-SFTDATJTSA-N 416.565 5.721 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222789634 RYSIQFGZVYNUAP-DHIUTWEWSA-N 404.583 5.098 10 40 HKCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225668850 JAQGPVMOZJZOLG-CVEARBPZSA-N 418.006 5.633 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Br)cc3)cc2)C1 260466174 GRBQPAMRAXBMKU-JKSUJKDBSA-N 401.348 5.176 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Cl)c2)cc1 408770843 BEMPVPKNQDYCJS-CPNJWEJPSA-N 416.864 6.028 10 40 HKCB Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccc32)c1 409200292 RFNBWGHKNQWCKT-JJIBRWJFSA-N 422.528 5.854 10 40 HKCB CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2696915 LWYSVZHGJYWIGJ-UYRXBGFRSA-N 423.538 5.290 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1O 60512481 UQUXOZDNZKBOCO-MOSHPQCFSA-N 407.516 5.350 10 40 HKCB Cc1cccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)c(C)c2C)c1C 102947190 KBQLHHZOZSGQGO-XOXGWFOHSA-N 408.505 8.610 10 40 HKCB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1 224252813 CSJIHKDGLLQXGO-JWQCQUIFSA-N 424.573 5.666 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 409157057 OUSGSBONBZSZBZ-JJRVBVJISA-N 423.123 6.177 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 409164201 DXFUYDXCGNHHQC-QFSBIZTOSA-N 423.123 6.177 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c2ccccc21 409193589 HINDHRNEHFVEHT-KGENOOAVSA-N 401.466 5.218 10 40 HKCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2O)c1 843209 PTMVTEPPZDMRRN-XDHOZWIPSA-N 420.852 5.088 10 40 HKCB CC1=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C(C)N1c1ccccc1 3178526 VUSKRSKQNSJKAJ-UHFFFAOYSA-N 421.589 6.948 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(Nc3ccccc3C)=NC1=O)[C@@H](C)CC(C)(C)N2C 208233846 FHMWHQHZGCZFEB-RIWZNOJBSA-N 419.594 6.108 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4)c3C)N21 222694659 UHLHHCVTYCLMRD-CDNPAEQRSA-N 402.567 5.469 10 40 HKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c(C)c1 222745505 LTFKCZBUCFYCAL-GMAHTHKFSA-N 404.583 5.017 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21 409153074 KRYWZPHHEQEWMU-ZJNRKIDTSA-N 424.260 6.303 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1 7097698 ZGACXMVNYWOSNO-DRMXPCRNSA-N 402.881 6.742 10 40 HKCB CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S 16790603 QVTJNHWQRUBZKH-XMHGGMMESA-N 411.548 5.216 10 40 HKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(F)c1 33313222 QGALEDWDQNHBRP-AWNIVKPZSA-N 400.283 5.244 10 40 HKCB COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 59267141 FTQLDMVTJMBLFI-VBHSOAQHSA-N 422.269 5.571 10 40 HKCB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1C 100525044 CJZPYKCEMJHTSV-ZFZZVZNFSA-N 423.929 5.955 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 113839769 JIIPOVSIXBUVIX-SFQUDFHCSA-N 407.813 5.314 10 40 HKCB Cc1ccc(CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1 208223593 ZPPIBVPFWZLGNK-VYZAVGSRSA-N 420.578 5.954 10 40 HKCB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 222696995 HTXFWUGBBGBVHO-OFAXGOBFSA-N 420.557 5.608 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)COc3ccc4ccccc4c3)cc2)CC1 222837119 BFZQEJOUSZNKKW-HXUWFJFHSA-N 402.538 5.332 10 40 HKCB COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486805 NISITWDMQGXPRL-UWJYYQICSA-N 412.898 5.358 10 40 HKCB O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 408985022 KKNPUXOBYMXODA-KGENOOAVSA-N 415.876 5.505 10 40 HKCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1 409064435 DKJGOKZJLFLQNF-LPYMAVHISA-N 419.912 5.407 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 409174514 MYYGPQWNURWQIX-JKIFEVAISA-N 423.123 6.177 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(Br)cc1 1246839 IJOWXCGSDGPMAS-SXGWCWSVSA-N 415.337 5.336 10 40 HKCB Cc1cccc(CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c1 6256568 XOTWQGDZQGCVMA-BKUYFWCQSA-N 410.514 5.279 10 40 HKCB O=C1/C(=C\c2ccccc2Cl)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 6997738 YQOFNDHZKIUXGB-RGEXLXHISA-N 403.825 5.083 10 40 HKCB O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(F)cc1 8739716 ROOLIWDOCLWAML-BOPFTXTBSA-N 410.788 5.246 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3cccc4ccccc34)cc2)CC1 219044823 KUSAZGYUSVDPTL-NHCUHLMSSA-N 416.565 5.721 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)CC1 219291966 IOEAXCNNIFMYNO-MSOLQXFVSA-N 400.950 5.221 10 40 HKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 408864520 WSSJQALBDNVYBD-UMFSSWHCSA-N 411.501 6.099 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(C)C 409338711 OUHKCSXROSXRDG-DEDYPNTBSA-N 419.612 5.654 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4131809 IXGVBQGFTCJTJG-DJIOSBNXSA-N 414.461 5.187 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=S 9232378 HNWKFPXFHZCXSO-QGOAFFKASA-N 409.557 6.145 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c1 33626046 HZPSEEYRPUQTQC-CPNJWEJPSA-N 421.503 5.100 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCC4)cc3)cc2)CC1 44854068 IHUUVQSTCWFJDV-NRFANRHFSA-N 405.586 5.010 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(F)c(Cl)c3)cc2)C1 260732901 CRLCNDBKSARKDT-GJZGRUSLSA-N 405.970 5.763 10 40 HKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@H]21 409157466 QWEOHCABBWTBDN-CZIZLABSSA-N 417.780 7.204 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 2164724 FHRSKZKTAZCHRL-YBFXNURJSA-N 416.930 5.436 10 40 HKCB CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4280444 ACFFZMSJFUBOCZ-UHFFFAOYSA-N 409.917 5.560 10 40 HKCB COC(=O)[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)c1ccccc1 4747433 XSKUGWDSKISNIP-XMMPIXPASA-N 400.430 5.062 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 32192952 DVJSXCPNEHBBTO-DCGLDWPTSA-N 404.691 5.627 10 40 HKCB Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(Br)c2)c1 408761819 HUWLWTBQJZSBGG-CPNJWEJPSA-N 423.335 5.654 10 40 HKCB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1ccccc1 408841296 GASGACBZLLRAFE-HKOYGPOVSA-N 404.469 5.683 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@@H]2C=CC[C@H]21 409156293 RSKCYQDLZYNWOI-STXHMFSFSA-N 404.735 6.246 10 40 HKCB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3cccc(Cl)c3)cn2n1 1399473 SXIGKICJGNLQMM-UHFFFAOYSA-N 404.926 6.186 10 40 HKCB Cc1ccc(Oc2ccc3ccccc3c2/N=N/c2c(O)ccc3ccccc23)cc1 4681835 ZUYZDYSBSZICJO-ZQHSETAFSA-N 404.469 8.215 10 40 HKCB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4758063 KVGKTBJNHOCAGT-IQUTYRLHSA-N 401.260 5.192 10 40 HKCB Cc1ccc(Nc2cccc3c2C(=O)c2c(Nc4ccc(C)cc4)cccc2C3=O)cc1 5002964 YNPQDABMOAMHNC-UHFFFAOYSA-N 418.496 6.566 10 40 HKCB CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1 5177133 YDNOJNHXVVRUNA-DHTRNYPVSA-N 419.554 5.076 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 14472615 QDXAXZGKCRNMEP-YDIMBITNSA-N 418.880 6.867 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2ccccc2n1Cc1ccccc1F 100815649 WLJFHOOWKQKXDG-XQNSMLJCSA-N 409.464 5.635 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C 222790577 JHOBTVKCGVVUHL-VWNXMTODSA-N 418.610 5.407 10 40 HKCB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1 224220088 LEBKWALALXXCQE-JWQCQUIFSA-N 424.573 5.666 10 40 HKCB C[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCCC2)cc1 225663153 ZGOOROLJEIPTCW-HNNXBMFYSA-N 418.404 5.487 10 40 HKCB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408753853 KSJVRXUMVYEOHH-YBFXNURJSA-N 420.827 5.042 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1F 409019032 OLMIFFGYIFNLGW-APSNUPSMSA-N 406.240 5.010 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 409350277 XTYFPCFNZMJOPN-BKUYFWCQSA-N 406.576 6.074 10 40 HKCB COc1ccc(N(Cc2ccccc2O)C(=O)COc2ccc(C(C)C)c(C)c2)cc1 3209466 IAIWSRPWTKSTCW-UHFFFAOYSA-N 419.521 5.445 10 40 HKCB FC(F)(F)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 3671592 JKZXWJQNMSFOGV-FHSNZYRGSA-N 400.227 6.719 10 40 HKCB Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)OCCc1ccccc1 5182529 OHSZPTUZIROPRC-QGZVFWFLSA-N 407.510 5.221 10 40 HKCB CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 59474881 IEHTZDWSOLKPKE-LKUDQCMESA-N 410.517 6.090 10 40 HKCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 208222403 AQDSHQKEYUOBHY-RANIVTSPSA-N 424.541 5.784 10 40 HKCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC)c1C 222792908 DKVIBVLQSVZHKS-UPVQGACJSA-N 418.610 5.352 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(N2CCCCC2)cc1 225797421 NZWNNWGOKGIZHV-VQTJNVASSA-N 406.570 5.200 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Cl)cc1 408759767 LEXXBKWDSMNJLF-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1O 409093484 ZUGSIKKLQGRQJF-UYRXBGFRSA-N 418.880 5.279 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 409165525 ZCVZWMXVUVFYIZ-DINDLPBHSA-N 413.117 6.722 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)cc1 409339895 MOBUMXXRPFLXQC-FYJGNVAPSA-N 422.575 6.027 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc2ccccc12 409375304 ISYRGVRIBUILLM-HMAPJEAMSA-N 415.514 5.439 10 40 HKCB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1O)C(C)(C)N2 4696746 YWCPOXBJOWPTDW-QOCHGBHMSA-N 418.971 6.127 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1 8821569 PVVLALHPZJHUCE-PDGQHHTCSA-N 422.402 6.742 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1 214358078 RNXYJXWTKCHWHU-FYJGNVAPSA-N 406.482 5.470 10 40 HKCB COc1cc(C)c(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1C(C)C 408742170 NNTCJHWIZJJHAM-LICLKQGHSA-N 413.311 5.871 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408893890 OCXJIFKONGDMTJ-SXGWCWSVSA-N 406.240 5.010 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)cc1 408997000 FWIUNEGAHBLAEL-KGENOOAVSA-N 423.299 5.837 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccccc1 1786975 IOXICOOQLJCBHG-QNGOZBTKSA-N 403.528 5.880 10 40 HKCB O=C1C(=Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3018048 WGLOXSSPBVIIBN-UHFFFAOYSA-N 418.905 5.088 10 40 HKCB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 20037349 PQVOMQNOZOFZOD-JFNNLOOZSA-N 404.539 5.385 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S 208667069 MPFQKISMYSVTCG-DHDCSXOGSA-N 408.888 5.119 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 260762983 HYALREHPWQTQAM-FGZHOGPDSA-N 406.599 5.096 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408740603 CMTGASZTZLDGFE-ZROIWOOFSA-N 417.675 6.888 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(C)cc2)cc1 408758883 TYCRQJKRLIRBPP-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 408987361 WVVDGRIOXSBCSK-XMHGGMMESA-N 416.864 6.028 10 40 HKCB COc1ccc(NC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)S2)cc1 5796143 GTOBRURPJQYGBE-CPNJWEJPSA-N 409.898 5.222 10 40 HKCB CC1=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)C=C(C)N1C[C@@H]1CCCO1 6235995 RWLZHNUNURLBAY-NRFANRHFSA-N 403.571 5.565 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 6963481 PZQJZNKBJDNAGV-JCYRPKCISA-N 401.550 7.253 10 40 HKCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CSc2ccccc2)cc1 10113489 IYECDSHSOAZXAF-UHFFFAOYSA-N 402.563 5.509 10 40 HKCB O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Br)cc1 13121887 KJVCBZOAOWMSJT-FQEVSTJZSA-N 421.294 5.146 10 40 HKCB CC(C)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 33629623 DFMDVSRIIXRQBL-VKXGLNTFSA-N 408.571 5.790 10 40 HKCB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 89473564 DEQRKANJJXXFEK-WCYRKSIYSA-N 423.512 5.563 10 40 HKCB S=C(Nc1ccccc1)Nc1nc(-c2ccccc2)c(/N=N\c2ccccc2)s1 104113159 OBWUJDJNCSAJII-RQZHXJHFSA-N 415.547 7.034 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3C)N21 222678235 NXHBIACKYJWGAM-SXSPYAJSSA-N 406.599 5.278 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)c1 408754041 PFDYZGJRFHPUKW-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 408758072 GILPOIBBEHLGSW-QNGOZBTKSA-N 401.893 5.816 10 40 HKCB CC(=C/c1ccccc1)/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 1826555 IGLLTOLXOCIACE-RTNVFWHRSA-N 416.365 5.801 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N3C[C@H]1CC=C[C@H]21 3999524 CJDVXNWSHASYPB-DJIOSBNXSA-N 403.909 5.933 10 40 HKCB CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 4959838 KXGUMKSWYVWGFR-LJQANCHMSA-N 403.309 5.643 10 40 HKCB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 7378725 FXXVTUZDDYRRJX-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(C)c(C)c3)C2=O)cc1 17088921 IZZZRHVQPYNVHC-CLCOLTQESA-N 411.505 5.449 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 208442390 HONIUGIUXABGOX-XKZIYDEJSA-N 418.562 5.863 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 218088520 RXPOYRQMSIBIPC-GOSISDBHSA-N 417.018 5.936 10 40 HKCB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1 4689204 KEYLFHQXPIDQEN-DAYGRLMNSA-N 402.263 5.201 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 28290865 CNFGETXDAHDERN-UHFFFAOYSA-N 423.944 5.193 10 40 HKCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 32121190 ZOJXXDRSGRXKGD-VBQJREDUSA-N 404.691 5.627 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1c(Cl)cc(Cl)cc1Cl 101346758 JLNNVSMHFDADES-JYRVWZFOSA-N 415.107 6.019 10 40 HKCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 112125910 UWNIJVSYTOLHEL-YVLHZVERSA-N 405.241 5.010 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)S2)cc1 208231469 VDYNNPOCJCAEGW-RIWZNOJBSA-N 419.594 6.108 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(Cl)c3)N21 222720292 VLQXOWIYSFQNQQ-MAODMQOUSA-N 412.990 5.315 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577857 NROMPWHSEKXIBT-BSRJHKFKSA-N 414.977 5.611 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 408765951 SCEGBNOWGRMVRB-CJLVFECKSA-N 402.881 5.573 10 40 HKCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 408901281 DBHITMDKSQJUBB-PXLXIMEGSA-N 418.587 6.062 10 40 HKCB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(N(C)C)cc1 2290199 NPCVYDJMTFYRML-NTCAYCPXSA-N 420.534 5.310 10 40 HKCB Cc1c(Nc2ccccc2C(=O)c2ccccc2)nc2ccccc2c1-c1ccccc1 4058841 OAAKBJULNHHCFS-UHFFFAOYSA-N 414.508 7.185 10 40 HKCB C[C@@H]1N(C)c2ccc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)cc2C1(C)C 5173381 HKHFYQJRLZEXCN-AFMDSPMNSA-N 408.545 6.019 10 40 HKCB CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 9188577 KZXCIDSAAFHPAT-YBEGLDIGSA-N 409.454 5.510 10 40 HKCB CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3O)C[C@H]21 10215903 DNLGNANDJKVQJH-WZONZLPQSA-N 406.507 5.403 10 40 HKCB COc1cc(/N=N\c2ccc(Br)cc2)ccc1N1Cc2ccccc2C1 100288768 TWVFFLHSAFHEBJ-VHXPQNKSSA-N 408.299 6.393 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC)c1C 222783134 MSMIKFOHSPNAQU-DHIUTWEWSA-N 404.583 5.044 10 40 HKCB Cc1ccc(NC2=NC(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)S2)cc1 33759725 VCWDJVOUFCKQQF-HMAPJEAMSA-N 402.519 6.018 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112125257 FCQAQIMTFDYHBJ-MOSHPQCFSA-N 401.869 5.377 10 40 HKCB CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408972612 PRRJUYSCFWVPFO-ZHZULCJRSA-N 424.422 5.976 10 40 HKCB Cn1cc(-c2cc(-c3ccccc3)[n+](CCO)c(-c3ccccc3)c2)c2ccccc21 1250738 HBNCXYRDQBWOCJ-UHFFFAOYSA-N 405.521 5.459 10 40 HKCB CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 3768828 YOEGLSYSOSELQB-DEDYPNTBSA-N 413.564 5.507 10 40 HKCB Cc1cc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)c2cc1C 6747971 ZMQUHGLTJWQRMB-JOCHJYFZSA-N 420.553 5.245 10 40 HKCB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 10216005 SCMJVIXUSKAJOR-AUSIDOKSSA-N 421.884 5.082 10 40 HKCB O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccco1 16790829 PXWILYHBVZKYNY-AQTBWJFISA-N 413.520 5.033 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 3218111 KSXRJVXNUZAXOS-UHFFFAOYSA-N 406.532 5.586 10 40 HKCB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(/N=N/c2ccccc2)cc1 5787955 DCVGXXUONMVCRX-BYYHNAKLSA-N 409.445 6.051 10 40 HKCB COc1cccc(/N=N/c2c(N)nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)c1 8453284 HYBVJSXLRDFMHN-ZQHSETAFSA-N 420.476 6.070 10 40 HKCB Cc1cccc(C)c1NC(=O)CCNc1ccc(Cl)cc1C(=O)c1ccccc1 16362226 IPFMURYSIIPZKI-UHFFFAOYSA-N 406.913 5.629 10 40 HKCB CCCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 59418261 JHJBOQUMBQNRGY-OQLLNIDSSA-N 408.888 5.119 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916054 PGSCVRYPLPSIOE-FNKLRZSHSA-N 423.641 5.510 10 40 HKCB CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260742363 VMHNBMPWFYLRDI-OALUTQOASA-N 411.615 5.758 10 40 HKCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1F 40005901 MDZQHJOJMKMZDM-XDHOZWIPSA-N 417.527 5.025 10 40 HKCB Cc1cccc(NC(=O)c2cc3cc(/N=N\c4ccccc4Cl)ccc3oc2=O)c1 104293067 HYENGBBCWLYETF-RQZHXJHFSA-N 417.852 6.423 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(Cl)c3)N21 222720174 VLQXOWIYSFQNQQ-TYCQWZJGSA-N 412.990 5.315 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Cl)cc2)cc1 408765355 PEDCKGJNWKSFDN-KGENOOAVSA-N 406.844 5.322 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1 408984618 IOOZRKBXSOWGJB-XIEYBQDHSA-N 417.508 6.710 10 40 HKCB COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1OC 5661840 LCXGECAIXDGBAZ-PXNMLYILSA-N 409.294 5.093 10 40 HKCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 16157771 UAHKSRRXJNYYCS-XDHOZWIPSA-N 420.852 5.413 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(F)cc1 222829023 QVXRUQXODLSRAN-FCHUYYIVSA-N 408.546 5.009 10 40 HKCB COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 227486811 NISITWDMQGXPRL-LAUBAEHRSA-N 412.898 5.358 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3C)C2=O)cc1 408766405 QAQVYADRZFMDIY-QNGOZBTKSA-N 415.920 6.437 10 40 HKCB CC(C)n1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 409352092 WFGHVTPUAYCEOW-GRSHGNNSSA-N 423.519 5.536 10 40 HKCB O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2s1 635382 XNKWANOGEXWNFF-UHFFFAOYSA-N 406.507 5.151 10 40 HKCB biogenic Cc1ccc([C@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)cc1 904894 JALUXOUXIOZBRS-FQEVSTJZSA-N 405.291 5.340 10 40 HKCB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 2052999 KYXCEFWBIJQCAE-XDHOZWIPSA-N 411.935 6.314 10 40 HKCB CN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S 2847817 HVEMSUNUJKZUJW-AQTBWJFISA-N 419.955 5.019 10 40 HKCB Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 3652730 RCCLCIMZOLGWHT-CIAFOILYSA-N 419.912 5.462 10 40 HKCB CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4734724 NJECRFZYMUEURK-QHCPKHFHSA-N 418.541 5.123 10 40 HKCB O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1Cl 6045503 NMYHTZINRJYIBS-UHFFFAOYSA-N 401.318 6.033 10 40 HKCB COc1ccccc1/N=N/c1c(-c2ccccc2)nn(C(N)=S)c1-c1ccccc1 16930166 AEQJWPYADAYAEW-OCEACIFDSA-N 413.506 5.733 10 40 HKCB Cc1oc2c(CN3CCC[C@@H]3c3cccs3)c(O)ccc2c(=O)c1-c1ccccc1 32855936 TVOOHLIKFMUKMQ-HXUWFJFHSA-N 417.530 5.873 10 40 HKCB CCCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)SC1=S 33730932 JCUKXCDWINCFPW-FYJGNVAPSA-N 406.576 5.609 10 40 HKCB CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 103604846 SUHSGBIPOVAKSM-BAFKOHQRSA-N 418.566 5.775 10 40 HKCB CCCN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC1=S 113834602 RGWXXGCLDZUGDC-PXLXIMEGSA-N 419.571 6.030 10 40 HKCB COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 222369822 VSSFMNHIUGMXMU-TYILLQQXSA-N 406.309 5.846 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)[nH]c2c(C)cccc12 409033771 PLORTGWQFJXDQU-NTUHNPAUSA-N 419.353 5.286 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 2679702 ARGAKMWQPQLIHG-HAHDFKILSA-N 411.551 6.707 10 40 HKCB Cc1ccc(COc2ccc(/C=C3\SC(N4CCC(C)CC4)=NC3=O)cc2)cc1 9188882 DVGPCFVMJFMNDX-JCMHNJIXSA-N 406.551 5.276 10 40 HKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 35043398 YISZMNYNUKVLKQ-QGOAFFKASA-N 415.356 5.874 10 40 HKCB O=C1/C(=C/c2ccc(SC3CCCCC3)o2)SC(=S)N1c1ccccc1 41078006 HUOZGZVCAPDSSX-LGMDPLHJSA-N 401.578 6.110 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)cc1C 408810761 USBHANMSKQZVSS-UHFFFAOYSA-N 420.533 5.613 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 409236752 HAMJXIWCJUFELR-YBFXNURJSA-N 418.946 5.129 10 40 HKCB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 409245634 WUCGHJCWPCXBHH-ZHZULCJRSA-N 410.564 5.091 10 40 HKCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc2ccccc12 409328598 YJGYLRPQCGAFAJ-JWGURIENSA-N 416.571 5.846 10 40 HKCB O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 4131814 IXGVBQGFTCJTJG-WPUDHWPRSA-N 414.461 5.187 10 40 HKCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 5372345 CXTFWZWOPZIEIN-NTEUORMPSA-N 412.363 6.253 10 40 HKCB Cc1cc2oc(=O)cc(COC(=O)c3cc(C)n(-c4ccccc4)c3C)c2cc1C 6330668 GHAXNLGKLNKRAT-UHFFFAOYSA-N 401.462 5.174 10 40 HKCB O=C1/C(=C2/C=C(c3ccccc3)Oc3ccccc32)SC(=S)N1c1ccccc1 100264299 PQASNGVIWILYKZ-ZBJSNUHESA-N 413.523 5.896 10 40 HKCB Clc1ccc(-c2nc(-c3cccnc3)ncc2/N=N\c2ccccc2)c(Cl)c1 100393000 AOBKSXUVDPCRIB-DQSJHHFOSA-N 406.276 6.928 10 40 HKCB CCOc1ccc(-c2cc(C(=O)Nc3ccc(/N=N\c4ccccc4)cc3)no2)cc1 101224831 MUCIGDZOOYTERB-RQZHXJHFSA-N 412.449 6.408 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225770271 LSCSWLJCFLMDFR-OAQYLSRUSA-N 408.586 5.611 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1c(O)ccc2ccccc12 409075173 WZJMUMDESJISKQ-JWGURIENSA-N 417.505 5.109 10 40 HKCB CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409326714 DTYHIYIHZPYRFY-QGOAFFKASA-N 414.508 5.180 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCCC2 729119 AMQZDIDPLZCCSL-UHFFFAOYSA-N 410.539 5.791 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 3769489 HGCWZMJVBZAOTK-SGEFVQMOSA-N 421.946 6.062 10 40 HKCB Fc1ccccc1[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 4063809 FIVHFHLIFPNXEH-BQIOTCGZSA-N 422.341 6.483 10 40 HKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 14414947 CJBBXZOBBFKZHA-QJOMJCCJSA-N 403.522 5.115 10 40 HKCB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3ccc(O)c(O)c3)CCC[C@@]21C 33911926 MVEQVHMCOXYWCT-PVHODMMVSA-N 407.598 6.021 10 40 HKCB Cc1c(/N=N\c2cccc(Cl)c2Cl)c(-c2ccccc2)nn1C(=S)S 104225366 KTQLMCUTPVVWOT-MRCUWXFGSA-N 407.351 6.644 10 40 HKCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccc(Cl)cc1 222588751 MCQILKKTWIFFSG-IWMITWMQSA-N 408.958 5.423 10 40 HKCB O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408761143 CGTNYWSLEOFKEM-GHRIWEEISA-N 404.878 5.982 10 40 HKCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 2427948 PYCVVQVGLUXXNW-QNGOZBTKSA-N 419.527 5.893 10 40 HKCB COc1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCC3)cc1 3065961 ZTMLYXNNGHRFBT-UHFFFAOYSA-N 408.523 5.118 10 40 HKCB CN1/C(=C\C=C2/SC(=S)N(Cc3ccccc3)C2=O)C(C)(C)c2ccccc21 4579122 PQJULCZJVVGKEA-AXPXABNXSA-N 406.576 5.242 10 40 HKCB CCc1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 6943636 JVZNDOIMJDHZHN-ZWOKBUDYSA-N 401.291 5.680 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 9188857 VNIVAMMMPJAQKG-JWGURIENSA-N 406.551 5.420 10 40 HKCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 59566415 CXKQTFKSDVIOLJ-BOPFTXTBSA-N 416.304 5.175 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 218540513 HAMSBGDHEQGJLA-OAQYLSRUSA-N 406.614 6.030 10 40 HKCB CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222613351 OFUIIBVNOARHGU-DPSWKAHMSA-N 416.594 5.641 10 40 HKCB Cc1c(N2CCCC2)ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1Cl 260781563 SYRAEMHIQHAUTQ-XMDBHEJHSA-N 412.990 5.233 10 40 HKCB Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Cl)cc2)cc1 408765902 RLXWAJRBQBDJOE-KOEQRZSOSA-N 422.915 6.636 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)c1 409172525 JUTZAAZQBCHKAF-PSTGCABASA-N 423.669 5.976 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c[nH]c12 409181853 FZPQTLBETWPUDN-IUXPMGMMSA-N 416.930 5.929 10 40 HKCB CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCC[C@H](C)C1 1340053 QACNWQHIJLJTLS-INIZCTEOSA-N 405.995 5.210 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N=C2c2ccccc2F)c(C)c1 5124558 ZKIRNVKRHXPSDM-KQWNVCNZSA-N 413.496 5.343 10 40 HKCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1NCc1ccc(F)cc1 16448938 DRJJFEYJFALXPP-CPNJWEJPSA-N 405.856 6.073 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223538870 GTDMEDRTSVGIPJ-AKGOGDBKSA-N 406.551 6.040 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)Cc3cccc(Br)c3)cc2)CC1 225621193 APXIOKCDXRYJIA-QGZVFWFLSA-N 415.375 5.105 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(OCC)c3)C2=O)cc1 408984479 HPPAMSCDXIBQDH-OQKWZONESA-N 411.501 5.955 10 40 HKCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1 16283259 MJPGDUHXFGJELE-UNOMPAQXSA-N 422.487 5.569 10 40 HKCB CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S 32109496 CDKZVYFSPBMGNY-YVLHZVERSA-N 424.374 5.794 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(F)cc1 222614223 DBJXPRWGCJHYNF-RXYZOABWSA-N 406.530 5.218 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)cc1 408759005 WJRKDSXXAAEBPJ-XQNSMLJCSA-N 400.453 5.367 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccc1 409144275 OKSPKPPVUQVDDM-QJOMJCCJSA-N 416.546 5.763 10 40 HKCB Brc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]23)cc1 1031091 ZXQVEPXPKIJYQR-RVKKMQEKSA-N 405.133 6.038 10 40 HKCB COc1ccc(C2=C/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 2058511 BXTFSFAKKWJPGD-ZHZULCJRSA-N 418.876 5.909 10 40 HKCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12 5543685 DOVRELYJHQAZJW-UHFFFAOYSA-N 415.272 6.149 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1 15010116 SNTRBOTWYHSKEO-XKZIYDEJSA-N 420.509 5.778 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C 223613766 KKMCPHPOQVLXJL-VBNMEBLOSA-N 400.588 5.940 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccccc3Br)cc2)C1 260466338 PTVGGLXUCRZFBU-HOTGVXAUSA-N 401.348 5.176 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(F)c(N4CCCC4)cc3C)N21 260762955 HVYAMXQQNYXXRR-XGRCMKMKSA-N 410.562 5.109 10 40 HKCB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc2ccccc12 409379710 ZPNAJRDXWPHYAE-UDWIEESQSA-N 415.495 5.352 10 40 HKCB CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1 4150665 RPRUOEQNNOUZFB-HNISDHJISA-N 404.539 5.385 10 40 HKCB Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCCO3)C1 4158412 LTDXWBNPUOKHCT-FQEVSTJZSA-N 406.869 5.173 10 40 HKCB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 7378325 VOCQIUQLYPVELU-UHFFFAOYSA-N 404.510 5.014 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 13899286 ASLXMDFMCUGYIZ-JCMHNJIXSA-N 402.881 5.725 10 40 HKCB O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc3c(c2)OCO3)N1 408861560 SPBPPIAQLHXUDG-TWKFVSLJSA-N 421.452 5.017 10 40 HKCB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S 5174496 IMEFVOPLLUJFHN-CXUHLZMHSA-N 410.486 5.334 10 40 HKCB Cc1ccc(C2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 5543833 NFPBHSWPWBZSOA-NDENLUEZSA-N 404.447 5.533 10 40 HKCB CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cc1 6896894 JDEWKRCUALVKHA-INIZCTEOSA-N 422.366 6.795 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1OC 13063160 RHKWRWBLECIVBT-BOPFTXTBSA-N 405.928 5.153 10 40 HKCB C/C(Nc1cccc2ccccc12)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17082673 SDQOTJITRLXKLH-PLRJNAJWSA-N 403.485 5.977 10 40 HKCB CC[n+]1c(C=C2C=C(C)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C(C)=C2)sc2ccccc21 102137149 AEHMMKYBVOKIJU-SQOUVECCSA-N 405.631 6.540 10 40 HKCB CCCn1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 409346789 NZXCSUHJQBCTHE-DEDYPNTBSA-N 408.548 5.466 10 40 HKCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S 1179600 BANXDEFKYMWCSB-SXGWCWSVSA-N 410.347 5.403 10 40 HKCB CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S 2673006 JIPPAEVWQVQEGO-LCKBGRROSA-N 423.559 5.307 10 40 HKCB C[C@@H](OC[C@H](O)CN(Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 6082910 PCQAVHYILBMYFS-WZONZLPQSA-N 417.977 5.319 10 40 HKCB COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)ccc1O 7596944 KZWAEKCNRFBIRB-IIBYNOLFSA-N 412.898 5.358 10 40 HKCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(C)cc(C)c1 13661296 AQOHOSGMSHELRG-LTGZKZEYSA-N 404.539 5.802 10 40 HKCB CC(C)c1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 80348221 ORNPYRJRWHXRPW-KKVJOTPGSA-N 422.941 5.325 10 40 HKCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112287114 CFHTZRBBWFPHLG-UYRXBGFRSA-N 416.294 5.477 10 40 HKCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1 408755477 NWPUUTSUCQSDOW-DEDYPNTBSA-N 411.263 5.967 10 40 HKCB Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c2ccccc2Cl)=NN1c1ccccc1 5664720 NVBOPDGVMHHYNE-HXUWFJFHSA-N 417.723 6.708 10 40 HKCB CCc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1 6804342 ORZCGUXFYNRTHI-UHFFFAOYSA-N 416.521 5.805 10 40 HKCB aggregator Oc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 106937246 GUKHASSSDSURRJ-UGKGYDQZSA-N 421.294 5.397 10 40 HKCB COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 113832696 BYKZPRRWKYQAGV-KGENOOAVSA-N 420.559 5.509 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(F)cc1 222919631 ILDWPUAPHWZGEB-GOTSBHOMSA-N 422.573 5.257 10 40 HKCB Oc1ccc2ccccc2c1CN(Cc1c(O)ccc2ccccc12)C1CCCCC1 1679504 WEUJGAHGBPEZIT-UHFFFAOYSA-N 411.545 6.739 10 40 HKCB in-vitro Cc1cc[n+](CCCCC(=O)Nc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 4114015 HCFIAHBYKKSPRL-UHFFFAOYSA-O 418.477 5.415 10 40 HKCB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 4263955 UUPXBRSHVYHWOE-CYYJNZCTSA-N 411.848 6.709 10 40 HKCB CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@H](CC)N21 260753126 BLDKGCBTQNKUMA-PDIWNELESA-N 424.614 5.306 10 40 HKCB C1=C[C@H]2c3c4c5c(c6c3N(C[C@H]2C1)C[C@@H]1CC=C[C@H]61)[C@H]1C=CC[C@H]1CN5C[C@@H]1CC=C[C@@H]41 408731030 IMIXCJGIPPIHNN-FOJXQPQASA-N 420.600 5.993 10 40 HKCB O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCCCCC1 408735385 PGLZLJKBCLYSRU-UHFFFAOYSA-N 420.516 6.497 10 40 HKCB CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408903462 YFIWHJHJFNAHFL-LFIBNONCSA-N 420.353 5.254 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409329743 HPLFPLHRMDKLRG-STZFKDTASA-N 405.544 5.953 10 40 HKCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 4541622 ADRDJKQLZKGRFI-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 7096158 RNSCSHGUBZRHLT-WZOHSFFVSA-N 414.530 6.714 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 8821857 IOYQFYLDXMXYJW-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 9309650 NWZOKQXLPSTAMY-XYSCVJGBSA-N 423.517 5.043 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(C)c2C)C1=O 11859671 YJPFURNVXOAARB-HIBZGYDWSA-N 422.575 5.090 10 40 HKCB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58845659 YPYHXDHDTXCQCP-BPYKYCOYSA-N 416.546 5.622 10 40 HKCB COc1ccc(/N=N\c2ccc3oc(=O)c(C(=O)Nc4ccccc4C)cc3c2)cc1 104306178 ZJVMYWTYUAFFOA-RQZHXJHFSA-N 413.433 5.778 10 40 HKCB CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C 208322156 USYXBNNGGAIXAV-RDPIHGLISA-N 421.516 5.031 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSCc3ccccc3Cl)cc2)C1 260466329 OXYGQDSLDXUAKB-ZWKOTPCHSA-N 417.018 5.687 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc2ccccc12 409057163 UOMBEBPKARQNMX-RGEXLXHISA-N 403.865 5.370 10 40 HKCB Cc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O 4571314 NVGVUQORWSKBCQ-ZKANADHPSA-N 407.333 5.078 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 7093098 JGTGNIASKOASRP-NVGCLXPQSA-N 405.133 6.038 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 12123073 UMPZWLRZMXVDBQ-HRBPJWPPSA-N 416.911 5.432 10 40 HKCB O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(Cl)c1 33316912 CVDXMWBHGLWKGF-AUWJEWJLSA-N 411.291 5.307 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 59267089 MKOFQTBORATOJG-VGTOOOLASA-N 404.691 5.627 10 40 HKCB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]21 100027414 DCRGAADTEDREEN-CBHGBUNPSA-N 421.456 5.061 10 40 HKCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1 103918790 BSTZBNMZGMIECM-MOSHPQCFSA-N 418.324 5.891 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 222898529 KHIHZTNPVJPQGC-OHUGHZGNSA-N 408.586 5.520 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C1=O 409010320 JWFXHVMKMNENOZ-MDBUFAAASA-N 413.499 5.146 10 40 HKCB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c(C)c1 924829 JBOOUWHHTSYIRL-FQEVSTJZSA-N 421.566 5.077 10 40 HKCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1 1824278 YFTZHXPYXMWNMQ-HKWRFOASSA-N 424.591 5.178 10 40 HKCB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1 6593864 KFJGBOFYTDFVTH-UHFFFAOYSA-N 424.570 5.344 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 6630086 OFAFQYNCZONWLO-UHFFFAOYSA-N 415.493 5.359 10 40 HKCB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(CSc4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 7096055 QETBCIRRLMCIDF-RQTOMXEWSA-N 414.530 6.714 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC 15008436 FETGSQOKPXHNLB-MHWRWJLKSA-N 405.928 5.071 10 40 HKCB CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1OC 18190480 HKCRQZKYEZZYKD-QHCPKHFHSA-N 415.493 5.253 10 40 HKCB O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(O)cc1 408739509 XDZYWSKFVPBPIR-NBVRZTHBSA-N 418.290 5.626 10 40 HKCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)cc1 408945805 XKIFPOMZRHVHDG-LFVJCYFKSA-N 410.473 5.016 10 40 HKCB CCc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 409154128 JVZNDOIMJDHZHN-HLIPFELVSA-N 401.291 5.680 10 40 HKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OCc2ccccc2)ccc2ccccc12 3771146 QWJDNTFUTVEYBA-UHFFFAOYSA-N 414.457 5.173 10 40 HKCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cccc3ccccc23)cc1 24768356 GKZIAAVRYZKHJR-JOCHJYFZSA-N 403.526 5.119 10 40 HKCB c1ccc(-c2cnc(SCc3nc(-c4ccco4)no3)n2Cc2ccco2)cc1 40057433 JMUBPSWHMQALFD-UHFFFAOYSA-N 404.451 5.127 10 40 HKCB O=C(Nc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 48290456 IXTAVCFQGMJRQK-HSZRJFAPSA-N 402.494 5.272 10 40 HKCB Cc1cc(C=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 96525836 CJSTZEOUSSCACM-UHFFFAOYSA-N 404.344 5.626 10 40 HKCB O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(O)cc1 408985850 NPZRZGRZWUFSOF-SFQUDFHCSA-N 408.284 6.170 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Cl)c1Cl 409059257 MAKXYGDYRDUQPU-RAXLEYEMSA-N 422.695 5.524 10 40 HKCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\Sc4ccccc4NC3=O)c2C)cc1 409120482 VXZWFABPCQMYHI-HMAPJEAMSA-N 418.518 5.356 10 40 HKCB CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O 409345941 LVZJLIZFBHZDMV-BXUJETTOSA-N 415.605 5.992 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc2)CC1 219029539 WBXUVEGEENKQCB-LEWJYISDSA-N 416.565 5.721 10 40 HKCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222612849 AKWSWGCQEMHNIM-PKKBDPGCSA-N 416.594 5.641 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O 408598901 CJFNFYOOUQQSPH-HMAPJEAMSA-N 419.571 6.280 10 40 HKCB CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)CC)C3=O)c2C)cc1 409013429 UYRGGDYHNUGMGD-QFNCUCFLSA-N 410.583 6.272 10 40 HKCB CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 409347476 QDPCHANRKKUAGT-LZYBPNLTSA-N 423.346 5.358 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1Cl 660199 MCZIRAPKFFDBQQ-RGEXLXHISA-N 411.885 5.006 10 40 HKCB Cc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 4321216 NGRNPJMUOOSRQA-JFLVIDOFSA-N 418.378 6.652 10 40 HKCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3C)c12 5182444 HLOYXHLODVKAIN-UHFFFAOYSA-N 400.906 5.503 10 40 HKCB CC(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 9188565 YDFUVKZYVYXKKK-YVLHZVERSA-N 407.482 6.235 10 40 HKCB O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccccc1 12466892 TZJGFJCPUKXSJY-STZFKDTASA-N 421.518 5.811 10 40 HKCB COc1cc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 37170897 GBFLRZKHOOTPQC-XFQAVAEZSA-N 414.343 5.910 10 40 HKCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 217906956 SMYBAJNMVHSSNN-BHMZLHOFSA-N 417.380 6.120 10 40 HKCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)c3ccccc32)cc1 6085600 GLOQRJUPOIVXHG-KQWNVCNZSA-N 407.473 5.065 10 40 HKCB C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)coc23)C1 20231470 WFRSFJHNRAQMBY-CQSZACIVSA-N 406.507 5.007 10 40 HKCB biogenic Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C 222618456 KDWTULICNUSHJM-JKFKMHIGSA-N 416.594 5.695 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3OC)C2=O)cc1 408767162 WBELSOWKGNBCSM-CYVLTUHYSA-N 417.892 5.829 10 40 HKCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1Cl 409056868 OVWCQDKLMCOIQK-LGMDPLHJSA-N 420.336 5.557 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 409164198 DXFUYDXCGNHHQC-JKDFXYPNSA-N 423.123 6.177 10 40 HKCB CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409339718 LEQZAXUAEFDTTM-MOSHPQCFSA-N 412.580 5.193 10 40 HKCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 5371492 LETZTICCEMGVKN-OQLLNIDSSA-N 412.363 6.253 10 40 HKCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 54360639 AMQIBAIMEVMJDT-DHDCSXOGSA-N 408.888 5.119 10 40 HKCB CC(C)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3Cl)C2=O)cc1 108861591 RYPHUVZSNMFGNR-WQRHYEAKSA-N 402.972 5.734 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc2)CC1 219029619 WBXUVEGEENKQCB-RTWAWAEBSA-N 416.565 5.721 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(Cl)cc2)C1=O 408755328 KCPOYPUCCBPBKH-XSFVSMFZSA-N 406.844 5.322 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl 408891704 BPZPHJQLHHBASX-BOPFTXTBSA-N 416.304 5.487 10 40 HKCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1 17086119 SAZGGOPOSNXANQ-HZHRSRAPSA-N 412.489 5.389 10 40 HKCB Clc1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@H]3CN42)cc1 17265083 ZRVUUSYPRMGSDR-KTCXRXHYSA-N 409.960 7.388 10 40 HKCB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc21 208459879 NQOTZVBDOWLYGE-XKZIYDEJSA-N 415.537 5.028 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(CC)cc2)c1C 222873103 UMOWAMYMVNMLNA-BJKOFHAPSA-N 418.610 5.434 10 40 HKCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc21 223492775 XLAKDFVXCSKRQQ-HMAPJEAMSA-N 418.562 6.338 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408784730 SEUKJYCEAGOMCT-LGUFXXKBSA-N 417.512 6.259 10 40 HKCB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408841558 JTBWXPICGNQSEG-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)SC1=S 409369895 HEXZSOFNHJXGKB-YBEGLDIGSA-N 421.385 5.078 10 40 HKCB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 2249764 RSULXSVOUGRRFJ-APSNUPSMSA-N 424.330 5.124 10 40 HKCB CN1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccc(Cl)cc21 4106160 ZKLWNRAIXBCVFA-PEZBUJJGSA-N 408.932 5.255 10 40 HKCB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c(O)c1 4554619 LYBJCJRQHNNRHG-XCLFUZPHSA-N 414.571 5.822 10 40 HKCB CC(=O)Oc1c(Cl)cc(Cl)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 408743409 SWEPFRPKFNKHCB-AWNIVKPZSA-N 409.652 5.553 10 40 HKCB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 408775888 WCNRHWUQEBTZEM-XSZPGNIMSA-N 417.578 5.565 10 40 HKCB COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c(OC)c1 409053947 DYFUDAUPJRZEDJ-XMHGGMMESA-N 400.430 5.477 10 40 HKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409170227 UFJNMVQIFMKMES-KEYYUXOJSA-N 405.679 5.837 10 40 HKCB Cc1cc(Sc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 3243486 JVFLEEIIAJTBBY-UHFFFAOYSA-N 403.301 5.916 10 40 HKCB CC(NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 4808266 HIEXCCQKJCEADK-CYYJNZCTSA-N 404.314 6.107 10 40 HKCB Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1 5182502 NALSTHBHEYCJPQ-UHFFFAOYSA-N 406.526 5.808 10 40 HKCB Cc1cc(C)cc(NC2=NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)c1 6571472 OECJAVRUVUEKRA-BKUYFWCQSA-N 409.530 5.434 10 40 HKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 8821864 OKDGZJIOEMOLTP-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB COc1ccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)cc1 107761080 DYMAEXOUZXTISG-DHDCSXOGSA-N 424.316 5.003 10 40 HKCB COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(C)c3)C2=O)c1 408753558 JLQFOIMZZSLTPI-PXLXIMEGSA-N 402.881 5.492 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(OC)c3)C2=O)cc1 408755489 NZHZZCQWWSFCNC-RGEXLXHISA-N 417.892 5.829 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 408997039 GBHOCAPGNUBHPH-PDGQHHTCSA-N 402.277 5.261 10 40 HKCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 1194241 DDTJKVLMTXOZKU-ZSOIEALJSA-N 410.398 5.019 10 40 HKCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 1431394 HAEDMNUJTNJAAL-DEOSSOPVSA-N 423.520 5.030 10 40 HKCB CCCCCC1CCC(c2nnc3n2N=C(c2cc(C)c(O)c(C)c2)CS3)CC1 4036594 BWDITNJGCVOGCS-UHFFFAOYSA-N 412.603 5.813 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 6963513 QLXNZCCFGOZVSM-PPJWLVRDSA-N 418.005 7.767 10 40 HKCB C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19791535 CTSZSOSUWPEOKL-AWEZNQCLSA-N 417.427 5.559 10 40 HKCB biogenic CC1CCN(c2ccc([C@H](C)NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 218104591 KKQDUOIWLFZQKU-SWVLWACCSA-N 414.549 5.934 10 40 HKCB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccc1Cl 223251056 GBDGTCCJGYNJRY-UHFFFAOYSA-N 419.742 5.571 10 40 HKCB C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc4c5c(cccc35)CC4)[C@H]2C1 408736122 GPIWLKRYLJVMDL-FWVWFNHBSA-N 415.536 7.557 10 40 HKCB Cc1cccc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)n1 4631202 NEXQMABZRZRZOX-NRFANRHFSA-N 400.438 5.062 10 40 HKCB COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]23)cc(Br)c1OC 12418444 FTQLDMVTJMBLFI-FHSNZYRGSA-N 422.269 5.571 10 40 HKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 36080599 ZWLNQQLOBFVLFF-UMFSSWHCSA-N 401.937 7.054 10 40 HKCB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1 58845783 JSMYVYVMKQDOIP-SGIRGMQISA-N 416.546 5.622 10 40 HKCB Cc1ccc(COc2ccc([C@@H]3Nc4c(C)ccc(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1 58928618 IFSQANOTAQSYCJ-KHVXQDHOSA-N 415.964 7.362 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1 222827052 ZXETZVDOVAQBIT-DHIUTWEWSA-N 404.583 5.178 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)C1 225689791 KOCFAIZAJGPVSO-HNNXBMFYSA-N 418.404 5.172 10 40 HKCB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 253497737 AFLVJSJCGOFTTI-ZCCMWAGFSA-N 407.642 6.540 10 40 HKCB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1 409326364 AYJUNXGSUJNJHB-NDENLUEZSA-N 423.490 5.694 10 40 HKCB O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl 409330323 KSNVRCSHHZNNFA-VGOFMYFVSA-N 418.729 6.192 10 40 HKCB CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCC2)cc1 1802391 GTWFTQJSVFKJIT-DEOSSOPVSA-N 408.630 6.238 10 40 HKCB Cc1cc(C(=O)OCCOc2ccc(Br)cc2)c(C)n1-c1ccccc1 5622730 NVWDVCZJNVYGJH-UHFFFAOYSA-N 414.299 5.092 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)SC2=S)cc1 5953629 ATXFCCUFSVOWLI-XSFVSMFZSA-N 407.516 5.751 10 40 HKCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 113834290 DMWXSKBFSMZURT-VGOFMYFVSA-N 411.291 5.307 10 40 HKCB COc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(OC)c1OC 141256617 WVDQMAMXOONYKD-FYJGNVAPSA-N 414.457 5.361 10 40 HKCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 408761241 CSJSVVBNKVPCCG-XSFVSMFZSA-N 403.825 5.083 10 40 HKCB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409084957 YLNZKQYPOSSFNN-MOHJPFBDSA-N 404.469 5.683 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 2245921 WFNDSMKQYGJFEI-WQRHYEAKSA-N 419.955 5.543 10 40 HKCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 8821571 DUKDIKYQIYEVCP-NVNXTCNLSA-N 424.330 5.406 10 40 HKCB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNCc1ccc(N(C)C)cc1 17318050 NKGQNRQJRKKZIJ-UHFFFAOYSA-N 417.384 5.211 10 40 HKCB COc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1 70453979 UPLLGDWBLJDQAU-UHFFFAOYSA-N 418.500 6.237 10 40 HKCB COc1cc(-c2ccc(/N=N\c3ccccc3)c(OC)c2)ccc1/N=N\c1ccccc1 104323907 MMOYRWFODWJWKM-ZUELCTOOSA-N 422.488 8.202 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106685549 AXKMLYDGIFNMHM-UYRXBGFRSA-N 400.931 5.423 10 40 HKCB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2CC)c1C 222872929 MKDQZFHSXNPYNE-DNQXCXABSA-N 418.610 5.434 10 40 HKCB COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1 260755858 BZQOUIBYJYDSJR-UZFJHSOTSA-N 418.566 5.087 10 40 HKCB COc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1 408780032 QNNCQZSCFPDLCM-HMMYKYKNSA-N 412.445 5.383 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409155975 SGWYCMVNGVUJSQ-CZIZLABSSA-N 405.237 5.426 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 409346553 NUFULRNSKZXTNU-YVLHZVERSA-N 419.955 5.467 10 40 HKCB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 17088918 IRSLFLUZHLWWQR-MOHJPFBDSA-N 411.505 5.395 10 40 HKCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(C)cc(C)c3)C2=O)cc1 17088922 MMGXUWUXIJBCPB-CLCOLTQESA-N 411.505 5.449 10 40 HKCB Cc1cc2c(cc1/C=C1\SC(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C 208227392 NXDWRWXTFVNOGZ-RDPIHGLISA-N 406.551 5.958 10 40 HKCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)cc1 409342997 CFKOWEWDPREDCO-QGOAFFKASA-N 415.605 6.273 10 40 HKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(F)c(Br)c3)SC2=S)c(C)c1 409351560 VCXFDPVXDOMMKG-SXGWCWSVSA-N 422.344 5.611 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1 103919312 KAVMMJGAODHOTO-RGEXLXHISA-N 403.404 5.474 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(Cl)cc2)cc1 408995648 KLZZMHQECPCDSJ-XSFVSMFZSA-N 408.910 5.635 10 40 HKCB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OCc2ccccc2)cc1)CO3 2116672 GBHVKRGCBUACJV-UHFFFAOYSA-N 413.473 5.345 10 40 HKCB biogenic CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(/N=N/c2ccccc2)cc1 6515379 VJANKSAISSROLW-CYYJNZCTSA-N 401.510 6.308 10 40 HKCB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2O)cc1 20970143 XEFLDUFFXBOMEB-DEOSSOPVSA-N 424.504 5.232 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 58854818 KFUUBFAATHLZHU-OVVQPSECSA-N 418.496 6.225 10 40 HKCB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(N2CCC[C@@H](C)C2)cc1 219029891 CYZUHKYEIZNWBE-QHAWAJNXSA-N 416.565 5.721 10 40 HKCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 222999503 KQUYSTBUHNXSPW-BWKNWUBXSA-N 408.586 5.575 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(F)c1 260759158 FDPFHTGZBCGMSK-UJUVCNOISA-N 406.530 5.218 10 40 HKCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 409000992 OHPLZTRHSVSETD-QNGOZBTKSA-N 423.940 5.905 10 40 HKCB CCCOc1ccc(N/C(=C2\C(=O)N(c3ccccc3)N=C2C)C(F)(F)F)cc1 409001576 JELCEPFFODSQCU-HNENSFHCSA-N 403.404 5.126 10 40 HKCB CCCN1C(=O)/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)c2ccccc21 409114374 HAZIJKPSNYSDBP-JLPGSUDCSA-N 410.492 6.126 10 40 HKCB CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 6630092 ODYKWGBAJOSTIJ-UHFFFAOYSA-N 403.457 5.732 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1 6841216 ZWGLKHVKWZYTMK-GFHXCNCHSA-N 406.551 5.276 10 40 HKCB Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c(C)c1 222745379 LTFKCZBUCFYCAL-GGAORHGYSA-N 404.583 5.017 10 40 HKCB CN(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 253508473 PGSCVRYPLPSIOE-DVNRIYIRSA-N 423.641 5.510 10 40 HKCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)c[nH]c12 409122676 ATVGKUFZAMPIOU-ODLFYWEKSA-N 408.548 5.140 10 40 HKCB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccccc1 2472340 RAUDFXNPAOXMSP-HMMYKYKNSA-N 403.279 5.284 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 12561901 XOZJSHKNHZNBOB-CYVLTUHYSA-N 405.542 5.706 10 40 HKCB COc1ccc(-c2c(C)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1 20461237 UKCFNDDTBVRUEQ-UHFFFAOYSA-N 415.489 5.115 10 40 HKCB biogenic CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112287185 CMYJDFHNVITWMH-ZHZULCJRSA-N 412.877 5.445 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc2ccccc12 222735458 SXFWSVQSVGMLKQ-DNQXCXABSA-N 412.562 5.245 10 40 HKCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409235274 OMOXVZPMDOIKOR-PXLXIMEGSA-N 420.534 5.320 10 40 HKCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5747823 XCHQAJQSFJYMFZ-DEDYPNTBSA-N 404.554 6.102 10 40 HKCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 16160758 RIDFQQWQXALMMK-JYRVWZFOSA-N 424.671 5.064 10 40 HKCB C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCC2)cc1 225664680 ORUJSVMWWPLTNF-HNNXBMFYSA-N 407.505 5.743 10 40 HKCB Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)C(=O)O3)ccc2c1 408753702 BPTVFGWUQMGCQT-STZFKDTASA-N 412.872 7.043 10 40 HKCB CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 5214256 ZTNUVEXFEXSENV-VLGSPTGOSA-N 405.585 5.182 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13603060 OHUZZFOJPKXNCG-UNOMPAQXSA-N 407.813 5.314 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 222696933 HTXFWUGBBGBVHO-YFXJRYMSSA-N 420.557 5.608 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSCc3cccc(Cl)c3)cc2)C1 260466008 AEDJOXVDGCHVLC-ROUUACIJSA-N 417.018 5.687 10 40 HKCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)COc3ccccc3C(C)(C)C)cc2)C1 260625087 ZBNQNXBHEZNQKD-PMACEKPBSA-N 408.586 5.477 10 40 HKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408639554 FYBGTESCSHAHNX-HXUWFJFHSA-N 422.484 5.624 10 40 HKCB CC(C)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 409144091 DNCSCIDDJQALEQ-BKUYFWCQSA-N 412.624 6.079 10 40 HKCB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 409203806 YXKUMBRHJANMMB-LDADJPATSA-N 413.520 5.179 10 40 HKCB Cc1ccc(-c2c3c(nc4sc(C(=O)OCc5ccccc5)c(N)c24)CCCC3)o1 3014124 XGEOVFSADFHPEW-UHFFFAOYSA-N 418.518 5.683 10 40 HKCB Cc1cc(C(=O)COc2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 3391171 PVGMCEANNYJKEZ-UHFFFAOYSA-N 423.818 5.750 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(F)cc2)cc1 5164499 AEPPKFNTBVOYFC-MZKUHISZSA-N 424.560 5.180 10 40 HKCB CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c2c1N 67172747 GNNWXMFIZJVSDC-UHFFFAOYSA-N 408.910 6.043 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 409157881 QLXNZCCFGOZVSM-JQYIIUTOSA-N 418.005 7.767 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 1016164 BDNLEIWCPBBREO-BIENJYKASA-N 424.260 6.303 10 40 HKCB O=C1C(=Cc2cccc3ccccc23)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 3072357 GQNSLEBCAKZSEM-UHFFFAOYSA-N 418.452 5.423 10 40 HKCB CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 4683604 CGPUYANGKHARBC-SIKLNZKXSA-N 409.942 5.710 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13140420 XFGYWZZFLOUEQF-KIFXHHALSA-N 412.599 5.103 10 40 HKCB Cc1nc2ccccc2nc1CNc1ccccc1NCc1nc2ccccc2nc1C 16265275 IBRCUZHSBCJQRA-UHFFFAOYSA-N 420.520 5.414 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 17247443 FGLAMWYJYRUOOO-DGWZTRNLSA-N 406.570 5.041 10 40 HKCB biogenic C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(Br)cc3)cc2)C1 260466169 GRBQPAMRAXBMKU-HOTGVXAUSA-N 401.348 5.176 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260619371 KHIHZTNPVJPQGC-WZOHSFFVSA-N 408.586 5.520 10 40 HKCB CCCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 408530067 IMRDDDTWZCUBLE-RGEXLXHISA-N 413.315 5.434 10 40 HKCB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(Cl)cc1 408632949 HYQFSCYEXYHCGW-NDENLUEZSA-N 424.909 6.107 10 40 HKCB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(C)c3)C2=O)cc1 408754035 PEZBTOAAQHLZDP-JJIBRWJFSA-N 412.489 5.237 10 40 HKCB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 408759862 NAVHQAFTRGOUGZ-KGENOOAVSA-N 407.300 6.136 10 40 HKCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1c(Cl)cccc1Cl 409055105 CMLMFXTTYDASNV-RAXLEYEMSA-N 422.695 5.524 10 40 HKCB CCOc1ccccc1NC(=O)c1c(NCc2sccc2C)sc2c1CCC2 920870 BMYAGJCMGWVZSS-UHFFFAOYSA-N 412.580 5.870 10 40 HKCB Oc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 2160137 FJFAPUOERHVIAO-UHFFFAOYSA-N 402.263 5.485 10 40 HKCB C[N+](C)(C)c1cccc(/N=N/c2c(O)ccc(/N=N/c3cccc([N+](=O)[O-])c3)c2O)c1 3846901 ADJDXUVGQYCEMO-UHFFFAOYSA-O 421.437 6.034 10 40 HKCB CCOc1cc(/C=C2/C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 4575773 WRSVLNHFMYAGKR-STZFKDTASA-N 416.448 5.785 10 40 HKCB CC(C)(C)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 8821463 JJIPICZJWCZVGV-XNTDXEJSSA-N 422.369 5.709 10 40 HKCB CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)SC1=S 9310278 ASPDZIWNGOYSKH-OVCLIPMQSA-N 424.330 5.044 10 40 HKCB COc1ccc([C@H](c2ccc3c(OC)cccc3c2O)N2CCCCC2)c(OC)c1 9420852 DRGFMGYCEHMZON-XMMPIXPASA-N 407.510 5.147 10 40 HKCB O=C(CSc1ccc2ccccc2c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 12600188 LXJYIWMXXJLCGH-UHFFFAOYSA-N 423.493 5.346 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 103918447 HNQPDCQXFQZISL-MOHJPFBDSA-N 400.526 5.085 10 40 HKCB CCCCN(CCCC)c1cc(C)c(/N=N\c2cc(Cl)ccc2Cl)c(C)c1 104224975 HYCSHQJJZXOJQM-QPLCGJKRSA-N 406.401 8.432 10 40 HKCB Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N\c1ccc(C(=O)O)cc1 104226651 MZJCVPZJZVHLRV-QPLCGJKRSA-N 411.421 5.056 10 40 HKCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144204760 ZZPZSCWMZWCRNF-JCMHNJIXSA-N 402.519 5.897 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C 222872319 SUAXAIZCKVSPDY-XZOQPEGZSA-N 404.583 5.180 10 40 HKCB COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)ccc1O 248130909 KDGKSELMQKKXOX-UWJYYQICSA-N 412.898 5.358 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409088721 GRSMROUORIKILH-PLRJNAJWSA-N 418.496 6.073 10 40 HKCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 4501749 SZKPDVYUGFZCGS-UHFFFAOYSA-N 407.249 5.397 10 40 HKCB O=C1/C(=C/c2ccco2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1 8894567 PXZCBLYMBGOZQM-MFOYZWKCSA-N 423.856 5.516 10 40 HKCB CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 13070674 BQAASRVTJAFUMI-INIZCTEOSA-N 412.489 5.025 10 40 HKCB C[n+]1c2n(c3ccccc31)N=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CS2 15973861 BPADMUDPNVXFJF-UHFFFAOYSA-O 408.591 5.125 10 40 HKCB COc1ccc(C2=NN(c3ccccc3C)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18192735 JGZILYFFRVQQML-JCMHNJIXSA-N 407.473 5.319 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)c1C 59109533 LVMLLAIXEARUEV-KGENOOAVSA-N 419.525 5.346 10 40 HKCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 408738080 MZSFLHLKJNFGNS-HMMYKYKNSA-N 401.893 6.210 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)c2C)cc1 3667680 NOGZJHUXXFLFJP-JCMHNJIXSA-N 407.583 5.135 10 40 HKCB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)C1 100797567 JMBKSMPFEYYJKB-DWXRJYCRSA-N 403.522 5.566 10 40 HKCB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 222898287 IZEFOCVARDOVBR-NBGIEHNGSA-N 408.586 5.520 10 40 HKCB COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 408754714 LIYQWYXMMSFVQN-PXLXIMEGSA-N 418.880 5.192 10 40 HKCB O=C(/C=C/c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 4672237 MAVAPSCAANIDKJ-RCJYHZQCSA-N 402.881 5.437 10 40 HKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 6923837 HOQXVUWHNWEAIB-FYJGNVAPSA-N 405.544 5.871 10 40 HKCB Cc1cc(C)c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 12445025 TTYUBMHJHVYZMS-YVLHZVERSA-N 407.482 6.036 10 40 HKCB Cc1c(/N=N/c2cccc(Cl)c2Cl)c(-c2ccccc2)nn1C(=S)S 17130516 KTQLMCUTPVVWOT-QZQOTICOSA-N 407.351 6.644 10 40 HKCB CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)cc1 107995575 AFHWOZGZEPAATK-JWGURIENSA-N 413.473 5.116 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C 222963751 CABLTWDEOVAPOH-PKTZIBPZSA-N 422.573 5.401 10 40 HKCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)C1 225690021 UTMLKSFGAWARSF-OAHLLOKOSA-N 407.505 5.428 10 40 HKCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 408789284 IJAGMIXNSBYQFE-YBEGLDIGSA-N 402.277 5.179 10 40 HKCB CC(C)CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2ccccc21 409122105 ZDBIMRHBKZKGJJ-XYGWBWBKSA-N 406.529 6.233 10 40 HKCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409249766 OMXKLSOVAYLNAN-BUVRLJJBSA-N 413.521 5.310 10 40 HKCB COC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N 756924 VPMMXOOOGUJPHQ-UHFFFAOYSA-N 400.912 5.714 10 40 HKCB O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 801102 SRLJNSQTNHJWPA-OAQYLSRUSA-N 422.937 5.494 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6963498 DWWQBBDHPWUBIR-WOVHNISZSA-N 418.005 7.767 10 40 HKCB Brc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 7096727 KLQBNLNRIHAPJP-DPLHUUCSSA-N 402.335 6.943 10 40 HKCB COc1cc2c(cc1NCC(=O)Nc1ccc(OC(F)F)cc1)oc1ccccc12 11619303 CZIZRDNBXNNGRT-UHFFFAOYSA-N 412.392 5.247 10 40 HKCB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32594042 XFLPPDHQUWVTAV-ZXOFLVKFSA-N 409.507 6.048 10 40 HKCB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 106689173 SEJMPTCZCMYSPL-BKUYFWCQSA-N 422.937 5.984 10 40 HKCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 408893155 KWRLGZTVQBKPST-FHNWIRHTSA-N 416.304 5.427 10 40 HKCB CCCCOc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2122447 BXWMVUCYBBCUAA-UHFFFAOYSA-N 415.489 5.790 10 40 HKCB biogenic Cc1ccc(N2C(=O)C(=Cc3ccccc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1 5541403 WYKRRQYYTDNOQK-UHFFFAOYSA-N 412.514 5.052 10 40 HKCB Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 8821261 QVTZIEURXMPWOE-BKUYFWCQSA-N 421.543 5.568 10 40 HKCB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 14415105 YJEWTAPXBJOHFS-NKFKGCMQSA-N 417.549 5.290 10 40 HKCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc(C)c1 34921363 YAROESHJBVEIGA-HAHDFKILSA-N 412.489 5.389 10 40 HKCB Cc1cc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)ncc1Br 46085523 PUJHCXXTBDOBIU-HXUWFJFHSA-N 421.298 5.003 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3csc(-c4ccsc4)n3)SC2=S)cc1 96179970 GJOKHVSMLMFQKX-OVCLIPMQSA-N 400.575 5.586 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222789510 RYSIQFGZVYNUAP-PKTZIBPZSA-N 404.583 5.098 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409015441 RCPYIKXNZWMPQC-QQHUYRGFSA-N 404.535 6.082 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c(C)c1 409129432 JPJHPGOQFZKTAU-OEAKJJBVSA-N 422.594 6.328 10 40 HKCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 693771 GRSJGSCGJJWSBD-DEDYPNTBSA-N 419.868 5.254 10 40 HKCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCCCC4)c23)c(C)c1 5182712 MKMRGAPTCYHHJH-UHFFFAOYSA-N 406.526 5.692 10 40 HKCB aggregator Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 6865657 KAGGHGJMIZQKHK-UHFFFAOYSA-N 417.292 5.196 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1OC 13633451 CIHLXFLGWWGIDV-RGEXLXHISA-N 400.430 5.477 10 40 HKCB Cc1ccccc1/C=C1/SC(=S)N(CCCCCCCCCCC(=O)O)C1=O 35656130 ITRLFZRCJYCXQC-KNTRCKAVSA-N 419.612 5.792 10 40 HKCB Cc1ccccc1N1C(=O)/C(=C/C(Br)=C/c2ccccc2)SC1=S 41108525 MTJHEOOFEWVQTG-OZFCMSLCSA-N 416.365 5.680 10 40 HKCB CC(C)c1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1 408872364 LTOJUVPFLFFKKG-JVAFGIKQSA-N 419.524 6.412 10 40 HKCB CCCn1cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)c2ccccc21 409345192 KFERDQDBQKVFDY-STZFKDTASA-N 422.575 5.856 10 40 HKCB CCN1/C(=C\c2ccc3cc(OC)ccc3[n+]2CC)Sc2cc(NC(C)=O)ccc21 904967 LBZAEXMPQMJQRO-UHFFFAOYSA-O 420.558 5.045 10 40 HKCB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3c(Cl)cccc3Cl)ccc12 4995402 MATQTXGVSLXWRJ-UHFFFAOYSA-N 415.272 6.149 10 40 HKCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 39986620 QJUJXTUBSYXZJY-BOPFTXTBSA-N 421.509 6.409 10 40 HKCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 83333329 GVFWYEJBSJPMMR-STZFKDTASA-N 409.555 5.256 10 40 HKCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc21 208447366 KEWBAFCSUMSOHQ-XKZIYDEJSA-N 417.578 6.018 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222879266 SOJQTZBVQNDUJW-ZEQRLZLVSA-N 418.610 5.488 10 40 HKCB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260795857 MDGONIQGKBBSMH-LEWJYISDSA-N 408.586 5.611 10 40 HKCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1F 408976318 FHIGRPHFNIKJLX-ZROIWOOFSA-N 406.240 5.010 10 40 HKCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 409141978 KNSAGUSPPQOCSM-STZFKDTASA-N 410.608 5.973 10 40 HKCB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409192951 HNOVCELXJQUGHP-LDADJPATSA-N 409.898 5.383 10 40 HKCB CC(=O)c1ccc2c(c1)c(C)c(C(=O)O)n2CCCOc1cc(C)c(Cl)c(C)c1 2037873394 GUTMKKHTKDGHHX-UHFFFAOYSA-N 413.901 5.590 10 40 HKCB O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(F)c1 8440367 HTDPQTYNWZWZRR-HMAPJEAMSA-N 415.514 6.538 10 40 HKCB COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC 9232241 RWZLSLCWAFZOLE-LICLKQGHSA-N 419.955 5.380 10 40 HKCB COc1cc(O)c2c(=O)c3cc(CC=C(C)C)c(O)c(O)c3oc2c1CC=C(C)C 14727618 RATPZJKZEAONEQ-UHFFFAOYSA-N 410.466 5.089 10 40 HKCB biogenic C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218667024 AYOIWUKUXRVYPC-QHAWAJNXSA-N 422.613 5.865 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C 222879386 SOJQTZBVQNDUJW-BJKOFHAPSA-N 418.610 5.488 10 40 HKCB O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1 408763155 RMJVTGDVCBQBND-GHRIWEEISA-N 420.946 6.451 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1cccc(F)c1 409006673 KLORGFWOTMKFGT-UNOMPAQXSA-N 417.527 5.025 10 40 HKCB Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1C 409070711 GLIJJDXYPRDNIG-CIAFOILYSA-N 419.912 5.462 10 40 HKCB Cc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c(C)c1 2052762 VROVLSBCMLGHEG-UHFFFAOYSA-N 422.366 6.679 10 40 HKCB biogenic Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Cl 13675912 CWJXIPQIHUAPNQ-SFHVURJKSA-N 400.950 5.031 10 40 HKCB CCCCC1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1 41082901 NEXDEZLUDNQHDY-FVLYSNIGSA-N 416.572 5.514 10 40 HKCB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Cl 222614514 VKKDAGRGHICLNA-RXYZOABWSA-N 422.985 5.732 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(F)c1 222828647 RLKYJSSVPABJHR-FGZHOGPDSA-N 408.546 5.009 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2F)cc1 408753970 OVTRNMXJSBUKBZ-CJLVFECKSA-N 416.452 5.068 10 40 HKCB Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1 408845364 WFHLGQOSBMIRJK-RCCKNPSSSA-N 417.306 5.592 10 40 HKCB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc2ccccc12 3296187 DYTRWNQHPXOUQF-UHFFFAOYSA-N 420.306 6.077 10 40 HKCB O=S(=O)(O)c1ccc(/N=N/c2c(NNc3ccccc3)ccc3ccccc23)cc1 3844578 IQSXWMLQLWBUQB-SHHOIMCASA-N 418.478 5.941 10 40 HKCB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1 5165011 QPQVTTNPGTZMQM-DGIAZZNKSA-N 419.554 5.247 10 40 HKCB Cc1cc(O)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C 22029513 GQDNGQVHSGPSOG-UHFFFAOYSA-N 414.593 5.731 10 40 HKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N=C3O)c2C)cc1 33332475 ZOCNXQGLYHOCIJ-KGENOOAVSA-N 421.566 5.202 10 40 HKCB CCCC1=NN(c2ccccc2)C(=O)[C@H]1Sc1nc(-c2ccc(C)cc2)cs1 102965139 STSKRXGJLNAZCC-FQEVSTJZSA-N 407.564 5.782 10 40 HKCB Cc1cc(/N=N/c2ccccc2[N+](=O)[O-])c(N)c(/N=N/c2ccccc2[N+](=O)[O-])c1N 103608784 UMXYZMXCERLUMP-BQASJOSNSA-N 420.389 5.807 10 40 HKCB CCn1c2ccccc2c2cc(/N=N\c3cc(CN(C)C)c(O)c4ncccc34)ccc21 104226098 WXNHXZXYKKIGFS-ZIADKAODSA-N 423.520 6.545 10 40 HKCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409333733 VLDNOGMFWXNMPC-CXUHLZMHSA-N 410.347 5.798 10 40 HKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(F)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 6222094 DSKUKJMTMICQRP-DPLHUUCSSA-N 416.452 6.139 10 40 HKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 6393035 OEWWCBIHUREDMI-STZFKDTASA-N 404.466 5.487 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1Cl 9232254 ACDBXHSOUMTYSA-OVCLIPMQSA-N 414.310 5.547 10 40 HKCB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc(C)c4)C3=O)n2)cc1 100510806 QCADXQHJRYMBHX-SMIQVMJNSA-N 405.483 5.002 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(Nc2ccccc2)c1 101148647 LLTGEHYRLVWSHE-PXLXIMEGSA-N 402.885 5.802 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 215148866 GDQPLJWRTCDXSN-XDHOZWIPSA-N 418.921 5.562 10 40 HKCB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222790114 FTHXJVDBANBUDP-XZOQPEGZSA-N 404.583 5.098 10 40 HKCB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C 222964143 WLEMCBRRGXANDF-DHIUTWEWSA-N 422.573 5.401 10 40 HKCB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(Cl)c1Cl 409050516 WSGAGEZANXZYOI-YVMONPNESA-N 421.152 5.495 10 40 HKCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)cc1OC 1837723 OIUFZXVZKHYUTG-BKUYFWCQSA-N 421.543 5.653 10 40 HKCB COc1ccc(Br)cc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 6954173 WFJUBQUSIGATNH-VEVIJQCQSA-N 401.260 5.192 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 7096691 WQHYDXHDMTWESQ-DPLHUUCSSA-N 402.335 6.943 10 40 HKCB C[C@H](SCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 12559919 GIKYEOJGJVSQRX-SFHVURJKSA-N 422.598 5.006 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 100270858 UPWJKXKLBJDLIJ-XIEYBQDHSA-N 421.500 5.526 10 40 HKCB [O-]/[N+](=N/c1ccccc1)c1ccc(/N=N\c2ccc(/[N+]([O-])=N\c3ccccc3)cc2)cc1 100368948 PJPSEMFRNAXBJQ-VFGSGIOWSA-N 422.448 7.953 10 40 HKCB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(F)c1 222613801 FDPFHTGZBCGMSK-ARBPTSGCSA-N 406.530 5.218 10 40 HKCB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466284 LXVYFUUDRVSPBG-RBUKOAKNSA-N 412.599 5.042 10 40 HKCB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 408775890 WCNRHWUQEBTZEM-XXMKCSCWSA-N 417.578 5.565 10 40 HKCB COc1cccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1OC 639521 BOKUEZDPRWVPMX-VEVIJQCQSA-N 404.279 5.432 10 40 HKCB aggregator CN(C)c1ccc(/C(=C(/c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1 1621284 SEHHQLKIKCAWFC-FLWNBWAVSA-N 418.584 6.826 10 40 HKCB CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 2156305 HHDZJKDZTMYHPS-LFLZZHQGSA-N 418.625 5.914 10 40 HKCB Brc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 13638494 HYMZOKIHSBSHSX-DPLHUUCSSA-N 418.334 7.068 10 40 HKCB CCCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 21729034 PJZIQKWXWYGRDI-QHCPKHFHSA-N 413.477 5.104 10 40 HKCB CC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)s1 39996334 ZQKIGDIZDGFFSZ-WCWDXBQESA-N 407.451 5.162 10 40 HKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)N2 58928671 ODMPGFBLEJZRCM-QQNWGBJXSA-N 409.529 6.603 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222789245 RSFZEGYAMUORAA-PKTZIBPZSA-N 404.583 5.098 10 40 HKCB COc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 226794989 CKNWVHCRDLOQQJ-GJYPPUQNSA-N 403.263 5.126 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408903428 XQSRGRLICJUQCD-JJIBRWJFSA-N 405.501 5.804 10 40 HKCB O=C1/C(=C\c2cccc(OCc3ccccc3)c2)C(C(F)(F)F)=NN1c1ccccc1 408972065 RKYTYINORAMZFG-QNGOZBTKSA-N 422.406 5.614 10 40 HKCB COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC4CCCCC4)C3=O)c2C)c1 409141308 HOSSDMOCRCVJJA-XKZIYDEJSA-N 424.566 5.719 10 40 HKCB Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21 409155207 PZLDAQINPUZQOK-SWYRRKHMSA-N 401.550 7.253 10 40 HKCB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1CCc1ccccc1 2196701 CLGPLTHKNPLZEX-XLNRJJMWSA-N 417.555 5.923 10 40 HKCB Cc1ccccc1Nc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3 2307476 VUJPAEGPQCOXFV-MRXNPFEDSA-N 423.516 6.328 10 40 HKCB CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(C(=O)O)cc2)cc1 4248042 ILBXQRTYZFWXCR-HSZRJFAPSA-N 419.912 5.460 10 40 HKCB CCN(CC)Cc1cc(Nc2nc(/C=C\c3ccccc3)nc3ccccc23)ccc1O 5390435 PWTUOKSHPUZXPN-VKAVYKQESA-N 424.548 6.091 10 40 HKCB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3ccc(Cl)cc3)N21 222672223 ICFLXWXSPFXQJX-VOQZNFBZSA-N 422.985 5.814 10 40 HKCB C[C@H]1CCCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3F)cc2)C1 223458058 ZQJQQZSUSQPILL-INIZCTEOSA-N 420.981 5.265 10 40 HKCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260737371 JNJVQOUNWKEVHP-DOTOQJQBSA-N 402.007 5.932 10 40 HKCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2C)cc1 17088923 RIBQJUFDIXNQSJ-CLCOLTQESA-N 411.505 5.449 10 40 HKCB CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)O2)cc1 59425792 ZLLYCUKQEZCARA-ZHZULCJRSA-N 419.908 6.128 10 40 HKCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 100147838 RFOOBEHMOYKJDK-XDHOZWIPSA-N 424.972 6.447 10 40 HKCB Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(N)c1-c1ccc(F)cc1 1386182 YKOJEEOXQLYJKF-UHFFFAOYSA-N 417.513 5.562 10 40 HKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)cc2C)C1=O 11859672 FJVKYPWTOXCWME-GEEUODSKSA-N 422.575 5.090 10 40 HKCB O=C1Nc2ccccc2/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 13148017 PSTZLKOGDIHRHI-JAIQZWGSSA-N 419.311 6.489 10 40 HKCB C/C(Nc1ccccc1Cl)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17083276 JNRKXNPEBPXHRS-QNGOZBTKSA-N 405.860 5.616 10 40 HKCB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 17247448 FGLAMWYJYRUOOO-RMTZWNOUSA-N 406.570 5.041 10 40 HKCB biogenic CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 19720154 WEQRHRNSFZGUOI-WQRHYEAKSA-N 419.955 5.149 10 40 HKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1Cl 33818226 BIDOUTOVNJLCCA-SFQUDFHCSA-N 409.268 6.767 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(F)cc4)c3C)N21 222697114 HTXFWUGBBGBVHO-CDNPAEQRSA-N 420.557 5.608 10 40 HKCB COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3Cl)C2=O)cc1 408753483 MYQLQYCVXMDRJP-JXAWBTAJSA-N 422.311 6.473 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Cl)cc2)cc1 408753895 OPIBOHNBQGFZCV-XQNSMLJCSA-N 415.924 5.549 10 40 HKCB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408847141 ZSUWLRVTJVXZTA-CPNJWEJPSA-N 421.815 5.222 10 40 HKCB COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc12 409329794 IITXZQLADNIOFX-KGENOOAVSA-N 420.559 5.320 10 40 HKCB Brc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@H]21 59267125 RJCUQRQYGBIPBX-MFSJNOQSSA-N 402.335 6.943 10 40 HKCB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3OC)N21 222679385 ACAKXUSJSLHDFD-NLSFWIRASA-N 422.598 5.060 10 40 HKCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 408737464 BAMUKDOOHJJJGN-CAPFRKAQSA-N 400.909 5.877 10 40 HKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)c1 409172526 JUTZAAZQBCHKAF-XWCIJXRUSA-N 423.669 5.976 10 40 HKCB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)c(C)c1 3672725 VGFTUAWFFDLLAB-AREMUKBSSA-N 412.537 5.297 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 5371376 ZMDJQUYHFDGNCA-ZHZULCJRSA-N 413.564 5.452 10 40 HKCB CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 11859521 SSWHUEHHYRFWSO-HOIFWPIMSA-N 415.364 6.302 10 40 HKCB CN(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 12112566 CGPUYANGKHARBC-DENIHFKCSA-N 409.942 5.710 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(F)cc1 222614163 DBJXPRWGCJHYNF-UZQPLGKSSA-N 406.530 5.218 10 40 HKCB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C 222789361 RSFZEGYAMUORAA-DHIUTWEWSA-N 404.583 5.098 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(OC(C)C)cc3)cc2)CC1 225656669 HHFZVZKFDRFKHH-LJQANCHMSA-N 411.615 5.758 10 40 HKCB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc(C)c1Cl 260453237 GUFCOJXGSGRXDE-LPHOPBHVSA-N 414.977 5.449 10 40 HKCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 409024803 XBMHXRNJJXCDDL-IDUWFGFVSA-N 422.695 5.524 10 40 HKCB COc1ccc2nc3cc(Cl)ccc3c(NC[C@H]3CCCN4CCCC[C@H]34)c2c1 5519368 WDOZYYCIYOXKKX-WAIKUNEKSA-N 409.961 5.726 10 40 HKCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc(Oc2ccccc2)cc1 19943960 NKKCUABRIGFFPH-MOSHPQCFSA-N 423.299 6.592 10 40 HKCB COc1ccc(CCN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 35041332 JEVGMJQIQBUBIW-RCCKNPSSSA-N 405.544 5.292 10 40 HKCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 35415898 DNPKSKJFPIKADE-GLJUWKHASA-N 418.718 5.716 10 40 HKCB Cc1cc2c(cc1C)N[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(O)CC(C)(C)CC1=N2 102452593 HOHHXANFNGYLRF-QFIPXVFZSA-N 407.470 5.789 10 40 HKCB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl 260613095 CSRXDSCKKDAVTL-BHIYHBOVSA-N 414.977 5.529 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1C 260784118 UXNGAPJDRYFUTG-UOKFIYJESA-N 416.594 5.695 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2F)cc1 408758220 HQNFPRQPAHEJGN-PXLXIMEGSA-N 404.416 5.198 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2Cl)cc1 408842660 PKTNZUNPLSNVHU-XQNSMLJCSA-N 416.908 5.882 10 40 HKCB CCCC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1-2 795128 YZVUVOZALBQLLH-UHFFFAOYSA-N 401.462 5.268 10 40 HKCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 3069351 FCQXFURHNGNFCI-WJDWOHSUSA-N 404.354 5.417 10 40 HKCB Brc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 4786135 PHYYTKXJEPZSPC-OCEACIFDSA-N 403.283 6.922 10 40 HKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)ccc1Cl 6971322 WEVPXBSNJYPFKD-PRXAMGSTSA-N 405.679 5.837 10 40 HKCB FC(F)(F)c1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 8436981 NDNSCLBAKMRQSJ-DINDLPBHSA-N 418.673 7.492 10 40 HKCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1 22709489 BRANEDUQKMCZLH-UHFFFAOYSA-N 409.536 5.489 10 40 HKCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)cc1 32115796 OJLLINVMFWAORT-STZFKDTASA-N 411.571 5.385 10 40 HKCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 58866095 WNRWZMNTVPSNKQ-UHFFFAOYSA-N 421.880 5.097 10 40 HKCB CCN1C(=O)C(=C2C=C(C)N(CCc3ccc(Cl)cc3)C(C)=C2)SC1=S 96346846 OMNCRUJTUBFZJH-UHFFFAOYSA-N 404.988 5.140 10 40 HKCB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCCC4)cc3F)N21 222678841 ZJMCPLRVEFZCCZ-KNXBSLHKSA-N 410.562 5.190 10 40 HKCB CC(C)COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 408600056 SHDBREUUPGEUHG-NVMNQCDNSA-N 421.946 5.920 10 40 HKCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 408736291 PHJJRFBHVDBIEU-DXIQSLLYSA-N 407.535 5.184 10 40 HKCB COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 408842633 PGDVXSHQWUKFEP-JJIBRWJFSA-N 422.459 5.822 10 40 HKCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(C)C 409350017 WVZNWPBKDTZVBY-MOSHPQCFSA-N 413.564 5.587 10 40 HKCB Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)c1 3648222 NWASTWKKYSLWMH-XQNSMLJCSA-N 408.501 5.830 10 40 HKCB C[C@@H](COc1ccccc1)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 41077648 QDAQXLCPSKNFBO-YQODDJSKSA-N 422.575 5.187 10 40 HKCB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 225377994 IVQNXWOXRXYWHQ-MRXNPFEDSA-N 405.369 5.794 10 40 HKCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)C1 260466048 BMIVKTPKLKEPEV-SCGCXBKJSA-N 417.380 6.120 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2cccc(C)c2)cc1 408765172 WYNFAJHQMUNMCS-HAVVHWLPSA-N 412.489 5.237 10 40 HKCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409015421 RXRMVKYOGWTOOG-WXUSHSQQSA-N 404.535 6.082 10 40 HKCB CC(C)(C)c1ccc(O)c(CN(Cc2cc(C(C)(C)C)ccc2O)c2ccccc2)c1 1680976 PNAKTKQCGUAXKF-UHFFFAOYSA-N 417.593 6.900 10 40 HKCB in-vitro Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4C)C(=O)N=C3O)o2)cc1 2939201 QBWGYBGTZKAEMB-QGOAFFKASA-N 418.474 5.554 10 40 HKCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 5598809 WDKSPOUHIKJSCI-UHFFFAOYSA-N 412.580 5.967 10 40 HKCB O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(Cl)c1 8749236 BYIUBEXYSDVBCE-AWNIVKPZSA-N 416.738 5.758 10 40 HKCB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 8821866 MKWLPHBFIDMLGV-DEDYPNTBSA-N 419.462 5.500 10 40 HKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 12469447 VJKHASMPDYRGDV-QFSBIZTOSA-N 412.224 6.434 10 40 HKCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O 13661905 JAVUGGZZMJYRPP-CHHVJCJISA-N 412.319 5.113 10 40 HKCB O=C(O)c1cc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Cl 18191772 DTVKMQQHNIIAQK-CYYJNZCTSA-N 402.841 6.511 10 40 HKCB COc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1 83260606 RTCVWIQXKUOMGT-GXDHUFHOSA-N 423.808 5.498 10 40 HKCB O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 95950262 AWHXIYXUQJUDBK-XMHGGMMESA-N 420.563 5.057 10 40 HKCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 218043372 HFIOYLGUCIHXFL-GOSISDBHSA-N 417.018 5.687 10 40 HKCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(F)c1 222919177 XYQVRPJHLCWKGU-DHIUTWEWSA-N 422.573 5.257 10 40 HKCB O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 13648984 OYGOZZWCLXEWLU-HKOYGPOVSA-N 416.952 5.797 10 40 HKCB CSC(=S)n1nc(-c2cccs2)c(/N=N\c2ccccc2)c1C(F)(F)F 104235724 BRBCEOLWXNFELI-MRCUWXFGSA-N 412.487 6.542 10 40 HKCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409020486 PUWKDPDAOGOKIR-PBFYJAPKSA-N 406.910 5.721 10 40 HKCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409341994 DFPRPPBHDVTLOJ-NCUBORBFSA-N 414.508 5.178 10 40 HKCB COc1cc(-c2ccc(-n3c(C)ccc3C)c(OC)c2)ccc1-n1c(C)ccc1C 659176 QLQUAWHVTYXHGT-UHFFFAOYSA-N 400.522 6.186 10 40 HKCB CCN1/C(=C\c2ccc3cc(OC)ccc3[n+]2CC)Sc2ccc(NC(C)=O)cc21 780099 UWXGHUIJYSXLNP-UHFFFAOYSA-O 420.558 5.045 10 40 HKCB CCN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)SC1=S 2961617 ZPHOFOIMECOLEM-STZFKDTASA-N 405.544 5.640 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 4858001 WSEJSTGPFRWION-NXWIBJQVSA-N 418.522 5.246 10 40 HKCB O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)c2ccccc2N1c1ccccc1 16050865 ZILQUDKMKVGRFF-UDWIEESQSA-N 415.290 6.149 10 40 HKCB COc1ccc2cc(C3=C/C(=C\c4c(OC)ccc5ccccc45)C(=O)O3)ccc2c1 408721987 BYNNYMDYMLHXTL-RCCKNPSSSA-N 408.453 5.992 10 40 HKCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)sc(C)c1C 409206751 XCVUVMGXVXFTHY-XDHOZWIPSA-N 420.534 5.076 10 40 HKCB Cc1ccc(C2=C/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1 2236680 MYBWTJZBJQOPIE-GDNBJRDFSA-N 407.809 5.798 10 40 HKCB CCCN1/C(=C/c2ccc3ccc(OC)cc3[n+]2CCC)Sc2cc(C)ccc21 4535115 AGVODCCUYHMBHQ-UHFFFAOYSA-N 405.587 6.175 10 40 HKCB CCCCCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5370979 GSVBYRLAWIJHED-SRKLUXGOSA-N 417.596 5.348 10 40 HKCB CCOc1c(Cl)cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1Cl 33860419 PQOHQLBIHSYWMK-MHWRWJLKSA-N 407.322 5.783 10 40 HKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 59267088 MKOFQTBORATOJG-CZIZLABSSA-N 404.691 5.627 10 40 HKCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 59417939 PKEVCXRJCOXSCD-KGENOOAVSA-N 409.555 5.256 10 40 HKCB COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 113831018 KONCVGRXMSDWMZ-XDHOZWIPSA-N 411.935 5.908 10 40 HKCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21 208220362 AEVLSEQHXUKPNM-GEYIUBJWSA-N 423.944 5.155 10 40 HKCB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)CC1=O 408706512 AMNBQQRYEAUBAJ-GOSISDBHSA-N 421.928 5.048 10 40 HKCB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(F)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 408736455 UEVRXVIXGXCODC-SLSDLSHTSA-N 416.452 6.139 10 40 HKCB Cc1cccc(COc2ccccc2C[C@H]2SC(=S)N(Cc3ccco3)C2=O)c1 409145340 OLQGIRJGGSUOLS-OAQYLSRUSA-N 423.559 5.139 10 40 HKCB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 3350820 OWUNMVDZZSHCCH-KRWDZBQOSA-N 404.510 5.403 10 40 HKCB S=C(/C=C1/SC(Cc2ccccc2)=C(c2ccccc2)S1)c1ccccc1 4666818 AUKHPGMZMDZNAO-QJOMJCCJSA-N 402.609 7.338 10 40 HKCB CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1 4700429 RXKNAWBRWBIOOY-UHFFFAOYSA-N 414.977 5.087 10 40 HKCB Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@H](C)C4)c23)c(C)c1 5182570 FVYGZWZPPMDTSA-INIZCTEOSA-N 406.526 5.548 10 40 HKCB COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(F)cc2)cc1 408764741 VIGIQTJNTJZFCD-KOEQRZSOSA-N 422.459 5.822 10 40 HKCB Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Cl)cc2)c1 408767342 ZLESKVRBKFSGAE-KGENOOAVSA-N 417.852 5.391 10 40 HKCB CC[n+]1c(-c2ccc(Br)cc2)csc1Nc1cccc([N+](=O)[O-])c1 1455067 XJTFUILVSDKVKR-UHFFFAOYSA-O 405.297 5.137 10 40 HKCB CCCCCC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccccc1 2677036 OIVYMCRURHNYKF-UHFFFAOYSA-O 406.402 7.333 10 40 HKCB C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17089131 ABHSYVXGOZMKRA-XLNRJJMWSA-N 412.449 5.040 10 40 HKCB O=C(Nc1ccccc1Oc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 40150524 XNYXJWPJRUOKPB-NRFANRHFSA-N 418.493 5.398 10 40 HKCB Cc1sc(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 95352927 GEUUOHHYVOELNZ-QFIPXVFZSA-N 418.474 5.343 10 40 HKCB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C 222962055 RPKWSSOCZAQEAS-ZEQRLZLVSA-N 418.610 5.570 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1 225013806 NFXUOPQDHZGKCY-BJKOFHAPSA-N 416.594 5.404 10 40 HKCB CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3O)C2=O)cc1 408983362 BHXMXDVEKZTWEK-XDJHFCHBSA-N 417.892 5.916 10 40 HKCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 409196705 YSFBNGZVYDJUNI-KOEQRZSOSA-N 424.931 6.966 10 40 HKCB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(Cl)cc1 2302909 MBLCCNRZQKALMA-ZROIWOOFSA-N 410.745 5.508 10 40 HKCB CC(C)C1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 4593593 QLCQBCXYUBJIQD-IKFXBDGZSA-N 418.522 5.102 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1C 6088316 DUMLYCNLIWSTJA-HYARGMPZSA-N 416.904 6.517 10 40 HKCB CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1 59535631 BGTSOVWACZBHIC-YBEGLDIGSA-N 420.899 5.053 10 40 HKCB COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(C)cc2)C1=O 408760239 VBTODSRLQMGHQY-RCCKNPSSSA-N 402.881 5.492 10 40 HKCB COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(C)C 2798518 RBQHFYUTMLDOCD-NPRIEWAGSA-N 413.564 5.445 10 40 HKCB CCCC1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 4613942 VLOQLHGYVXNTJN-HXBSJJRASA-N 410.524 5.158 10 40 HKCB CCCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 6804347 VKPHNSVKEJEMEV-UHFFFAOYSA-N 406.526 5.367 10 40 HKCB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 22259242 TZGNCCARRSXJIY-UHFFFAOYSA-N 413.926 5.495 10 40 HKCB CCN(CC)c1ccc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccn2)cc1 28291166 JIOHDTAJAOMJMD-UHFFFAOYSA-N 417.597 5.677 10 40 HKCB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260577861 NROMPWHSEKXIBT-IXFSTUDKSA-N 414.977 5.611 10 40 HKCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C 408756969 KWHCRPBJVAHWMH-QRVIBDJDSA-N 418.928 5.565 10 40 HKCB CC(C)OC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2c1N 8441408 AREIWKDGRGENKO-UHFFFAOYSA-N 422.937 6.431 10 40 HKCB COc1cc(OC)c(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1Cl 25465456 OKJROJUFPSRLPR-UHFFFAOYSA-N 402.853 5.156 10 40 HKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 100791374 JERIWRPQOYWGRY-LDADJPATSA-N 406.825 5.104 10 40 HKCB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C 222879948 QTFROVROSSTUEU-BJKOFHAPSA-N 418.610 5.488 10 40 HKCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1 222917741 WJWOPTCKRPDJOI-BJKOFHAPSA-N 418.610 5.426 10 40 HKCB CCOc1c(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC 409339017 DHEDBZHVUASSCO-WJDWOHSUSA-N 405.928 5.153 10 40 HKCB Cc1cccc(NC(=O)COc2ccc(C3Nc4cccc5cccc(c45)N3)cc2)c1 3641643 GFSBPBHXQQDFJX-UHFFFAOYSA-N 409.489 5.702 10 40 HKCB Cc1ccccc1COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 4604028 KXRMIZWNBLRLNX-JCMHNJIXSA-N 417.555 5.980 10 40 HKCB CCCCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 5371339 AKSKAXKIZAPFQZ-RGEXLXHISA-N 413.564 5.452 10 40 HKCB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Cl 222614445 VKKDAGRGHICLNA-UZQPLGKSSA-N 422.985 5.732 10 40 HKCB CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C 223539305 UBWMQZLUXPENRG-CPEHUTGBSA-N 420.578 6.035 10 40 HKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408736219 MJLRTIHXEGOHMF-SLSDLSHTSA-N 405.900 6.885 10 40 HKCB COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 408756415 ZKLDWEGWCFHPMR-NLRVBDNBSA-N 418.496 5.991 10 40 HKCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)cc1 408785596 HWKKQXDTSUEAHK-XMHGGMMESA-N 400.409 5.514 10 40 HKCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Cl)cc1 408843896 SSYOIXOSKVRSSM-XSFVSMFZSA-N 417.852 5.391 10 40 HKCB CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409327323 JCRYVGVYHAFRFA-MOSHPQCFSA-N 409.507 5.783 10 40 HKCB