smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(-n2nc(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2O)cc1C 13864623 KGWOHSFVIPYHJZ-OCOZRVBESA-N 416.437 5.476 10 1 HKCF COc1ccccc1[C@H]1N=C(c2ccc(C)cc2)C[C@H](c2cc(Cl)ccc2O)N1 59524358 DIZUXWMTPQQXAR-QPPBQGQZSA-N 406.913 5.585 10 1 HKCF CC[C@H]1CCC[C@]12CC(c1cc(O)c(O)c3c(O)cccc13)=Cc1cc(O)c(O)cc12 2356761579 PLJPZXRNBKWHMH-QMTYFTJSSA-N 418.489 5.760 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc13)C=CC(C)(C)O2 14560186 GVACMMPZGMSLAB-UHFFFAOYSA-N 420.461 5.270 10 1 HKCF biogenic COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC=C(CCC=C(C)C)C[C@@H]1C2=O 15268459 FGQZFAWOAMMXKN-DWXRJYCRSA-N 424.537 5.805 10 1 HKCF endogenous,in-man CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1 96168192 JPXKYKUEPDAHIQ-UHFFFAOYSA-N 421.504 5.504 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)n(Cc3ccccc3)c3ccccc23)N1 962939947 CJEFWGBTKWNHMV-PBBNMVCDSA-N 419.572 6.493 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 962957158 NTHOOKNUUBLMDN-CRYYWNKWSA-N 424.500 5.181 10 1 HKCF C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3ccc(O)cc3)cccc2NC1=O 29125567 JUCMNLHEHZFMQW-MOMVRTCWSA-N 404.857 5.639 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c(C)c(-c3ccc(O)cc3O)oc12 85996579 HGQFHBRDQMGDKQ-OVCLIPMQSA-N 408.494 6.466 10 1 HKCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c3ccccc23)N1 587758482 XLOBPZWMTVJZGA-WHEQGISXSA-N 413.334 5.431 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)cc2)N1 587768785 WDXRQRQYLMKTRG-QRQCRPRQSA-N 417.366 5.376 10 1 HKCF CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(N)=O 1911580209 SPLWFINJXYMQME-CYYJNZCTSA-N 403.482 5.366 10 1 HKCF COc1ccc2c(c1)C(C)(C)C(=CC=C[C@@H]1N(C)c3ccc(OC)cc3C1(C)C)N2C 2356849685 PLRRQQDUTOVBOU-DEOSSOPVSA-N 418.581 5.668 10 1 HKCF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 118921352 CUAZJQMHHHCUPZ-WFVDQZAMSA-N 400.611 6.226 10 1 HKCF COc1cccc2c(-c3c(O)cc4c(c3O)[C@@H](C)N(C)[C@@H](C)C4)c(C)cc(OC)c12 238783199 WRXPLBVTINZPLM-LSDHHAIUSA-N 407.510 5.181 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2O)N1 587835489 XOJMUUBYUIWCDH-FPTDNZKUSA-N 412.302 5.120 10 1 HKCF O=C1Nc2ccccc2/C1=C\c1c(Cl)n(CCCc2ccccc2)c2ccccc12 169310830 MXXKVBCMJCLKNZ-OQKWZONESA-N 412.920 6.420 10 1 HKCF Cn1c(/N=N/C(=C\Cc2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O 169720510 KOMLFNUEJOALBN-LQRAQQMYSA-N 414.896 5.954 10 1 HKCF Nc1ccc(Oc2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587196272 POWFGVOLNFKSBZ-UHFFFAOYSA-N 420.516 6.144 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5c(c4)OCO5)n3)c2C)c1 587924389 WFTOBLVIMKMJNW-UHFFFAOYSA-N 420.559 6.335 10 1 HKCF Oc1cc2c3c(c1O)C=C[C@H]1CCC[C@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356770990 NDBSHPLPNRXPTH-PVPMGCCUSA-N 414.457 5.377 10 1 HKCF CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]2(C)C1 15268463 YCZAHJSVHOSXPX-CRICUBBOSA-N 410.510 5.502 10 1 HKCF endogenous,in-man CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c2C)c1 587924365 UUPRWUPIWJDPAZ-UHFFFAOYSA-N 419.619 6.673 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1 617960040 BVMWBLSGXGHKHI-UHFFFAOYSA-N 407.433 5.440 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@H]1C2=O 15268437 JIBJRIUIIPXXGN-BSBLBABLSA-N 424.537 5.661 10 1 HKCF biogenic,in-vitro C[C@H](/N=N/c1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccccc1 169689561 JRLRBGFSZQGQGY-MSJHBLJNSA-N 407.566 5.477 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 587048723 JSMQZOQEMRYKPP-HOTGVXAUSA-N 410.304 6.515 10 1 HKCF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934028 ADAAPKSHSWRDNZ-AREMUKBSSA-N 421.500 6.126 10 1 HKCF CC(C)COc1cccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587565877 LYBJXNYQKBZLNM-UHFFFAOYSA-N 403.482 5.551 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccccc2NCc2cc(N(C)C)ccc2O)c(F)c1 1911576287 JHFHNSGJYJOJFB-INIZCTEOSA-N 422.500 5.153 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 587077988 DODFCHBOIMBMEG-COKJOHSESA-N 421.931 7.349 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2)cc1 587196136 RIKFWVZXCYRSNB-UHFFFAOYSA-N 403.417 5.549 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276251 JRHLYAJBMJSTIC-YVHKJVDXSA-N 402.498 5.904 10 1 HKCF CCC(=O)Nc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922031 HAGZGKKLRKIFIO-UHFFFAOYSA-N 419.525 6.372 10 1 HKCF CCCCN(CCCC)C(=S)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103960194 MBKZWADTDFDBPZ-QZQOTICOSA-N 411.369 5.907 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587272184 PFCIVGVFHLUKBI-JCGVRSQUSA-N 415.280 5.913 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc5ccccc45)c1C)[C@@H](C2)C3=O 587431745 QVPUEVHLGQUXSY-WXVAWEFUSA-N 409.485 5.745 10 1 HKCF O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 101257171 MCIYJCSAOJOHTR-ZCVJKFOLSA-N 411.457 5.111 10 1 HKCF Cc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cs2)o1 587017743 YMIPFTRJZIPVOA-UHFFFAOYSA-N 411.442 5.030 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587739111 FNZXAGKQDUNGMB-SZNDQCEHSA-N 405.355 5.366 10 1 HKCF O=C1C(=Cc2cc(Cc3ccccc3)ccc2O)SC(=S)N1Cc1ccccc1 1857589423 MFWVQFFHEKEQSO-UHFFFAOYSA-N 417.555 5.384 10 1 HKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)ccc12 29468940 QUMNOPHYTSYIGM-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 587512223 MCEYMEKRBPSXEB-MHZLTWQESA-N 413.561 6.803 10 1 HKCF Oc1ccc(-c2ccc(F)cc2)cc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962992631 HZZUCNCQCFTIGD-VWLOTQADSA-N 416.521 5.803 10 1 HKCF Fc1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078271 NEFFLYPNWFTXHD-JKDFXYPNSA-N 418.697 5.944 10 1 HKCF CCN(CC)c1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587921856 CKQUCJQECMMGES-UHFFFAOYSA-N 419.569 6.870 10 1 HKCF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934029 ADAAPKSHSWRDNZ-SANMLTNESA-N 421.500 6.126 10 1 HKCF CC(C)=CCc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)cc(O)c1O 14727565 VIVNYHHTGQMWKZ-UHFFFAOYSA-N 422.477 5.300 10 1 HKCF biogenic CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(Cl)c1 96172903 HCSFIJHHKLSAHN-MRXNPFEDSA-N 401.934 5.479 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1 587075052 BTRVCLPVYIEHBZ-OAQYLSRUSA-N 404.857 5.208 10 1 HKCF CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 580680 WTYYMEHQSWTSIJ-UHFFFAOYSA-N 403.357 5.459 10 1 HKCF CC(C)C(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 102419319 SUKTZWIMQLHZJD-DEOSSOPVSA-N 403.526 5.565 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 587195348 HRNFYNVFQSAAGV-UHFFFAOYSA-N 404.405 5.759 10 1 HKCF Cc1ccc2c(ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c32)n1 587275653 FKCNGOKRLDEPAJ-PBPSECFOSA-N 411.465 5.463 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)O2 587384628 GLMZGBGBKSJFHQ-XMMPIXPASA-N 414.480 5.734 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCC3)cc2O)N1 587811124 MTQXUKUFZOWYBR-XUSGNXJCSA-N 420.322 5.239 10 1 HKCF CSc1ncc(CN2CCC(N(C)Cc3c(Cl)cccc3Cl)CC2)s1 299864666 RTFNGEGPJXAVLW-UHFFFAOYSA-N 416.443 5.268 10 1 HKCF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)s1 587022922 FKMLPOMRSZZKGZ-UHFFFAOYSA-N 423.498 5.408 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587505144 YLUHWRIXTAMEMS-XMMPIXPASA-N 405.925 6.333 10 1 HKCF Cc1cc(-c2csc(-c3c(F)cccc3Cl)n2)c(C)n1-c1ccccc1F 587922227 LMWSJGVUFTVKGZ-UHFFFAOYSA-N 400.881 6.816 10 1 HKCF CCCCCCN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC 26579930 VIWDLOULPVYIDY-UHFFFAOYSA-N 413.565 7.157 10 1 HKCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3nc12 26848001 QRLPJLDOVWIAEI-UHFFFAOYSA-N 411.914 5.465 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 587949676 KPFDFUDJERUARY-LICLKQGHSA-N 419.484 6.900 10 1 HKCF Oc1c([C@@H](Nc2nccs2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12 37866033 MPZSZIQKQCFESF-INIZCTEOSA-N 401.413 5.617 10 3 HKCF COc1cc(OC)c2c(c1CC=C(C)C)[C@@H]1[C@@H](C2)C(C)(C)[C@@H]1c1ccc(O)c(O)c1 13373191 AMQPNUCGYDLCTA-AYCKEJKLSA-N 408.538 5.703 10 1 HKCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCCC3)cc2)N1 587769863 ZODQRGXNYBDXFR-QRQCRPRQSA-N 417.366 5.592 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O 13340429 FVNFXIPJDHVJGE-REZTVBANSA-N 410.510 5.560 10 1 HKCF endogenous,in-man CC(=O)Nc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)cc1 64446868 RABJSOSXLGPEOD-JCMHNJIXSA-N 415.880 5.133 10 1 HKCF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(-c5ccccc5)cc4)ncnc32)c1 169685275 IKUDMUGNFSBYHS-SJCQXOIGSA-N 420.476 5.775 10 1 HKCF CC(C)=CCC/C(C)=C/C[C@@]12O[C@]1(CC=C(C)C)C(=O)c1c(cc(O)c(C)c1O)C2=O 85593679 SPBCICJVKKIBOS-BUNSGOPQSA-N 424.537 5.732 10 1 HKCF Cc1ccc(/C=C/C(=O)NCCCCNc2c3ccccc3nc3ccccc23)cc1 95582515 CRADVTYAJFUGFE-WUKNDPDISA-N 409.533 5.718 10 1 HKCF COc1ccc(NS(=O)(=O)c2ccc(/N=N/c3cc(C)c(O)c(C)c3)cc2)cc1 103279602 HFLAYZFLAUGYSL-GHVJWSGMSA-N 411.483 5.234 10 1 HKCF CCOC(=O)[C@@H]1CCCC[C@@H]1N(C)CCC=C1c2ccccc2CCc2ccccc21 299859511 FUPLLNVZIPQQNU-SXOMAYOGSA-N 417.593 5.661 10 1 HKCF Cc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2c1 587755001 NOSBIKUUUNGVRL-GTJPDFRWSA-N 401.323 5.320 10 1 HKCF Cc1cc(-c2csc(-c3ccccc3C(F)(F)F)n2)c(C)n1-c1ccccc1F 587922782 VUEMUPWYWLGPHE-UHFFFAOYSA-N 416.443 7.043 10 1 HKCF Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2-c2cc(-c3ccccc3)nn21 169702030 SQWOBUZEINPFNU-QFIPXVFZSA-N 408.288 6.202 10 1 HKCF COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2ccccc12 26000377 NUVZHPITUYHUDC-UHFFFAOYSA-N 423.409 5.953 10 1 HKCF O=C1/C(=C/c2csc3ccc(Cl)cc23)SC(=S)N1Cc1ccccc1 84705219 UAXZWBCCIYJKEJ-IUXPMGMMSA-N 401.965 5.956 10 1 HKCF Cc1cc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F 587922431 ORXSGSDRSYDXKQ-UHFFFAOYSA-N 404.554 7.321 10 1 HKCF O=C(Nc1ccccc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5162436 GZNSAGOUDBUPIM-UHFFFAOYSA-N 404.473 6.776 10 1 HKCF CCOP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OCC 28241694 AAZRFBXPIIVPES-UHFFFAOYSA-N 421.437 6.725 10 1 HKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1C 26852268 JCOACWFXJOTHQK-UHFFFAOYSA-N 405.523 5.428 10 1 HKCF CN(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(O)c3)c2)cc1O 28949019 PKOODIKDCOLLLN-GFULKKFKSA-N 400.522 5.571 10 1 HKCF O=C1N=C(c2ccc3ccccc3c2)S/C1=C\c1ccc(Oc2ccccc2)cc1 84668400 VWSAPQWMTMENNE-JLPGSUDCSA-N 407.494 6.693 10 1 HKCF CC(C)=CCC[C@H](C)/C=C/c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 238740002 VZJLYIVZEHIVNN-NTLSDECPSA-N 424.493 5.611 10 1 HKCF COC(=O)c1ccccc1-n1c(C)cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1C 963113164 SDFZJCHDUYFLHH-DFBJGRDBSA-N 418.512 5.130 10 1 HKCF CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O 1857550747 VIYVSEMGWXQRLD-OCEACIFDSA-N 404.466 5.966 10 1 HKCF COC(=O)c1ccc(-n2c(C)ccc2-c2ccc(SC)cc2)c(O[C@@H]2CCOC2)c1 587927751 XULRSWNAXLSILS-LJQANCHMSA-N 423.534 5.129 10 1 HKCF CC(C)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]2(C)C1 15268461 YCZAHJSVHOSXPX-SSOJOUAXSA-N 410.510 5.502 10 1 HKCF endogenous,in-man Oc1ccccc1CN[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 34133029 UUYMUWQTGVZMCY-HHHXNRCGSA-N 409.529 5.029 10 1 HKCF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587574594 XPCSGZDJVQLOQK-DHLKQENFSA-N 403.478 5.250 10 1 HKCF CC1=C[C@H](CNCc2ccccc2O)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356316441 KQRYMPYFRPEGEB-DNVJHFABSA-N 417.597 5.764 10 1 HKCF COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c(O)c1-c1ccc(O)c(O)c1 72176110 VMYTYXJHKQRPTA-UHFFFAOYSA-N 422.477 5.369 10 1 HKCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)ccc2O)N1 587822212 LTMYRPZWMXLRAY-WHEQGISXSA-N 412.302 5.584 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587956133 VNUVMWTXQCNJQZ-DEOSSOPVSA-N 405.501 6.312 10 1 HKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc2)cc(C)c1O 103279589 WNCKBBYSIBZELD-GHVJWSGMSA-N 416.890 5.274 10 1 HKCF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(NC(=O)CN=[N+]=[N-])c3CC[C@H]21 1857645465 YJSZMHXEZNAAAH-SXSPYAJSSA-N 412.534 5.242 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356580732 XCYSQFHYFNWYFP-JOCHJYFZSA-N 424.493 5.451 10 1 HKCF Oc1ccccc1C1=NN(c2cccc(Cl)c2)[C@@H](c2ccc(O)c(F)c2F)C1 299828313 IWYZSYOXYGMZMV-QGZVFWFLSA-N 400.812 5.385 10 1 HKCF CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2C(=O)O)o1 653838491 BOZXTRFDIDZQLX-PDGQHHTCSA-N 406.825 5.104 10 1 HKCF Fc1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078032 FQJDHILBYWMCMK-RVPKQNPDSA-N 418.697 5.944 10 1 HKCF FC(F)(F)Sc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078150 JBCGLPTUISEKMD-JCGVRSQUSA-N 421.875 6.655 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)O2 587403721 KWVQJGYTYSXRKU-HDYLNDSGSA-N 421.537 5.337 10 1 HKCF Nc1c2ccccc2nc2c(C(=O)NC3CCCCCCCCCCC3)cccc12 29489965 SLBBLMVUNKURGD-UHFFFAOYSA-N 403.570 6.373 10 1 HKCF CCN1/C(=C/C=C/c2sc3ccc(F)cc3[n+]2CC)Sc2ccc(F)cc21 36419347 WODQVNMXDOHVSQ-UHFFFAOYSA-N 401.527 5.974 10 1 HKCF CC(C)=CCc1cc([C@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc(O)c1O 2356677386 ARKWSSISMOPLRP-HSZRJFAPSA-N 408.494 5.527 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)O2 587378721 PESHHFDXTRLXRV-HXUWFJFHSA-N 415.320 5.998 10 1 HKCF Cc1ccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc4ccccc4n3)n2)cc1 1772588887 PJZUYEVJTDXSRL-UHFFFAOYSA-N 419.488 5.230 10 1 HKCF C[C@H](CCCN=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64286900 ROZHNBUMXGWLHD-ULQOMZCQSA-N 403.611 5.704 10 1 HKCF CC[C@H](Oc1ccccc1F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587155506 LQQCWOQPBCZRNI-SFHVURJKSA-N 400.409 5.008 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694236 PRCLXVXRLKVYBD-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF CCn1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587754716 MFHSGTLZKNVNNC-QKVFXAPYSA-N 401.323 5.495 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)C(=O)[C@H]2CC=C(C)C 963245126 ZOVHPKQCTRGXEG-RMQVNJIYSA-N 401.550 5.325 10 1 HKCF CC(C)=CCC[C@@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356552599 VZJLYIVZEHIVNN-QRQCRPRQSA-N 424.493 5.611 10 1 HKCF OC[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(Cc2ccccc2O)O1 84689533 FELCKJHHQFDXLA-ZJSXRUAMSA-N 409.485 5.529 10 1 HKCF Cc1cc2c(c3oc(=O)c(-c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473084730 UGPMZVLPNAUBJK-UHFFFAOYSA-N 424.452 5.331 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4cncn4)n3)c2C)c1 587924122 GQLIESWEOMBNOI-AWEZNQCLSA-N 409.584 5.335 10 1 HKCF Nc1cccc(Br)c1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 587934567 IHCVDONKKBCZEB-UHFFFAOYSA-N 419.706 5.160 10 1 HKCF Cc1ccc(C)c(-n2c(-c3ccc(Cl)cc3)cc(CNC3CCCCC3)c2C)c1 1857615613 MUWATWZUXYVYCH-UHFFFAOYSA-N 407.001 7.145 10 1 HKCF COc1cccc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1O 72123056 LRXYIZSBKPCBKS-UHFFFAOYSA-N 419.569 5.589 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 587150491 RZTNSTATYABVFR-RUZDIDTESA-N 424.479 6.278 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2O)N1 587691185 DBSZAFMRDCLYCH-KWKYVRJSSA-N 405.094 5.224 10 1 HKCF Cc1cc(Br)ccc1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586981089 KMVIAGYZZNXIJF-UHFFFAOYSA-N 424.298 5.587 10 1 HKCF CC1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587770253 RWYOLKYWTKTTPH-IVZQSRNASA-N 417.366 5.448 10 1 HKCF COC1(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)CCOCC1 587924401 WUWFMLRIKHQWLA-UHFFFAOYSA-N 414.596 5.592 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 587510621 BSQLQRSBFXANBT-MHZLTWQESA-N 411.545 6.168 10 1 HKCF CC(C)N1CCCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587767495 RBGKNWJYLARGAM-FPTDNZKUSA-N 417.366 5.373 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(F)c(F)c4F)c1C)[C@@H](C2)C3=O 587422265 CPWICFMRJNVHHA-WNSKOXEYSA-N 413.395 5.009 10 1 HKCF O=C(O)[C@H]1CCCN(CCC=Cc2cccc(N=Nc3cccc4ccccc34)c2)C1 1857750157 XPFBDFBVESCJJA-QFIPXVFZSA-N 413.521 6.455 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C)cc3C)c1C)CC2=O 587468735 AOZUIRVCGTZSOQ-VWLOTQADSA-N 403.522 6.076 10 1 HKCF Oc1ccc2ccccc2c1[C@H](c1ccc(Br)s1)N1CCCCC1 653711509 NHHAQDIOXLTKKK-FQEVSTJZSA-N 402.357 5.945 10 1 HKCF COc1ccc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)cc1 653819854 NRFPPBWSTJGZNB-UHFFFAOYSA-N 412.558 5.432 10 1 HKCF C[C@@H](N[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cccc2ccccc12 208575600 NTZPBYNFZRAXDS-SJLPKXTDSA-N 400.444 5.668 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)cc1 587076656 NVLCEFBCOJBUQH-HSZRJFAPSA-N 418.928 5.928 10 1 HKCF O=C(O)c1cccc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)[nH]c12 587637336 BILPFJVQGZOTOR-UHFFFAOYSA-N 400.236 6.646 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c3ccccc23)N1 587755167 NFLBMQVYYAVSAZ-WHEQGISXSA-N 413.334 5.431 10 1 HKCF COc1ccc2ccc(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2c1 13864576 BFBMBVAXYVNQLH-GHVJWSGMSA-N 424.434 5.075 10 1 HKCF O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccccc1F 72177438 IVPSFAAKNGILAC-UHFFFAOYSA-N 415.262 5.533 10 1 HKCF Oc1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078540 VFYSZOSRIMLNGR-USBNGQNGSA-N 416.706 5.511 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587822527 OWLBVUQVKCIDSW-WYRIXSBYSA-N 420.322 5.027 10 1 HKCF O=C(CSCc1cccc(Br)c1)/N=N\c1c(O)[nH]c2ccccc12 13125749 QBSSKIZTFDHQPV-MRCUWXFGSA-N 404.289 5.180 10 1 HKCF Cc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c(C)c1 222927949 OXHLEQLHQKEMTN-UHFFFAOYSA-N 402.500 5.235 10 1 HKCF Cc1ccc2c3c(cc(-c4[nH]c5cc(O)nc(O)c5c4C)nc13)-c1ccccc1C2=O 587097540 QLYIVRJDBMGZRF-UHFFFAOYSA-N 407.429 5.018 10 1 HKCF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118921323 GVAFDDZLMDYKNT-JGFDLHJZSA-N 416.610 5.197 10 1 HKCF COc1ccc(-n2cnc3cc(NCc4ccc(Cc5ccccc5)cc4)ccc32)cc1 95585432 COTZCPBVWGWTME-UHFFFAOYSA-N 419.528 6.237 10 1 HKCF Cc1ccc2c(ccc3[nH]c(-c4ccc(N=Nc5ccc(N(C)C)cc5)cc4)nc32)n1 587196691 XNAOFARSRDJBEL-UHFFFAOYSA-N 406.493 6.568 10 1 HKCF COc1ccc(C=C2N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1OC 1857621408 MMVXJAWVEAGMBO-UHFFFAOYSA-N 418.880 5.192 10 1 HKCF CCCCc1ncc(/C=C(\Cc2ccc(N)cc2)C(=O)O)n1Cc1ccccc1Cl 1552594 XLNVCEDEMNNHQB-XMHGGMMESA-N 423.944 5.220 10 1 HKCF CC[C@H](C)NCc1ccc2n1-c1ccccc1S[C@@H]2c1ccc(OC)cc1OC 13651969 KINZMPRXMDYDFD-UPCLLVRISA-N 408.567 5.578 10 1 HKCF COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=S)Oc2ccc3ccccc3c21 103296287 SAUIQPVVLLPZLV-DEOSSOPVSA-N 400.543 6.817 10 1 HKCF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587075173 DYOCFHRRDPANBE-UHFFFAOYSA-N 415.884 5.752 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c[nH]c5ccccc45)n3)c2C)c1 587924463 ZMFPHABFKXKBKI-UHFFFAOYSA-N 415.587 7.088 10 1 HKCF Cc1ccc([C@@H]2c3cccc(Br)c3CCN2C)n1-c1ccc(Cl)cc1 963279836 JONOHNKPFCLERE-NRFANRHFSA-N 415.762 5.779 10 1 HKCF CC(C)[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197822 PMBZSXSLMICQJC-HXUWFJFHSA-N 410.518 5.501 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277338 TZNVGTXYYPGKKW-JLHGSKIFSA-N 404.470 5.393 10 1 HKCF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C)cc(O)c(O)c2O1 2356402220 BTLRXKRGQQIJSD-HHHXNRCGSA-N 412.614 7.689 10 1 HKCF Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCCN=[N+]=[N-])c4c21)CNC3=O 29570869 GJPZPZPQXAXBDQ-UHFFFAOYSA-N 408.465 5.383 10 1 HKCF Cc1cc(O)c2c(c1)C(=O)C(=O)c1cc3c(cc1-2)C[C@H](C(C)C)c1cc(C)cc(O)c1-3 139032397 KJKATCCXLQTBMC-MRXNPFEDSA-N 412.485 5.723 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c21 587052926 UHAXORLANNTXJA-UHFFFAOYSA-N 423.859 5.449 10 1 HKCF Cc1cc(C(C)(C)C)ccc1OCC(=O)N=Nc1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12 617960115 SQUVFSHKZDIQCW-UHFFFAOYSA-N 424.457 5.385 10 1 HKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587751500 NAOQMQJUUIUDAZ-MCMMXHMISA-N 413.334 5.619 10 1 HKCF CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587794767 PZRXFXRMXKPXJS-YUNKPMOVSA-N 408.311 5.096 10 1 HKCF Cc1ccnc2c1CCN[C@@H]2c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 963073547 QWHDFJZEBRYFDZ-OAQYLSRUSA-N 419.878 5.705 10 1 HKCF Cc1ccc(O)c2c1[C@H](C)C[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949154 BQFRITHLZDDVJC-CMJOXMDJSA-N 417.471 5.122 10 1 HKCF C[C@@H](/N=N/c1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 169694194 REKPRQTZCBIEQC-AYQYHEKESA-N 410.456 5.852 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c3ccccc23)N1 587755165 NFLBMQVYYAVSAZ-DMZKTXOQSA-N 413.334 5.431 10 1 HKCF CCn1c2[n+](c3cc4ccccc4cc31)CC/C2=C\C=C1\N(C)c2ccccc2C1(C)C 13452980 BVGZAJZXXKFRPL-UHFFFAOYSA-N 420.580 6.201 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]12 15268429 FMJIKKXSIVRJGO-LVJZWUNYSA-N 410.510 5.358 10 1 HKCF in-man,metabolite C[C@@H](/N=N/c1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccccc1 169689560 JRLRBGFSZQGQGY-YMRWSMOXSA-N 407.566 5.477 10 1 HKCF Cc1ccc(N=Nc2c(CSc3ccccn3)[nH]n(-c3ccccc3)c2=O)cc1 299849346 JROWSGBRPOWLSF-UHFFFAOYSA-N 401.495 5.577 10 1 HKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccs1 45335981 ZPQWKZCHJRSZMR-SFHVURJKSA-N 409.536 5.010 10 1 HKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(Cl)c(Cl)c3)c(C)c1C(=O)C2=O 1857643857 VJYWBIPLZIQKEA-UHFFFAOYSA-N 414.288 6.170 10 1 HKCF CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](C(C)C)N2)c1O 4729705 OKKJJNGNFXZNBY-NQIIRXRSSA-N 417.347 5.059 10 1 HKCF CCN1/C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)Oc2ccccc21 13452953 AGNGAZMGZDVIHG-UHFFFAOYSA-N 410.541 5.895 10 1 HKCF Cc1oc2ccc(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NC1CCCC1 101170617 MGIYBGODLWDRRL-HFJWLAOPSA-N 424.585 5.520 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccccc1-n1cccc1 102585322 UXNLIKVLGGBMQI-GHVJWSGMSA-N 409.243 5.351 10 1 HKCF Cn1c(/N=N/C(=C\Cc2ccc(Cl)cc2)c2ccccc2)nc2ccccc2c1=O 169720509 KHIFPBBTTXEUQQ-PJYPXNKPSA-N 414.896 5.954 10 1 HKCF Cc1ccccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 201504052 NFZADVKDECOGRO-OCEACIFDSA-N 418.478 5.455 10 1 HKCF CCOc1ccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)cc1-n1c(C)ccc1C 653724804 YDVUQNJIGSUDND-IBGZPJMESA-N 421.493 5.023 10 1 HKCF CC(C)=CCCC(C)=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 2356508542 ILCMVLORKWIOOH-JOCHJYFZSA-N 424.493 5.451 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)[nH]1 169730170 SAPAGOPPQOWOKE-PZDJSTGFSA-N 410.886 6.488 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)O2 587403719 KWVQJGYTYSXRKU-DFCKQENNSA-N 421.537 5.337 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(F)c(F)c4)n3)c2C)c1 587924213 LYPCQWRDKKCEPU-UHFFFAOYSA-N 412.530 6.885 10 1 HKCF CCCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 27526174 CYTLNADPAXWXIP-UHFFFAOYSA-N 401.466 5.582 10 1 HKCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21NCCc2cc(-c3ccccc3)ccc21 962667043 UYVWAOQARWVBCP-AREMUKBSSA-N 401.506 5.018 10 1 HKCF COc1ccc([C@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)cc1 13651965 LHLNOEZNOVWYGN-RUZDIDTESA-N 416.521 6.432 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)c(C)cc(OC)c12 95486149 FXTOKXMBXDISIX-HUUCEWRRSA-N 407.510 5.147 10 1 HKCF biogenic,in-vitro Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1cccc(F)c1 169351643 BYVZMNCGHRDWJH-QHCPKHFHSA-N 400.478 6.496 10 1 HKCF COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1 208400597 MGZAYXLHYDPOOC-UHFFFAOYSA-N 423.534 5.005 10 1 HKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587767089 QFVLPIGGUVSZOW-LHSJRXKWSA-N 403.339 5.120 10 1 HKCF Oc1cc2c3c(c1O)C=C[C@H]1CCC[C@@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 85569204 NDBSHPLPNRXPTH-WZQKQDCOSA-N 414.457 5.377 10 1 HKCF biogenic,in-vitro Fc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1Br 587078051 GEULYRZECCAAKX-RVPKQNPDSA-N 418.697 5.944 10 1 HKCF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CNCC12CCCN1CCC2 40936735 DJMAKTMDFJDXHC-UHFFFAOYSA-N 422.960 5.055 10 1 HKCF CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 82177910 XOWJFNSSCDRCRS-UHFFFAOYSA-N 406.578 5.352 10 1 HKCF CCN(CC)c1ccc([C@@H]2Nc3cc(C)ccc3N=C3CC(C)(C)CC(O)=C32)cc1 103903065 FMHGISMBVNIRTC-VWLOTQADSA-N 403.570 6.713 10 1 HKCF COc1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512837 OWGWMNPLWGSAQB-VWLOTQADSA-N 401.506 5.688 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c3ccccc23)N1 587758478 XLOBPZWMTVJZGA-DMZKTXOQSA-N 413.334 5.431 10 1 HKCF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CN=[N+]=[N-])[C@H]4O 1772618854 HDDHCSHFMPQTGQ-FDSZRRAQSA-N 403.567 5.250 10 1 HKCF COc1ccc(C[C@@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 587926634 MKLYJJOBBUSSPK-OAHLLOKOSA-N 403.482 5.301 10 1 HKCF C[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc(CN2CCSCC2)cc1 52969628 JECVFMSLAKGHIR-UHFFFAOYSA-N 403.615 5.670 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277351 UGWHDOHTQFOWRI-FHGNATFXSA-N 400.360 5.023 10 1 HKCF Cc1[nH]cc2c1-c1c([nH]c3ccc(Cl)cc13)[C@H]1N(C)c3ccc(Cl)cc3[C@]21C 2356713139 ZVEJGLKGBBJKBW-DHIUTWEWSA-N 408.332 6.589 10 1 HKCF Cc1nc2ccc(Cl)cc2c(N2CC(C)(C)c3ccc(-c4cn[nH]c4)cc32)c1C 118092172 CSBBQQNLCIZOAL-UHFFFAOYSA-N 402.929 6.324 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1cccc(Cl)c1 169351620 IVFSLINKSXTQEZ-QHCPKHFHSA-N 416.933 7.010 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2F)N1 587724555 JFNLLZBUTGPYMY-ZSEKCTLFSA-N 421.329 5.341 10 1 HKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587751981 PEYLZFKUPFKRHL-WHEQGISXSA-N 413.334 5.619 10 1 HKCF Cc1cc2c(n1-c1ccc(F)c(C(=O)OCc3ccccc3)c1F)CC(C)(C)CC2=O 587943439 BICCSPLHLCLRCE-UHFFFAOYSA-N 423.459 5.576 10 1 HKCF COc1cc([C@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)ccc1O 103296290 WHLQDSPTJGYQME-HSZRJFAPSA-N 416.542 6.522 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)[C@H]1CC=C[C@@H]21 587271483 CPLHTGDOIRPJKE-SOZUMNATSA-N 415.375 5.020 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(Cl)cc2Cl)N1 587694702 QDNDQVLXBPQWEY-HYORBCNSSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(Cl)c2Cl)N1 587696022 OVNSXOVNIKHPFS-HYORBCNSSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587724478 IGMABIZBBHGWMP-YEJXKQKISA-N 421.329 5.125 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)cc2)N1 587765386 JQCMZVRPTARHHN-QRQCRPRQSA-N 417.366 5.376 10 1 HKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1cccc(Br)c1 653808468 YGRUKSHWHPDGME-UHFFFAOYSA-N 400.345 5.666 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724518 IUMYVPNHHGKFEO-ODXCJYRJSA-N 409.318 5.197 10 1 HKCF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Oc5ccc(N)cc5)cc4[nH]1)(C3)C2 587949792 CBXFBMIEEXJFSO-PHBHNISSSA-N 417.509 5.091 10 1 HKCF Cc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(C)n1-c1ccccc1F 653856179 DLIADXDKBMRRKO-UHFFFAOYSA-N 421.604 5.176 10 1 HKCF CN(C)c1ccc(/N=N/c2nc3ccc(I)cc3s2)cc1 84712080 DDEDTRQKFDAWHH-VHEBQXMUSA-N 408.268 5.382 10 1 HKCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCN(Cc2ccccc2)CC1 103262336 UZSJRVCRLZRGPI-UHFFFAOYSA-N 412.533 5.047 10 1 HKCF CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 104023971 DMYVDSXGIXJPIJ-SSOJOUAXSA-N 415.562 6.443 10 1 HKCF COC(=O)c1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1 208398538 FPZRLVWMYYWLRU-UHFFFAOYSA-N 407.535 5.305 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2O)N1 587691188 DBSZAFMRDCLYCH-ZIDLFYJRSA-N 405.094 5.224 10 1 HKCF Oc1c(F)cc(Cl)cc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642148 UOWGJAYQISZGOO-CVDCTZTESA-N 408.904 5.021 10 1 HKCF CSc1ccc(-c2ccc(C)n2-c2cc3cnccc3c(Br)n2)cc1 587939379 COITVWSSMULUBM-UHFFFAOYSA-N 410.340 5.880 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944232 ASNWBDKKKKAHQW-UHFFFAOYSA-N 409.457 6.168 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 587271855 JVPGCTMXQYPQMB-VBHSOAQHSA-N 414.387 5.625 10 1 HKCF CN(C)c1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(N)=S)c2ccccc12 261188709 YHZCISHSXMKUGS-NRFANRHFSA-N 414.534 5.047 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587725922 SXAVWPUEVYMASO-YEJXKQKISA-N 421.329 5.125 10 1 HKCF Cc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587755013 NTICIGDBHKSWRH-GTJPDFRWSA-N 401.323 5.320 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587764294 DDADOAZKSMVBAZ-LHSJRXKWSA-N 403.339 5.120 10 1 HKCF COc1ccc(N(C)Cc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 103266348 DZQHHIAGJGBRPV-UHFFFAOYSA-N 423.438 5.961 10 1 HKCF C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c(ccc3ccccc32)oc1=O 169688876 HFFGKDLYRIXJON-FYKQZTOXSA-N 418.365 5.608 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2O)N1 587691186 DBSZAFMRDCLYCH-MLXNANBUSA-N 405.094 5.224 10 1 HKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2 27998712 QDGVJOFJALCIQY-UHFFFAOYSA-N 409.961 6.058 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 64417175 YKCJFMOBSSZJDJ-DNMBCGTGSA-N 417.594 5.796 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)n1C 169730177 XKRUXJILCSAUIU-DESRBJQCSA-N 424.913 6.498 10 1 HKCF Cc1cc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Br 586976329 IFKRBQLRPROVKX-UHFFFAOYSA-N 408.299 5.599 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)C1C(=O)c2ccccc2C1=O 963234794 VRWRCNNBFOIICI-HMILPKGGSA-N 409.529 5.282 10 1 HKCF CCN(CC)Cc1ccc(Nc2c3nc4ccccc4c-3n(C)c3ccccc23)cc1O 169729269 FPEDCGYDAOBYBM-UHFFFAOYSA-N 424.548 6.122 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587698004 HEXHFYVEJASCOP-DYZYQPBXSA-N 409.690 5.330 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2[C@H](COc2cc(F)cc(F)c2)N=O)s1 587945702 PMSXKEPVUZCJAT-LJQANCHMSA-N 420.437 5.164 10 1 HKCF Cc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)cc1 72175991 QKZNUSMLGKJMFX-UHFFFAOYSA-N 411.299 5.702 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)cc2O)N1 587695289 RBGQYYMXLICPNQ-CQLKUDPESA-N 419.121 5.398 10 1 HKCF CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O)c(O)c1)c1ccccc1 38726563 XFIRLPDGPAOZML-WNAAXNPUSA-N 403.522 5.407 10 1 HKCF world COc1cc([C@@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)ccc1O 103296293 WHLQDSPTJGYQME-QHCPKHFHSA-N 416.542 6.522 10 1 HKCF Cc1cccc(Cn2c(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587390201 LFXOWADFOYEMIE-VWLOTQADSA-N 410.517 5.904 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccccc4)c4ccccc14)[C@@H](C2)C3=O 587432581 WSVNQCPZOHYTLV-IDISGSTGSA-N 409.485 5.495 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c3ccccc23)N1 587758485 XLOBPZWMTVJZGA-XMHCIUCPSA-N 413.334 5.431 10 1 HKCF O=C1C(=Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653768389 YFHDECQWOBVLGQ-UHFFFAOYSA-N 409.272 5.372 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Cl)cc2Cl)N1 587692873 MBRITEYZLQLGNV-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF COC(=O)c1ccc(COc2ccccc2C/N=N/c2cccc(C(=O)O)c2)cc1 169689145 LNQHQYSUQWHUOE-OCOZRVBESA-N 404.422 5.034 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(N=Nc3ccccc3)ccc1O)CC2=O 587469200 LCUHVDSTPGKZBI-HSZRJFAPSA-N 402.450 6.172 10 1 HKCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549657 SICYGPRRYUPGKO-NQIIRXRSSA-N 407.813 5.213 10 1 HKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587769147 XIOIYEDNGCZWGC-SZNDQCEHSA-N 403.339 5.120 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2O)N1 587830643 FHGGDYRIUHNYMV-JLCFBVMHSA-N 412.302 5.120 10 1 HKCF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 95553653 ZJYLOADDCYJFLR-APSNUPSMSA-N 414.690 5.390 10 1 HKCF COc1ccc2c(c1OC)[C@@H](c1cc(-c3ccccc3)cc(Cl)c1O)N(C)[C@@H](C)C2 962635470 RQCYGRVRGXUYME-NPMXOYFQSA-N 423.940 5.696 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N(C)[C@@H]4C)c(C)cc(O)c12 2356530904 LZTDUHSZESGGRE-LSDHHAIUSA-N 407.510 5.186 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N(C)[C@H]2C 2356708993 KTLBUSLEVHZILI-CVEARBPZSA-N 421.537 5.484 10 1 HKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587767094 QFVLPIGGUVSZOW-SPLOXXLWSA-N 403.339 5.120 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N(C)[C@@H]2C 2356708995 KTLBUSLEVHZILI-HZPDHXFCSA-N 421.537 5.484 10 1 HKCF COC(=O)C1=C(C(=O)OC)SC(=C(/N=N/c2ccccc2)c2ccccc2)S1 17953047 IMSBIQYTCFACLN-QURGRASLSA-N 412.492 5.134 10 1 HKCF CCCCN(CCCC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 36425224 YCYQVKNKJQSVAO-UHFFFAOYSA-N 411.977 6.740 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2F)N1 587726636 YPGITRAIISKGQR-YEJXKQKISA-N 421.329 5.341 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4Cl)n3)c2C)c1 587924406 WZLDBOQCUNYYSH-UHFFFAOYSA-N 410.995 7.260 10 1 HKCF S=C1c2c(c3ccccc3n2Cc2ccc(Cl)cc2)CCN1Cc1ccccc1 653819878 YBEZAACKPGKCFS-UHFFFAOYSA-N 416.977 6.077 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Cl)cc2Cl)N1 587692877 MBRITEYZLQLGNV-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF Oc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[C@@H]1NCCc2nc3ccccn3c21 962983302 BOESSENYVKWWDL-NRFANRHFSA-N 410.304 5.249 10 1 HKCF Cc1ccc(-n2c(C)cc([C@H]3c4cccc(Br)c4CCN3C)c2C)c(C)c1 963288565 DPRKSWDOEHCLKW-XMMPIXPASA-N 423.398 6.051 10 1 HKCF CCCSCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 1857588558 NNJBPWGKAQCYIE-UHFFFAOYSA-N 413.608 5.542 10 1 HKCF Cc1[nH]cc2c1-c1c([nH]c3ccc(Cl)cc13)[C@H]1N(C)c3ccc(Cl)cc3[C@@]21C 221770201 ZVEJGLKGBBJKBW-PKTZIBPZSA-N 408.332 6.589 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O 587470917 MYKBXMOCVLMMLX-HSZRJFAPSA-N 419.477 5.187 10 1 HKCF COc1ccc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cc1O 587785553 BOMCCCGEDXAPCB-UHFFFAOYSA-N 423.472 5.986 10 1 HKCF Cc1cc(O)c([C@]2(c3ccccc3Cl)NCCc3ccc(F)c(C)c32)cc1Cl 962373938 KIMSOOYIVLOLGE-QHCPKHFHSA-N 416.323 5.893 10 1 HKCF COc1ccc(NC(=O)c2c(NCc3ccc(N(C)C)cc3)sc3c2CCC3)cc1 3065959 MEZVJFCMHRYIGE-UHFFFAOYSA-N 421.566 5.176 10 1 HKCF CCN1C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)N(c2ccccc2)c2ccccc21 4737664 WSYJPCDEIZKGLE-UHFFFAOYSA-N 420.580 6.768 10 1 HKCF Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccc(C(F)(F)F)cc1 13435922 BOSZNBOLDRTAQJ-UHFFFAOYSA-N 418.411 5.991 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccc(Cl)cc2s1)c1ccccc1 169351599 DMDSZDKVXBVMDZ-QHCPKHFHSA-N 416.933 7.010 10 1 HKCF Cc1cc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)c(C)n1-c1ccccc1F 587922710 SQPFZVHYZNMHCH-UHFFFAOYSA-N 408.458 5.514 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnn5cccnc45)n3)c2C)c1 587924222 MTTBOHGMBKJZDT-UHFFFAOYSA-N 417.563 5.649 10 1 HKCF COc1ccc2ccc(O)c([C@@H](c3cccc4ccccc34)N3CCC(C)CC3)c2c1 653708526 XIXHZKJAINAOFM-MUUNZHRXSA-N 411.545 6.529 10 1 HKCF CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)O1 14660201 DXZNFMDSVMRPKC-RUZDIDTESA-N 404.462 5.092 10 1 HKCF biogenic COC(=O)CCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924238 NQZSXGIPUAGCBE-UHFFFAOYSA-N 400.569 5.435 10 1 HKCF COc1cccc(-c2cccc(-n3c(C)ccc3-c3ccc(S(C)(=O)=O)cc3)c2)c1 587938409 VKPZATOIGOADJZ-UHFFFAOYSA-N 417.530 5.532 10 1 HKCF CCCCCOC[C@H]1C[C@H](C[C@@H](C)/N=N/c2nc(-c3ccccc3)cs2)C(=O)O1 169687956 MZDDHFAEDSOAAM-QHDLGTATSA-N 415.559 5.811 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2c(OC)cccc12 29329256 GSLNHBCMNLUKJW-UHFFFAOYSA-N 402.454 5.360 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3c2)cc1 586895020 LBSWJMNBPZXTOF-UHFFFAOYSA-N 407.473 5.764 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3F)[nH]c21 587110267 YDSZWXIEIHMSCI-UHFFFAOYSA-N 410.326 5.163 10 1 HKCF CCN(CC)c1ccc(N=Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587212395 HSSDJCMARNRCIN-UHFFFAOYSA-N 406.533 7.262 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2F)N1 587726634 YPGITRAIISKGQR-ASSNKEHSSA-N 421.329 5.341 10 1 HKCF CN(C)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C(F)(F)F)c1 962714791 SZAKZTGPPWIIHH-YCRPNKLZSA-N 424.507 5.364 10 1 HKCF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c1 587933252 WILYOCHAJDONIF-UHFFFAOYSA-N 423.472 5.986 10 1 HKCF Cc1cc(I)cc2c1N[C@H](c1cccc(N)c1)[C@@H]1CC=C[C@@H]21 1772652942 INBIXBPYYMPJEB-GPMSIDNRSA-N 402.279 5.008 10 1 HKCF COc1ccc(CCCCN2CCc3c(ccc(CN4CCCCCC4)c3O)C2)cc1 26475882 VVUAYXCELXXUIK-UHFFFAOYSA-N 422.613 5.158 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(OC)c(OC)c(OC)c3)c2c1 72108589 RLPJYBJZWYUCTO-UHFFFAOYSA-N 424.884 5.819 10 1 HKCF Oc1ccccc1CNCCCCCCNc1c2c(nc3ccccc13)CCCC2 95560871 LQAGILIRBJKYDY-UHFFFAOYSA-N 403.570 5.581 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 100704085 XPXOCPLSMXRHPC-FMQUCBEESA-N 423.064 5.323 10 1 HKCF CCOc1ccc(N2CCN3C[C@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 261143814 NMMBTASSEMZGQZ-VPUSJEBWSA-N 412.577 5.570 10 1 HKCF CC(C)=CCC/C(C)=C/C[C@@]12O[C@@]1(CC=C(C)C)C(=O)c1c(O)cc(O)cc1C2=O 100308564 HKGKESKEIDMUJE-GFNWSNCPSA-N 410.510 5.424 10 1 HKCF in-vitro CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3OC)c1C)CC2=O 587468879 BPAMXHBXPQSVFS-DEOSSOPVSA-N 405.494 5.467 10 1 HKCF Oc1ccc2ccccc2c1-c1nc2ccccc2n1Cc1ccc2ccccc2c1O 96177626 FHBKLWOKGDJVOQ-UHFFFAOYSA-N 416.480 6.469 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)cc2)N1 587765378 JQCMZVRPTARHHN-IVZQSRNASA-N 417.366 5.376 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(Cl)c4)n3)c2C)c1 587924173 JTZRRGCFNRXQCP-UHFFFAOYSA-N 410.995 7.260 10 1 HKCF COc1ccc(-n2c(-c3ccc(Cl)cc3)cc(CNC3CCCCC3)c2C)cc1 1857591715 YZXGFLPTAXKYQZ-UHFFFAOYSA-N 408.973 6.537 10 1 HKCF O=C(O)c1cc(-n2c(-c3cccc(C(F)(F)F)c3)cc3c2CCCC3)ccc1O 39194371 PKHLFIXDVRLNDV-UHFFFAOYSA-N 401.384 5.446 10 1 HKCF CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)cc1 169334187 LOPLQKSFJHWREY-UHFFFAOYSA-O 420.558 5.103 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccccc3c2O)N1 587830082 AYQQJGVALSRTSW-XUSGNXJCSA-N 400.291 5.245 10 1 HKCF CCCCN(Cc1ccccc1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34946700 XGQYNNAEFXRDTB-UHFFFAOYSA-N 421.381 5.511 10 1 HKCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccccc1Cl 169330588 LTLHIELTHZNYGC-QURGRASLSA-N 404.282 5.806 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(Br)ccc4Cl)[nH]c3c2)cc1 586980491 TUUHJGKDGRDHQN-UHFFFAOYSA-N 414.690 6.020 10 1 HKCF COc1cccc2[nH]cc(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c12 40846043 NFNXAXOGAUBUQD-UHFFFAOYSA-N 407.473 5.568 10 1 HKCF CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3cc(O)c(O)c(CC=C(C)C)c3oc21 43013668 RBMYHWVIWHGISG-UHFFFAOYSA-N 420.461 5.827 10 1 HKCF biogenic Fc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1Br 587078201 KOHFYPQSPKLFQC-PISHQANHSA-N 418.697 5.944 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3c2)cc1 587157740 FOPLPCCVGBRAQB-UHFFFAOYSA-N 423.447 6.223 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)[C@H]1CC=C[C@H]21 587272475 UIAMNSWNQQWCTM-DCGLDWPTSA-N 415.375 5.020 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCCC3)cc2)N1 587767230 QVKCRWVDEJENIU-QRQCRPRQSA-N 417.366 5.592 10 1 HKCF Cc1cc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1ccccc1F 587922927 ZFPXICAAWRJQMC-UHFFFAOYSA-N 407.470 5.856 10 1 HKCF Cc1c(C[C@@H](N)c2ccccc2)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1 1857538040 AOLGOUBHZYMHOC-GDLZYMKVSA-N 416.568 6.908 10 1 HKCF O=c1c2ccccc2[nH]c(=S)n1-c1ccc(/N=N/c2cccc3c(O)cccc23)cc1 5596890 QKXYBSZYTXCELV-CYYJNZCTSA-N 424.485 6.322 10 1 HKCF CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(CC=C(C)C)c(O)c1O 14727600 RWGZXUWGOARVDQ-UHFFFAOYSA-N 422.477 5.300 10 1 HKCF biogenic,in-vitro Cc1ccc([C@@H](NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 95596236 VQFJZXKRMYXTAJ-HHJKRLRDSA-N 402.538 5.631 10 1 HKCF CN(C)c1ccc(/N=N/c2ccc(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)cc2)cc1 95602128 WCRMZUNRWGJCNK-GENGHUQRSA-N 414.440 5.652 10 1 HKCF COc1ccc(OCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922600 RBKUIFCWQRRHDG-UHFFFAOYSA-N 408.498 5.944 10 1 HKCF CCN(CC)c1cccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)c1 53277625 MVXLFDNZIMWVFN-UHFFFAOYSA-N 405.929 6.640 10 1 HKCF Nc1ccc(Oc2ccc3nc(CCNc4ccc(Br)cc4)[nH]c3c2)cc1 586995793 OXVYFHUHQIMEGQ-UHFFFAOYSA-N 423.314 5.355 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)nc3[nH]1)[C@H]1CC=C[C@H]21 587277560 YKHPYJWWNGUMQW-AVYPCKFXSA-N 403.486 5.299 10 1 HKCF CC(C)=CCCC(C)=CCc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O 2356599215 RCYMAXCAVMNZBM-DEOSSOPVSA-N 408.494 5.745 10 1 HKCF Cn1c2c(c3ccccc31)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988042 WLNMAZJZKIMUHH-UHFFFAOYSA-N 402.453 5.409 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccccc4OCc4cscn4)[nH]c3c2)cc1 587029250 LVHVGOLJSCTING-UHFFFAOYSA-N 414.490 5.640 10 1 HKCF CC1CCC(NCc2ccc3c(CNC4CCC(C)CC4)c(O)ccc3c2O)CC1 3784957 CCCJIXYLHQTNQF-UHFFFAOYSA-N 410.602 5.588 10 1 HKCF O=[P@]1(Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)NCCCO1 28241492 FELLJVHKWWSNRR-GDLZYMKVSA-N 404.410 5.662 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(N)=O)c1 28822644 COGHGJVHYVMOSE-UHFFFAOYSA-N 416.908 5.784 10 1 HKCF Cc1ccnc(N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1 103262600 WTBOEJUBSJEKIB-FQEVSTJZSA-N 410.304 6.152 10 1 HKCF COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C(F)(F)F)c1 587098060 QKYHQNADZLFDPF-UHFFFAOYSA-N 422.362 5.033 10 1 HKCF C[C@H]1CC[C@]2(c3c1oc1c(Br)c(O)c(O)cc31)[C@H](C)CCCC2(C)C 66258544 PUQKUJIJCMJUNB-QLMNROTDSA-N 407.348 6.588 10 1 HKCF CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 95583634 JHLCXAWIXFCLOB-UHFFFAOYSA-N 420.984 6.271 10 1 HKCF COC(=O)C1=C(O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)N=C1C 103540500 UXHRUJUEWHYPII-PXNMLYILSA-N 405.281 5.201 10 1 HKCF CN(C)c1ccc(/C=C2/SC(Nc3ccc(Oc4ccccc4)cc3)=NC2=O)cc1 299861725 IRHFSQROHKCQMS-CJLVFECKSA-N 415.518 5.627 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)cc1 587003568 MLJHLRRIKIWSJY-UHFFFAOYSA-N 420.270 5.243 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 587272393 RWIHZLCEUDVYMJ-CRTZDJKQSA-N 415.280 5.913 10 1 HKCF CC(C)=CCc1c2c(cc3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc13)C=CC(C)(C)O2 14584382 NRGDUDNBWFMMIW-UHFFFAOYSA-N 420.461 5.270 10 1 HKCF biogenic Oc1[nH]c2ccc(I)cc2c1/N=N/c1cccc2cccnc12 15018332 OYNPIRDJMCQCDV-QURGRASLSA-N 414.206 5.442 10 1 HKCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCCC 82186378 SQZCALDWWDYZMG-UHFFFAOYSA-N 420.605 5.886 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)cc1 587196409 UUIDBLRVMLDQAZ-UHFFFAOYSA-N 410.403 6.125 10 1 HKCF C[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1C(F)(F)F 587097433 HMFZTPNYRWXFKS-GFCCVEGCSA-N 420.390 5.509 10 1 HKCF COc1ccc(OC)c(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587921970 FLRJSWMDATYZOC-UHFFFAOYSA-N 408.498 6.041 10 1 HKCF Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 45385758 UOIVGVJLRGHARL-UHFFFAOYSA-N 413.421 5.287 10 1 HKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccccc4C)c3F)cc12 1857617627 TUUAUXVQULWJPR-CYYJNZCTSA-N 422.395 5.221 10 1 HKCF CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 42990166 HTXVMYSFROUDJB-MRXNPFEDSA-N 422.477 5.207 10 1 HKCF biogenic COc1ccccc1[C@@H]1N=C(c2ccc(C)cc2)C[C@H](c2cc(Cl)ccc2O)N1 59524361 DIZUXWMTPQQXAR-ZJSXRUAMSA-N 406.913 5.585 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CO5)cc2)cc1 587195089 FYSPILZEJLLVEY-UHFFFAOYSA-N 412.453 5.042 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2F)N1 587724552 JFNLLZBUTGPYMY-ASSNKEHSSA-N 421.329 5.341 10 1 HKCF Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1-c1ccccc1F 587922875 YJHKWGXIAKSWCC-UHFFFAOYSA-N 419.550 6.557 10 1 HKCF COC(=O)c1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)c(Cl)cc1Br 587935632 DNYQJCCUWPZTGS-UHFFFAOYSA-N 424.722 5.143 10 1 HKCF C[C@@H](N[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1cccc2ccccc12 38239109 NTZPBYNFZRAXDS-AEFFLSMTSA-N 400.444 5.668 10 1 HKCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3OC3CC3)C2)cc1 96172901 ZCXRBHPHOUYDAK-QGZVFWFLSA-N 421.537 5.119 10 1 HKCF CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103869631 ZASIMEPNIWDVMR-HRFSGMKKSA-N 409.533 6.382 10 1 HKCF O=C(CCSc1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103962411 LEWDBDXLVNVQAH-QZQOTICOSA-N 404.289 5.429 10 1 HKCF CNc1cccc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c1 587233573 SSUWXVXVQQFZHL-UHFFFAOYSA-N 406.489 6.313 10 1 HKCF COc1ccc(Cl)c2c1CCN[C@]2(c1cc(C)ccc1O)c1ccccc1Cl 963258581 OWAOYXUOAHTLRH-QHCPKHFHSA-N 414.332 5.454 10 1 HKCF CN1c2ccc(Cl)cc2[C@@]2(C)c3cn(C)cc3-c3c([nH]c4ccc(Cl)cc34)[C@H]12 2356713000 VOENECZXFQZIKA-GOTSBHOMSA-N 408.332 6.291 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O 15120650 AMSGNHVRVKYLPO-CEMXSPGASA-N 424.493 5.451 10 1 HKCF in-vitro CCCNc1ccc(O)c(CNc2ccc(/C=C/c3cc(OC)cc(OC)c3)cc2)c1 96928153 DSKPLBOJKCKGMM-AATRIKPKSA-N 418.537 6.014 10 1 HKCF CCOC(=O)Cn1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516026 QJRMEJRSEVWHLN-HSZRJFAPSA-N 417.505 5.098 10 1 HKCF Cc1cc(-c2csc(-c3ccccc3OC(C)C)n2)c(C)n1-c1ccccc1F 587922231 LPUBEYLCPDOTLM-UHFFFAOYSA-N 406.526 6.811 10 1 HKCF [N-]=[N+]=NCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 587260258 ORGBIWVMFMJVMN-UHFFFAOYSA-N 401.106 5.501 10 1 HKCF Oc1ccc(-c2ccc(F)cc2)cc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962992628 HZZUCNCQCFTIGD-RUZDIDTESA-N 416.521 5.803 10 1 HKCF CCN1CCN(c2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)c(Cl)c2)CC1 963123952 PZLHAYZLHDYGJK-OAQYLSRUSA-N 424.803 5.024 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 64426693 ZBSOIMJHWBXZMM-LLQZFEROSA-N 417.594 5.796 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(CCC=C(C)C)C[C@@H]1C2=O 15268455 FGQZFAWOAMMXKN-WXTAPIANSA-N 424.537 5.805 10 1 HKCF endogenous,in-man Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)cc(Br)c2)s1 587941763 VNTJJWJNSRTKOZ-UHFFFAOYSA-N 424.747 5.947 10 1 HKCF CC(C)=CCCC(C)=CCc1cc(-c2coc3cc(O)ccc3c2=O)cc(O)c1O 2356504423 QQWDAOIRTNMMDB-UHFFFAOYSA-N 406.478 5.812 10 1 HKCF CCCCCCN(CCCCCC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 17161659 QEOUHOJWMJTMFX-OBGWFSINSA-N 414.637 8.372 10 1 HKCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549659 SICYGPRRYUPGKO-WIYYLYMNSA-N 407.813 5.213 10 1 HKCF CCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(CN3CCSCC3)c2C)cc1 40421197 LLFDZFMMLKWOHA-UHFFFAOYSA-N 411.014 6.217 10 1 HKCF CCN(CC)c1ccc(/N=N\c2ccc(-c3nc4ccc[n+](C)c4s3)cc2)cc1 102971689 BDHKIXZWUUJXQF-QPLCGJKRSA-N 402.547 6.049 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)cc1 587194920 CZMHCIXXCOCCCW-UHFFFAOYSA-N 413.378 6.268 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3OC)c1C)CC2=O 587468884 BPAMXHBXPQSVFS-XMMPIXPASA-N 405.494 5.467 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C)n(-c3cc(Cl)ccc3O)c2C)N1 962942660 BUVMCLJJWMLIHH-BXKMTCNYSA-N 419.956 5.948 10 1 HKCF CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cc(O)c(O)c(O)c1 40862381 DVIXYPQNQOMSPV-QCUNPITJSA-N 424.537 6.102 10 1 HKCF Cc1cccc(CCCCCCC/C=C\CCCCCc2cccc(O)c2O)c1O 238771715 NTPMHTSAXIGAQI-HYXAFXHYSA-N 410.598 7.354 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2Cl)N1 587696617 QCQGKQHAABXODX-FKIZINRSSA-N 423.757 5.465 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)ccc3ccccc23)N1 587833561 OKCGMNNEGNPFNZ-QKVFXAPYSA-N 400.291 5.245 10 1 HKCF Cc1c(CN2CCC[C@H](O)C2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 1857771526 PZWAJLAEXTUQGZ-VWLOTQADSA-N 406.545 5.672 10 1 HKCF CC(C)=CCC[C@@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356552596 VZJLYIVZEHIVNN-IVZQSRNASA-N 424.493 5.611 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 103971270 DWHVHGBFVDUYEP-OCOZRVBESA-N 400.225 5.495 10 1 HKCF CCCCCOc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260474 RYUBHFQOXGGFJX-UHFFFAOYSA-N 408.344 6.308 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2O)N1 587830642 FHGGDYRIUHNYMV-FPTDNZKUSA-N 412.302 5.120 10 1 HKCF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 1857764780 ZDNGSHREHIWLOB-HXUWFJFHSA-N 422.868 5.404 10 1 HKCF CCOc1cc(C/N=N/c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O 169688593 CCRFRVXIPBCTLO-ZBJSNUHESA-N 402.501 5.218 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587271768 IEQRXHUMOOTKHE-MMPTUQATSA-N 416.268 5.308 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(Cl)cc(Br)c1 587940704 NMIJFNMIQOUPCN-UHFFFAOYSA-N 410.720 5.639 10 1 HKCF CC[C@@H](C)NCc1ccc2n1-c1ccccc1S[C@@H]2C1=CCC(OC)(OC)C=C1 28758060 RDSFERWSZRAZLX-UZUQRXQVSA-N 410.583 5.388 10 1 HKCF Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2ccncc2c1 40973031 WIOACADMIOVUDW-UHFFFAOYSA-N 423.516 5.299 10 1 HKCF COc1cccc(CNCCCNc2ccnc3cc(CCC(C)C)ccc23)c1O 72122772 NSOQZPLDNHNJSZ-UHFFFAOYSA-N 407.558 5.129 10 1 HKCF CCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587794762 PZRXFXRMXKPXJS-FKIZINRSSA-N 408.311 5.096 10 1 HKCF O=C(OCCC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 5597093 PRCFXVMFLBVZKE-UHFFFAOYSA-N 421.537 5.473 10 3 HKCF Cc1ccc(N2CCc3c(-c4cc5cccnc5nc4C)cc(C)nc32)c(Cl)c1 45366004 WJGMNBRDHOEXGA-UHFFFAOYSA-N 400.913 5.965 10 1 HKCF O=c1c2ccccc2oc2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)cc12 64274755 HBEJRPLTTCIGHR-UHFFFAOYSA-N 412.397 5.103 10 1 HKCF CN(C)c1ccc([C@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1 103213539 TXAKSEVNRUBVMT-OAHLLOKOSA-N 424.136 5.017 10 1 HKCF COc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Cl 587196124 RDUUZNFHTQJJIK-UHFFFAOYSA-N 405.889 6.373 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587739145 GBWYUJJOVBKOCV-IRUKBTFNSA-N 417.366 5.723 10 1 HKCF Cc1cc(-c2csc(Cc3ncc(Cl)n3C)n2)c(C)n1-c1ccccc1F 587921883 DWMOJHYHQZPKNL-UHFFFAOYSA-N 400.910 5.334 10 1 HKCF CC(C)c1ccc(OC[C@]2(c3ccc(O)cc3O)NCCc3cccc(Cl)c32)cc1 963391670 WIZXPCCQJONQBJ-RUZDIDTESA-N 423.940 5.343 10 1 HKCF Cc1cc2c(cc1C)N[C@@H](c1c(O)ccc3ccccc13)[C@H]1C(=O)CC(C)(C)CC1=N2 1857533981 VGWOVTAJIJFJJF-FTJBHMTQSA-N 412.533 6.407 10 1 HKCF COc1ccc(-n2cnc3cc(NCc4ccc(Oc5ccccc5)cc4)ccc32)cc1 95584787 YGAREEBFOUZSFW-UHFFFAOYSA-N 421.500 6.439 10 1 HKCF CC(=O)c1cccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587511556 HSQHPRAUAJNECS-AREMUKBSSA-N 413.517 5.882 10 1 HKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587751979 PEYLZFKUPFKRHL-DMZKTXOQSA-N 413.334 5.619 10 1 HKCF Cc1ccc(C(C)C)cc1OCC(=O)N=Nc1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12 617960033 NDAGTLHKFMSZCN-UHFFFAOYSA-N 410.430 5.211 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576839 KUQASXBFEQZTQI-JYFHCDHNSA-N 411.457 5.503 10 1 HKCF Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCCc1ccc(F)cc1)C2 26475890 BEWIUPOAXFMUIY-UHFFFAOYSA-N 410.577 5.288 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 962957162 NTHOOKNUUBLMDN-SOKVYYICSA-N 424.500 5.181 10 1 HKCF COc1ccc(Cl)c2c1CCN[C@@]2(c1cc(C)ccc1O)c1ccccc1Cl 963258580 OWAOYXUOAHTLRH-HSZRJFAPSA-N 414.332 5.454 10 1 HKCF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 27200491 OWSSCWHJTMNJOI-CLJLJLNGSA-N 414.549 5.488 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(O)CC1 72178379 OUOCKOJWAFVZMI-JOCHJYFZSA-N 402.321 5.398 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587822525 OWLBVUQVKCIDSW-NSPYISDASA-N 420.322 5.027 10 1 HKCF CCCCc1ccc(-n2c(C)ccc2-c2ccc(SC)cc2)c(Br)c1 587937505 SGOOADLQPXBGKK-UHFFFAOYSA-N 414.412 7.280 10 1 HKCF CC(C)=CCCC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O 2356597742 TTXMLQXTLSWLTD-UHFFFAOYSA-N 422.477 5.518 10 1 HKCF CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13140419 XFGYWZZFLOUEQF-ODGPQVTHSA-N 412.599 5.103 10 1 HKCF O=C(O)c1cccc2c(-c3ccccc3F)c(-c3ccccc3Br)[nH]c12 587638258 VENHXNAJFIFIDB-UHFFFAOYSA-N 410.242 6.102 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763814 AAIGJZJEIYHIPP-OYHNWAKOSA-N 417.366 5.511 10 1 HKCF CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](C(C)C)N2)c1O 4729703 OKKJJNGNFXZNBY-RXVVDRJESA-N 417.347 5.059 10 1 HKCF CCC(C)(C)[C@@H]1CCc2sc3ncnc(/N=N/c4c(O)[nH]c5ccccc45)c3c2C1 100703031 PYJLQTSCWUASNR-XHPTWIIJSA-N 419.554 6.835 10 1 HKCF Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 103969439 FNGNBLBQSWDGEH-GHVJWSGMSA-N 416.275 5.251 10 1 HKCF Clc1cncc(Cl)c1/N=N/Cc1ccccc1-c1ccccc1Br 169719151 WNJUDXVNFWOTSI-WCWDXBQESA-N 421.125 7.102 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)cc1 587195180 GTWQNGNLNRQOHE-UHFFFAOYSA-N 411.843 6.643 10 1 HKCF Cc1ccc(CSCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 208400835 QMGMYJBSZVYNPE-UHFFFAOYSA-N 415.505 6.120 10 1 HKCF COc1cccc(-c2cc(CSc3ncc(C)s3)nc3c2oc2ccccc23)c1 587367198 UWUWHHGENQJRJB-UHFFFAOYSA-N 418.543 6.714 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(F)c(Br)cc1F 587943896 RXILMROGXFYCSQ-UHFFFAOYSA-N 406.226 5.202 10 1 HKCF CC1(C)CCc2c(c3c(c4c2O[C@H](c2ccc(O)c(O)c2)CC4=O)OC(C)(C)CC3)O1 15147565 JZNUJZPOJAHBOH-IBGZPJMESA-N 424.493 5.012 10 1 HKCF biogenic O=[N+]([O-])c1cc(-c2c(-c3ccccc3)cnn2-c2cccc(Cl)c2)cc(O)c1O 49113197 LUEKXVWCEQYGON-UHFFFAOYSA-N 407.813 5.179 10 1 HKCF CCCN(CCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741689 OLKNLBKWNAUJRG-NYHFZMIOSA-N 419.382 5.838 10 1 HKCF O=C(O)C[C@H]1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772639715 IQEBVFSBJVIFQB-GOSISDBHSA-N 408.325 5.796 10 1 HKCF CC(C)(C)c1cc(O)c(CN2CCCCC2)c2c1oc1c3ccccc3oc(=O)c12 1857612100 DNNFSWZOJZOGCI-UHFFFAOYSA-N 405.494 5.681 10 1 HKCF COc1ccc([C@H]2COc3c(ccc4c3C=C[C@](C)(CCC=C(C)C)O4)C2)c(O)c1O 14614051 GRHKVSQNMXZXME-DWXRJYCRSA-N 422.521 5.736 10 1 HKCF biogenic,in-vitro COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(CCC=C(C)C)C[C@H]1C2=O 15268453 FGQZFAWOAMMXKN-HFJWLAOPSA-N 424.537 5.805 10 1 HKCF endogenous,in-man CC1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587770254 RWYOLKYWTKTTPH-NYHFZMIOSA-N 417.366 5.448 10 1 HKCF COc1ccc(C[C@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 587926632 MKLYJJOBBUSSPK-HNNXBMFYSA-N 403.482 5.301 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4s3)cc2)cc1 29128457 CDSIRLGROIIBRD-ONEGZZNKSA-N 418.537 6.548 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)cc1 587195746 LWGXKVCLVSZSMN-UHFFFAOYSA-N 411.296 6.413 10 1 HKCF Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3cccc-3c2-c2ccccc2)cc1 68586914 KTNDZBQZIRNBBM-UHFFFAOYSA-N 424.525 5.867 10 1 HKCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Cl)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587271551 FJFPRIIAVKYBQZ-USBNGQNGSA-N 416.268 5.308 10 1 HKCF COc1ccccc1Oc1c(Cl)cccc1-n1c(C)cc2c1CC(C)(C)CC2=O 587940398 IUHIFQNPKQLYIS-UHFFFAOYSA-N 409.913 6.395 10 1 HKCF CC1(C)Cc2c(c3ccccc3c3nc4c(nc23)c2c(c3ccccc34)OC(C)(C)C2)O1 5963738 FEBDTUPXSQYUQP-UHFFFAOYSA-N 420.512 6.516 10 1 HKCF CSc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(C)cc2)cc1 64454377 ACCAWVKVVQTLRG-UHFFFAOYSA-N 408.636 6.032 10 1 HKCF CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 104023963 DMYVDSXGIXJPIJ-NSYGIPOTSA-N 415.562 6.443 10 1 HKCF C[C@@]1(c2ccc(C(F)(F)F)cc2O)NC2(CC2)Cc2ccc(Br)cc21 961321431 JQPYKLFOCWWDFZ-KRWDZBQOSA-N 412.249 5.115 10 1 HKCF CCN1/C(=C/c2sc3ccc(Br)cc3[n+]2CC)C=Cc2ccccc21 5128462 KXNYWKSRPDRTPG-UHFFFAOYSA-N 412.376 5.865 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccccc3)C2)ccc1O 28653266 CPNAKSWZISHMTQ-QFIPXVFZSA-N 401.535 5.557 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cccc(Cl)c3Cl)[nH]c21 587055709 WPJGVCXYQGNKGS-FLIBITNWSA-N 419.267 5.816 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587276805 NNURWZLBPSKLHX-PISHQANHSA-N 416.815 5.538 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765318 JIUHHXWPLXJHFU-SPLOXXLWSA-N 403.339 5.120 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 617960303 DWHVHGBFVDUYEP-UHFFFAOYSA-N 400.225 5.495 10 1 HKCF Nc1nn2c(-c3cccs3)cc(-c3cccs3)nc2c1/N=N/c1ccccc1 1772640961 LBOJBAVSLCZAEJ-WCWDXBQESA-N 402.508 6.184 10 1 HKCF Cc1c([C@@H]2CC(c3ccncc3)=NO2)c2ccccc2n1Cc1ccc(Cl)cc1 1857767178 NSNLIHHZBKOFEZ-QHCPKHFHSA-N 401.897 5.912 10 1 HKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1)CCC2(C)C 84688342 GXRHJEGKGAGDJH-GOSISDBHSA-N 414.457 5.604 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1cccc(Cl)c1 169351621 IVFSLINKSXTQEZ-HSZRJFAPSA-N 416.933 7.010 10 1 HKCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CSc2ccccc21 587501816 YSJOZYDBKMZCPU-RUZDIDTESA-N 402.515 5.859 10 1 HKCF COc1ccccc1Sc1cc(O)c([C@@H]2NCCc3c(C)ccnc32)c(Cl)c1 963073121 PETYSWUARRIGDF-QFIPXVFZSA-N 412.942 5.144 10 1 HKCF CC(C)c1ccccc1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 222942655 BCAYOYDFPYDVHR-UHFFFAOYSA-N 416.527 5.741 10 1 HKCF CC(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC(C)(C)C)cc2)cc1 95583888 MSVFBCVWOXUUBH-UHFFFAOYSA-N 413.565 6.938 10 1 HKCF CCn1c2c(c3cc(Cl)ccc31)CCN(c1nc3ccc(Cl)cc3s1)C2 1857587000 JBSDCBGQIPWXJR-UHFFFAOYSA-N 402.350 6.140 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2c(Cl)cccc12 29344107 LMCOQCYNFATLNY-UHFFFAOYSA-N 406.873 6.005 10 1 HKCF Cc1cc(C)cc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 222933410 KWEFMNYEJXKSPF-UHFFFAOYSA-N 402.500 5.235 10 1 HKCF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1 587514106 FMDYCHDOYVBNTI-HHHXNRCGSA-N 421.540 6.583 10 1 HKCF O=C(CCN1CCCC1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 13679552 KAKHZXYRJRTAFG-UHFFFAOYSA-N 410.521 5.556 10 1 HKCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 32291196 FIKWMZVLJVKJSU-HZPDHXFCSA-N 405.494 5.002 10 1 HKCF Cc1onc(-c2c(Cl)cccc2Cl)c1C/N=N/c1c(Cl)cncc1Cl 169719154 HHODSFNPWTYNAK-GHVJWSGMSA-N 416.095 6.943 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755690 PWMXEOOWWZKKJV-XMHCIUCPSA-N 413.334 5.619 10 1 HKCF Cc1c(CC(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 3814550 KKKZOKQDFWCLMP-UHFFFAOYSA-N 411.420 5.100 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc(O)c(O)cc1-c1cc(O)c(CC=C(C)C)c(O)c1 13403815 UXVUTAYGHIXRNS-VXLYETTFSA-N 422.565 6.920 10 1 HKCF CC[C@H](C)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28007314 XTSNNQCWHCMCJZ-INIZCTEOSA-N 411.977 6.693 10 1 HKCF CCC[C@@H](Oc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)C(=O)O 169322395 FAGAYYMLMSVJER-JOCHJYFZSA-N 400.478 6.072 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 169730131 IPLYWYKPTUZLAZ-SJOCPNOISA-N 421.434 5.798 10 1 HKCF C/C=C1/NNC(=O)C(c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)=C1CC 587921850 CFRHVAXGOUGFPM-NGYBGAFCSA-N 422.529 5.059 10 1 HKCF CCCC(=O)OC[C@H](C)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 1857585432 RXVAWCRJSSCUDZ-TWMKSMIVSA-N 420.546 5.563 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N4CCCC4)c3)c2c1 40395500 OHYNAELKRRHCLP-UHFFFAOYSA-N 403.913 6.394 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CC(F)(F)F)cc3)C2)cc1 96172989 RXWDHAHAECKYNJ-MRXNPFEDSA-N 421.459 5.368 10 1 HKCF COc1ccc(C(=O)N2N=C(c3cc(Cl)ccc3O)C[C@@H]2c2ccc(C)cc2)cc1 299838160 LSDJTXVUSCPPJT-JOCHJYFZSA-N 420.896 5.354 10 1 HKCF Cc1ccc(Cn2c(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 587390208 LIAMVQWTMOUVFI-RUZDIDTESA-N 410.517 5.904 10 1 HKCF CN1C(=O)C[C@@H]2CN[C@H](c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c3cccc1c32 963017561 CWHPTYCQTUJPEN-CMJOXMDJSA-N 406.570 5.130 10 1 HKCF Cc1cc(C)cc(-n2c(C)cc([C@H]3c4cccc(Br)c4CCN3C)c2C)c1 963269898 MHISQNFOPZIRKQ-XMMPIXPASA-N 423.398 6.051 10 1 HKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3C)c3cccc(C)c3nc2c1 26838534 HDFARHBLVBXYGH-UHFFFAOYSA-N 405.523 5.428 10 1 HKCF CCN1CCN(c2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c(Cl)c2)CC1 963123911 PZLHAYZLHDYGJK-NRFANRHFSA-N 424.803 5.024 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(OC)ccc3O)cc2)c(F)c1 1911573853 OPAFVYGOTKUQTG-OAHLLOKOSA-N 409.457 5.096 10 1 HKCF O=C1C[C@@H](c2ccccc2)Cc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O 299839860 TVWQJFUJHKJNOV-NRFANRHFSA-N 417.508 5.855 10 1 HKCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328354 JTIOTQUYULJCRJ-RBBKRZOGSA-N 423.831 5.749 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 587381573 GUBZWSAWIBBALW-OAQYLSRUSA-N 412.436 5.293 10 1 HKCF COc1ccc2c(c1)/C(=C\c1c(-c3ccc(C)cc3)nc3sc(C)cn13)C(=O)N2C 84730085 OBEQQONVONVKGX-XDHOZWIPSA-N 415.518 5.205 10 1 HKCF Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)C[C@@H]2C 142490156 SBRJLPKKZHHGCO-AWEZNQCLSA-N 416.916 5.129 10 1 HKCF in-vitro O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4nccs4)cc3)nc21 587023229 GAQAHSZUUCCZAB-UHFFFAOYSA-N 407.454 5.129 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)cc2O)N1 587819923 CCVYQNQPGAINCL-XMHCIUCPSA-N 412.302 5.584 10 1 HKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(O)c(-c2ccccc2)c1 587925059 FBHMZNXEQBEETO-UHFFFAOYSA-N 403.503 5.229 10 1 HKCF COc1cc2c(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c(Cl)[nH]c2cc1C 1864222 KSEYYHWPPBJGQK-DEDYPNTBSA-N 414.892 6.357 10 1 HKCF CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 27518453 ODNJTVUXNSNHFF-URPRIDOGSA-N 413.602 6.346 10 1 HKCF CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2cc3ccccc3cc21 13452961 JPZCKKITRYQVME-UHFFFAOYSA-N 422.596 6.447 10 1 HKCF COc1cc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc(OC)c1OC 103281061 JJNNOPDFWXYFNY-NRFANRHFSA-N 418.493 5.082 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncc(C)s1)(c1cccs1)O2 587415167 XZXCDVNHKCXCJC-IBGZPJMESA-N 402.566 5.057 10 1 HKCF Oc1cc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)cc(Br)c1O 1857568007 XKJMYTHWQZTILT-UHFFFAOYSA-N 424.250 5.975 10 1 HKCF O=C(O)Cc1c[nH]c2ccc(OCCCN3c4ccccc4Oc4ccccc43)cc12 95597905 URUQNMOZVANKSR-UHFFFAOYSA-N 414.461 5.508 10 1 HKCF Cc1c(O)cccc1CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1O 238753986 XYPNUVLQCJMRLN-VBFFHFTGSA-N 408.582 7.130 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O 587463554 VRBRUQZSEGDZDH-HSZRJFAPSA-N 409.913 6.112 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 587510528 AUGQRCRDGSMLIQ-XMMPIXPASA-N 415.489 5.378 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(Cl)c2Cl)N1 587698421 VHDZYGKIJOHVPX-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF CC[C@@H]1CCC[C@@]12CC(c1cc(O)c(O)c3c(O)cccc13)=Cc1cc(O)c(O)cc12 2356761577 PLJPZXRNBKWHMH-AKJBCIBTSA-N 418.489 5.760 10 1 HKCF O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@@H]21 13450202 MCIYJCSAOJOHTR-XZDHIHRUSA-N 411.457 5.111 10 1 HKCF CNc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2ccccc12 29336664 UINHLERHIUVLRV-UHFFFAOYSA-N 422.425 5.986 10 1 HKCF Cc1cc(-c2csc(Cc3nc4ccccc4[nH]3)n2)c(C)n1-c1ccccc1F 587922317 OHCOMRBLKGSJNA-UHFFFAOYSA-N 402.498 5.824 10 1 HKCF CCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(CC)(CC)C1=S 66123587 VDYSIYAXHXPDMX-UHFFFAOYSA-N 404.531 6.580 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)c(O)cc2c(C)c(-c3ccc(O)cc3O)oc12 2356656275 HGQFHBRDQMGDKQ-UHFFFAOYSA-N 408.494 6.466 10 1 HKCF Cc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2c1 587756945 SZZWHDQSFAKOAQ-XUSGNXJCSA-N 401.323 5.320 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587758965 ZECBMNGCJAYDFA-WHEQGISXSA-N 413.334 5.619 10 1 HKCF Clc1ccc(/N=N/c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)cc1 72176891 BZTUPSZYWLCOIE-OCOZRVBESA-N 410.702 7.666 10 1 HKCF Cc1nc(Br)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587011838 SBLRQQKEAMVSOR-UHFFFAOYSA-N 401.289 5.132 10 1 HKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N\c4ccccc4C)c3F)cc12 1857610926 TUUAUXVQULWJPR-RQZHXJHFSA-N 422.395 5.221 10 1 HKCF COCCc1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857634991 IWDCKKCWJAIAGV-UHFFFAOYSA-N 403.434 5.401 10 1 HKCF CCOc1cc(-n2c(C)ccc2-c2ccc(SC)cc2)c(Cl)cc1C(=O)O 587942123 VKWBTPFVSZFXEU-UHFFFAOYSA-N 401.915 5.925 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724517 IUMYVPNHHGKFEO-MPBGBICISA-N 409.318 5.197 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587765321 JIUHHXWPLXJHFU-SZNDQCEHSA-N 403.339 5.120 10 1 HKCF Nc1ccc(NC(=O)Nc2sc(-c3ccc(Cl)c(Cl)c3)cc2C(=O)O)cc1 1857619974 QQANVOIXXRXGHE-UHFFFAOYSA-N 422.293 5.646 10 1 HKCF CCc1c(-c2c(C)c3ccccc3n2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096574 DAJSANJCYZXTSC-UHFFFAOYSA-N 416.524 6.784 10 1 HKCF CC(C)N1CCCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587767497 RBGKNWJYLARGAM-PEBXRYMYSA-N 417.366 5.373 10 1 HKCF COc1cccc(CNCCCNc2ccnc3cc(-c4ccccc4)ccc23)c1O 72123541 YWGIORZKDUBAMW-UHFFFAOYSA-N 413.521 5.208 10 1 HKCF CC(C)(C)c1cc(O)c(CN2CCCCC2)c2c1oc1c3cc(O)ccc3oc(=O)c12 1857565194 KIWKZHBIZWKFSG-UHFFFAOYSA-N 421.493 5.387 10 1 HKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(C)c(C)c3nc2c1 26940408 FGFIKKROOSXNHE-UHFFFAOYSA-N 405.523 5.428 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576841 KUQASXBFEQZTQI-ZEQKJWHPSA-N 411.457 5.503 10 1 HKCF COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587757922 WDLVTEGRZBHHPF-FIKIJFGZSA-N 417.322 5.021 10 1 HKCF Oc1c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc(Br)c(F)c1F 962657186 AAFAEKVEFHALCM-HXUWFJFHSA-N 416.265 5.335 10 1 HKCF Cc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587757437 VOSBLDZPBPGDBI-QKVFXAPYSA-N 401.323 5.320 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2O)N1 587830645 FHGGDYRIUHNYMV-PEBXRYMYSA-N 412.302 5.120 10 1 HKCF CCOC(=O)[C@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924304 QOLAZKYIMWWDCC-CQSZACIVSA-N 400.569 5.606 10 1 HKCF O=C1C[C@H](c2ccccc2)Cc2c1c1c(n2Cc2ccccc2)-c2ccccc2C1=O 6581001 IYBGEDYTGXXMMX-HXUWFJFHSA-N 403.481 5.661 10 1 HKCF CCN1/C(=C/C=C2\CC[n+]3c2n(CC)c2cc4ccccc4cc23)Oc2ccccc21 13452984 MXTFAWQQCGBPDI-UHFFFAOYSA-N 408.525 5.649 10 1 HKCF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587171336 MTQWENIOMUMWPF-ZDUSSCGKSA-N 416.477 5.373 10 1 HKCF Cc1cc(-c2csc(C[C@@H](C)n3cc(Cl)cn3)n2)c(C)n1-c1ccccc1F 587921843 CBSXAFRLCZTXLE-CYBMUJFWSA-N 414.937 6.010 10 1 HKCF COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=S)Oc2ccc3ccccc3c21 103296284 SAUIQPVVLLPZLV-XMMPIXPASA-N 400.543 6.817 10 1 HKCF Cc1cc(I)cc2c1N[C@H](c1cccc(N)c1)[C@H]1CC=C[C@H]21 1772652944 INBIXBPYYMPJEB-TXPKVOOTSA-N 402.279 5.008 10 1 HKCF C(=C/c1cc(/C=C/c2ccc(N3CCCC3)cc2)ncn1)\c1ccc(N2CCCC2)cc1 95577059 NSCQQMZTVNMMPY-YDWXAUTNSA-N 422.576 6.018 10 1 HKCF COc1ncccc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924234 NNICUUMMXHVXPS-UHFFFAOYSA-N 407.564 6.010 10 1 HKCF COc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc(O)c(O)c1CC=C(C)C)CC2 14727506 VPRXRGLNLDGXIE-JOCHJYFZSA-N 424.537 5.896 10 1 HKCF biogenic CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c1oc1c3ccc(O)cc3oc(=O)c21 85996578 PBLWSVWYIYVLDE-VGOFMYFVSA-N 420.461 6.044 10 1 HKCF biogenic,in-vitro CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 104023956 DMYVDSXGIXJPIJ-CRICUBBOSA-N 415.562 6.443 10 1 HKCF O=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(Cl)cc1 205420283 SCXWYDLHRDLFBL-UHFFFAOYSA-N 423.965 5.239 10 1 HKCF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1O 299857156 CRHQTADSUPIPSY-UHFFFAOYSA-N 414.339 5.626 10 1 HKCF CC1CCN([C@H](c2ccccc2)c2c(O)ccc3cc(Br)ccc23)CC1 653708460 KFVQSVNWKFTNSI-HSZRJFAPSA-N 410.355 6.129 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730166 BEDZIMZXBXOCGI-SJOCPNOISA-N 411.870 6.753 10 1 HKCF CCNC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O 39194357 RIGZLRCTDCNYHL-UHFFFAOYSA-N 408.501 5.365 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cccc(F)c4)n3)c2C)c1 587924440 YPEYAXCHHALNLQ-UHFFFAOYSA-N 408.567 6.669 10 1 HKCF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 6022373 WWFVAIXZPACOBJ-OAQYLSRUSA-N 424.493 5.233 10 1 HKCF biogenic COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(Cl)ccc3O)cc2)c(F)c1 1911572861 YKFUFHQODMGBIW-CQSZACIVSA-N 413.876 5.740 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587720769 UAHCHMGGYFHJEB-YEJXKQKISA-N 421.329 5.260 10 1 HKCF CC(C)Oc1cc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(Cl)cc1Cl 587942803 ARQVENUGIYUSGS-UHFFFAOYSA-N 418.320 6.256 10 1 HKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(C)(C)C)c1O 28007017 PTLOABCMHAEXQX-UHFFFAOYSA-N 411.977 6.477 10 1 HKCF Cc1cccc(C)c1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 222943250 AUPJSCZSPNLNBN-UHFFFAOYSA-N 402.500 5.235 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2Cl)N1 587696619 QCQGKQHAABXODX-MPBGBICISA-N 423.757 5.465 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2O)N1 587712062 NJJAWASGTFIESX-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)ccc3ccccc23)N1 587833563 OKCGMNNEGNPFNZ-XUSGNXJCSA-N 400.291 5.245 10 1 HKCF COc1ccc(-c2ccc(C(=O)Nc3cccc(N(C)C)c3)c3occc23)c(C)c1 61925916 CXQMHDOREFGIAB-UHFFFAOYSA-N 400.478 5.735 10 3 HKCF Fc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1-n1cccn1 587078602 XDHXKBUXAHGMRS-QTCYRWPVSA-N 405.864 5.368 10 1 HKCF Cn1c2ccccc2c2ccc3c(c21)C(=O)c1ccc2c4ccccc4n(C)c2c1C3=O 5580114 YPAVHGKGVMQLLB-UHFFFAOYSA-N 414.464 5.752 10 1 HKCF CN(C)c1ccc(C(=C2c3ccccc3-c3ccccc32)c2ccc(N(C)C)cc2)cc1 36381178 HAMQVLXNIWQISM-UHFFFAOYSA-N 416.568 6.806 10 1 HKCF Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)NCCc2c1sc(C)c2C 963029116 QYQJYOPNQUNYCB-QHCPKHFHSA-N 422.554 5.833 10 1 HKCF CC(C)=CCCC(C)=CCc1cc2c(c(O)c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2 2356516659 FNWRLQHMHZHIHB-HXUWFJFHSA-N 422.521 5.473 10 1 HKCF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=S)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13741079 YPTNNZSEZSAFKA-YEMMFQQESA-N 403.632 5.109 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(OC)ccc12 29346902 FSJXVKXWNVPTRF-UHFFFAOYSA-N 402.454 5.360 10 1 HKCF CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2c1c(Br)cc1n[nH]cc12 587623483 TWEPXJSYZPQLET-UHFFFAOYSA-N 407.315 5.836 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CCc4ccccc4)n3)c2C)c1 587924359 UKOOIUOEESXYCF-UHFFFAOYSA-N 404.604 6.725 10 1 HKCF CCCCN(CCCC)CCCCCCNc1c2ccccc2nc2ccccc12 45303000 WRQHGHSIEJYGEU-UHFFFAOYSA-N 405.630 7.263 10 1 HKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2)c(Br)c1 587636631 AAVISRIBMDIHAQ-UHFFFAOYSA-N 422.278 5.971 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2O)N1 587714179 VQPOUIPEKPPUAP-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OC 587922023 GVSKBZHVEPEIPW-UHFFFAOYSA-N 422.525 6.431 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 653713173 QHCLRZWPMAADEB-RUZDIDTESA-N 400.547 5.519 10 1 HKCF Cc1c2c(cn1C)[C@@]1(C)c3cc(Cl)ccc3N(C)[C@@H]1c1[nH]c3ccc(Cl)cc3c1-2 2356712673 KAAWANRWHLWZFV-DNQXCXABSA-N 422.359 6.599 10 1 HKCF Clc1cc(Cl)c(/N=N/Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl 72179478 DEFGQGNTYXRDEC-UHFFFAOYSA-N 403.911 7.718 10 1 HKCF O=C(/C=C/c1ccc(F)cc1)NCCCCNc1c2ccccc2nc2ccccc12 95585804 BQKCFBLDRBYPQQ-DTQAZKPQSA-N 413.496 5.549 10 1 HKCF CCCCOc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1 95585813 YTRBYWWZMNOWSA-UHFFFAOYSA-N 413.565 6.940 10 1 HKCF Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1-c1ccccc1F 587921819 ATYWKQFMIRSUSY-UHFFFAOYSA-N 421.545 5.265 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N[C@H]2C 2356491880 RFPVCRMXYDYXBF-CABCVRRESA-N 407.510 5.142 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](N=[N+]=[N-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64510386 QGRPYAQMZHQIBN-UZVSRGJWSA-N 417.594 5.796 10 1 HKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1 103272220 XCNPWKUYGFAEDB-JOCHJYFZSA-N 404.962 7.462 10 1 HKCF Cc1nn(-c2ccccc2Cl)c(Cl)c1C/N=N/c1nc2ccccc2s1 169690008 INSGRHBGYWQIBH-XTQSDGFTSA-N 402.310 6.381 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3c2)cc1 587015377 BPWAYMUQMJWEII-UHFFFAOYSA-N 418.909 6.381 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(C)(C)C)c3[nH]1)[C@H]1CC=C[C@@H]21 587276984 PCFGWWJAZCQMJE-XFQAVAEZSA-N 402.498 5.904 10 1 HKCF CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587791855 IUIUIFLROMWKGL-YUNKPMOVSA-N 408.311 5.096 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)cc2O)N1 587823956 XUTQFIKIYVQLNN-DMZKTXOQSA-N 412.302 5.584 10 1 HKCF [N-]=[N+]=NCCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccccc2)cc1 299833469 YDQYIUVEAZIAGA-VHXPQNKSSA-N 410.481 7.035 10 1 HKCF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)(C)C 587204528 KFYYJDBYXZCENA-FQEVSTJZSA-N 424.545 5.419 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 587377854 ZOSVKZYRAJUUFV-OAQYLSRUSA-N 415.320 5.998 10 1 HKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587769146 XIOIYEDNGCZWGC-SPLOXXLWSA-N 403.339 5.120 10 1 HKCF CCN(Cc1ccccc1)c1ccc([C@@H]2NCCc3cnc4c(OC)cccc4c32)cc1 963041713 YDCJGDMAAQPCLB-MHZLTWQESA-N 423.560 5.505 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC(CCC=C(C)C)=CC[C@@H]1C2=O 15268469 YAHBSDIPFPMSAO-WXTAPIANSA-N 424.537 5.805 10 1 HKCF in-vitro CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)c(O)c1)CC3=O)CCC(C)(C)O2 59777206 LXBLJHYLZRJNSA-FQEVSTJZSA-N 424.493 5.122 10 1 HKCF biogenic CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@@]1(C)CCc2c(C)cc(O)c(O)c2O1 238789466 BTLRXKRGQQIJSD-JMJKFNNOSA-N 412.614 7.689 10 1 HKCF Cc1cc(-c2csc(C34CC5CC(CC(C5)C3)C4)n2)c(C)n1-c1ccccc1F 587922837 XOFDUACCYSPKPU-UHFFFAOYSA-N 406.570 6.825 10 1 HKCF O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccc(F)cc1 72177352 IDBXTEOAGAQZPK-UHFFFAOYSA-N 415.262 5.533 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Br)s2)[nH]n1 103962004 QQAHJRVUVLSKIS-QURGRASLSA-N 416.260 5.012 10 1 HKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 653846267 PPJIJKMPDAIHDP-UHFFFAOYSA-N 413.392 7.182 10 1 HKCF CC(C)=CCc1cc([C@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)cc(O)c1O 14727535 LCRYGWPAHFISLY-OAQYLSRUSA-N 424.493 5.233 10 1 HKCF biogenic Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(C(C)C)cc1 42888273 GJDHCTZOZOWONK-UHFFFAOYSA-N 408.586 6.264 10 1 HKCF Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)[nH]n2)cc1 103970359 XIRJGWZPBXFPTR-OCOZRVBESA-N 424.258 5.259 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O 238743651 RCYMAXCAVMNZBM-NRESZANFSA-N 408.494 5.745 10 1 HKCF Cc1cc(O)c([C@@]2(c3ccccc3Cl)NCCc3ccc(F)c(C)c32)cc1Cl 962373929 KIMSOOYIVLOLGE-HSZRJFAPSA-N 416.323 5.893 10 1 HKCF Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 1857558227 IVMZWMSQBJPXSS-UHFFFAOYSA-N 406.835 5.696 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c21 586899180 XRDJFYGDGFKBJU-UHFFFAOYSA-N 416.436 5.378 10 1 HKCF CCOc1ccccc1-c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587779843 GPKPXHUFUVDPDE-UHFFFAOYSA-N 421.500 6.670 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)ccc2O)N1 587822604 PREHCOKKPGNSOF-MCMMXHMISA-N 412.302 5.584 10 1 HKCF CN(C)c1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2C2CCCCC2)cc1 45259015 WJZVPELAHXDMEU-JLHYYAGUSA-N 423.988 5.919 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccccc1Cl 169351655 ZMZNMUSDQUZKMJ-QHCPKHFHSA-N 416.933 7.010 10 1 HKCF COc1cc(/C=C/c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)cc(OC)c1 96928146 QRCCZLDNODNXJG-ONEGZZNKSA-N 406.438 5.100 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc2ccccc2cc1O 103968875 HEUAQQUIERAOMT-GHVJWSGMSA-N 410.227 5.419 10 1 HKCF O=C(Cc1ccc(Br)c2ccccc12)/N=N/c1c(O)[nH]c2ccccc12 103977400 YSYHYRDKKUZSCN-WCWDXBQESA-N 408.255 5.642 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2F)N1 587726635 YPGITRAIISKGQR-LRTDBIEQSA-N 421.329 5.341 10 1 HKCF Cc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587755015 NTICIGDBHKSWRH-QKVFXAPYSA-N 401.323 5.320 10 1 HKCF CC(C)=CCCC1=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@H]2C1 15268444 BSQZWSGAKJSBOZ-CRICUBBOSA-N 410.510 5.502 10 1 HKCF endogenous,in-man CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12 31948116 WMNBBTZXLQOJOK-HNNXBMFYSA-N 404.385 6.617 10 1 HKCF COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1cc(O)c(O)c(CC=C(C)C)c1 72175829 MSCQYWSENVKIPX-UHFFFAOYSA-N 422.477 5.369 10 1 HKCF biogenic,in-vitro COc1cc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc(OC)c1 96273099 ARWNSSJFJLNQOG-AATRIKPKSA-N 404.510 5.258 10 1 HKCF Oc1ccc(/C=C/c2ccc3ccc(/C=C/c4ccc(O)c(O)c4)c(O)c3n2)cc1O 6525028 WXABIPOGPDIRGT-ZSSQTCEHSA-N 413.429 5.104 10 1 HKCF Cc1cnc(NS(=O)(=O)c2ccc(/N=N/c3cc4ccccc4cc3O)cc2)s1 13532988 IOYBPHQEXJWXQK-GHVJWSGMSA-N 424.507 5.527 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2O)N1 587694655 PVLITZZMLRONNL-NZFNHWASSA-N 405.094 5.224 10 1 HKCF Oc1c([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc(Br)c(F)c1F 962657181 AAFAEKVEFHALCM-FQEVSTJZSA-N 416.265 5.335 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 962957148 NTHOOKNUUBLMDN-CBZJRKILSA-N 424.500 5.181 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587739109 FNZXAGKQDUNGMB-QKKBWIMNSA-N 405.355 5.366 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587047795 NLXVWSFEZZOOQD-SGAXSIHGSA-N 406.829 5.669 10 1 HKCF Cc1cc(-c2csc(-c3ccc(OC(C)C)nc3)n2)c(C)n1-c1ccccc1F 587922029 GZOBMDYSPNSQGT-UHFFFAOYSA-N 407.514 6.206 10 1 HKCF FC(F)(F)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587078146 ITKZSBHHGWVMHJ-PISHQANHSA-N 424.253 6.715 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 587276247 JRHLYAJBMJSTIC-HOIFWPIMSA-N 402.498 5.904 10 1 HKCF Cc1cc(-c2csc(-c3c(Cl)cccc3Cl)n2)c(C)n1-c1ccccc1F 587921846 CCTIRTQCLJQJBW-UHFFFAOYSA-N 417.336 7.331 10 1 HKCF CCCSC(=S)c1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccccc2)c1O 1857773867 RPUCFABPPYDOTR-UHFFFAOYSA-N 422.497 6.082 10 1 HKCF C[C@H]1CC[C@@]2(c3c1oc1c(Br)c(O)c(O)cc31)[C@H](C)CCCC2(C)C 66258543 PUQKUJIJCMJUNB-DCVWQXJKSA-N 407.348 6.588 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C(N)=O)c4)n3)c2C)c1 587924143 HXUJSRSQNNPSOP-UHFFFAOYSA-N 419.575 5.705 10 1 HKCF CC(C)Oc1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Cl)cc1Cl 587943034 JEENBIDCEPYKAI-UHFFFAOYSA-N 424.349 6.317 10 1 HKCF Clc1ccc2nc(-c3ccc(N4CCOCC4)cc3)n(CC3CCCCC3)c2c1 73295875 NJRFDPRELYWIJF-UHFFFAOYSA-N 409.961 5.774 10 1 HKCF Cc1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)c(C)n1-c1ccccc1F 587922234 LRUOBJDLYBBJPK-UHFFFAOYSA-N 417.431 6.438 10 1 HKCF O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587500756 OCHOKZFNEFDMFD-RUZDIDTESA-N 420.892 5.539 10 1 HKCF COc1ccc(CCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c1 587928268 AFGGVRQQCZQXNA-UHFFFAOYSA-N 403.482 5.130 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C3=NC(C)(C)CO3)c2)s1 587936875 YHTXPWZIHQEPGQ-UHFFFAOYSA-N 408.523 5.087 10 1 HKCF Oc1ccc2oc(-c3cccc(Cl)c3)cc2c1CN1CCC(N2CCCCC2)CC1 169349584 BFAIWPBQNKXGSV-UHFFFAOYSA-N 424.972 5.909 10 1 HKCF COc1cc2c(cc1OC)[C@@H](c1cc(C)n(-c3cccc(C)c3)c1C)N(C)[C@@H](C)C2 962619608 FOEBUCYZIXLNMD-MRDQGFSESA-N 404.554 5.386 10 1 HKCF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(N(C)C)cc1 1857653687 MHXAZZVCYRVQQD-UHFFFAOYSA-N 417.597 5.474 10 1 HKCF CCCN(CC)CCCNc1c2ccc(OC)cc2nc2ccc(C(F)(F)F)cc12 40567725 BDDPOSJKVKIKGT-UHFFFAOYSA-N 419.491 5.949 10 1 HKCF CC(C)=CCC/C(C)=C\Cc1cc2c(c(O)c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2 238785826 FNWRLQHMHZHIHB-JFLJCTNNSA-N 422.521 5.473 10 1 HKCF Nc1ccc(Oc2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)cc1 587081656 SNBOZMKDSGJLGW-UHFFFAOYSA-N 406.873 5.191 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Cl)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587271552 FJFPRIIAVKYBQZ-UVWXRNBGSA-N 416.268 5.308 10 1 HKCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785319 LCBGZQPDNLKCHY-IHWYPQMZSA-N 418.293 5.191 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(Cl)c4)n3)c2C)c1 587924081 CRAFLCRKMJNXPL-UHFFFAOYSA-N 411.983 6.655 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(Cl)ccc3O)cc2)c(F)c1 1911572860 YKFUFHQODMGBIW-AWEZNQCLSA-N 413.876 5.740 10 1 HKCF COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151532 JOKJMQHCVVMSMH-RDXCRGQUSA-N 400.272 5.013 10 1 HKCF CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccc(O)c(O)c1)CC2=O 13339859 ZDWMRJGRDBAYIT-HXUWFJFHSA-N 422.477 5.203 10 1 HKCF biogenic CN(C)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C(F)(F)F)c1 962714784 SZAKZTGPPWIIHH-BTYIYWSLSA-N 424.507 5.364 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]12 59065202 FMJIKKXSIVRJGO-IPLFZHMSSA-N 410.510 5.358 10 1 HKCF in-man,metabolite CCCOc1ccc(C2CCN(c3ccc([C@H](C)NC(C)=O)cc3F)CC2)c(C)c1 207540069 OYRKMTAUBDYCIR-SFHVURJKSA-N 412.549 5.504 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)cc1 587270711 QVDZHQKGYWEOOP-UHFFFAOYSA-N 423.432 5.575 10 1 HKCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328352 JTIOTQUYULJCRJ-IFMALSPDSA-N 423.831 5.749 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCC3)cc2O)N1 587806935 BRCLDOAGFPAITN-XUSGNXJCSA-N 420.322 5.239 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)CCCC4)[C@@H]1CC=C[C@H]21 587275390 DARTZVZEUHWCJM-IXFSTUDKSA-N 400.482 5.485 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1ccccc1C(=O)C(=O)[C@H]2CC=C(C)C 963245125 ZOVHPKQCTRGXEG-BRBPODBZSA-N 401.550 5.325 10 1 HKCF c1ccc(/N=N\c2ccc(N3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1 1857617959 WEIPMDDBIUEQIH-KQTUVTPPSA-N 424.592 6.950 10 1 HKCF Cc1cccc(N[C@H](c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)n1 202332462 QSZFNQFVVDPJNS-OAQYLSRUSA-N 410.304 6.152 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)O2 587381802 LIZAGPPHTHYULN-LJQANCHMSA-N 400.400 5.109 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)cc2O)N1 587691586 GUFQJFWUFSBYSX-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587702287 PALXMRMXBSTZAH-QGHHPUGFSA-N 409.690 5.330 10 1 HKCF CC1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587766746 HLNYODGJMDBHAN-OYHNWAKOSA-N 417.366 5.448 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(F)c3C(F)(F)F)[nH]c21 587096729 BADYBJNFKCOYID-UHFFFAOYSA-N 410.326 5.163 10 1 HKCF CC(=O)OC1CCN([C@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)CC1 72180382 CUZCXVQLLQMWOO-XMMPIXPASA-N 409.913 5.316 10 1 HKCF COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)c3ccccc32)cc1 474609804 VLZYUARSTDNIGQ-DTZSXFQKSA-N 410.517 5.405 10 1 HKCF Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1cccc(S(C)(=O)=O)c1 28822618 URIVFCUMKNOLFX-UHFFFAOYSA-N 417.530 5.435 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(F)cc2nc2c(C)cccc12 29339823 FSPGZJHSMPHTCE-UHFFFAOYSA-N 404.445 5.799 10 1 HKCF Oc1c([C@H](Nc2ccc(F)cn2)c2c(F)c(F)cc(F)c2F)ccc2cccnc12 202336462 LFKSHSSIYOGROD-FQEVSTJZSA-N 417.337 5.232 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587720768 UAHCHMGGYFHJEB-LRTDBIEQSA-N 421.329 5.260 10 1 HKCF Cc1ccc(-c2cc3c(n2-c2cccc(Br)c2N)CC(C)(C)CC3=O)cc1 587937744 XKLXVNOTAOYCCH-UHFFFAOYSA-N 423.354 5.953 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc2c(c(O)c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2 238759946 FNWRLQHMHZHIHB-KDRVJRGFSA-N 422.521 5.473 10 1 HKCF CCOc1ccc(N2CCN3C[C@@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 28458658 NMMBTASSEMZGQZ-AHKZPQOWSA-N 412.577 5.570 10 1 HKCF Nc1ccc(N=Nc2ccc(-c3ccc(O)cc3)cc2)c2ccc(S(=O)(=O)O)cc12 263608480 TZXHCHLXKLYXEN-UHFFFAOYSA-N 419.462 5.457 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4F)c3)[nH]c21 587153664 XYDRKMVCASHKKH-UHFFFAOYSA-N 418.427 5.811 10 1 HKCF CN(C)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587922280 AOPOCILMSZRXOP-UHFFFAOYSA-N 413.521 6.831 10 1 HKCF CC(C)=CCC/C(C)=C/C[C@@]12O[C@]1(CC=C(C)C)C(=O)c1c(O)cc(O)cc1C2=O 38262457 HKGKESKEIDMUJE-QBQLRLMPSA-N 410.510 5.424 10 1 HKCF CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103869634 ZASIMEPNIWDVMR-CCLHPLFOSA-N 409.533 6.382 10 1 HKCF Oc1c([C@H](Nc2ccccc2)c2ccccc2)cc(Br)c2cccnc12 653798437 UIXGMYABTQOJEK-HXUWFJFHSA-N 405.295 5.904 10 1 HKCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1CC=C(C)C)O2 14727521 FUQPQXVDOSVYKA-NRFANRHFSA-N 424.493 5.233 10 1 HKCF CCN(CC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587574597 XPCSGZDJVQLOQK-RDGATRHJSA-N 403.478 5.250 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](c1ccc(Br)s1)N1CCCCC1 653711515 NHHAQDIOXLTKKK-HXUWFJFHSA-N 402.357 5.945 10 1 HKCF Oc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(-c3c[nH]c4ccccc34)c2)cc1O 1772638397 RNDDMCFGEOMODG-UHFFFAOYSA-N 417.468 6.456 10 1 HKCF COc1cccc(OCc2cc(C/N=N/c3ccc(C(=O)O)cc3)ccc2OC)c1 169691663 RRTWQQNPRNMZAD-OCOZRVBESA-N 406.438 5.265 10 1 HKCF CCCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764642 GLXMWUZYNGEWCD-FPTDNZKUSA-N 417.366 5.374 10 1 HKCF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587952703 VVZSPCVFUJCXSZ-MDOVXXIYSA-N 402.494 5.385 10 1 HKCF CC(C)CC(=O)OC[C@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@H]21 2356568567 MYXGWWKWFNXLQO-LQGLAIQGSA-N 416.558 5.461 10 1 HKCF CC(=O)N1c2ccc3ccccc3c2[C@H]2C=CC[C@H]2[C@@H]1c1ccc(Br)cc1 783518 QXFVAFMBSIXVEP-IMSXRSKXSA-N 418.334 6.370 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(Cl)cc2nc2c(C)cccc12 5161267 NEZCNKUYPBPFIM-UHFFFAOYSA-N 420.900 6.313 10 1 HKCF Cc1c(O)c(O)cc2c1C=C[C@]1(C)C2=CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C 38512886 NQQIOIHBDSUKND-AHRBEJICSA-N 420.593 6.654 10 1 HKCF Cc1cccc(CCCCCCCCCCCCCCc2cccc(O)c2O)c1O 238746552 SFHWFALTSUIMEZ-UHFFFAOYSA-N 412.614 7.578 10 1 HKCF Cc1ccc2c3c(c4c(nc13)-c1c(c3ccccc3n1C)CC4)-c1ccccc1C2=O 587097063 GZXWCTVDJKJYBG-UHFFFAOYSA-N 400.481 6.012 10 1 HKCF C/N=N\Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 169721767 BMMJQYKNYVZEQJ-WIPYWYRXSA-N 412.512 6.409 10 1 HKCF CC1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587770256 RWYOLKYWTKTTPH-QRQCRPRQSA-N 417.366 5.448 10 1 HKCF O=C1C[C@H](c2ccccc2)Cc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O 299839862 TVWQJFUJHKJNOV-OAQYLSRUSA-N 417.508 5.855 10 1 HKCF Cc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587757431 VOSBLDZPBPGDBI-GTJPDFRWSA-N 401.323 5.320 10 1 HKCF Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(F)cc2)N1 20763586 ULZCYVFJYFFIGI-XXBNENTESA-N 424.859 5.136 10 1 HKCF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C\C[C@@H]3C[C@@H](O)CC(=O)C3=O)CCC[C@@]21C 169718132 SWXRZYZEPGMKIW-FBMGSTBNSA-N 418.618 5.006 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576837 KUQASXBFEQZTQI-BVAGGSTKSA-N 411.457 5.503 10 1 HKCF Cc1sc2c(c1C)CCN[C@@H]2c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 963011307 PBUAWXDLGNHDKE-HXUWFJFHSA-N 402.510 5.609 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599052 YWUXXVODOXITDK-ZEQKJWHPSA-N 415.489 5.394 10 1 HKCF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1C 963113167 SDFZJCHDUYFLHH-KBMIEXCESA-N 418.512 5.130 10 1 HKCF CCC(=C[C@@H]1Sc2ccc(Cl)cc2N1C)C=C1Oc2ccc(Cl)cc2N1C 2356820346 FJYBCPSNTGIRRY-NRFANRHFSA-N 419.377 6.568 10 1 HKCF O=C(O)c1ccccc1/N=N/Cc1ccc(C/N=N/c2ccccc2C(=O)O)cc1 169718535 WRVDKGWPRKEKCM-OGGGYYITSA-N 402.410 5.651 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2O)N1 587830646 FHGGDYRIUHNYMV-RCDICMHDSA-N 412.302 5.120 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc(O)c(O)cc1-c1cc(O)c2c(c1)OC(C)(C)C=C2 13403819 CHRXOQYAWDYYSU-GIJQJNRQSA-N 420.549 6.890 10 1 HKCF CCCCNc1ccc(O)c([C@]2(C)c3ccsc3CCN2Cc2cccn2C)c1 962399468 QIYKXJBJRNQERP-DEOSSOPVSA-N 409.599 5.326 10 1 HKCF Cc1ccc(Cl)c(Nc2ccccc2/C=C2\SC(NC#N)=NC2=O)c1Cl 605475 NUMUKUFRCAUNBX-ZSOIEALJSA-N 403.294 5.086 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(COCc4ccccc4)n3)c2C)c1 587924455 ZELLFBNLSPBLDW-UHFFFAOYSA-N 420.603 6.656 10 1 HKCF Cc1[nH]cc2c1-c1c([nH]c3ccc(Cl)cc13)[C@@H]1N(C)c3ccc(Cl)cc3[C@]21C 2356713141 ZVEJGLKGBBJKBW-XZOQPEGZSA-N 408.332 6.589 10 1 HKCF CC[C@@H](C)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26663755 HQIMKBIUFZCDCY-OAHLLOKOSA-N 411.977 6.739 10 1 HKCF CCN(c1ccc(/N=N/c2snc3ccc([N+](=O)[O-])cc23)cc1)[C@@H](C)C(=O)OC 84403489 MYWIBKLVUGRBOE-ZKNCDPSRSA-N 413.459 5.008 10 1 HKCF CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(CC=C(C)C)C(=O)c1c(O)cc(O)cc1C2=O 38262455 HKGKESKEIDMUJE-BWDSRVSCSA-N 410.510 5.424 10 1 HKCF in-vitro CCCCc1cc(=O)oc2c3c(cc(C)c12)C(=O)c1cccc(OC(C)C)c1C3=O 473083647 OZOYFALNJXORGA-UHFFFAOYSA-N 404.462 5.007 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCCCCCCCCCO)[nH]c21 586894408 DCMPBEJJSXGOGU-UHFFFAOYSA-N 418.537 5.384 10 1 HKCF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587235392 KXCSGDOSEVHKMU-RTBURBONSA-N 422.529 5.488 10 1 HKCF CNc1cccc2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511494 LGWBGCSITVOHLG-MHZLTWQESA-N 409.485 5.061 10 1 HKCF O=C(O)[C@H]1CCCN(CCC=Cc2ccc(N=Nc3cccc4ccccc34)cc2)C1 1857630107 VEKOQBBJPGAFHP-QFIPXVFZSA-N 413.521 6.455 10 1 HKCF [N-]=[N+]=NC(COc1ccc(Cl)c(Cl)c1)COc1ccc(Cl)c(Cl)c1 2178320099 HFMTVRXPODQIRD-UHFFFAOYSA-N 407.084 6.437 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2ccccc2c1 587514405 XQVJPLBUZGIXFJ-NDEPHWFRSA-N 421.540 6.833 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(F)cc4)n3)c2C)c1 587924362 UPAFGKPDXVFDOO-UHFFFAOYSA-N 408.567 6.669 10 1 HKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(Cl)cc3Cl)c(C)c1C(=O)C2=O 1857643737 GOUIKDJPEVFBJI-UHFFFAOYSA-N 414.288 6.170 10 1 HKCF CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 5707026 JVTPNJZXKNTJEF-OVCLIPMQSA-N 406.478 5.253 10 1 HKCF biogenic,in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2O)N1 587692770 HVBYFCSQHSIEEV-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF CC(C)(C)c1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857745469 CZLLAUVUPXQDEY-UHFFFAOYSA-N 401.462 6.510 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC(F)C4)cc3)C2)cc1 96172990 PMGJTYIXPDTJCF-QHGAOEGBSA-N 411.517 5.164 10 1 HKCF COc1cc([C@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc(OC)c1OC 103281064 JJNNOPDFWXYFNY-OAQYLSRUSA-N 418.493 5.082 10 1 HKCF Cc1cc(-c2csc(-c3ccc(OC(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F 587921853 CJECADSWJFLCNW-UHFFFAOYSA-N 420.553 7.201 10 1 HKCF Cc1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078100 HOOPBQXJNHFVBS-QUJCMNEKSA-N 414.734 6.114 10 1 HKCF CCOc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587513817 UQMOYUUVFLTCMC-AREMUKBSSA-N 415.533 6.078 10 1 HKCF Cc1cc(-c2csc(-c3cc4ccccc4oc3=O)n2)c(C)n1-c1ccccc1F 587921885 FBDJKZRRJYREEY-UHFFFAOYSA-N 416.477 6.130 10 1 HKCF Cc1ccsc1[C@@H](NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O 653746729 YNQCLJVWTGPRRD-IBGZPJMESA-N 408.910 5.483 10 1 HKCF C[C@]1(c2ccc(Br)c(F)c2O)NCCc2c(Cl)cc(Cl)cc21 963121557 NLACJYMUXGTVDN-MRXNPFEDSA-N 405.094 5.010 10 1 HKCF NCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28640612 LPOLMPMAAUUGCL-UHFFFAOYSA-N 402.538 5.292 10 1 HKCF O=C(O)c1cc(-n2c(-c3ccc(Cl)c(Cl)c3)cc3c2CCCC3)ccc1O 39194369 CXFFFBOEDVCDJG-UHFFFAOYSA-N 402.277 5.734 10 1 HKCF Nc1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)cc1 587119237 RNKXRBXYOAJUSS-UHFFFAOYSA-N 413.403 5.078 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3c2)cc1 587242939 ZWYJRCDPWHHXSA-UHFFFAOYSA-N 408.461 6.054 10 1 HKCF COc1ccc(O)c(O)c1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356592743 JGFQHGDOQGIOND-UHFFFAOYSA-N 412.614 7.795 10 1 HKCF Cc1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@@](O)(C(F)(F)F)C2)cc1 28568196 QNPSRZTVXGKJAX-IBGZPJMESA-N 405.807 5.062 10 1 HKCF Cc1ccc(CSCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586970606 HLYDLJLTBFNNRA-UHFFFAOYSA-N 412.514 5.123 10 1 HKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587945867 RREOJTMDJYBKTK-UHFFFAOYSA-N 423.484 5.801 10 1 HKCF CCOc1cccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 219721751 GQKDTCPADRWPOK-UHFFFAOYSA-N 418.499 5.017 10 1 HKCF CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(OC)cc2)cc1 64447256 UTXXQSQODZAVQQ-UHFFFAOYSA-N 420.622 5.963 10 1 HKCF CC(C)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1 5761537 YCZAHJSVHOSXPX-GKVSMKOHSA-N 410.510 5.502 10 1 HKCF endogenous,in-man Oc1ccccc1CNCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95558267 DZCWPLOFGHBGEG-UHFFFAOYSA-N 409.961 5.455 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccc(N(CC)CC)cc1 963245148 ZXOFMHQOXLKOKB-IDISGSTGSA-N 422.613 5.688 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2O)N1 587694654 PVLITZZMLRONNL-MLXNANBUSA-N 405.094 5.224 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587764295 DDADOAZKSMVBAZ-QKKBWIMNSA-N 403.339 5.120 10 1 HKCF CCCc1cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)ccn1 587924345 SWGGFDBHFAJQJK-UHFFFAOYSA-N 419.619 6.954 10 1 HKCF Oc1c([C@H](Nc2ccccc2)c2ccccc2)cc(Br)c2ccccc12 653787735 OCSHEBWCPJBUQL-JOCHJYFZSA-N 404.307 6.509 10 1 HKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587576284 IJVHPTYBGIZSSH-JYFHCDHNSA-N 411.457 5.503 10 1 HKCF Cc1cc(-c2csc([C@@H](C)Cn3cc(Cl)cn3)n2)c(C)n1-c1ccccc1F 587922248 MDTIWWXWYTZSQO-ZDUSSCGKSA-N 414.937 6.010 10 1 HKCF Cc1cc(C)c([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(O)c1 961747110 GFVWEZGILSHGFL-HSZRJFAPSA-N 408.542 5.250 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(F)cc2nc2c(OC)cccc12 29334929 VCNAXTLREBAWPE-UHFFFAOYSA-N 420.444 5.499 10 1 HKCF CCc1ccc(-n2c(-c3ccc(OC)cc3)cc(CN3CCSCC3)c2C)cc1 64447255 FXQLOOHFGSODEB-UHFFFAOYSA-N 406.595 5.573 10 1 HKCF Cc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)(C)C[C@]21NCCc2ccc(O)cc21 963329648 QETRBJXLSBCYOW-MUUNZHRXSA-N 414.593 5.976 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCC2CCCCC2)n1-c1cccc(C(=O)O)c1 40763084 KUHSQHDGECNSNG-UHFFFAOYSA-N 423.940 6.763 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cccc(Cl)c3Cl)[nH]c21 587055707 WPJGVCXYQGNKGS-DHZHZOJOSA-N 419.267 5.816 10 1 HKCF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587574598 XPCSGZDJVQLOQK-WIOPSUGQSA-N 403.478 5.250 10 1 HKCF CCn1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587754714 MFHSGTLZKNVNNC-LAJNKCICSA-N 401.323 5.495 10 1 HKCF CCN(CC)c1ccc([C@@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)cc1 257136683 HGNUXCZTXYRJAG-WYMJOSIYSA-N 414.597 5.480 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2)N1 587765566 KBLLMNDOUFFCHI-SPLOXXLWSA-N 403.339 5.202 10 1 HKCF CC(C)CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]12 165254318 MYXGWWKWFNXLQO-OWAUWMPXSA-N 416.558 5.461 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc(O)ccc3c2=O)cc(O)c1O 238761361 QQWDAOIRTNMMDB-FRKPEAEDSA-N 406.478 5.812 10 1 HKCF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-n3c(C)cc(C=O)c3C)c1)CC2=O 587472120 YOBMXUMRXWEJRI-AREMUKBSSA-N 417.505 5.445 10 1 HKCF Cc1cc(-c2csc(-c3cccc(C(N)=S)c3)n2)c(C)n1-c1ccccc1F 587921886 FCUZTLYWMDIVEY-UHFFFAOYSA-N 407.539 5.658 10 1 HKCF Cc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 617960142 FNGNBLBQSWDGEH-UHFFFAOYSA-N 416.275 5.251 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(-c3cc(Cl)ccc3O)c2C)N1 962942699 BUVMCLJJWMLIHH-OSPHWJPCSA-N 419.956 5.948 10 1 HKCF COc1ccc2[nH]c(Cl)c(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2c1 1864216 AZMNBIRHCBFPMU-XSFVSMFZSA-N 400.865 6.049 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2)N1 587765564 KBLLMNDOUFFCHI-LHSJRXKWSA-N 403.339 5.202 10 1 HKCF Cc1cc(-c2csc(Cc3nc4ccccc4n3C)n2)c(C)n1-c1ccccc1F 587922070 JEOJCWVEVRHFGI-UHFFFAOYSA-N 416.525 5.834 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2)cc1 587196118 QXYNFXCCJMYWSI-UHFFFAOYSA-N 410.481 5.596 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O 587460874 JDSVCLOHZPZFJP-QHCPKHFHSA-N 409.913 6.112 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc2ccccc12 587510610 BQZAQIXDKJZAEF-NDEPHWFRSA-N 421.540 6.833 10 1 HKCF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1 587514113 FMDYCHDOYVBNTI-MHZLTWQESA-N 421.540 6.583 10 1 HKCF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587952705 VVZSPCVFUJCXSZ-SXGZJXTBSA-N 402.494 5.385 10 1 HKCF COc1cc2c(cc1OC)[C@H](c1cc(C)n(-c3cccc(C)c3)c1C)N(C)[C@H](C)C2 962619628 FOEBUCYZIXLNMD-QUGAMOGWSA-N 404.554 5.386 10 1 HKCF Oc1cc2c3c(c1O)CC[C@H]1CCC[C@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356362753 DSHMSNCQXQWAFC-PVPMGCCUSA-N 416.473 5.296 10 1 HKCF Cc1cc2c(n1-c1ccc(C(N)=O)c(Sc3ccccc3)c1)CC(C)(C)CC2=O 36741097 DVUINZRUWOZHPF-UHFFFAOYSA-N 404.535 5.191 10 1 HKCF CCCN(CCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741685 OLKNLBKWNAUJRG-IVZQSRNASA-N 419.382 5.838 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)ccc3ccccc23)N1 587832964 LLCWCLAVHKQOHF-QKVFXAPYSA-N 400.291 5.245 10 1 HKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1ccco1)C[C@@H]2c1cccc(Cl)c1 27109783 MIRCXZRWJPSBPS-GOSISDBHSA-N 404.293 5.188 10 1 HKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(Cl)cc3)csc1-2 45285267 IDPGTWTXKSHXSU-UHFFFAOYSA-N 409.894 5.690 10 1 HKCF Cc1cnc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378102 ULRFZUUMAUYJIL-GHTZIAJQSA-N 415.511 5.206 10 1 HKCF Oc1c(CN2CCCC2)cc(Cn2ccc3cc(F)c(Cl)cc32)c2cccnc12 1857755025 GLQJBQYGRMKQBC-UHFFFAOYSA-N 409.892 5.332 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)cc1 587115871 CTSFBRJSKKCBBN-UHFFFAOYSA-N 421.382 5.566 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccccc3)ccc2O)N1 587822605 PREHCOKKPGNSOF-WHEQGISXSA-N 412.302 5.584 10 1 HKCF Oc1ccc(/C=C/c2c(CCc3ccccc3)c(O)c(O)c3c(O)cccc23)cc1O 85569225 DVAQPIIMGYQFIW-ZRDIBKRKSA-N 414.457 5.323 10 1 HKCF biogenic,in-vitro COc1ccc(C)cc1NCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587228638 FCLKUEBBNOBMTC-UHFFFAOYSA-N 402.498 5.299 10 1 HKCF Cc1cc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C)n1-c1ccccc1F 587921838 BXCRJPDDWZAWSQ-UHFFFAOYSA-N 416.443 7.043 10 1 HKCF Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(N3CCCCC3)cc2)c2cc(O)ccc21 27436568 GHEPLQYQFHPFJZ-NDEPHWFRSA-N 409.529 5.766 10 1 HKCF Cc1nc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1Br 587077957 DBGYDAWPFQYQHF-JKDFXYPNSA-N 415.722 5.509 10 1 HKCF CN1c2ccc(Cl)cc2[C@]2(C)c3cn(C)cc3-c3c([nH]c4ccc(Cl)cc34)[C@H]12 2356713001 VOENECZXFQZIKA-XZOQPEGZSA-N 408.332 6.291 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2O)N1 587714178 VQPOUIPEKPPUAP-HUTHGQBESA-N 418.228 5.110 10 1 HKCF CCCN1CCCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764646 GLXMWUZYNGEWCD-RCDICMHDSA-N 417.366 5.374 10 1 HKCF NC(=O)CCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5422236 XOARXPGHOZIQBS-UHFFFAOYSA-N 411.549 6.500 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963099615 APNOCKKFHHHEJH-GJZUVCINSA-N 402.513 5.330 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N[C@@H]2C 2356491883 RFPVCRMXYDYXBF-LSDHHAIUSA-N 407.510 5.142 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@@H]2C 95486165 KTLBUSLEVHZILI-JKSUJKDBSA-N 421.537 5.484 10 1 HKCF biogenic,in-vitro Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587066327 LBSSZNLAXXZCRR-UHFFFAOYSA-N 414.896 6.357 10 1 HKCF Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076693 ZJWISZVJYGKCTC-UHFFFAOYSA-N 415.884 5.752 10 1 HKCF [N-]=[N+]=NC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549656 SICYGPRRYUPGKO-GHTZIAJQSA-N 407.813 5.213 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2O)(c2ccccc2Cl)N1 962942869 CQSJQWTTXANFFM-QUGAMOGWSA-N 416.952 6.052 10 1 HKCF Oc1cc2c(cc1O)CN(CC[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 13530676 SIFLOGBFKDRMCW-XMMPIXPASA-N 409.913 5.320 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(Cl)c2Cl)N1 587698415 VHDZYGKIJOHVPX-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF COc1cc2c(c(O)c1-c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)N[C@H](C)C2 1857595418 FNJPQOUTGROBNV-HUUCEWRRSA-N 407.510 5.142 10 1 HKCF COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@@H]1N2CC=C(C)C 40836060 KEWZWBIFZYMPPG-VSGBNLITSA-N 416.609 6.308 10 1 HKCF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(OC)c3c(O)cc(C)cc13)[C@@H](C)C2 2356867484 WSFDLISXQFZWRH-JKSUJKDBSA-N 407.510 5.392 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)cc1 587133584 UTHRULXHEMLODY-UHFFFAOYSA-N 416.239 5.614 10 1 HKCF Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)c1ccccc1C3=O 5581667 ZAHWAIQMWRFGBG-UHFFFAOYSA-N 414.464 5.752 10 1 HKCF Cc1cc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1[N+](=O)[O-] 587194750 AOMFOCPYEUAFJI-UHFFFAOYSA-N 400.442 5.928 10 1 HKCF CCN(CC)c1ccc(N=Nc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587369480 IXAFDCHVPBHUKI-UHFFFAOYSA-N 414.469 5.365 10 1 HKCF COc1cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C 14727627 ZKLPJPFTGPFGBI-UHFFFAOYSA-N 410.466 5.089 10 1 HKCF biogenic,in-vitro Cc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)(C)C[C@@]21NCCc2ccc(O)cc21 963329649 QETRBJXLSBCYOW-NDEPHWFRSA-N 414.593 5.976 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)cc1 587120405 HTASLQAWJWIWFW-UHFFFAOYSA-N 409.371 5.500 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)cc2O)N1 587691588 GUFQJFWUFSBYSX-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722383 YOCMUUIIJKGSAQ-LRTDBIEQSA-N 421.329 5.260 10 1 HKCF Oc1c(F)cc(Cl)cc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962642144 UOWGJAYQISZGOO-AUSIDOKSSA-N 408.904 5.021 10 1 HKCF CC1=C[C@H](CNCc2ccccc2O)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356316444 KQRYMPYFRPEGEB-ZRBLBEILSA-N 417.597 5.764 10 1 HKCF CC(C)CCOc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260677 YWDDIJNWIJNVFI-UHFFFAOYSA-N 408.344 6.164 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC3CCCC3)cc2O)N1 587806933 BRCLDOAGFPAITN-LAJNKCICSA-N 420.322 5.239 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1 35984097 CTWMOHWXXKFQHS-UHFFFAOYSA-N 417.892 6.383 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccc(C)cc4)c4ccccc14)[C@@H](C2)C3=O 587431442 OSUMRXMBIOLVJW-RBISFHTESA-N 423.512 5.804 10 1 HKCF COc1cccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1OC 587922523 PPUSMRRDRNJZJU-UHFFFAOYSA-N 408.498 6.041 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 118921350 WOCGCFDQIKJPEL-WFVDQZAMSA-N 401.595 6.825 10 1 HKCF COC(=O)c1cc(Cl)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078171 JSTMVOVOZDNCLX-JCGVRSQUSA-N 414.292 5.483 10 1 HKCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356552598 VZJLYIVZEHIVNN-OYHNWAKOSA-N 424.493 5.611 10 1 HKCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N(C)[C@@H]3C)c2cc(C)cc(OC)c12 2356723936 XPNIPHCKKGOJOU-HUUCEWRRSA-N 407.510 5.181 10 1 HKCF Cc1cc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)c(C)n1-c1ccccc1F 587922874 YGMXYVJWISKKBD-UHFFFAOYSA-N 417.431 6.438 10 1 HKCF COc1cccc(-c2cc3c(CN4CCC(N5CCCCC5)CC4)c(O)ccc3o2)c1 169349592 LKEBUBSBLBQBEN-UHFFFAOYSA-N 420.553 5.264 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2F)N1 587724554 JFNLLZBUTGPYMY-YEJXKQKISA-N 421.329 5.341 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2)N1 587766522 NSHAPQOUKYIKBN-QKKBWIMNSA-N 403.339 5.202 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccccc3c2O)N1 587832648 KHIRUEHANGSPNN-QKVFXAPYSA-N 400.291 5.245 10 1 HKCF COC(=O)c1cccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922546 PYNWLYVPRSLLHB-UHFFFAOYSA-N 406.482 5.810 10 1 HKCF O=C(O)C[C@@H]1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772639716 IQEBVFSBJVIFQB-SFHVURJKSA-N 408.325 5.796 10 1 HKCF CCN(CC)[C@@H](c1ccc(N(C)C)cc1)[C@H](c1ccc(N(C)C)cc1)N(CC)CC 19365293 DMVSUWFLIQJFBW-UIOOFZCWSA-N 410.650 5.285 10 1 HKCF CC[C@H](C)Oc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(OC)c1 96172871 LZQWLAVMNVTXJZ-MJGOQNOKSA-N 411.542 5.223 10 1 HKCF Cc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1C(F)(F)F 587095321 DEVOBDQDLMZYTF-UHFFFAOYSA-N 420.390 5.256 10 1 HKCF Cc1cnc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378103 ULRFZUUMAUYJIL-NQIIRXRSSA-N 415.511 5.206 10 1 HKCF COc1cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)ccn1 587924417 XPRDUKAFXYNNHO-UHFFFAOYSA-N 407.564 6.010 10 1 HKCF CCOC(=O)c1c(Nc2ccc(Cl)cc2)sc(/C=C2\C=Nc3ccccc32)c1O 8828451 WNYYQQFHISVSTQ-ACCUITESSA-N 424.909 6.284 10 1 HKCF Cc1cc([C@H]2NCC(C)(C)c3ccc4c(c32)OCO4)c(C)n1-c1ccccc1Cl 963390033 DVTBSRWRVXJNPK-JOCHJYFZSA-N 408.929 5.446 10 1 HKCF COC(=O)c1cc(Br)c2c(-c3ccccc3)nn(C)c(-c3ccccc3)c1-2 68586903 LRGSHAZIUCPJOH-UHFFFAOYSA-N 421.294 5.408 10 1 HKCF biogenic CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C)cc(O)c(O)c2O1 2356402221 BTLRXKRGQQIJSD-MHZLTWQESA-N 412.614 7.689 10 1 HKCF CC/C=C\C/C=C\C/C=C/C/C=C\CCCCC(=O)NCCc1ccc(O)c(O)c1 169372509 CIAVLFRUWVPAIL-KMDMWTCTSA-N 411.586 6.122 10 1 HKCF COc1cc2c(c(O)c1C/C=C(/C)CCC=C(C)C)CN(CCc1ccccc1)C2=O 169381677 AYUFSIRZXDWSDR-MOSHPQCFSA-N 419.565 5.835 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc5ccccc5c4)c1C)[C@@H](C2)C3=O 587430864 KWCYKARTUHZMPJ-WNCULLNHSA-N 409.485 5.745 10 1 HKCF Cc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2c1 587755003 NOSBIKUUUNGVRL-QKVFXAPYSA-N 401.323 5.320 10 1 HKCF CCCCCc1cccc(CCc2c(C=Cc3ccc(O)c(O)c3)ccc(O)c2O)c1 2356416122 JOYNBGDNNSXQFO-UHFFFAOYSA-N 418.533 6.197 10 1 HKCF Cc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)o2)cc1 71295965 XVQJFVHBYCQBFT-JOCHJYFZSA-N 423.472 5.347 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 587505142 YLUHWRIXTAMEMS-DEOSSOPVSA-N 405.925 6.333 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2O)N1 587709450 AAWHYTFKZDUDED-XYZCENFISA-N 418.228 5.110 10 1 HKCF Cc1cc2c(n1-c1c(Br)cccc1-c1cnn(C)c1)CC(C)(C)CC2=O 587934960 KTGLMUHETHWRNH-UHFFFAOYSA-N 412.331 5.104 10 1 HKCF O=C(O)[C@@H]1CCCN(CCC=Cc2ccc(N=Nc3cccc4ccccc34)cc2)C1 1857630106 VEKOQBBJPGAFHP-JOCHJYFZSA-N 413.521 6.455 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)cc1 587017181 HPWWDZDGIJKNPT-UHFFFAOYSA-N 419.897 5.776 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c3ccccc23)N1 587755166 NFLBMQVYYAVSAZ-MCMMXHMISA-N 413.334 5.431 10 1 HKCF CCCOc1ccccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922156 KQGVLYAPYWFFAL-UHFFFAOYSA-N 406.526 6.813 10 1 HKCF Cc1cc(I)cc2c1N[C@H](c1cccc(N)c1)[C@H]1CC=C[C@@H]21 1772652943 INBIXBPYYMPJEB-JTDSTZFVSA-N 402.279 5.008 10 1 HKCF O=C(O)[C@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccccc2)C1 1857755342 RKXQWCFMGCCPSP-NRFANRHFSA-N 411.501 5.458 10 1 HKCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 103262352 JVXHYYJXPFWQII-UHFFFAOYSA-N 404.554 5.180 10 1 HKCF C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c(ccc3ccccc32)oc1=O 169688875 HFFGKDLYRIXJON-GHPOMHATSA-N 418.365 5.608 10 1 HKCF CSc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 222944221 HRJOSMNMXCKKKY-UHFFFAOYSA-N 420.540 5.340 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 587272395 RWIHZLCEUDVYMJ-ZKTNFTSUSA-N 415.280 5.913 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1Cl 587501392 AOVLTZIVBPWXBH-DEOSSOPVSA-N 405.925 6.333 10 1 HKCF CCCN(C)/C(=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C)c1ccc(Cl)cc1 42965532 JETCFXJBGDXPEB-VXPUYCOJSA-N 402.325 5.469 10 1 HKCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1 103278192 BKKIAVKYDURMCC-WCWDXBQESA-N 404.451 5.157 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)O2 587403720 KWVQJGYTYSXRKU-DNRSQYFGSA-N 421.537 5.337 10 1 HKCF O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c12 587637565 CUJCSLYOVOYBMH-UHFFFAOYSA-N 416.691 7.160 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587763813 AAIGJZJEIYHIPP-NYHFZMIOSA-N 417.366 5.511 10 1 HKCF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1cc(Br)ccc1O)NCC2 962087279 DFWQLKMGJNHWNK-QFIPXVFZSA-N 412.302 5.040 10 1 HKCF O=C(O)c1ccc(/C=C/c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 28004177 UCRQPDAQSWVFCL-MDZDMXLPSA-N 416.480 7.000 10 1 HKCF COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587757930 WDLVTEGRZBHHPF-WSVYEEACSA-N 417.322 5.021 10 1 HKCF COc1ccc2c(c1OC)[C@@H](c1cc(-c3ccccc3)cc(Cl)c1O)N(C)[C@H](C)C2 962635468 RQCYGRVRGXUYME-IQMFZBJNSA-N 423.940 5.696 10 1 HKCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c(C(F)(F)F)c2)cc1 103279567 ISBRQZZVZNNMKS-WCWDXBQESA-N 422.388 5.022 10 1 HKCF CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 104023975 DMYVDSXGIXJPIJ-GKVSMKOHSA-N 415.562 6.443 10 1 HKCF CCCc1sc(/N=N/Cc2ccccn2)nc1-c1ccc(Br)cc1 169689420 YHKPGTUWOOMUDQ-XTQSDGFTSA-N 401.333 6.204 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(C)(C)C)c3[nH]1)[C@H]1CC=C[C@H]21 587276982 PCFGWWJAZCQMJE-QYWGDWMGSA-N 402.498 5.904 10 1 HKCF Cc1cccc(/N=N/c2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)c1 5542001 WETDNQDXTINCGC-OCOZRVBESA-N 409.877 5.546 10 1 HKCF CC[C@@H](C)NCc1ccc2n1-c1ccccc1S[C@H]2C1=CCC(OC)(OC)C=C1 28758064 RDSFERWSZRAZLX-HXOBKFHXSA-N 410.583 5.388 10 1 HKCF CCCOc1ccc2c(c1)N(CC)/C(=C/C=C/c1sc3ccccc3[n+]1CC)S2 473097034 CSKMSCDBGLJBTP-UHFFFAOYSA-N 423.627 6.484 10 1 HKCF CCCCn1c(O)c(/N=N\C(=O)c2ccncc2)c2cc(Br)ccc21 102677784 PPSOMQIBMCUAKB-DQRAZIAOSA-N 401.264 5.229 10 1 HKCF COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1O 104702950 BOCAUQNSFOMURO-FATZIPQQSA-N 418.518 6.091 10 1 HKCF Cc1cc([C@H]2NCCc3nc4ccccn4c32)c(C)n1-c1cc(Cl)ccc1Cl 962985590 FZDPEHJEHMUHTA-OAQYLSRUSA-N 411.336 5.284 10 1 HKCF COc1cccc([C@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]23)c1OC 12628245 BOKUEZDPRWVPMX-VFVRVIDISA-N 404.279 5.432 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 587277336 TZNVGTXYYPGKKW-HOIFWPIMSA-N 404.470 5.393 10 1 HKCF CCCN1CCCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587764957 HPUYTFFTOAEUHD-RCDICMHDSA-N 417.366 5.374 10 1 HKCF CCn1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587754712 MFHSGTLZKNVNNC-GTJPDFRWSA-N 401.323 5.495 10 1 HKCF Cc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587755016 NTICIGDBHKSWRH-XUSGNXJCSA-N 401.323 5.320 10 1 HKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587751980 PEYLZFKUPFKRHL-MCMMXHMISA-N 413.334 5.619 10 1 HKCF CSc1ccc(-c2ccc(C)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)cc1 587938472 YLWUENKRZABRDE-UHFFFAOYSA-N 400.503 5.935 10 1 HKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)C1 29045649 ZSALNCBCUVGPNE-FQEVSTJZSA-N 407.926 5.594 10 1 HKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)cc(O)c(O)c2O1 64436989 BTLRXKRGQQIJSD-MGDSGQFNSA-N 412.614 7.689 10 1 HKCF Oc1ccccc1CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 82155426 MCOCRVDHFMXOCU-UHFFFAOYSA-N 421.298 5.454 10 1 HKCF [N-]=[N+]=NCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587259800 IQBSSCNUUASROF-UHFFFAOYSA-N 406.206 5.637 10 1 HKCF CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(O)c1O 5854653 HCBKENVWCDLQOA-JOCHJYFZSA-N 424.493 5.233 10 1 HKCF endogenous,in-man O=C(O)c1cc(/N=N/Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)ccc1Cl 169718363 BSNUGPUYUHABNL-GHVJWSGMSA-N 419.220 5.934 10 1 HKCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@@H](C)N(C)[C@H](C)C2 2356784929 QREAIJCLFRBKRM-HUUCEWRRSA-N 407.510 5.181 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)c(O)c1)CC3=O)C=CC(C)(C)O2 38841862 MUADCOGGQPLCBH-HXUWFJFHSA-N 422.477 5.203 10 1 HKCF biogenic COc1ccc(-c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 1857619670 RDPMTBYUQPFCPX-UHFFFAOYSA-N 424.305 5.175 10 1 HKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)cc(O)c(O)c2O1 64436986 BTLRXKRGQQIJSD-JOARPAQESA-N 412.614 7.689 10 1 HKCF CCCCC[C@H](CCCC)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 85624704 FMKUEHPHNWKTOZ-UGKGYDQZSA-N 422.562 5.317 10 1 HKCF biogenic,in-vitro Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 587272394 RWIHZLCEUDVYMJ-UFYHVXEKSA-N 415.280 5.913 10 1 HKCF COc1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(O)c1O 587784559 AEVJFSOEAVANLK-TWGQIWQCSA-N 415.474 5.430 10 1 HKCF Cc1cc(-c2csc(COc3ccc(F)cc3F)n2)c(C)n1-c1ccccc1F 587922576 QOWXIYIALRECJL-UHFFFAOYSA-N 414.452 6.214 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1F 36471728 OQCGBIQWAAGHII-UHFFFAOYSA-N 402.485 5.419 10 1 HKCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N(C(C)=O)[C@H](C)C4)c(C)cc(OC)c12 39011444 UZUMFHYHEXNNOD-HZPDHXFCSA-N 419.521 5.392 10 1 HKCF CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 95573805 GDEWNDAIPHGUIE-UHFFFAOYSA-N 424.541 5.229 10 1 HKCF COc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587512394 NKEXHTIDCOBYDZ-RUZDIDTESA-N 401.506 5.688 10 1 HKCF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1C 963113168 SDFZJCHDUYFLHH-UQBPGWFLSA-N 418.512 5.130 10 1 HKCF Cc1ccnc(N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccc(C)nc3c2O)c1 103262604 SMBYLHNICQGSGM-NRFANRHFSA-N 424.331 6.461 10 1 HKCF CCOc1ccc(-n2c(C)cc(C(=O)CSCc3ccc(OC)cc3)c2C)cc1 208398423 WXUGPHBBQXCXOP-UHFFFAOYSA-N 409.551 5.618 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742331 QRZUCOUOHARLPV-SZNDQCEHSA-N 405.355 5.366 10 1 HKCF CN1CCc2cc(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc2[C@@H](c2ccccc2)C1 254102154 IYQILANVZYXSBD-LOLUNWTRSA-N 418.625 5.413 10 1 HKCF COc1ccc(CCNCc2c(C)ccc([C@@H](C)CCC=C(C)C)c2O)cc1OC 299833548 PWOPPZUBNYJBRS-IBGZPJMESA-N 411.586 5.900 10 1 HKCF Cc1ccc2c3c(cc(-c4ccc(O)c(CN5CCCC5)c4)nc13)-c1ccccc1C2=O 587096295 GTSUEVUOHPCPSZ-UHFFFAOYSA-N 420.512 5.723 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)cc1 587196365 TXLGAYOGALJQRH-UHFFFAOYSA-N 410.403 6.125 10 1 HKCF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)CC2=O 587460857 IXBRVMPIVOHOCJ-XMMPIXPASA-N 424.880 5.318 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N(C)[C@H]4C)c(C)cc(O)c12 2356530898 LZTDUHSZESGGRE-CABCVRRESA-N 407.510 5.186 10 1 HKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)cc(Br)c1O 39194359 CHPWMILLLGUBMA-UHFFFAOYSA-N 412.283 5.189 10 1 HKCF O=S(=O)(Nc1ccc(N=Nc2ccc(O)c3ccccc23)cc1)c1ccccc1 261142111 NFTGEHUQQIZWGW-UHFFFAOYSA-N 403.463 5.762 10 1 HKCF aggregator Cc1ccc(-c2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)o1 586902167 BRXKLOZLVOFAIT-UHFFFAOYSA-N 404.425 5.574 10 1 HKCF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587061354 DZBVNRDEBMEFHQ-GOSISDBHSA-N 416.864 5.522 10 1 HKCF Fc1ccc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)cc1 653818642 MKOHTQWRQUCZIH-UHFFFAOYSA-N 400.522 5.563 10 1 HKCF O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 72175428 ZTUFOYDYQIKXSW-UHFFFAOYSA-N 423.229 5.651 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2O)N1 587713119 RQUXJFGMCICEJV-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)O2 587381801 LIZAGPPHTHYULN-IBGZPJMESA-N 400.400 5.109 10 1 HKCF CCCN(CCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742431 RJAIENYSNFBMFW-IVZQSRNASA-N 419.382 5.838 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Br)ccnc3[nH]1)N2 587078010 FBMXPFXRDNNJST-RWSFTLGLSA-N 401.695 5.200 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587271348 AXZIGGUYPLTICE-LPMFXHHGSA-N 414.387 5.625 10 1 HKCF COc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc1 96933005 VDAVOYOYNCCBGD-UHFFFAOYSA-N 414.505 6.877 10 1 HKCF CC1(C)Oc2cc(C34C[C@H]5C[C@@H](CC(N=[N+]=[N-])(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 299861186 KTNCCROPHUIBHH-IZBKDDRTSA-N 423.557 5.709 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587820506 DOWNVIWUNIGUKH-JEOXALJRSA-N 420.322 5.027 10 1 HKCF CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCc1ccc(O)c(O)c1 8860429 BONADYPROORJTR-QNEBEIHSSA-N 413.602 6.346 10 1 HKCF CC1(C)CC(NCCCNc2c3ccccc3nc3ccccc23)CC(C)(C)N1[O] 104966098 LXEOXTCPTFHXLR-UHFFFAOYSA-N 405.566 5.147 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CCc4ccncc4)n3)c2C)c1 587924290 QEYCCHXBJRAMOR-UHFFFAOYSA-N 405.592 6.120 10 1 HKCF COc1cc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 1857656365 FCDYHBYUZQGMDZ-HXUWFJFHSA-N 406.869 5.046 10 1 HKCF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 1857764779 ZDNGSHREHIWLOB-FQEVSTJZSA-N 422.868 5.404 10 1 HKCF CCN1C(=Cc2ccc3c4ccoc4ccc3[n+]2CC)C=Cc2c1ccc1occc21 59790597 DOBZCVDTDVMUSS-UHFFFAOYSA-N 407.493 6.534 10 1 HKCF Cc1cccc(N[C@@H](c2ccc3cccnc3c2O)c2c(F)c(F)cc(F)c2F)n1 202331947 YDCZODYBERKOLC-NRFANRHFSA-N 413.374 5.402 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3c2)cc1 587781869 DSGILDWJFZZTSC-UHFFFAOYSA-N 423.472 5.889 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2O)N1 587713135 RSUBKKPSIPKABW-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599049 YWUXXVODOXITDK-BVAGGSTKSA-N 415.489 5.394 10 1 HKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(Br)cc3)c(C)c1C(=O)C2=O 1857748394 MKESIPQEYNEOBO-UHFFFAOYSA-N 424.294 5.625 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277270 RSKWPBIKPDAEPA-YHTYYEMMSA-N 418.350 5.162 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc5ccccc5c4)c1C)[C@@H](C2)C3=O 587430852 KWCYKARTUHZMPJ-HOFKKMOUSA-N 409.485 5.745 10 1 HKCF O=C(N=Nc1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O 253928702 ZWSBBYODLRMEQN-UHFFFAOYSA-N 421.456 6.178 10 1 HKCF COc1ccc(/C=C\Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c1 587929059 LLEYKDQCVADOCB-ARJAWSKDSA-N 401.466 5.211 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2O)N1 587696699 QZLGZBLWWBXHHB-CQLKUDPESA-N 419.121 5.398 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCOCC4)cc3)c2c1 40891568 LFZFLCNYASOBIF-UHFFFAOYSA-N 419.912 5.630 10 1 HKCF CCOC(=O)c1sc2ccccc2c1/N=N/Nc1cc(OC)c(OC)c(OC)c1 299839704 SNJZGUAHZFUUTA-UHFFFAOYSA-N 415.471 5.215 10 1 HKCF Cc1ccc2c3c(cc(-c4cccc(NC(=O)CN=[N+]=[N-])c4)nc13)-c1ccccc1C2=O 587097459 IHHVLRZUMPCJLH-UHFFFAOYSA-N 419.444 5.670 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2)N1 587766523 NSHAPQOUKYIKBN-SPLOXXLWSA-N 403.339 5.202 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c(F)cccc4F)n3)c2C)c1 587924380 VQDPMMAKUUWSBE-UHFFFAOYSA-N 412.530 6.885 10 1 HKCF Cc1ccc(C)c(Cn2c(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587391236 QNUGNBKXOZUYCC-SANMLTNESA-N 424.544 6.212 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c3ccccc23)N1 587758480 XLOBPZWMTVJZGA-MCMMXHMISA-N 413.334 5.431 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)cc4C)n3)c2C)c1 587924114 GIYZMGODQJDHPR-UHFFFAOYSA-N 404.604 7.223 10 1 HKCF Cc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2c1 587755004 NOSBIKUUUNGVRL-XUSGNXJCSA-N 401.323 5.320 10 1 HKCF CC[C@H](C)NCc1ccc2n1-c1ccccc1S[C@H]2c1ccc(OC)cc1OC 13651971 KINZMPRXMDYDFD-FYSMJZIKSA-N 408.567 5.578 10 1 HKCF Cc1ccc([C@H](NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 95596235 VQFJZXKRMYXTAJ-CEYNDMKZSA-N 402.538 5.631 10 1 HKCF COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587756118 QWHPFAGTFWVMAH-MQJDWESPSA-N 417.322 5.021 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4cccn4)n3)c2C)c1 587924473 ZZFOXDRVGMCLPM-OAHLLOKOSA-N 408.596 5.940 10 1 HKCF CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 4161545 VFXCOMJJWDHKBY-UHFFFAOYSA-N 419.594 6.349 10 1 HKCF CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 96272450 OKNVKYBLZGATAL-JOCHJYFZSA-N 423.512 5.300 10 1 HKCF Oc1c([C@H](Nc2ccc(F)cn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 202334870 XVOHRENASVMKSR-LJQANCHMSA-N 414.267 5.983 10 1 HKCF CSc1ncc(CN2CCC(N(C)Cc3cc(Cl)ccc3Cl)CC2)s1 299858845 HCTBYQMSLYUZLO-UHFFFAOYSA-N 416.443 5.268 10 1 HKCF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1cccc(F)c1O 36474058 WNIQCFDTNCENIC-UHFFFAOYSA-N 415.940 5.837 10 1 HKCF C[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1C(F)(F)F 587097434 HMFZTPNYRWXFKS-LBPRGKRZSA-N 420.390 5.509 10 1 HKCF CC(=O)OC1CCN([C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)CC1 72180381 CUZCXVQLLQMWOO-DEOSSOPVSA-N 409.913 5.316 10 1 HKCF Oc1ccc(C2=NN(c3ccccc3)[C@H](c3noc(-c4ccc(Cl)cc4)n3)C2)cc1 96911221 PXHFGPKDKKPOQQ-NRFANRHFSA-N 416.868 5.451 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)O2 587384627 GLMZGBGBKSJFHQ-DEOSSOPVSA-N 414.480 5.734 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CCn4nccc4C)n3)c2C)c1 587924436 YJHGETZNVYYJJW-UHFFFAOYSA-N 408.596 5.687 10 1 HKCF C[C@@H](/N=N/c1ccc2ccccc2n1)c1ccc(-c2cccc(C(=O)O)c2Cl)o1 169730117 APPXRKOCTBCFNE-NKYKXMNPSA-N 405.841 6.691 10 1 HKCF Fc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1C(F)(F)F 587078192 KKWJFGGLMRADQM-PISHQANHSA-N 407.798 6.201 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)C1C(=O)c2ccccc2C1=O 963234804 VRWRCNNBFOIICI-WHLCRQNOSA-N 409.529 5.282 10 1 HKCF O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1 43071183 SHPVZQXAMPPKMN-XSFVSMFZSA-N 406.312 6.460 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512193 LVKCAXVIUPFSAH-MHZLTWQESA-N 413.517 5.666 10 1 HKCF Nc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 3781885 AKYQUIAWRGDGCP-AREMUKBSSA-N 406.529 5.501 10 1 HKCF investigational Cn1c(-c2ccccc2)cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc21 169349607 OTKZPPHCTVLICZ-UHFFFAOYSA-N 403.570 5.001 10 1 HKCF Cc1sc2c(c1C)CCN[C@@H]2c1cc(C)n(-c2cccc(Br)c2)c1C 963015425 BFNNDIBWOMWOKP-HXUWFJFHSA-N 415.400 5.770 10 1 HKCF COc1cccc([C@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]23)c1OC 102955434 BOKUEZDPRWVPMX-VBHSOAQHSA-N 404.279 5.432 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(=O)O)cc4)n3)c2C)c1 587924224 NCHKJEKVWPNDSK-UHFFFAOYSA-N 420.559 6.305 10 1 HKCF Nc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 11686484 AKYQUIAWRGDGCP-SANMLTNESA-N 406.529 5.501 10 1 HKCF investigational C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587697581 HEXHFYVEJASCOP-BMLIUANNSA-N 409.690 5.330 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc(O)cs4)n3)c2C)c1 587925746 UCFDQIYKSPUDDF-UHFFFAOYSA-N 413.593 5.692 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccc(N(CC)CC)cc1 963245150 ZXOFMHQOXLKOKB-KDYSTLNUSA-N 422.613 5.688 10 1 HKCF Clc1ccc(OCCCn2c3c(c4ccc(Br)cc42)CCNC3)cc1 1857608501 DRLLGBPFXRBUAB-UHFFFAOYSA-N 419.750 5.172 10 1 HKCF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 2389522 KNYNUVZHFAMLDT-UHFFFAOYSA-N 422.477 5.300 10 1 HKCF biogenic Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Br)cnc3[nH]1)N2 587078542 VHQGGLHXNSBYBT-OZVIIMIRSA-N 401.695 5.200 10 1 HKCF Cc1cc(Br)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1F 587138126 WZTUIZIYDOZVRH-UHFFFAOYSA-N 412.262 5.814 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 587512152 LKYDUTCKTXIZKF-XMMPIXPASA-N 416.477 5.588 10 1 HKCF CC(C)N1CCCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587767498 RBGKNWJYLARGAM-RCDICMHDSA-N 417.366 5.373 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 587111735 AUGARXWTJRBASD-SFHVURJKSA-N 412.415 5.199 10 1 HKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924429 XYNANBYCWQHJMJ-UHFFFAOYSA-N 420.603 7.005 10 1 HKCF C[C@@]1(c2ccc(Br)c(F)c2O)NCCc2c(Cl)cc(Cl)cc21 963121556 NLACJYMUXGTVDN-INIZCTEOSA-N 405.094 5.010 10 1 HKCF CCN1C(=CC=C[C@H]2N(CC)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21 2356821499 GBLMGFFCPARLQT-AREMUKBSSA-N 414.637 7.047 10 1 HKCF CN(C)c1ccc(-c2nc3ccc(-c4nc5ccc(F)cc5s4)cc3s2)cc1 28713977 GWQAYDLFVCTDTI-UHFFFAOYSA-N 405.523 6.445 10 1 HKCF CC(C)(Oc1ccc(CCCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O 95563256 DDVMLELPQTXBNO-CYYJNZCTSA-N 418.493 6.356 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3c2)cc1 587006163 JBWYLSHSQMKTKZ-UHFFFAOYSA-N 419.282 5.620 10 1 HKCF S=C1CCCC2=C1[C@H](c1ccccc1Br)c1c(ccc3ccccc13)O2 103272317 PPPUVGONERENQN-JOCHJYFZSA-N 421.359 6.935 10 1 HKCF COc1ccc(-c2cc3c(CN4CCC(N5CCCCC5)CC4)c(O)ccc3o2)cc1 169349593 UVXXADGXDXLFBZ-UHFFFAOYSA-N 420.553 5.264 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3c2)cc1 587083758 KABCNDBNCJWNPZ-UHFFFAOYSA-N 412.880 6.320 10 1 HKCF CC(=O)N1c2ccc3ccccc3c2[C@H]2C=CC[C@@H]2[C@H]1c1ccc(Br)cc1 13154404 QXFVAFMBSIXVEP-AWRGLXIESA-N 418.334 6.370 10 1 HKCF CCn1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587757359 UWWZAMDEVOJQSM-QKVFXAPYSA-N 401.323 5.495 10 1 HKCF O=C(OC1CCCCC1)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O 653918585 FCWFIAXYYMWJLN-UHFFFAOYSA-N 410.297 5.506 10 1 HKCF C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963119768 ICVOEWDJAWSJAM-XMMPIXPASA-N 424.327 5.468 10 1 HKCF CC(C)=CCCC(C)=CCOc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1 2356668344 NJKCJOIOBNJNFZ-UHFFFAOYSA-N 406.478 5.943 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)cc2)N1 587768783 WDXRQRQYLMKTRG-OYHNWAKOSA-N 417.366 5.376 10 1 HKCF CCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=S)C(CC)(CC)C1=S 66123589 SMSIJAOXKOFIPS-UHFFFAOYSA-N 420.599 7.950 10 1 HKCF CCN(Cc1ccccc1)Cc1cc(-c2ccc([C@H](C)C(=O)OC)cc2F)ccc1O 1857600662 BZIOWQRRICIUII-SFHVURJKSA-N 421.512 5.497 10 1 HKCF CC(C)Oc1cccc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)c1 82083787 UDMWPHYVMPILHD-UHFFFAOYSA-N 400.526 5.837 10 1 HKCF COc1ccc2ccccc2c1-c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1 103970353 SHVATMAYPNYDKM-BYYHNAKLSA-N 411.421 5.350 10 1 HKCF CCc1c(-c2c(C)c3ccccc3n2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986973 IJCUIHIOFMKADI-UHFFFAOYSA-N 418.496 6.181 10 1 HKCF COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1CCCCCCCN=[N+]=[N-] 71721245 DKVDSXKVCPINNR-UHFFFAOYSA-N 421.545 6.021 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)cc1 586979985 ZZBZDQXEHFVDHR-UHFFFAOYSA-N 415.678 5.415 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3c2)cc1 587007245 OXLNCTOLZXETBL-UHFFFAOYSA-N 420.270 5.243 10 1 HKCF CC[C@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587061355 DZBVNRDEBMEFHQ-SFHVURJKSA-N 416.864 5.522 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c21 587131943 XRAAKXBKSIULAB-UHFFFAOYSA-N 414.411 5.220 10 1 HKCF COc1ccc2c(c1)[C@H](C)N(C(=O)Nc1cccnc1)[C@H](C)CN2Cc1ccccc1 1772608522 DHEBYNYUDYRHRT-MOPGFXCFSA-N 416.525 5.094 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@H](C)N[C@H](C)C2 13359189 XJKBCFDZMXLQGI-CABCVRRESA-N 407.510 5.142 10 1 HKCF biogenic COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(F)(F)F)cc3)c2c1 72139950 ZFRRHHFKXVRKAK-UHFFFAOYSA-N 402.803 6.812 10 1 HKCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3cc(Br)ccc3O)[nH]c12 587636968 RDHBTPZMFGUWIC-UHFFFAOYSA-N 408.251 5.668 10 1 HKCF CCCN(CCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742437 RJAIENYSNFBMFW-QRQCRPRQSA-N 419.382 5.838 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)ccc3ccccc23)N1 587833551 OKCGMNNEGNPFNZ-GTJPDFRWSA-N 400.291 5.245 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccccc1-n1cccc1 253977909 UXNLIKVLGGBMQI-UHFFFAOYSA-N 409.243 5.351 10 1 HKCF Cc1c(-c2ccc(O)c(O)c2)n(CCCCOc2ccccc2)c2ccc(O)cc12 1911574617 JKFIRSWXXKRPOS-UHFFFAOYSA-N 403.478 5.593 10 1 HKCF CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc(O)c(O)c1)CC2=O 13339858 ZDWMRJGRDBAYIT-FQEVSTJZSA-N 422.477 5.203 10 1 HKCF biogenic NCC(CN)CCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26752309 DVCUOYNICLHHFX-UHFFFAOYSA-N 412.581 5.768 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(Cl)cc(Br)c1 587941665 UNYBWKNDGLZXLJ-UHFFFAOYSA-N 404.691 5.577 10 1 HKCF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(OC)ccc1O 36474429 OIGNBQTZTSJHSE-UHFFFAOYSA-N 413.949 5.317 10 1 HKCF COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2cccs2)c1 45388382 BZGDKIUHRSXAHN-LJQANCHMSA-N 409.536 5.010 10 1 HKCF Cc1cnc(SC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378104 ULRFZUUMAUYJIL-RXVVDRJESA-N 415.511 5.206 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2F)N1 587724553 JFNLLZBUTGPYMY-LRTDBIEQSA-N 421.329 5.341 10 1 HKCF CCCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922886 YNZPRVOTWUOAQE-UHFFFAOYSA-N 406.526 6.813 10 1 HKCF Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)C1 219903609 DAQBKTNXRBIXHT-OAQYLSRUSA-N 416.521 5.121 10 1 HKCF CCn1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587757357 UWWZAMDEVOJQSM-LAJNKCICSA-N 401.323 5.495 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2O)(c2ccccc2Cl)N1 962942867 CQSJQWTTXANFFM-MRDQGFSESA-N 416.952 6.052 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587271932 LOVISQNNGWVCGK-RWSFTLGLSA-N 416.268 5.308 10 1 HKCF Nc1ccccc1-c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587249715 FCGYYGITQVXPKF-UHFFFAOYSA-N 415.452 5.255 10 1 HKCF COc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587757928 WDLVTEGRZBHHPF-WIUDPPPLSA-N 417.322 5.021 10 1 HKCF COc1ccc(C(=C/Cc2cccs2)/N=N/c2nc3ccccc3c(=O)n2C)cc1 169720504 FFTBSGLEFGNNBC-ZKMJRSMRSA-N 416.506 5.371 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596124 RARNDGAEAZFZRR-RDGATRHJSA-N 401.462 5.004 10 1 HKCF CCCNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 27207592 VMUCZIKKKCGKHA-UHFFFAOYSA-N 420.538 5.325 10 1 HKCF Cc1cccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1 40943211 XAPOTBPYCJLOQK-VWLOTQADSA-N 409.529 5.846 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587271933 LOVISQNNGWVCGK-ZETOZRRWSA-N 416.268 5.308 10 1 HKCF C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)NCCc2c(Cl)cc(Cl)cc21 963119764 ICVOEWDJAWSJAM-DEOSSOPVSA-N 424.327 5.468 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)CC2=O 587470920 MYKBXMOCVLMMLX-QHCPKHFHSA-N 419.477 5.187 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694233 PRCLXVXRLKVYBD-CQLKUDPESA-N 419.121 5.398 10 1 HKCF CC(C)(C)[C@H]1COc2c(NCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 27555587 GYGKOSPLLSZXJO-JOCHJYFZSA-N 400.522 5.749 10 1 HKCF Cc1cccc([C@H]2CN(C)CCc3c2cc(O)c(O)c3-c2ccc3ccccc3c2)c1 40943213 XAPOTBPYCJLOQK-RUZDIDTESA-N 409.529 5.846 10 1 HKCF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587196563 VXRBKVQROQJAHV-UHFFFAOYSA-N 412.497 5.413 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276807 NNURWZLBPSKLHX-YRUZYCQGSA-N 416.815 5.538 10 1 HKCF Cc1ccc(Cl)c(Nc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1Cl 27764376 INJQPBNOPYOXQO-ZROIWOOFSA-N 409.363 5.876 10 1 HKCF Cc1cccc2c(/N=N/C(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 103969433 KKSKIEBDJAAZCE-FAAODDGMSA-N 424.460 5.263 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 169730136 LUWLGJQXHNRMPL-LQYYBXHWSA-N 411.870 6.753 10 1 HKCF [N-]=[N+]=NCC(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987896 UMFJGKLAVARJHT-UHFFFAOYSA-N 421.416 5.068 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(Cl)c2Cl)N1 587696024 OVNSXOVNIKHPFS-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF COc1cc(OC)cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922050 ICILEQJTCPISFC-UHFFFAOYSA-N 408.498 6.041 10 1 HKCF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccc(OC)c1O 36473913 UPDWKHYDQPJIEA-UHFFFAOYSA-N 413.949 5.317 10 1 HKCF CC(=O)Oc1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1C(=O)O 39194408 NKLFRXVLDROPLA-UHFFFAOYSA-N 423.468 5.533 10 1 HKCF O=C(c1cccc2c(F)cccc12)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294678 TZKIDZOMYHTMJT-HSZRJFAPSA-N 411.436 5.071 10 1 HKCF COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@H]1N2CC=C(C)C 195320540 KEWZWBIFZYMPPG-NSOVKSMOSA-N 416.609 6.308 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Cl)cc2Cl)N1 587694701 QDNDQVLXBPQWEY-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF COc1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587756115 QWHPFAGTFWVMAH-FIKIJFGZSA-N 417.322 5.021 10 1 HKCF COc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587756121 QWHPFAGTFWVMAH-WSVYEEACSA-N 417.322 5.021 10 1 HKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@@]21NCCc2c1c(C(C)C)nn2C 962920040 QJOHCEXFGNZMFV-IVCQMTBJSA-N 423.004 5.268 10 1 HKCF COc1cccc(-c2cc(CCc3ccc(O)c(O)c3)nc3c2oc2ccccc23)c1 587365018 CEVCZBVOQYWLQU-UHFFFAOYSA-N 411.457 5.853 10 1 HKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1 587751982 PEYLZFKUPFKRHL-XMHCIUCPSA-N 413.334 5.619 10 1 HKCF CC(=O)c1cc(C)c(O)c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O 1911572918 FSFAYHCGGGBUFN-UHFFFAOYSA-N 407.310 5.259 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@H]4C)c(C)cc(OC)c12 2356708136 FXTOKXMBXDISIX-GJZGRUSLSA-N 407.510 5.147 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1F 587501120 AJXCLFSKXIEBQJ-DEOSSOPVSA-N 407.460 5.958 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724516 IUMYVPNHHGKFEO-FKIZINRSSA-N 409.318 5.197 10 1 HKCF Cc1cc(-c2csc(-c3ccc4c(c3)OCCO4)n2)c(C)n1-c1ccccc1F 587922643 RRRFDNWBSDYZKE-UHFFFAOYSA-N 406.482 5.795 10 1 HKCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C(C)(C)C)C(C)(C)C)c1 29549519 LLFDIQYQIXGNLI-CYYJNZCTSA-N 403.962 5.422 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2Cl)n1-c1ccc(F)cc1 36471940 JZPKQQPCTWSINM-UHFFFAOYSA-N 400.950 5.794 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576840 KUQASXBFEQZTQI-OZXSUGGESA-N 411.457 5.503 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cccc4ccccc34)[nH]c21 587969130 QROZYMSLSVLMRO-NTCAYCPXSA-N 400.437 5.662 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963099616 APNOCKKFHHHEJH-NVQXNPDNSA-N 402.513 5.330 10 1 HKCF C[C@]1(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)NCCc2ccc(O)cc21 963341947 OXWKUENHADLYHJ-XMMPIXPASA-N 400.482 5.197 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC(CCC=C(C)C)=CC[C@H]1C2=O 15268472 YAHBSDIPFPMSAO-QYBDOPJKSA-N 424.537 5.805 10 1 HKCF in-vitro CCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(Cl)cc2)cc1 40422489 LIRLFXQVRZLAHQ-UHFFFAOYSA-N 411.014 6.217 10 1 HKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3cc(Cl)ccn3)cc2)cc(C)c1O 103283673 NWRSZGDBXDGLBP-GHVJWSGMSA-N 416.890 5.274 10 1 HKCF CC(C)(C)c1cc(O)c(CN2CCCCC2)c2c1oc1c3ccc(O)cc3oc(=O)c12 1857606864 TTZWHKDPEPQDFQ-UHFFFAOYSA-N 421.493 5.387 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC=C(CCC=C(C)C)C[C@H]1C2=O 15268457 FGQZFAWOAMMXKN-QYBDOPJKSA-N 424.537 5.805 10 1 HKCF endogenous,in-man Oc1ccc([C@H]2CN(C/C=C/c3ccccc3)CCc3c2cc(O)c(O)c3Cl)cc1 27856930 MHDDBNVKTIVNMX-ZMTJCJBESA-N 421.924 5.160 10 1 HKCF Cc1ccc(/N=N/c2sc(N)nc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1 98083108 QHALQKSDMUYJOU-BYYHNAKLSA-N 413.506 6.368 10 1 HKCF CC(C)=CCCC(C)=CCc1c([C@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O 2356599216 RCYMAXCAVMNZBM-XMMPIXPASA-N 408.494 5.745 10 1 HKCF Cc1cc(-c2c(F)cc3/c(=N/c4ccc(N)cc4)ccn(C4CC4)c3c2F)cc(C)n1 27320053 KDRCQDHLOSBHSI-JBASAIQMSA-N 416.475 5.748 10 1 HKCF Oc1cc(I)ccc1CNc1ccc(C2CCCCC2)cc1 473082460 HVEPUFFFYGWRRJ-UHFFFAOYSA-N 407.295 5.657 10 1 HKCF CCCC(Br)(CCC)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586970163 AUPQADQQHYLWGD-UHFFFAOYSA-N 402.336 6.128 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Cl)cc2O)N1 587691829 ISBQWZJSSOWQEM-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587738794 CYORFBKBGJIJDW-YEJXKQKISA-N 421.354 5.067 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1Cl 587501394 AOVLTZIVBPWXBH-XMMPIXPASA-N 405.925 6.333 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N(C)[C@H]4C)c(C)cc(O)c12 2356530902 LZTDUHSZESGGRE-GJZGRUSLSA-N 407.510 5.186 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@H]2C 2356708994 KTLBUSLEVHZILI-HOTGVXAUSA-N 421.537 5.484 10 1 HKCF O=C(O)c1cccc2c3ccccc3[c-](/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c12 169692271 DZRSMFMKAIRNSO-QURGRASLSA-N 403.330 5.642 10 1 HKCF CN1c2ccc(Cl)cc2[C@@]2(C)c3cn(C)cc3-c3c([nH]c4ccc(Cl)cc34)[C@@H]12 221752281 VOENECZXFQZIKA-PKTZIBPZSA-N 408.332 6.291 10 1 HKCF CCc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1Br 586976117 CWZGNLBGJLZFRX-UHFFFAOYSA-N 408.299 5.929 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587764296 DDADOAZKSMVBAZ-SPLOXXLWSA-N 403.339 5.120 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCCC3)cc2)N1 587767213 QVKCRWVDEJENIU-IVZQSRNASA-N 417.366 5.592 10 1 HKCF Cc1cc(I)cc2c1N[C@H](c1cccc(N)c1)[C@@H]1CC=C[C@H]21 1772652941 INBIXBPYYMPJEB-FRQCXROJSA-N 402.279 5.008 10 1 HKCF Brc1cccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)c1 169724119 UXAICZZKSRMTDA-SOYKGTTHSA-N 417.310 6.267 10 1 HKCF O=[N+]([O-])c1ccc(/N=N/c2c3ccc(O)cc3c(O)c3c(O)cccc23)c([N+](=O)[O-])c1 27521383 UTPOCLCURCMFNB-QURGRASLSA-N 420.337 5.342 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C(C)=O)c3)c1C)CC2=O 587471216 OWYKCVNMEXFIED-VWLOTQADSA-N 417.505 5.661 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(C(C)(C)c4ccccc4)n3)c2C)c1 587924060 BLBPERHBDOAGCI-UHFFFAOYSA-N 418.631 7.265 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)cc1 587196112 QUENJMZUVHWZRW-UHFFFAOYSA-N 420.314 6.474 10 1 HKCF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(C)(C)C)c1O 26654873 REEKEFKOQZVXIW-UHFFFAOYSA-N 411.977 6.523 10 1 HKCF CCn1c2ccccc2c2cc(C/N=N/c3cc(C)nc4cc5c(cc34)OCO5)ccc21 169693550 XKVABQAVBADXRF-ORIPQNMZSA-N 422.488 6.684 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccccc3c2O)N1 587830080 AYQQJGVALSRTSW-LAJNKCICSA-N 400.291 5.245 10 1 HKCF CN(C)c1ccc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832096 KVIBDACGPZJPHD-MHZLTWQESA-N 411.549 5.222 10 1 HKCF Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(-c2nc3ccccc3s2)cc1 96933001 VUFNOSNCKWUAFP-UHFFFAOYSA-N 411.486 6.638 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O 587472076 XNULXNAXAOYQOX-DEOSSOPVSA-N 405.494 5.467 10 1 HKCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2Sc2ccc(C)cc2)cc1 28950835 DKDYXEBHVHTCJZ-DEOSSOPVSA-N 421.518 5.478 10 1 HKCF Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 84654952 ORKGKDBXZFOPEH-DKRHUIDYSA-N 416.609 5.863 10 1 HKCF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccc(N)cc2)n1 3832066 SMIBCPFPBUZPDB-UHFFFAOYSA-N 418.328 5.703 10 1 HKCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@@H](C)N(C)[C@@H](C)C2 2356784930 QREAIJCLFRBKRM-LSDHHAIUSA-N 407.510 5.181 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc2ccccc12 587510607 BQZAQIXDKJZAEF-MUUNZHRXSA-N 421.540 6.833 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)ccc3ccccc23)N1 587832965 LLCWCLAVHKQOHF-XUSGNXJCSA-N 400.291 5.245 10 1 HKCF O=C(O)[C@@H]1CCCN(CC/C=C/c2cccc(/N=N/c3cccc4ccccc34)c2)C1 1857644586 XPFBDFBVESCJJA-ZEBBJSQKSA-N 413.521 6.455 10 1 HKCF CC[C@@H](C)NCc1ccc2n1-c1ccccc1S[C@H]2c1ccc(OC)cc1OC 13651970 KINZMPRXMDYDFD-GYCJOSAFSA-N 408.567 5.578 10 1 HKCF O=[N+]([O-])c1ccc2c(/N=N/c3cccc4ccccc34)c(O)cc(S(=O)(=O)O)c2c1 40762214 SPXSGSRQIABMJW-QURGRASLSA-N 423.406 5.269 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OC[C@@H]2CCCO2)n1-c1cccc(C(=O)O)c1 40762610 HSDKKACNZVIDJB-IBGZPJMESA-N 411.885 5.362 10 1 HKCF CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 95585307 QZZGNGJACXGZKQ-UHFFFAOYSA-N 408.567 5.237 10 1 HKCF Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2C(F)(F)F)cc1 96174914 GPNUZKUYDLXSFE-DHDCSXOGSA-N 411.495 5.654 10 1 HKCF CCCNc1cc(OCC)c(Br)cc1-n1c(C)cc(C(=O)OCC)c1C 587935356 DXOIFFQUKPGVHS-UHFFFAOYSA-N 423.351 5.254 10 1 HKCF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCc1ccc(O)c(O)c1 82153269 REWQVNRZRPEQBD-HZJYTTRNSA-N 416.602 6.997 10 1 HKCF COc1ccc(C(=O)N2N=C(c3cc(Cl)ccc3O)C[C@H]2c2ccc(C)cc2)cc1 299838161 LSDJTXVUSCPPJT-QFIPXVFZSA-N 420.896 5.354 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)ccc3ccccc23)N1 587832960 LLCWCLAVHKQOHF-GTJPDFRWSA-N 400.291 5.245 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4o3)cc2)cc1 29128565 LJBZFLLHKKHBOU-SNAWJCMRSA-N 416.496 6.470 10 1 HKCF C(=C/c1cnc(/C=C/c2ccc(N3CCCC3)cc2)cn1)\c1ccc(N2CCCC2)cc1 95575042 HRHINCXYXXBGCG-YDWXAUTNSA-N 422.576 6.018 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 587383444 XEQDCOHWGOWNLW-NRFANRHFSA-N 414.427 5.710 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)nc4)n3)c2C)c1 587924147 IDNOHVBVJJJMMW-UHFFFAOYSA-N 411.983 6.655 10 1 HKCF CN1CCc2c(Br)cccc2[C@]1(Cc1ccccc1)c1ccccc1O 963268921 BFDZMKDRHGFNJY-HSZRJFAPSA-N 408.339 5.129 10 1 HKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCc3ccccc3)CCCC(C)(C)[C@@H]1CC2 1857549641 IMBHCPOQJNRSOS-KDYSTLNUSA-N 421.581 5.548 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N4CCOCC4)c3)c2c1 40894717 XDVAESPGNXGWMC-UHFFFAOYSA-N 419.912 5.630 10 1 HKCF O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(O)c(O)c1 13782378 LGXBCDWVVZFJJC-UHFFFAOYSA-N 402.475 5.130 10 1 HKCF CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O 95563611 HCISJKNVUOHNQX-OCEACIFDSA-N 404.466 5.966 10 1 HKCF in-vitro Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)CCC2 587510616 BSQLQRSBFXANBT-HHHXNRCGSA-N 411.545 6.168 10 1 HKCF CCC(C)(C)[C@H]1CCc2sc3ncnc(/N=N/c4c(O)[nH]c5ccccc45)c3c2C1 100703032 PYJLQTSCWUASNR-GWVHZUGZSA-N 419.554 6.835 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587720771 UAHCHMGGYFHJEB-ZSEKCTLFSA-N 421.329 5.260 10 1 HKCF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587951104 JBIPEDSDEFIDDX-HNNXBMFYSA-N 418.452 5.632 10 1 HKCF CSc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1 6877998 LBQBUWFLBVMJPB-SFHVURJKSA-N 418.606 5.605 10 1 HKCF CCN(CC)c1ccc([C@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)cc1 19327926 HGNUXCZTXYRJAG-IEUSDUHPSA-N 414.597 5.480 10 1 HKCF Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1 219920360 ALAOTVUVSRASBV-JOCHJYFZSA-N 416.521 5.121 10 1 HKCF Cc1cc2c(c3oc(C(=O)c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473082491 ILMWFRZHKWDUAB-UHFFFAOYSA-N 424.452 5.535 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc(Cc4ccccc4)s3)[nH]c21 587021878 PZNJJEPIVSNIHQ-UHFFFAOYSA-N 421.481 5.053 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2O)N1 587696701 QZLGZBLWWBXHHB-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587755689 PWMXEOOWWZKKJV-WHEQGISXSA-N 413.334 5.619 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2)N1 587766520 NSHAPQOUKYIKBN-LHSJRXKWSA-N 403.339 5.202 10 1 HKCF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586915840 ISGBXIAPXFEKNT-CJFMBICVSA-N 413.477 5.154 10 1 HKCF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587150813 UKCXAGXUXFZVHG-UHFFFAOYSA-N 417.419 5.283 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2O)N1 587709449 AAWHYTFKZDUDED-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCCC3)cc2)N1 587767226 QVKCRWVDEJENIU-NYHFZMIOSA-N 417.366 5.592 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3cccc(-c4ccccc4)c3)[nH]c21 587962187 VFTXKLUZBMZYCP-UHFFFAOYSA-N 414.464 5.596 10 1 HKCF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118921345 WXNBQQHPUKBRCM-OFYXWCICSA-N 416.610 5.197 10 1 HKCF CCCCC[C@H](CCCC)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356365109 FMKUEHPHNWKTOZ-SIKLNZKXSA-N 422.562 5.317 10 1 HKCF COc1ccc(Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OC 587922913 YWEUXJBDRHTXIV-UHFFFAOYSA-N 422.525 5.965 10 1 HKCF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587242272 RLCIKFMZPQXPKU-UHFFFAOYSA-N 400.482 5.589 10 1 HKCF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(OC)c3c(O)cc(C)cc13)[C@H](C)C2 2356867483 WSFDLISXQFZWRH-HZPDHXFCSA-N 407.510 5.392 10 1 HKCF Cc1ccc(N(Cc2cc(Cl)cc(Cl)c2O)CN(N=O)c2ccccc2)cc1 73275776 JQEZNAZGBXHVQH-UHFFFAOYSA-N 416.308 6.160 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1 587080684 SKKAZVKBTIRNBX-LJQANCHMSA-N 417.900 5.315 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2Cl)N1 587695515 NWBOBXVQRCSXNE-ODXCJYRJSA-N 423.757 5.465 10 1 HKCF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587952702 VVZSPCVFUJCXSZ-AVYPCKFXSA-N 402.494 5.385 10 1 HKCF COc1cc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 1857656364 FCDYHBYUZQGMDZ-FQEVSTJZSA-N 406.869 5.046 10 1 HKCF c1ccc(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)cc1 5934063 UOPPFMKJKGBCJL-UENCTGHTSA-N 402.586 6.657 10 1 HKCF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c3cccc1c32 963017562 CWHPTYCQTUJPEN-IQMFZBJNSA-N 406.570 5.130 10 1 HKCF CN(C)c1ccc(/C=C/c2ccnc3ccc(I)cc23)cc1 6375053 VFTFYLUPIANILS-ZZXKWVIFSA-N 400.263 5.076 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Cl)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587271549 FJFPRIIAVKYBQZ-GDLVEWKHSA-N 416.268 5.308 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694221 POCIFTOOCMCJQE-CQLKUDPESA-N 419.121 5.398 10 1 HKCF NCCCCCc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26847513 CGCOKCCDWVGWCP-UHFFFAOYSA-N 400.482 5.711 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587743167 WAVCXMDZEYTNIU-ASSNKEHSSA-N 421.354 5.067 10 1 HKCF COc1ccc(N=Nc2nc3cc(Br)c(Br)cc3n2C)cc1 263592160 GCAISBKBIUBBJN-UHFFFAOYSA-N 424.096 5.522 10 3 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)[C@H](CC=C(C)[C@H]1CC=C(C)C)C2=O 59065550 LTDXHSVIDXPYBK-KABRZNFWSA-N 424.537 5.661 10 1 HKCF biogenic,in-vitro CC(C)CCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 64491831 BGBDYUJDNLVMOV-UHFFFAOYSA-N 406.607 7.372 10 1 HKCF biogenic Oc1ccccc1C1=NN(c2cccc(Cl)c2)[C@H](c2ccc(O)c(F)c2F)C1 299828312 IWYZSYOXYGMZMV-KRWDZBQOSA-N 400.812 5.385 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 587150492 RZTNSTATYABVFR-VWLOTQADSA-N 424.479 6.278 10 1 HKCF [N-]=[N+]=NCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 587259582 FHLHGJCYCQMDNO-UHFFFAOYSA-N 401.106 5.501 10 1 HKCF CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cccc(O)c1O 40865267 MBEFHDMWGTWNKH-KLCFJSLKSA-N 408.538 6.396 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587758960 ZECBMNGCJAYDFA-DMZKTXOQSA-N 413.334 5.619 10 1 HKCF CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=Nc4c(O)[nH]c5ccccc45)c3c2C1 617960312 PYJLQTSCWUASNR-CYBMUJFWSA-N 419.554 6.835 10 1 HKCF Oc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[C@H]1NCCc2nc3ccccn3c21 962983303 BOESSENYVKWWDL-OAQYLSRUSA-N 410.304 5.249 10 1 HKCF Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922022 GTAVUHQCOCFMND-UHFFFAOYSA-N 419.525 5.846 10 1 HKCF CC(=O)N[C@@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12 72175542 UMUKASLHCBXSIW-NRFANRHFSA-N 410.267 5.280 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118921326 YKCJFMOBSSZJDJ-BSWAIDMHSA-N 417.594 5.796 10 1 HKCF Cc1ccc(N=Nc2c(CSc3ccccn3)nn(-c3ccccc3)c2O)cc1 299872443 SUJVQUYFVQWCQO-UHFFFAOYSA-N 401.495 5.989 10 1 HKCF aggregator Nc1ccc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 58575544 HNHCEHBCVQOHKJ-UHFFFAOYSA-N 403.913 5.497 10 1 HKCF Cc1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1Br 586979377 LKONBXGZUTZAPQ-UHFFFAOYSA-N 409.287 5.379 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccnc(Br)c3[nH]1)N2 587078531 UYCUFSIXFGYWES-RWSFTLGLSA-N 401.695 5.200 10 1 HKCF COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cn1 587924201 LHHJBCDKIQNHKT-UHFFFAOYSA-N 407.564 6.010 10 1 HKCF CN(C)c1ccc(/C=C2/C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1 40951841 DQYVDZOXEWYHMC-NBVRZTHBSA-N 409.316 6.278 10 1 HKCF COc1ccc([C-](Cc2ccccc2)/N=N/c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1 169693554 PDYWUZLWSLJMNV-GHVJWSGMSA-N 405.390 5.418 10 1 HKCF CC(C)CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]12 2356568570 MYXGWWKWFNXLQO-PNTFMKQHSA-N 416.558 5.461 10 1 HKCF COc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(OC)c1 587922010 GOXMVFOSBPUXEU-UHFFFAOYSA-N 408.498 6.041 10 1 HKCF CCc1cc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Cl 587052701 IRAKCYHBCYHEHX-UHFFFAOYSA-N 416.864 5.133 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccccc3c2O)N1 587832649 KHIRUEHANGSPNN-XUSGNXJCSA-N 400.291 5.245 10 1 HKCF Cc1cccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 201506615 GPXRJIVPLLVPFZ-OCEACIFDSA-N 418.478 5.455 10 1 HKCF O=C1c2ccccc2C(=O)N1CCCCCCNc1c2ccccc2nc2ccccc12 14946322 ZULDSVIFWWBRHT-UHFFFAOYSA-N 423.516 5.657 10 1 HKCF Cc1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@](O)(C(F)(F)F)C2)cc1 28568197 QNPSRZTVXGKJAX-LJQANCHMSA-N 405.807 5.062 10 1 HKCF c1ccc(CCCCN2[C@H]3CC[C@H]2c2c(n(Cc4ccccc4)c4ccccc24)C3)cc1 261095796 FIRXDZAUSDKQNJ-LSYYVWMOSA-N 420.600 6.774 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587738792 CYORFBKBGJIJDW-ASSNKEHSSA-N 421.354 5.067 10 1 HKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(Cl)cccc23)c1 27524749 OAQFFQBKJPTCFK-UHFFFAOYSA-N 421.884 5.846 10 1 HKCF CC(C)N1CCCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764039 BOAYFETXMKVDLI-JLCFBVMHSA-N 417.366 5.373 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946812 YCQWMISTOVXGCB-QHCPKHFHSA-N 417.480 6.127 10 1 HKCF CN(C)c1ccc(/C=C/C2=NCCc3cc(Cl)c(O)cc3N2c2ccccc2)cc1 45316516 FATROPVSFPNWPE-JLHYYAGUSA-N 417.940 5.918 10 1 HKCF Cc1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078383 OZCKKBSHQBTBCZ-JCGVRSQUSA-N 414.734 6.114 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Cl)cc2O)N1 587692428 KRAXTCUNOJXZEV-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF Cc1c(CN2CCOCC2)cc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 1857771091 SJEIWUPZUDSSFE-UHFFFAOYSA-N 418.434 5.443 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)ccc2O)N1 587822602 PREHCOKKPGNSOF-DMZKTXOQSA-N 412.302 5.584 10 1 HKCF Cc1cc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)c(C)n1-c1ccccc1F 587921967 FLHIXLOICHOWGT-UHFFFAOYSA-N 418.537 6.955 10 1 HKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1 26847632 JIPHRWGYVSZDDJ-UHFFFAOYSA-N 421.522 5.210 10 1 HKCF NCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28640846 SXIMWTIQBXQHFF-UHFFFAOYSA-N 416.565 5.683 10 1 HKCF COc1cc(C/N=N/c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F 169688458 RKZJUALOEXMNPN-SHHOIMCASA-N 421.453 5.947 10 1 HKCF [N-]=[N+]=NCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587260518 SKTZPAFAYNJCGO-UHFFFAOYSA-N 406.206 5.637 10 1 HKCF O=C(O)c1cccc2c(-c3ccc(Br)cc3)c(-c3ccc(O)cc3O)[nH]c12 587638438 LMEPRJAKQRTHRF-UHFFFAOYSA-N 424.250 5.374 10 1 HKCF CC[C@@]1(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC(=O)c2ccccc2C1 587960537 MGATVDVHJAGFRI-SANMLTNESA-N 411.505 5.705 10 1 HKCF Cn1c2ccccc2c2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)ccc21 1857551152 PGDRLRSGOODTHX-STZFKDTASA-N 400.528 5.737 10 1 HKCF C[C@@H](CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C 1538060 VIZZNTMFZJICBL-HNNXBMFYSA-N 401.503 5.035 10 1 HKCF Cc1cc(-c2csc(-c3cccc(Cl)c3Cl)n2)c(C)n1-c1ccccc1F 587922763 SZCCHJFNHGTVKI-UHFFFAOYSA-N 417.336 7.331 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(F)c(Br)cc1F 587943778 PGPHEXPRMQQDFA-UHFFFAOYSA-N 412.255 5.264 10 1 HKCF Cc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2c1 587756942 SZZWHDQSFAKOAQ-QKVFXAPYSA-N 401.323 5.320 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCC3)cc2O)N1 587811118 MTQXUKUFZOWYBR-GTJPDFRWSA-N 420.322 5.239 10 1 HKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)ccc12 26936252 TUZVAEYLFRWWDK-UHFFFAOYSA-N 421.522 5.129 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccccc3)C2)ccc1O 28653262 CPNAKSWZISHMTQ-JOCHJYFZSA-N 401.535 5.557 10 1 HKCF COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2cccs2)c1 45388379 BZGDKIUHRSXAHN-IBGZPJMESA-N 409.536 5.010 10 1 HKCF O=C(/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O 102457051 ZWSBBYODLRMEQN-DQSJHHFOSA-N 421.456 6.178 10 1 HKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccc2ccccc2c1 103296299 JQMZSOVJVVBDQZ-SANMLTNESA-N 420.577 7.961 10 1 HKCF CC1(C)COC(c2cccc(-n3c(CCC(=O)O)ccc3-c3ccc(Cl)cc3)c2)=N1 587937762 MXAQEUANFCCZGE-UHFFFAOYSA-N 422.912 5.370 10 1 HKCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2Sc2ccc(C)cc2)cc1 28950836 DKDYXEBHVHTCJZ-XMMPIXPASA-N 421.518 5.478 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3c2)cc1 587076662 NVLCEFBCOJBUQH-QHCPKHFHSA-N 418.928 5.928 10 1 HKCF CC[C@H](C)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26663760 HQIMKBIUFZCDCY-HNNXBMFYSA-N 411.977 6.739 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587724479 IGMABIZBBHGWMP-ZSEKCTLFSA-N 421.329 5.125 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 29339918 IJIWCTWYMCTHDT-UHFFFAOYSA-N 417.425 5.260 10 1 HKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OC)cccc23)c1 27524677 CPTNSVBGXIEPBZ-UHFFFAOYSA-N 417.465 5.201 10 1 HKCF Cc1sc2c(c1C)CCN[C@H]2c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 963011305 PBUAWXDLGNHDKE-FQEVSTJZSA-N 402.510 5.609 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587272392 RWIHZLCEUDVYMJ-CLUVUEOHSA-N 415.280 5.913 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1 587133801 CZGJMGFAQSHXCT-VURMDHGXSA-N 417.337 5.803 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc(-c2coc3cc(O)ccc3c2=O)c1O 15120655 JVYKYLOUVXNIMK-VIZOYTHASA-N 422.477 5.518 10 1 HKCF biogenic,in-vitro CCN(CC)[C@@H](c1ccc(N(C)C)cc1)[C@@H](c1ccc(N(C)C)cc1)N(CC)CC 73352699 DMVSUWFLIQJFBW-WMPKNSHKSA-N 410.650 5.285 10 1 HKCF COc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1OC 96285979 WCLKYUKNOPZVAN-NRFANRHFSA-N 421.884 5.208 10 1 HKCF CCCCn1c(O)c(N=NC(=O)c2ccncc2)c2cc(Br)ccc21 253995122 PPSOMQIBMCUAKB-UHFFFAOYSA-N 401.264 5.229 10 1 HKCF CCOC(OCC)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924074 CGTPCHYXNWEZTB-UHFFFAOYSA-N 402.585 6.011 10 1 HKCF Cc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n1-c1ccc(F)cc1F 962667884 WRLFNXFVZZIRDL-HHHXNRCGSA-N 414.499 6.274 10 1 HKCF CC(=O)Nc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587921852 CIPXRHNAZIKNGJ-UHFFFAOYSA-N 405.498 5.982 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599050 YWUXXVODOXITDK-JYFHCDHNSA-N 415.489 5.394 10 1 HKCF Cc1[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(O)cc1 299849782 WLLNUCDAXGASML-UHFFFAOYSA-N 411.874 5.372 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2O)N1 587691187 DBSZAFMRDCLYCH-NZFNHWASSA-N 405.094 5.224 10 1 HKCF O=C(c1ccc(F)c(F)c1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28460373 XCCXVYPNNNPHQC-LZCJLJQNSA-N 419.383 5.031 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)cc1 587195350 HVCFDCXBYKJGDJ-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2O)N1 587712382 PFKPDTCVXUCVAN-HUTHGQBESA-N 418.228 5.110 10 1 HKCF Nc1ccccc1NC(=O)c1ccc(CNc2cccc(/N=N/c3ccccc3)c2)cc1 1857761277 JPEJJZVPCTVTSM-NVQSTNCTSA-N 421.504 6.549 10 1 HKCF Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 28711856 IXYSVUNLBBCQRQ-UHFFFAOYSA-N 424.548 6.327 10 1 HKCF Cc1ccc(-c2ccccc2OCc2ccc(F)cc2F)n1-c1cccc(C(N)=O)c1 28822643 NZJJVOUMDSHTKC-UHFFFAOYSA-N 418.443 5.409 10 1 HKCF Oc1c(O)c(-c2ccccc2)c2c(oc3c2ccc2cccc(O)c23)c1-c1ccccc1 2356334361 FCFRWKYZBHGMJP-UHFFFAOYSA-N 418.448 7.190 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc13)CCC(C)(C)O2 2356546007 WMGLONUPSGZFIE-UHFFFAOYSA-N 422.477 5.189 10 1 HKCF Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCc1c-2nc2cccc3c2c1CC3 587210071 CYRDSUCVXNAFOY-UHFFFAOYSA-N 404.435 6.217 10 1 HKCF Cc1cc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)c(C)n1-c1ccccc1F 587922249 MEIBVNUTFUQJLR-UHFFFAOYSA-N 421.545 5.918 10 1 HKCF Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1N(c1ccc(Cl)cc1)C[C@H]2C 142489941 SBRJLPKKZHHGCO-CQSZACIVSA-N 416.916 5.129 10 1 HKCF in-vitro Cc1cccc([C@H]2CCCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)C2)c1 219920392 ALAOTVUVSRASBV-QFIPXVFZSA-N 416.521 5.121 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(/C=C(\N)c4ccccc4)n3)c2C)c1 587924044 APLWYKIQRAGMSU-HMAPJEAMSA-N 417.603 6.396 10 1 HKCF COc1cccc2c(-c3c(O)cc4c(c3O)[C@@H](C)N(C)[C@H](C)C4)c(C)cc(OC)c12 13359053 WRXPLBVTINZPLM-HUUCEWRRSA-N 407.510 5.181 10 1 HKCF biogenic Oc1ccccc1CN1CCC[C@@H](COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 45194592 RZALWFIGNISILG-LJQANCHMSA-N 423.503 5.689 10 1 HKCF CCOC(=O)c1c(O)csc1Nc1ccc(Br)c(C(F)(F)F)c1 169730440 GXQKKIHOOUTPPD-UHFFFAOYSA-N 410.211 5.155 10 1 HKCF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@@]1(C)CCc2c(C)cc(O)c(O)c2O1 238789467 BTLRXKRGQQIJSD-SZFAOCEZSA-N 412.614 7.689 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(N(C)C)cc3)c1C)CC2=O 587471321 PSFZCTPLPVPBRX-VWLOTQADSA-N 418.537 5.525 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2C)c1 587924340 SQZJHCVGAUHYQH-UHFFFAOYSA-N 421.547 6.515 10 1 HKCF Clc1ccc(OCCCn2c3c(c4cccc(Br)c42)CCNC3)cc1 1857571262 HVCBRINBJAGGLC-UHFFFAOYSA-N 419.750 5.172 10 1 HKCF Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2-c2cc(-c3ccccc3)nn21 169702029 SQWOBUZEINPFNU-JOCHJYFZSA-N 408.288 6.202 10 1 HKCF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587233509 RHAWNZAEQXDESR-ROUUACIJSA-N 408.502 5.098 10 1 HKCF CC(=O)N[C@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12 72175543 UMUKASLHCBXSIW-OAQYLSRUSA-N 410.267 5.280 10 1 HKCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 95590730 JCWSHTMGPCJHIO-UHFFFAOYSA-N 422.594 5.232 10 1 HKCF C[C@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2c(c1)OCCO2 169690363 YOLORXWIPRREGH-NLEUPFHJSA-N 416.648 5.356 10 1 HKCF O=C(CSCc1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccccc12 253983063 WMAZUWOASRSJIE-UHFFFAOYSA-N 404.289 5.180 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(F)cc3F)c1C)CC2=O 587467424 RWIADJTZLDSQOF-QHCPKHFHSA-N 411.448 5.737 10 1 HKCF C[C@@H](Sc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857583938 HZJCIRZWOWSMOU-SNVBAGLBSA-N 424.328 5.329 10 1 HKCF CCc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 5138535 FNSWVSQPRNEINM-UHFFFAOYSA-N 421.522 5.074 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1 103961475 BVMWBLSGXGHKHI-ZQHSETAFSA-N 407.433 5.440 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587272185 PFCIVGVFHLUKBI-LXIYXOSZSA-N 415.280 5.913 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]21C 59066804 PHFQEHPMSYAMIH-BFIDETRKSA-N 410.510 5.358 10 1 HKCF endogenous,in-man C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)cc2O)N1 587819921 CCVYQNQPGAINCL-WHEQGISXSA-N 412.302 5.584 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2C)c1 587924154 IPKZCOVJLUPWIE-UHFFFAOYSA-N 421.547 6.515 10 1 HKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(O)c(-c2ccccc2)c1 587925432 HOHHLUNGZOLLLL-UHFFFAOYSA-N 417.892 6.188 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946309 UYEHAMFFTGLZPG-UHFFFAOYSA-N 419.427 6.232 10 1 HKCF CC(C)c1ccc(OC[C@@]2(c3ccc(O)cc3O)NCCc3cccc(Cl)c32)cc1 963391671 WIZXPCCQJONQBJ-VWLOTQADSA-N 423.940 5.343 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@@H](C)N(C)[C@@H](C)C2 5849393 PGHJSNHPVCVQPJ-JKSUJKDBSA-N 421.537 5.484 10 1 HKCF biogenic CC(C)=CCc1c2c(c3oc(-c4ccc(O)c(O)c4)cc(=O)c3c1O)C=CC(C)(C)O2 85996139 RXJKTROWIPFDFX-UHFFFAOYSA-N 420.461 5.270 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2O)N1 587713122 RQUXJFGMCICEJV-XYZCENFISA-N 418.228 5.110 10 1 HKCF Cc1cccc(N[C@H](c2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)n1 198990997 FYPUIPYMWVYSSE-HXUWFJFHSA-N 409.411 5.864 10 1 HKCF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C1CCCC1 587227205 WQDPQQATEXPQCV-NRFANRHFSA-N 422.529 5.693 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC3CCCC3)cc2O)N1 587811122 MTQXUKUFZOWYBR-QKVFXAPYSA-N 420.322 5.239 10 1 HKCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4cccnc4)c3)cc2)CC1 1857774295 NRJYNDJSFPHCGL-SNAWJCMRSA-N 417.940 5.241 10 1 HKCF CCCCC[C@@H](CC(=O)C[C@H](CC(C)C)c1cc(O)c(O)c(OC)c1)OC(C)=O 2356350765 JLFRCTSBBQUCTI-PXNSSMCTSA-N 408.535 5.097 10 1 HKCF CCCc1c(OCCCCCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 3798369 OQEIIMAVZDNEPC-UHFFFAOYSA-N 416.514 5.416 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587702283 PALXMRMXBSTZAH-BTDLBPIBSA-N 409.690 5.330 10 1 HKCF O=C(CSCc1cccc(Br)c1)/N=N/c1c(O)[nH]c2ccccc12 101469155 QBSSKIZTFDHQPV-QZQOTICOSA-N 404.289 5.180 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 587271350 AXZIGGUYPLTICE-NJSLBKSFSA-N 414.387 5.625 10 1 HKCF CC(C)N1CCCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587767496 RBGKNWJYLARGAM-JLCFBVMHSA-N 417.366 5.373 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)[C@H]1CC=C[C@H]21 587271482 CPLHTGDOIRPJKE-PZROIBLQSA-N 415.375 5.020 10 1 HKCF O=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c3[nH][nH]c4cccc2c43)c([N+](=O)[O-])c1 27520811 BSGRDNVJKZFDSM-XTQSDGFTSA-N 400.354 6.034 10 1 HKCF Oc1nc(-c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)no1 49055141 KAHNKJYFAVHRER-VBHSOAQHSA-N 400.265 5.576 10 1 HKCF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)CC2=O 587460856 IXBRVMPIVOHOCJ-DEOSSOPVSA-N 424.880 5.318 10 1 HKCF CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 95586368 NRQZKQDCFMTUQO-UHFFFAOYSA-N 408.567 5.237 10 1 HKCF Cc1cc(-c2csc(CC(=O)Nc3ccccc3)n2)c(C)n1-c1ccccc1F 587922878 YLUOWKCDTHRQGR-UHFFFAOYSA-N 405.498 5.538 10 1 HKCF COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1O 104702959 BOCAUQNSFOMURO-PSLXWICFSA-N 418.518 6.091 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 587196349 SWQHXZWBJDZOGG-UHFFFAOYSA-N 409.415 6.730 10 1 HKCF Cc1ccc(O)c2c1[C@@H](C)C[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949163 BQFRITHLZDDVJC-WNSKOXEYSA-N 417.471 5.122 10 1 HKCF CC(C)=CCCC1=CC[C@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@H]2C1 15268451 BSQZWSGAKJSBOZ-NSYGIPOTSA-N 410.510 5.502 10 1 HKCF endogenous,in-man CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N(C)C2CCCCC2)cc1 18129090 XVSZMCBZMFMXMW-QPLCGJKRSA-N 422.529 5.116 10 1 HKCF CCCCn1c(O)c(/N=N/C(=O)c2ccncc2)c2cc(Br)ccc21 101693086 PPSOMQIBMCUAKB-QURGRASLSA-N 401.264 5.229 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587272474 UIAMNSWNQQWCTM-AHIWAGSCSA-N 415.375 5.020 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277269 RSKWPBIKPDAEPA-KEYDSSBGSA-N 418.350 5.162 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccc(F)cc1 169351628 RFPDRKHRRDERCY-QHCPKHFHSA-N 400.478 6.496 10 1 HKCF CC1(C)CCc2c(c3c(c4c2O[C@@H](c2ccc(O)c(O)c2)CC4=O)OC(C)(C)CC3)O1 15147567 JZNUJZPOJAHBOH-LJQANCHMSA-N 424.493 5.012 10 1 HKCF biogenic,in-vitro Cc1cccc(N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccc(C)nc3c2O)n1 202327795 RDXYXFSMJLWUDK-NRFANRHFSA-N 424.331 6.461 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)cc1 587268712 BZUCNKYQAYSOBN-UHFFFAOYSA-N 415.453 5.113 10 1 HKCF CN(C)c1ccc(/C=C/C=C/c2cc(/C=C/C=C/c3ccc(N(C)C)cc3)ncn2)cc1 95571608 NECRBIWQLXAJLX-HFBXSBKTSA-N 422.576 6.062 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)cc2O)N1 587695290 RBGQYYMXLICPNQ-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)cc4)n3)c2C)c1 587924329 SBBQNCIITPEEHU-UHFFFAOYSA-N 410.995 7.260 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]21C 5767173 PHFQEHPMSYAMIH-RYUVBPIJSA-N 410.510 5.358 10 1 HKCF endogenous,in-man COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2cccs2)cc1 45365116 MQJDIIHISGDZNL-LJQANCHMSA-N 409.536 5.010 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730167 BEDZIMZXBXOCGI-LQYYBXHWSA-N 411.870 6.753 10 1 HKCF Cc1c(Br)cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587077862 BBNUUJNOCMNYER-JKDFXYPNSA-N 415.722 5.509 10 1 HKCF CNc1cccc2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511489 LGWBGCSITVOHLG-HHHXNRCGSA-N 409.485 5.061 10 1 HKCF CC(C)=CCCC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O 2356672876 AMSGNHVRVKYLPO-QFIPXVFZSA-N 424.493 5.451 10 1 HKCF COc1cc([C]2C=Cc3c(cc(OC)c4c3ccc3cc(O)c(O)cc34)O2)ccc1O 2356845746 NUJHHKMKMTVYLM-UHFFFAOYSA-N 415.421 5.113 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 587511297 FUVATFUKJZPXTH-DEOSSOPVSA-N 415.489 5.408 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 617988261 XPXOCPLSMXRHPC-UHFFFAOYSA-N 423.064 5.323 10 1 HKCF CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95585856 FJCFYPJSQWGLSW-UHFFFAOYSA-N 422.594 5.545 10 1 HKCF C/N=N\Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 169721768 BMMJQYKNYVZEQJ-PQFIHFPNSA-N 412.512 6.409 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271857 JVPGCTMXQYPQMB-VFVRVIDISA-N 414.387 5.625 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2Cl)N1 587695518 NWBOBXVQRCSXNE-YUNKPMOVSA-N 423.757 5.465 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccccc2NCc2cc(N(C)C)ccc2O)c(F)c1 1911576288 JHFHNSGJYJOJFB-MRXNPFEDSA-N 422.500 5.153 10 1 HKCF CN(C)c1cccc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)c1 201764510 JNRJUWAGIBKHMH-UHFFFAOYSA-N 413.565 5.658 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2)N1 587765567 KBLLMNDOUFFCHI-SZNDQCEHSA-N 403.339 5.202 10 1 HKCF CCNc1cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)ccn1 587924108 FYCFADBEMIVMHE-UHFFFAOYSA-N 420.607 6.433 10 1 HKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CCCc1ccc(Cl)c(Cl)c1 587943279 TYKQDEORBSHWSB-UHFFFAOYSA-N 422.377 5.807 10 1 HKCF COc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(C(C)C)cc2)cc1 64436487 DCIAFOKMTGLCJF-UHFFFAOYSA-N 420.622 6.134 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 169351666 KBORREVBCQPCIH-HSZRJFAPSA-N 418.468 6.635 10 1 HKCF COc1ccc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cc1 587936226 UZXRKTWOIHCCNO-UHFFFAOYSA-N 407.473 6.280 10 1 HKCF Cc1cc(C)c([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c(O)c1 961747116 GFVWEZGILSHGFL-QHCPKHFHSA-N 408.542 5.250 10 1 HKCF Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)NCCc2c1sc(C)c2C 963029109 QYQJYOPNQUNYCB-HSZRJFAPSA-N 422.554 5.833 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC4)cc3)C2)cc1OCC 96172908 TXCINAJHHRDFMM-GOSISDBHSA-N 423.553 5.224 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3Cl)c1C)CC2=O 587459733 DCBSACFOIHTQCF-HSZRJFAPSA-N 409.913 6.112 10 1 HKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)cccc12 29473821 CACAHUXFMOBAQV-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF FC(F)(F)c1cccc(N(C[C@@H]2CCCN3CCCC[C@H]23)/N=N/c2ccccc2)c1 45299650 MQQFZWSZTOMTFN-HLYKMARESA-N 416.491 6.475 10 1 HKCF C[C@H](NC(=O)C1(C)CC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149978091 UIKUSBZGWQSENP-SFHVURJKSA-N 404.554 5.057 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)cc1 587195828 OBQOAVCODMLXSN-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF Cn1c2ccccc2c2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)ccc21 1857590357 CPHIQYNYRXJFQF-MTJSOVHGSA-N 416.527 5.443 10 1 HKCF COS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1 26940182 QQHAEJCKKWQWFK-UHFFFAOYSA-N 413.886 5.088 10 1 HKCF Cc1ccc2c(c1)c(C(=O)c1ccccc1NCc1ccc3ncccc3c1)cn2C 40394682 DZQDQEXRRHXGKJ-UHFFFAOYSA-N 405.501 5.878 10 1 HKCF CCC[C@H](Oc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)C(=O)O 169322396 FAGAYYMLMSVJER-QFIPXVFZSA-N 400.478 6.072 10 1 HKCF COc1ccc2nc(-c3ccc(-n4c(C)ccc4-c4ccc(C)cc4)cc3)sc2c1 96933008 NBWNIBZKJPPECG-UHFFFAOYSA-N 410.542 7.046 10 1 HKCF Cc1ccc(C(=C/Cc2cccs2)/N=N/c2nc3ccccc3c(=O)n2C)cc1 169720502 CCHOIIRSMHIJRH-ZKMJRSMRSA-N 400.507 5.671 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)nc3[nH]1)[C@@H]1CC=C[C@H]21 587277561 YKHPYJWWNGUMQW-MDOVXXIYSA-N 403.486 5.299 10 1 HKCF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587117197 QOWGEZCNZAKURX-UHFFFAOYSA-N 407.783 5.010 10 1 HKCF COc1cccc(-c2cc(C3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 587365342 GUAXSHLQWMZAST-UHFFFAOYSA-N 419.436 5.819 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCC3)cc2O)N1 587806934 BRCLDOAGFPAITN-QKVFXAPYSA-N 420.322 5.239 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722384 YOCMUUIIJKGSAQ-YEJXKQKISA-N 421.329 5.260 10 1 HKCF COP(=O)(NC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OC 28240860 XOLOWHXIBBTJPI-UHFFFAOYSA-N 421.393 5.262 10 1 HKCF Fc1cnc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587078108 HVYYLOONAYXSOY-RBZYPMLTSA-N 419.685 5.339 10 1 HKCF Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587645849 MHAYYKXYVJTGLM-UHFFFAOYSA-N 418.472 5.890 10 1 HKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccc(C)cc23)cc1)OC 26000976 OOUGFIDXAPQHPS-UHFFFAOYSA-N 407.410 6.253 10 1 HKCF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(N)cc2)c1 26015893 ANAUVWGIZINCBY-UHFFFAOYSA-N 411.593 6.189 10 1 HKCF COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1O 104702944 BOCAUQNSFOMURO-QKFKETGDSA-N 418.518 6.091 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2n1C)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730119 SIOGZUFEZPMMAW-ODDUIVNTSA-N 408.845 6.030 10 1 HKCF O=c1c(N=Nc2ccc(F)cc2)c(CSc2ccccn2)[nH]n1-c1ccccc1 261130053 KYBJGQYWWLRQGZ-UHFFFAOYSA-N 405.458 5.407 10 1 HKCF [N-]=[N+]=NCC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103966 CNKIRUGMFRZUEA-UHFFFAOYSA-N 405.417 5.362 10 1 HKCF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(O)c1O 5854651 HCBKENVWCDLQOA-QFIPXVFZSA-N 424.493 5.233 10 1 HKCF endogenous,in-man CC(C)=CC[C@H]1C(C)=CC[C@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]12 100256235 FMJIKKXSIVRJGO-HPIXUHPUSA-N 410.510 5.358 10 1 HKCF in-vitro,metabolite Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(Br)c3[nH]1)N2 587078316 NXQUFBOHARIQKL-JKDFXYPNSA-N 400.707 5.805 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5c(c4)CCO5)n3)c2C)c1 587924198 LCCVDNHKRCERGI-UHFFFAOYSA-N 418.587 6.541 10 1 HKCF CC(C)=CC[C@H]1C(C)=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]12 15268424 FMJIKKXSIVRJGO-YSANICFGSA-N 410.510 5.358 10 1 HKCF in-vitro,metabolite O=C(Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1)Nc1ccc(C(F)(F)F)cc1 89455930 YEPDPQGVUZSBHR-OWOJBTEDSA-N 414.383 5.931 10 1 HKCF CCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587791854 IUIUIFLROMWKGL-ODXCJYRJSA-N 408.311 5.096 10 1 HKCF CSc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 653887987 HSCANEUEXOXISB-LICLKQGHSA-N 413.546 5.344 10 1 HKCF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587114672 XAIVGIFLELBHSH-CQSZACIVSA-N 411.427 6.302 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)CCCC4)[C@@H]1CC=C[C@@H]21 587275391 DARTZVZEUHWCJM-PNCHPQGNSA-N 400.482 5.485 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(N)=O)cc4)n3)c2C)c1 587924068 BYIQDEIPQXWHTB-UHFFFAOYSA-N 419.575 5.705 10 1 HKCF Cc1ccc(-c2cc3c(n2-c2ccc(O)c(-c4ccccc4)c2)CC(C)(C)CC3=O)cc1 587924945 CIRNFVPKXZKECB-UHFFFAOYSA-N 421.540 6.980 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)C(=O)[C@@H]2CC=C(C)C 963245124 ZOVHPKQCTRGXEG-BNAYCWRJSA-N 401.550 5.325 10 1 HKCF O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 28712355 KLWKLGJGHVWMIP-HMMYKYKNSA-N 424.887 6.174 10 1 HKCF Cc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)o2)cc1 71295964 XVQJFVHBYCQBFT-QFIPXVFZSA-N 423.472 5.347 10 1 HKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2cccc3ccccc23)C1 1772606687 ZITGFXNXTNADJH-XMMPIXPASA-N 423.541 6.094 10 1 HKCF C[C@@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526663 WOKYWVJIBIYVNC-NDEPHWFRSA-N 424.496 5.512 10 1 HKCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@H](C)CC 82186390 NWVSZZOKKVDKJV-LJQANCHMSA-N 420.605 5.742 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3c2)cc1 587068254 NPDZLPSDGZMNTG-UHFFFAOYSA-N 401.857 5.648 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc([N+](=O)[O-])c1 587512148 LKYDUTCKTXIZKF-DEOSSOPVSA-N 416.477 5.588 10 1 HKCF CN1CCc2c(Br)cccc2[C@@]1(Cc1ccccc1)c1ccccc1O 963268922 BFDZMKDRHGFNJY-QHCPKHFHSA-N 408.339 5.129 10 1 HKCF C[C@@]1(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)NCCc2ccc(O)cc21 963341946 OXWKUENHADLYHJ-DEOSSOPVSA-N 400.482 5.197 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587277563 YKHPYJWWNGUMQW-SXGZJXTBSA-N 403.486 5.299 10 1 HKCF COc1cccc(-c2c(Cc3ccc(O)c(O)c3)c(C)nc3c2oc2ccccc23)c1 587365520 ICUZRPQCHHAPOO-UHFFFAOYSA-N 411.457 5.967 10 1 HKCF CCN(CCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1)C(C)=O 587924169 JOILQYLGQGCNFF-UHFFFAOYSA-N 413.612 5.350 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271770 IEQRXHUMOOTKHE-UVWXRNBGSA-N 416.268 5.308 10 1 HKCF CCCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587764952 HPUYTFFTOAEUHD-FPTDNZKUSA-N 417.366 5.374 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)c(Cl)cnc3[nH]1)[C@H]1CC=C[C@H]21 587271550 FJFPRIIAVKYBQZ-MMPTUQATSA-N 416.268 5.308 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(C)(C)C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276988 PCFGWWJAZCQMJE-ZOCZFRKYSA-N 402.498 5.904 10 1 HKCF COc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)nc3c2oc2ccccc23)c1 587363602 USFZYCFVHPQHTO-UHFFFAOYSA-N 416.480 7.114 10 1 HKCF Cc1c(-c2ccccc2)oc2ccc(O)c(CN3CCC(N4CCCCC4)CC3)c12 144289547 XILCEYFFFVEROB-UHFFFAOYSA-N 404.554 5.564 10 1 HKCF Cc1ccc2nc(C(Cl)(Cl)Cl)nc(/N=N/Cc3cccc([N+](=O)[O-])c3)c2c1 169691862 JAIVKVRCGJCEDI-DARPEHSRSA-N 424.675 5.957 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(F)(F)F)c2O)N1 587713120 RQUXJFGMCICEJV-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF Cc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2c1 587756936 SZZWHDQSFAKOAQ-GTJPDFRWSA-N 401.323 5.320 10 1 HKCF COc1ccc(O)c(O)c1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 40938217 JGFQHGDOQGIOND-MLAGYPMBSA-N 412.614 7.795 10 1 HKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587769144 XIOIYEDNGCZWGC-LHSJRXKWSA-N 403.339 5.120 10 1 HKCF COc1ccc2c(c1)/C(=C\c1c(Cl)n(-c3ccccc3)c3ccccc13)C(=O)N2 5596552 WPJLEHXKBRHDPX-XSFVSMFZSA-N 400.865 5.785 10 1 HKCF O=C1N=C(c2ccc(Oc3ccccc3)cc2)S/C1=C\c1ccc2ccccc2c1 84654708 AFADLJBJOCJUFR-ULJHMMPZSA-N 407.494 6.693 10 1 HKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 40849060 ZSALNCBCUVGPNE-HXUWFJFHSA-N 407.926 5.594 10 1 HKCF OC[C@@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(Cc2ccccc2O)O1 84688808 FELCKJHHQFDXLA-XUZZJYLKSA-N 409.485 5.529 10 1 HKCF COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)C2 40933054 QRORZUAXTXEKKG-IRXDYDNUSA-N 421.537 5.695 10 1 HKCF biogenic CCC(CC)c1ccc2c(NCCCNCc3cccc(OC)c3O)ccnc2c1 72141124 MEMUEUFGGARWDW-UHFFFAOYSA-N 407.558 5.444 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587820509 DOWNVIWUNIGUKH-NSPYISDASA-N 420.322 5.027 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)c(C)c4)n3)c2C)c1 587924377 VMTFKYPXRFJFJE-UHFFFAOYSA-N 404.604 7.223 10 1 HKCF Cc1cc([C@@H]2NCCc3nc4ccccn4c32)c(C)n1-c1cc(Cl)ccc1Cl 962985579 FZDPEHJEHMUHTA-NRFANRHFSA-N 411.336 5.284 10 1 HKCF CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2ccccc2S[C@@H]1c1ccccc1F 26741954 PMZVFIAIEGCOIL-DHIUTWEWSA-N 410.514 5.129 10 1 HKCF COc1ccc(Nc2nc(/N=N/Cc3ccccc3)nc(NCc3ccco3)n2)cc1 169700602 IUILZPAVMSMMHF-RMLRFSFXSA-N 415.457 5.113 10 1 HKCF CC(C)c1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(O)c(C(C)C)c1 586896165 ISNSJRXHEZSPSU-UHFFFAOYSA-N 424.500 5.958 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587743170 WAVCXMDZEYTNIU-ZSEKCTLFSA-N 421.354 5.067 10 1 HKCF CCOC(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587194916 CYHAVHPHQFEMHV-UHFFFAOYSA-N 413.481 5.888 10 1 HKCF COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924095 DVGMTUIDMIDKDU-UHFFFAOYSA-N 406.576 6.615 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN(C)Cc3ccccc3)c2)c(F)c1 1857573956 XWZIQAAEUPPZQU-KRWDZBQOSA-N 407.485 5.107 10 1 HKCF CN(C)c1ccc(/C=C2\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1 98082054 DQYVDZOXEWYHMC-JXAWBTAJSA-N 409.316 6.278 10 1 HKCF Cc1c(F)ccc2c1[C@](CCCCCCC(=O)O)(c1ccc(N(C)C)cc1)NCC2 962145549 MHSDBKHPCJEOLG-VWLOTQADSA-N 412.549 5.015 10 1 HKCF Cn1c(/N=N/C(=C\Cc2ccco2)c2ccc(Cl)cc2)nc2ccccc2c1=O 169720506 XNEAJJUJRCIPJO-FSAVSBPTSA-N 404.857 5.547 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)cc1 587075050 BTRVCLPVYIEHBZ-NRFANRHFSA-N 404.857 5.208 10 1 HKCF CCCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1CC 84652920 KYQSWERTUIIPFD-SAGLCUKQSA-N 407.514 5.589 10 1 HKCF N#Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cc1 35951511 CSPFQCUYXIOJQI-STZFKDTASA-N 416.527 5.262 10 1 HKCF C1=CC=C2NCCCCCCN=C3C=CC=CC=C3NCCCCCCN=C2C=C1 263590732 MHDITQZMOCTSHK-UHFFFAOYSA-N 404.602 5.202 10 3 HKCF O=S(=O)(Nc1cccc(Oc2ccccc2)c1)c1cc(Cl)cc(Cl)c1O 28951420 MARDMVOFOGNUDN-UHFFFAOYSA-N 410.278 5.292 10 1 HKCF CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(C)c2)cc1 95583526 HPLNPAFSORALKR-UHFFFAOYSA-N 422.594 5.545 10 1 HKCF CCc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924308 QXSIKYDWPMLUOX-UHFFFAOYSA-N 404.604 7.169 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587697586 HEXHFYVEJASCOP-BTDLBPIBSA-N 409.690 5.330 10 1 HKCF Cc1cccc(N[C@@H](c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)n1 202332438 QSZFNQFVVDPJNS-NRFANRHFSA-N 410.304 6.152 10 1 HKCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccccc2)cc1 72122677 PUSXFBYEOHFVTO-UHFFFAOYSA-N 424.500 5.236 10 1 HKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCC2CCCCC2)cc1 82152444 TZVJVMKOVGLNHQ-UHFFFAOYSA-N 405.631 6.786 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C)n(-c3cc(Cl)ccc3O)c2C)N1 962942703 BUVMCLJJWMLIHH-XDHUDOTRSA-N 419.956 5.948 10 1 HKCF COc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3ccc(C)c(C)c3)c2C)cc1 5541992 ATRWWZLIIDAYME-OCEACIFDSA-N 419.485 5.210 10 1 HKCF Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(N3CCCCC3)cc2)c2cc(O)ccc21 27436563 GHEPLQYQFHPFJZ-MUUNZHRXSA-N 409.529 5.766 10 1 HKCF CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 223775008 YPLBYQXNSWCZEB-XQNSMLJCSA-N 421.525 6.283 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(Cl)c2Cl)N1 587698418 VHDZYGKIJOHVPX-HYORBCNSSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c3ccccc23)N1 587755168 NFLBMQVYYAVSAZ-XMHCIUCPSA-N 413.334 5.431 10 1 HKCF CC(C)(C)OC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 27524599 LQVSQYQFJLAWDB-UHFFFAOYSA-N 415.493 5.971 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(C)cc2nc2c(OC)cccc12 29334924 XZASAAFEHKBZLU-UHFFFAOYSA-N 416.481 5.669 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCCCC4)cc3)c2c1 53190642 UZWBHGQEUWKJKE-UHFFFAOYSA-N 417.940 6.784 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587271931 LOVISQNNGWVCGK-PGUXBMHVSA-N 416.268 5.308 10 1 HKCF CCCN1CCCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764645 GLXMWUZYNGEWCD-PEBXRYMYSA-N 417.366 5.374 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@@H]1C2=O 59066703 JIBJRIUIIPXXGN-JEIUEKOBSA-N 424.537 5.661 10 1 HKCF in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587702285 PALXMRMXBSTZAH-DYZYQPBXSA-N 409.690 5.330 10 1 HKCF CSc1ccc(-c2ccc(C)n2CC[C@H](c2ccc(F)cc2)c2ccco2)cc1 587944395 BMSBGQPSAUGQPP-HSZRJFAPSA-N 405.538 7.140 10 1 HKCF CN1CC[C@@H]2c3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3C[C@@H]21 40394828 LYILYMXRSWTBQX-YKSBVNFPSA-N 414.549 5.856 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])c(C(=O)O)c2)o1 169730162 YJJQKHKJKUUSFX-CXPUHZOYSA-N 422.422 6.008 10 1 HKCF O=C(O)c1ccccc1/N=N/c1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1 5810553 WIYJWPWFGIPHDU-OCEACIFDSA-N 413.389 5.159 10 1 HKCF COc1cc2cc3c(nc2c(CN2CCCCC2)c1O)-c1ccc(F)cc1SC3 103268086 BGEGXYNHMQRMOS-UHFFFAOYSA-N 410.514 5.347 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3c2)cc1 587087917 PNBUIRGUTWDXDR-UHFFFAOYSA-N 413.868 5.715 10 1 HKCF CC1=C[C@H](CNCc2ccccc2O)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356316443 KQRYMPYFRPEGEB-ZLNRFVROSA-N 417.597 5.764 10 1 HKCF Cc1ccc(-n2nc(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2O)cc1 13864622 NGJXFEUOXUDLFB-WCWDXBQESA-N 402.410 5.167 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cccnc4)cc3)C2)cc1 96173016 KWULWEJWNYZMCF-LJQANCHMSA-N 416.521 5.124 10 1 HKCF Cc1c(CNCc2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 653850089 MGKDUJXOUBAAKA-UHFFFAOYSA-N 421.371 7.049 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 587271853 JVPGCTMXQYPQMB-LXIYXOSZSA-N 414.387 5.625 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763815 AAIGJZJEIYHIPP-QRQCRPRQSA-N 417.366 5.511 10 1 HKCF CN(C)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103869623 ZASIMEPNIWDVMR-NFQMXDRXSA-N 409.533 6.382 10 1 HKCF O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccc(Cl)cc12 40875033 LEQPLDOZSPBNOQ-UHFFFAOYSA-N 400.869 5.541 10 1 HKCF CCN(Cc1ccccc1)c1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)cc1 963041618 YDCJGDMAAQPCLB-HHHXNRCGSA-N 423.560 5.505 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCC2CCCC2)n1-c1cccc(C(=O)O)c1 40763399 VZRLQMMLYIHNCZ-UHFFFAOYSA-N 409.913 6.373 10 1 HKCF S=C1CCCC2=C1[C@@H](c1ccccc1Br)c1c(ccc3ccccc13)O2 103272315 PPPUVGONERENQN-QFIPXVFZSA-N 421.359 6.935 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CCN4CCCCC4)n3)c2C)c1 587924197 LBMWCURVDDRBKD-UHFFFAOYSA-N 411.640 5.968 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1O)c1ccc(OC)cc1O 963225580 FLOTXPSAIWOOEB-QYBDOPJKSA-N 403.522 5.055 10 1 HKCF CC(C)CCC[C@@H](C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 1538057 XQXDURSMCSZFTK-QGZVFWFLSA-N 415.530 5.425 10 1 HKCF COc1ccc([C@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)cc1 103296279 CIFKUUSZRZEHQZ-HSZRJFAPSA-N 400.543 6.817 10 1 HKCF CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 20033509 VHSVKVWHYFBIFJ-RXSFTSLZSA-N 412.283 5.207 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c21 587074187 SAPAZGPYTWSPQQ-UHFFFAOYSA-N 412.876 5.462 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694224 POCIFTOOCMCJQE-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF Oc1cc2c3c(c1O)CC[C@@H]1CCC[C@@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356362749 DSHMSNCQXQWAFC-HAWMADMCSA-N 416.473 5.296 10 1 HKCF COc1cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc(O)c1O 40873606 FVCCWDPZVDDONS-DCVNSYBLSA-N 412.614 7.795 10 1 HKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c2ccc2ccccc23)cc1 26846429 PZHAHIYIPFGBSG-UHFFFAOYSA-N 413.502 5.656 10 1 HKCF CSc1ccc(CN(Cc2ccc(N(C)C)cc2)c2ccc3nc[nH]c3c2)cc1 96173841 VHONMFGGVFEECM-UHFFFAOYSA-N 402.567 5.558 10 1 HKCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)cc1 13651964 LHLNOEZNOVWYGN-VWLOTQADSA-N 416.521 6.432 10 1 HKCF CN(C)c1ccc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832095 KVIBDACGPZJPHD-HHHXNRCGSA-N 411.549 5.222 10 1 HKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccc(C)cc4)c3F)cc12 1857547014 KWEMUJJSWHDREE-CYYJNZCTSA-N 422.395 5.221 10 1 HKCF CC1(C)CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)cc3)c2C1 40848261 RCQOBBMXRCSARB-UHFFFAOYSA-N 409.873 5.018 10 1 HKCF CCOC(=O)Cn1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516031 QJRMEJRSEVWHLN-QHCPKHFHSA-N 417.505 5.098 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)c2Cl)o1 169730160 SVXCRWYEUMRXCI-SJOCPNOISA-N 411.870 6.753 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cc5ccccc5o4)n3)c2C)c1 587924225 NDEWSTDXAKHTGL-UHFFFAOYSA-N 416.571 7.353 10 1 HKCF Oc1ccccc1CN[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 34133027 UUYMUWQTGVZMCY-MHZLTWQESA-N 409.529 5.029 10 1 HKCF COc1ccccc1-c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587930962 IVOPKOVJDCVFJD-UHFFFAOYSA-N 407.473 6.280 10 1 HKCF O=c1c2ccccc2[nH]c(=S)n1-c1ccc(/N=N/c2cccc3cc(O)ccc23)cc1 5596889 WUSCGUWAUJHDIH-CYYJNZCTSA-N 424.485 6.322 10 1 HKCF Cc1cnc2ccc(I)cc2c1/C=C/c1ccc(N(C)C)cc1 13222473 HQGZMWIZDZHHQO-UXBLZVDNSA-N 414.290 5.384 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4cccc(C)c4)c4ccccc14)[C@@H](C2)C3=O 587430354 GZUQQHMHGZKTFE-RBISFHTESA-N 423.512 5.804 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc2cn[nH]c2c1 28822660 IWMSELZELBEFAA-UHFFFAOYSA-N 413.908 6.561 10 1 HKCF COc1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)c2ccccc2n1-c1ccccc1 169310852 MQVRMZUAUDRGRN-XMHGGMMESA-N 400.865 5.785 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277271 RSKWPBIKPDAEPA-YMNVWFMLSA-N 418.350 5.162 10 1 HKCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1-n1c(C)ccc1C 587872302 TYYJWIXATHXERA-UHFFFAOYSA-N 403.457 5.184 10 1 HKCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 1857638167 YGDJDTAOSNKZNJ-NSCUHMNNSA-N 417.940 5.241 10 1 HKCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@@H](C)CC 82186388 NWVSZZOKKVDKJV-IBGZPJMESA-N 420.605 5.742 10 1 HKCF O=C(O)c1ccc(NCc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2O)cc1 103215254 DMEXWQAECZPMOE-UHFFFAOYSA-N 419.868 5.648 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc2[nH]ncc2c1 28822661 PLRFJOKQYPCUQN-UHFFFAOYSA-N 413.908 6.561 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccc(C)cc4)c4ccccc14)[C@@H](C2)C3=O 587431440 OSUMRXMBIOLVJW-DWACAAAGSA-N 423.512 5.804 10 1 HKCF CCOc1ccc(O)c([C@]2(C(F)(F)F)c3ccsc3CCN2Cc2ccco2)c1 962700515 BNLLUCLBRSMIKT-FQEVSTJZSA-N 423.456 5.310 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)n(Cc3ccccc3)c3ccccc23)N1 962939941 CJEFWGBTKWNHMV-KCWXNJEJSA-N 419.572 6.493 10 1 HKCF CCN(CC)Cc1cc(N=c2cc(/C=C/c3ccccc3)[nH]c3ccccc23)ccc1O 1857569810 RBFKVSIEYMDUQC-CCEZHUSRSA-N 423.560 6.118 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)ccc(C(=O)CCc2ccc(O)c(O)c2)c1O 2356510245 RIZPXUCTRBUYLR-UHFFFAOYSA-N 410.510 5.560 10 1 HKCF CC(C)=CCCC(C)=CCc1cc(O)c(O)cc1-c1cc(O)c(CC=C(C)C)c(O)c1 2356774297 UXVUTAYGHIXRNS-UHFFFAOYSA-N 422.565 6.920 10 1 HKCF CCCCNCc1ccc2n1-c1ccccc1S[C@H]2c1ccc(OC)cc1OC 27438003 DHHGZODYFZPCFX-DEOSSOPVSA-N 408.567 5.579 10 1 HKCF Cc1ccc(C)c(Cn2c(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587391234 QNUGNBKXOZUYCC-AREMUKBSSA-N 424.544 6.212 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)s1 587945285 LGFQQALETBLZCS-UHFFFAOYSA-N 423.484 6.477 10 1 HKCF Cc1cc(Cl)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 617989183 LUPQRYWBCCNTNZ-UHFFFAOYSA-N 422.666 5.287 10 1 HKCF CC(C)=CCc1cc(O)c(O)c(CC=C(C)C)c1-c1cc(O)c2c(c1)OC(C)(C)C=C2 13403824 JPZNDUXBHSTFPR-UHFFFAOYSA-N 420.549 6.672 10 1 HKCF biogenic CCCN1[C@@H](C)Cc2ccccc2[C@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 963232465 SPJCZGWAUATFNT-ODCWNRFASA-N 421.924 5.805 10 1 HKCF Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)c(Cl)c2)c(O)c1O 1857598948 NNAJFRGJAOTAAA-UHFFFAOYSA-N 405.159 5.186 10 1 HKCF CCCCCC(=O)c1cc2c(C)cc3c(c2o1)C(=O)c1c(OC(C)C)cccc1C3=O 473082635 JURAJHYCRUTKHU-UHFFFAOYSA-N 418.489 6.067 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276249 JRHLYAJBMJSTIC-JKSBSHDWSA-N 402.498 5.904 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C(C)C)cc4)c1C)[C@@H](C2)C3=O 587430652 KNRIXJGTCSHWEY-BKMJKUGQSA-N 401.506 5.715 10 1 HKCF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2Br)cc1 587636745 HEHOKLHUXUPVCG-UHFFFAOYSA-N 406.279 6.271 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2Cl)N1 587695507 NWBOBXVQRCSXNE-FKIZINRSSA-N 423.757 5.465 10 1 HKCF Cc1c2c(cn1C)[C@@]1(C)c3cc(Cl)ccc3N(C)[C@H]1c1[nH]c3ccc(Cl)cc3c1-2 2356712672 KAAWANRWHLWZFV-BJKOFHAPSA-N 422.359 6.599 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccc(F)cc3)C2)ccc1O 28653290 FWKZAPFFXGKRCD-QFIPXVFZSA-N 419.525 5.696 10 1 HKCF COc1cc(Cc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC 95583090 YJINIGTVMMRYEJ-UHFFFAOYSA-N 400.478 5.360 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCC(=O)O)c1ccc(N(CC)CC)cc1 963245149 ZXOFMHQOXLKOKB-JIPXPUAJSA-N 422.613 5.688 10 1 HKCF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccc(F)c1O 36474428 RNQUMLSINFCQSA-UHFFFAOYSA-N 401.913 5.447 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277353 UGWHDOHTQFOWRI-YRUZYCQGSA-N 400.360 5.023 10 1 HKCF CCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(OC)cc2)cc1 64446731 CESZNGIILHXRDR-UHFFFAOYSA-N 406.595 5.573 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Cl)cc2Cl)N1 587692880 MBRITEYZLQLGNV-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF CC(C)=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c(O)c1CC=C(C)C 14727553 TVXYDDJFAOWCAE-JOCHJYFZSA-N 424.493 5.233 10 1 HKCF biogenic CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cncs4)cc3)C2)cc1 96173012 DKFAJDAUEYATGX-QGZVFWFLSA-N 422.550 5.186 10 1 HKCF CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103222277 YCJMAMFQPDAFIX-SFHVURJKSA-N 415.276 5.657 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3c2)cc1 587083110 GXHMKBCMKIFYSP-UHFFFAOYSA-N 421.287 6.459 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587739110 FNZXAGKQDUNGMB-SPLOXXLWSA-N 405.355 5.366 10 1 HKCF CC(C)=CCCC(C)=CCc1cc(O)c(O)cc1-c1cc(O)c2c(c1)OC(C)(C)C=C2 2356668080 CHRXOQYAWDYYSU-UHFFFAOYSA-N 420.549 6.890 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc2ccccc2cc1O 617960129 HEUAQQUIERAOMT-UHFFFAOYSA-N 410.227 5.419 10 1 HKCF COC(=O)c1ccccc1N=Nc1c2cc(C)[nH]c(C)c2c(O)c2c(=O)cccc12 2356343299 OKIZXHQVPKBPGE-UHFFFAOYSA-N 401.422 5.206 10 1 HKCF CC(=O)c1cccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587511560 HSQHPRAUAJNECS-SANMLTNESA-N 413.517 5.882 10 1 HKCF CCCCCOc1ccc2c(c1OCCCCC)CN(CCc1ccc(N)cc1)C2=O 77863193 DUDPPAWJGXIQNA-UHFFFAOYSA-N 424.585 5.605 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(C(=O)Nc5ccccc5)cc4)nc3c2)cc1 587244669 RBUJPCJUBUHOIG-UHFFFAOYSA-N 420.472 5.857 10 1 HKCF CC(C)/C=C/c1c(O)c(/C=C/C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 38900891 SOJXHIUZAHCLFY-AOPIPTQKSA-N 424.493 5.554 10 1 HKCF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3sccc3-c3ccc(F)cc3)nc21 587164835 CIAXRGZZRISAKD-UHFFFAOYSA-N 424.456 5.873 10 1 HKCF Cc1ccnc2c1CCN[C@H]2c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 963073544 QWHDFJZEBRYFDZ-NRFANRHFSA-N 419.878 5.705 10 1 HKCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)cc1Cl)Nc1cccc2[nH]ncc12 14973529 IXMKYBCGJGOHMF-IYBDPMFKSA-N 409.921 5.059 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(Br)c(F)cc4F)[nH]c3c2)cc1 587136599 SKEYAQMYPQYQBP-UHFFFAOYSA-N 416.225 5.645 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3Cl)c1C)CC2=O 587459736 DCBSACFOIHTQCF-QHCPKHFHSA-N 409.913 6.112 10 1 HKCF CSc1ccc(-c2ccc(C)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)cc1 587944654 GPAZGCNAVACKMB-UHFFFAOYSA-N 407.485 7.245 10 1 HKCF CC(C)=CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@H]12 2356462822 GJGBWBJTIMMKNO-BTZRARBUSA-N 414.542 5.381 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)c(Cl)cc2O)N1 587691585 GUFQJFWUFSBYSX-CQLKUDPESA-N 419.121 5.398 10 1 HKCF CCCCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27760998 LLGLVEMHJHJUOB-UHFFFAOYSA-N 403.519 5.014 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]21C 59066807 PHFQEHPMSYAMIH-YPBQGGFRSA-N 410.510 5.358 10 1 HKCF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2O)N1 587835493 XOJMUUBYUIWCDH-PEBXRYMYSA-N 412.302 5.120 10 1 HKCF CCN(Cc1ccccc1)Cc1cc(-c2ccc([C@@H](C)C(=O)OC)cc2F)ccc1O 1857600661 BZIOWQRRICIUII-GOSISDBHSA-N 421.512 5.497 10 1 HKCF COc1cc(OC)c2c(c1CC=C(C)C)[C@@H]1[C@H](C2)C(C)(C)[C@H]1c1ccc(O)c(O)c1 35029356 AMQPNUCGYDLCTA-WDNCENIBSA-N 408.538 5.703 10 1 HKCF biogenic C[n+]1ccc(-c2c3nc(cc4ccc(cc5ccc(cc6nc2C=C6)[nH]5)[nH]4)C=C3)cc1 35048998 YHOCEUBJMOPILV-UHFFFAOYSA-O 402.481 5.147 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726185 VVMCGTFMPDIGBT-YUNKPMOVSA-N 409.318 5.197 10 1 HKCF Cc1ccc(NCCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922789 VZYWGUMSYOJRLT-UHFFFAOYSA-N 405.542 6.320 10 1 HKCF COc1cc2nc3c(cc2c(CN2CCCCC2)c1O)CSc1c(C)cc(C)cc1-3 43012793 WEWOJKGINGBEGI-UHFFFAOYSA-N 420.578 5.824 10 1 HKCF CCCN1CCCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587764953 HPUYTFFTOAEUHD-JLCFBVMHSA-N 417.366 5.374 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)c(Cl)cc2O)N1 587695292 RBGQYYMXLICPNQ-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF CCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587791853 IUIUIFLROMWKGL-MPBGBICISA-N 408.311 5.096 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(C)cc2O)(c2ccccc2Cl)N1 962942871 CQSJQWTTXANFFM-WGDIFIGCSA-N 416.952 6.052 10 1 HKCF c1ccc(CN2CCN(CCCCNc3c4ccccc4nc4ccccc34)CC2)cc1 45320591 XXTHBPZLGFGZLP-UHFFFAOYSA-N 424.592 5.398 10 1 HKCF CCC(=C[C@H]1Sc2ccc(Cl)cc2N1C)C=C1Oc2ccc(Cl)cc2N1C 2356820347 FJYBCPSNTGIRRY-OAQYLSRUSA-N 419.377 6.568 10 1 HKCF CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 5596284 SMISHLGYQVLLJK-HFVHYTQPSA-N 421.625 5.431 10 1 HKCF COc1cc2c(cc1OC)[C@@H](c1cc(C)n(-c3cccc(C)c3)c1C)N(C)[C@H](C)C2 962619631 FOEBUCYZIXLNMD-WGDIFIGCSA-N 404.554 5.386 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 963232455 SPJCZGWAUATFNT-BZQUYTCOSA-N 421.924 5.805 10 1 HKCF CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2cc(C)ccc2S[C@@H]1c1ccccc1 26736976 OEJZZSHDCCWXMA-DNQXCXABSA-N 406.551 5.299 10 1 HKCF CCOc1ccc(N2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 58546895 NMMBTASSEMZGQZ-XNMGPUDCSA-N 412.577 5.570 10 1 HKCF Cn1c(O)c(/N=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 101564252 UHZTWFIKUGJHRN-OCEACIFDSA-N 412.474 6.085 10 1 HKCF Cc1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587755014 NTICIGDBHKSWRH-LAJNKCICSA-N 401.323 5.320 10 1 HKCF CC1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587770255 RWYOLKYWTKTTPH-OYHNWAKOSA-N 417.366 5.448 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356580733 XCYSQFHYFNWYFP-QFIPXVFZSA-N 424.493 5.451 10 1 HKCF CCN(CC)c1ccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)cc1 19327924 HGNUXCZTXYRJAG-ZRJLEYOISA-N 414.597 5.480 10 1 HKCF Cn1c(O)c(N=NC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 254010832 UHZTWFIKUGJHRN-UHFFFAOYSA-N 412.474 6.085 10 1 HKCF Cc1cccn2cc(Cc3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)nc12 587921995 GJTXRNDSPORPLT-UHFFFAOYSA-N 416.525 5.904 10 1 HKCF COC(=O)c1ccc(-n2c(C)ccc2-c2ccc(SC)cc2)c(O[C@H]2CCOC2)c1 587927749 XULRSWNAXLSILS-IBGZPJMESA-N 423.534 5.129 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2CCCc2ccc(Cl)c(Cl)c2)s1 587943336 WPIGJZVTYFZOTI-UHFFFAOYSA-N 422.377 6.482 10 1 HKCF COc1ccc(Br)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1O 962662805 MIRTZVNHCBNYPQ-NRFANRHFSA-N 410.311 5.065 10 1 HKCF Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)n1 202341127 QLDMGYSSFOUUNR-JOCHJYFZSA-N 424.331 6.461 10 1 HKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N\c4ccc(C)cc4)c3F)cc12 1857597735 KWEMUJJSWHDREE-RQZHXJHFSA-N 422.395 5.221 10 1 HKCF CC(C)Oc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 26848080 YBXZEWKCWGELRR-UHFFFAOYSA-N 421.522 5.290 10 1 HKCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)ccc12 26941654 VRNPLNBAAWNZLB-UHFFFAOYSA-N 405.523 5.428 10 1 HKCF Cn1nc(-c2ccccc2)c2c(Br)cc(C(=O)O)c-2c1-c1ccccc1 68586889 VPNUDXBZIPKLCC-UHFFFAOYSA-N 407.267 5.320 10 1 HKCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694223 POCIFTOOCMCJQE-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF Cc1ccc([C@H]2c3cccc(Br)c3CCN2C)n1-c1ccc(Cl)cc1 963279839 JONOHNKPFCLERE-OAQYLSRUSA-N 415.762 5.779 10 1 HKCF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(C(=O)O)cc1 1857649960 SIRUOIBWCAOQEK-UHFFFAOYSA-N 418.537 5.107 10 1 HKCF Oc1cccc(CCCCCC=CCCCCCCCc2cccc(O)c2O)c1O 2356560034 NAKZWEKDEOZWPV-UHFFFAOYSA-N 412.570 6.751 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccc(Cl)cc2s1)c1ccccc1 169351600 DMDSZDKVXBVMDZ-HSZRJFAPSA-N 416.933 7.010 10 1 HKCF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C\C[C@@H]3C[C@@H](O)CC(=O)C3=O)CCC[C@@]21C 169718130 SWXRZYZEPGMKIW-APSFYHPNSA-N 418.618 5.006 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)n1C 169730176 XKRUXJILCSAUIU-ODDUIVNTSA-N 424.913 6.498 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccc(F)cc1 169351629 RFPDRKHRRDERCY-HSZRJFAPSA-N 400.478 6.496 10 1 HKCF CCN(CC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587574596 XPCSGZDJVQLOQK-RCZVLFRGSA-N 403.478 5.250 10 1 HKCF Cc1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078355 OOVKDODXKXCWNU-KSMMKXTCSA-N 414.734 6.114 10 1 HKCF Nc1ccc(Oc2ccc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3c2)cc1 587145987 YTZRPCNKKVFCJF-UHFFFAOYSA-N 409.464 6.334 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)cc1 587195998 OJYCVHGSTBORAK-UHFFFAOYSA-N 409.415 6.730 10 1 HKCF COc1ccc2ccc(O)c([C@H](c3cccc4ccccc34)N3CCC(C)CC3)c2c1 653708527 XIXHZKJAINAOFM-NDEPHWFRSA-N 411.545 6.529 10 1 HKCF Cc1ccc(Cn2c(C)c([C@@H]3NCCc4nc5ccccn5c43)c3ccccc32)cc1 962992944 ZLCGRCSSIFUGLS-SANMLTNESA-N 406.533 5.189 10 1 HKCF Cc1ccc(-n2c(C)cc([C@@H]3c4cccc(Br)c4CCN3C)c2C)c(C)c1 963288564 DPRKSWDOEHCLKW-DEOSSOPVSA-N 423.398 6.051 10 1 HKCF O=[N+]([O-])c1ccc(/N=N/c2c3ccccc3c(O)c3c(O)c(O)ccc23)c([N+](=O)[O-])c1 102181540 QTDTXMUDXHLMBD-QURGRASLSA-N 420.337 5.342 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 587276804 NNURWZLBPSKLHX-FHGNATFXSA-N 416.815 5.538 10 1 HKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587576285 IJVHPTYBGIZSSH-OZXSUGGESA-N 411.457 5.503 10 1 HKCF Cc1c(F)ccc2c1[C@@](CCCCCCC(=O)O)(c1ccc(N(C)C)cc1)NCC2 962145515 MHSDBKHPCJEOLG-RUZDIDTESA-N 412.549 5.015 10 1 HKCF CC(C)=CC[C@H]1C(C)=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]21C 15268482 PHFQEHPMSYAMIH-RJYGXOMWSA-N 410.510 5.358 10 1 HKCF endogenous,in-man Oc1ccc([C@@H]2CN(C/C=C/c3ccccc3)CCc3c2cc(O)c(O)c3Cl)cc1 27856922 MHDDBNVKTIVNMX-SNXGKTBFSA-N 421.924 5.160 10 1 HKCF O=C1C(Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 28521289 PGQYWMPHMHEZQS-UHFFFAOYSA-N 411.288 5.147 10 1 HKCF [N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587260629 WXCPJGYUYXWXNJ-UHFFFAOYSA-N 406.206 5.637 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)[C@@H](CC=C(C)C)C(C)=CC[C@H]1C2=O 104879430 LTDXHSVIDXPYBK-XWXLMPLOSA-N 424.537 5.661 10 1 HKCF C[C@H](c1ccccc1)[C@@H](Nc1nc2ccccc2s1)c1c(O)ccc2ccccc12 169351590 DAAMCHSXHZPFEX-CRICUBBOSA-N 410.542 7.112 10 1 HKCF Cc1cccc(N[C@@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)n1 202341108 QLDMGYSSFOUUNR-QFIPXVFZSA-N 424.331 6.461 10 1 HKCF CC(C)N1CCCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764038 BOAYFETXMKVDLI-FPTDNZKUSA-N 417.366 5.373 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3)cc2O)N1 587819918 CCVYQNQPGAINCL-DMZKTXOQSA-N 412.302 5.584 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1O)c1ccc(OC)cc1O 963225581 FLOTXPSAIWOOEB-WXTAPIANSA-N 403.522 5.055 10 1 HKCF O=C(O)[C@@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccccc2)C1 1857755343 RKXQWCFMGCCPSP-OAQYLSRUSA-N 411.501 5.458 10 1 HKCF CC(C)(Cc1ccc(Cl)cc1)NCCCCCCNCCc1ccc(O)c(O)c1 45229013 HCEROAKIVWIIGM-UHFFFAOYSA-N 419.009 5.055 10 1 HKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587751502 NAOQMQJUUIUDAZ-XMHCIUCPSA-N 413.334 5.619 10 1 HKCF Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2Br)cc1 96174913 HJDVVIOAZHDVQK-DHDCSXOGSA-N 422.394 5.398 10 1 HKCF CCCCN(CCCC)c1ccc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962963661 ZPTUBBNUVJXMLC-HFZDXXHNSA-N 403.614 6.588 10 1 HKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](C(=O)Oc1ccccc1)C2(C)C 40568300 KLPMUXHRHSBPJY-LJQANCHMSA-N 414.457 5.080 10 1 HKCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587272947 YBAJQKRPSZSQIY-MRRFBWAASA-N 410.861 5.268 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(F)c(F)c4F)c1C)[C@@H](C2)C3=O 587422260 CPWICFMRJNVHHA-NPMXOYFQSA-N 413.395 5.009 10 1 HKCF Cc1cc(Cl)cc2c(N3CCCC3)c(-c3cc(C)n(-c4ccc(F)cc4)c3C)[nH]c12 587624849 VKCRXOCOKUDWNI-UHFFFAOYSA-N 421.947 6.944 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726184 VVMCGTFMPDIGBT-ODXCJYRJSA-N 409.318 5.197 10 1 HKCF CC(=O)Nc1cccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922051 IDWNYBWTVHKLNK-UHFFFAOYSA-N 405.498 5.982 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(SCc1ccccc1Cl)c1nsnc21 219735739 NCEIIWVNSJUXTF-UHFFFAOYSA-N 422.918 5.412 10 1 HKCF CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181051 RGPBZSDAQJPGSU-UHFFFAOYSA-N 404.562 5.106 10 1 HKCF CCC(C)(C)c1ccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587564725 OXSZSTRGOYSTHB-UHFFFAOYSA-N 401.510 6.204 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2O)N1 587712061 NJJAWASGTFIESX-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C)n(-c3cc(Cl)ccc3O)c2C)N1 962942696 BUVMCLJJWMLIHH-MZNJEOGPSA-N 419.956 5.948 10 1 HKCF c1ccc2c(NCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 5208882 GYMNUDCXRFTWTM-UHFFFAOYSA-N 414.512 6.613 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O 587472730 LVNAQEFRISDVOM-HSZRJFAPSA-N 420.465 5.367 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587764297 DDADOAZKSMVBAZ-SZNDQCEHSA-N 403.339 5.120 10 1 HKCF COc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857749937 ONQQNMNDBOIKLW-UHFFFAOYSA-N 413.860 5.582 10 1 HKCF Cc1cc(-c2csc(Cc3cn4ccccc4n3)n2)c(C)n1-c1ccccc1F 587922024 GXIURDAFDKVITJ-UHFFFAOYSA-N 402.498 5.595 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 14615806 ILCMVLORKWIOOH-CEMXSPGASA-N 424.493 5.451 10 1 HKCF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587698005 HEXHFYVEJASCOP-QGHHPUGFSA-N 409.690 5.330 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587720705 UAHCHMGGYFHJEB-ASSNKEHSSA-N 421.329 5.260 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768350 UTNQERKPJLYUNT-QRQCRPRQSA-N 417.366 5.511 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])c(C(=O)O)c2)o1 169730163 YJJQKHKJKUUSFX-WQSHTFOESA-N 422.422 6.008 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)O2 587377848 ZOSVKZYRAJUUFV-NRFANRHFSA-N 415.320 5.998 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)n(Cc3ccccc3)c3ccccc23)N1 962939942 CJEFWGBTKWNHMV-LGGPFLRQSA-N 419.572 6.493 10 1 HKCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549658 SICYGPRRYUPGKO-RXVVDRJESA-N 407.813 5.213 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)ccc3ccccc23)N1 587832962 LLCWCLAVHKQOHF-LAJNKCICSA-N 400.291 5.245 10 1 HKCF CN(C)c1ccc([C@]2(Cc3ccccc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962663104 FWNSAWCXVOJIDD-PMERELPUSA-N 418.584 6.052 10 1 HKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@@H](C)C[C@@]21NCCc2c1c(C(C)C)nn2C 962920046 QJOHCEXFGNZMFV-PUAOIOHZSA-N 423.004 5.268 10 1 HKCF O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1 29126781 YRNJUYSKJYMDIC-ZHZULCJRSA-N 407.429 5.342 10 1 HKCF O=C(CSCc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12 101709620 WMAZUWOASRSJIE-QZQOTICOSA-N 404.289 5.180 10 1 HKCF Cc1ccc(Cn2c(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 587390209 LIAMVQWTMOUVFI-VWLOTQADSA-N 410.517 5.904 10 1 HKCF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587927056 NIYZNQFRKFZUGZ-LJQANCHMSA-N 403.482 5.497 10 1 HKCF CC(C)=CCC/C(C)=C\Cc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 114827946 ILCMVLORKWIOOH-AELLWPAVSA-N 424.493 5.451 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(C[C@H](C)n4cccn4)n3)c2C)c1 587924130 HDOAQXWDPGMFIG-HNNXBMFYSA-N 408.596 5.940 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12 2356497622 SWGONUIXZUDUSG-UHFFFAOYSA-N 406.478 5.812 10 1 HKCF CC1(C)CCC[C@@]2(C)Oc3c(c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C[C@@H]12 43079336 AWGPELCDBUFEAW-SQJMNOBHSA-N 422.477 5.097 10 1 HKCF biogenic CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)CCc2ccc(O)c(O)c2)c1O 139339623 RIZPXUCTRBUYLR-REZTVBANSA-N 410.510 5.560 10 1 HKCF CCOC(=O)Cc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078584 WOOFLFJIVNXVTG-DMPWYTOCSA-N 407.901 5.148 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277339 TZNVGTXYYPGKKW-YVHKJVDXSA-N 404.470 5.393 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)cc1 587196683 XLADXFJYYHWSIY-UHFFFAOYSA-N 411.391 5.520 10 1 HKCF Cc1cc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)c(C)n1-c1ccccc1F 587922936 ZILMNCFGMAGJFB-UHFFFAOYSA-N 424.544 7.691 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1O)c1ccc(OC)cc1O 963225579 FLOTXPSAIWOOEB-HFJWLAOPSA-N 403.522 5.055 10 1 HKCF Clc1ccc(OCCCn2c3c(c4cc(Br)ccc42)CCNC3)cc1 1857554025 UZOMAVQDHTZSDY-UHFFFAOYSA-N 419.750 5.172 10 1 HKCF O=C1c2ccccc2-c2ccc(/N=[N+](\[O-])c3ccc4c(c3)C(=O)c3ccccc3-4)cc21 3953843 JSNDZHZWPXDSIA-DQSJHHFOSA-N 402.409 6.035 10 1 HKCF in-vitro CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O 587469868 HOZZBERCRKXHMC-SANMLTNESA-N 417.549 6.582 10 1 HKCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CSc2ccccc21 587501821 YSJOZYDBKMZCPU-VWLOTQADSA-N 402.515 5.859 10 1 HKCF COCCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922589 QSMBIPJMKBMPQV-UHFFFAOYSA-N 422.525 6.049 10 1 HKCF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587050327 IIYDVPGJULPLMR-UHFFFAOYSA-N 420.900 5.852 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2O)N1 587714181 VQPOUIPEKPPUAP-XYZCENFISA-N 418.228 5.110 10 1 HKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)OC 26001745 JMTZOXWJTNUHAB-UHFFFAOYSA-N 408.398 5.527 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(Cl)c2Cl)N1 587698424 VHDZYGKIJOHVPX-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF CCCCCOC[C@@H]1C[C@@H](C[C@@H](C)/N=N/c2nc(-c3ccccc3)cs2)C(=O)O1 169687953 MZDDHFAEDSOAAM-DWOLRUNISA-N 415.559 5.811 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587742898 UXWZOWIUYIQXAE-QVPKKETQSA-N 417.366 5.723 10 1 HKCF Oc1ccc2oc(-c3ccc(Cl)cc3)cc2c1CN1CCC(N2CCCCC2)CC1 169349586 HLRZSZQQDFDQKL-UHFFFAOYSA-N 424.972 5.909 10 1 HKCF COc1ccccc1[C@@H]1N=C(c2ccc(C)cc2)C[C@@H](c2cc(Cl)ccc2O)N1 59524357 DIZUXWMTPQQXAR-XUZZJYLKSA-N 406.913 5.585 10 1 HKCF Cc1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc1 201506570 PJHNXCPWKHGOJD-OCEACIFDSA-N 418.478 5.455 10 1 HKCF O=C(O)[C@H]1CCCN(CC/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2)C1 1857635525 VEKOQBBJPGAFHP-JUUQPYPPSA-N 413.521 6.455 10 1 HKCF O=C(/N=N\c1c(O)[nH]c2ccc(Br)cc12)c1ccccc1-n1cccc1 13122238 UXNLIKVLGGBMQI-FCQUAONHSA-N 409.243 5.351 10 1 HKCF Cc1cc(Cl)ccc1OCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587066441 NSIHYWQCYXAWLS-UHFFFAOYSA-N 407.901 5.911 10 1 HKCF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-n3c(C)cc(C=O)c3C)c1)CC2=O 587472121 YOBMXUMRXWEJRI-SANMLTNESA-N 417.505 5.445 10 1 HKCF Cc1ccnc(N[C@H](c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1 103262602 WTBOEJUBSJEKIB-HXUWFJFHSA-N 410.304 6.152 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN=[N+]=[N-])(c2ccc(Cl)cc2)N1 587702282 PALXMRMXBSTZAH-BMLIUANNSA-N 409.690 5.330 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCCC3)cc2)N1 587767228 QVKCRWVDEJENIU-OYHNWAKOSA-N 417.366 5.592 10 1 HKCF COc1cccc(-c2cccc(-n3c(CCC(=O)O)ccc3-c3cccs3)c2)c1 587937788 NUAROLDGUJNZHA-UHFFFAOYSA-N 403.503 5.899 10 1 HKCF CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@@H](c2cccc3c2CCC3)C1 5499099 YGUDWHLZWPTIDY-HSZRJFAPSA-N 406.485 5.600 10 1 HKCF CCOc1cc2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2oc1=O 218182332 XTSNTIXLBJXNND-UHFFFAOYSA-N 415.445 5.515 10 1 HKCF C[C@H](c1ccccc1)[C@H](Nc1nc2ccccc2s1)c1c(O)ccc2ccccc12 169351592 DAAMCHSXHZPFEX-NSYGIPOTSA-N 410.542 7.112 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4csc(C)n4)n3)c2C)c1 587924776 IJRFWLVHKHRDHB-UHFFFAOYSA-N 411.621 6.295 10 1 HKCF CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@H](c2cccc3c2CCC3)C1 5499095 YGUDWHLZWPTIDY-QHCPKHFHSA-N 406.485 5.600 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3 36401323 DDKLBJZRUKOEJA-VIZOYTHASA-N 406.478 6.344 10 1 HKCF biogenic,in-vitro Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587769145 XIOIYEDNGCZWGC-QKKBWIMNSA-N 403.339 5.120 10 1 HKCF COc1cc(O)c2c(=O)c3cc(CC=C(C)CCC=C(C)C)c(O)c(O)c3oc2c1 2356487782 LYHLFIQYBMGNNX-UHFFFAOYSA-N 410.466 5.307 10 1 HKCF CC(C)=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=C(C)C)c(O)c1O 2356671947 QCMXRXGQMHTJNH-HXUWFJFHSA-N 410.466 5.147 10 1 HKCF COc1cc(O)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@@H](C)N(C)[C@@H]2C 36402164 YDUMNUIISWCVDA-HZPDHXFCSA-N 421.537 5.484 10 1 HKCF biogenic Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587767092 QFVLPIGGUVSZOW-QKKBWIMNSA-N 403.339 5.120 10 1 HKCF CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cc1 28568726 HUZDSTZYTXBRMO-JOIJYDSLSA-N 403.566 5.369 10 1 HKCF in-vivo Cn1c(/N=N/C(=C\Cc2cccs2)c2ccc(Cl)cc2)nc2ccccc2c1=O 169720503 DBXOMBIWWMARLL-FSAVSBPTSA-N 420.925 6.016 10 1 HKCF Oc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccc2)cs1 1857543740 SJCGGSAGSQKPHC-QFIPXVFZSA-N 415.493 6.011 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)cc1 587133796 CZGJMGFAQSHXCT-SOFGYWHQSA-N 417.337 5.803 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755687 PWMXEOOWWZKKJV-DMZKTXOQSA-N 413.334 5.619 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Br)cc3[nH]1)N2 587077897 BPOLHIJEGMJCFK-JCGVRSQUSA-N 400.707 5.805 10 1 HKCF Cc1cc2c(cc1C)N[C@H](c1c(O)ccc3ccccc13)[C@@H]1C(=O)CC(C)(C)CC1=N2 1857533982 VGWOVTAJIJFJJF-IZZNHLLZSA-N 412.533 6.407 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(N(C)C)cc1 587511561 HTJLVGYXEVQHFA-AREMUKBSSA-N 414.549 5.745 10 1 HKCF C[C@]1(c2ccc(O)c(CN3CCCCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513876 LOBSADUPLUTLRI-HHHXNRCGSA-N 419.565 5.528 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587724477 IGMABIZBBHGWMP-LRTDBIEQSA-N 421.329 5.125 10 1 HKCF NS(=O)(=O)c1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)cc1 13601087 HPDKFWFFTQAQET-UHFFFAOYSA-N 418.305 5.086 10 1 HKCF CC(C)=CCc1cc(O)c(O)c2oc3cc4c(c(O)c3c(=O)c12)C(C)(C)C(C)(C)O4 238768780 WSFYBAGJGWGONQ-UHFFFAOYSA-N 410.466 5.020 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587739101 FNZXAGKQDUNGMB-LHSJRXKWSA-N 405.355 5.366 10 1 HKCF Cc1cc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)c(C)n1-c1ccccc1F 587922848 XZAWDWUZENTACH-UHFFFAOYSA-N 418.537 6.813 10 1 HKCF COc1c(-c2ccc(O)c(CC=C(C)C)c2)cc(OC)c2c1oc1cc(O)c(O)cc12 72170781 BNLTUQWJGCSQHG-UHFFFAOYSA-N 420.461 5.896 10 1 HKCF biogenic,in-vitro COc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1OC 96285980 WCLKYUKNOPZVAN-OAQYLSRUSA-N 421.884 5.208 10 1 HKCF Cc1c2c(cn1C)[C@]1(C)c3cc(Cl)ccc3N(C)[C@@H]1c1[nH]c3ccc(Cl)cc3c1-2 221770116 KAAWANRWHLWZFV-RPWUZVMVSA-N 422.359 6.599 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccccc1Cl)c1nsnc21 222943955 KUMQAPSAIRXJHW-UHFFFAOYSA-N 408.891 5.271 10 1 HKCF CSc1ncc(CN2CCC(N(C)Cc3ccc(Cl)cc3Cl)CC2)s1 299867408 XYJOKJIOGLMHJD-UHFFFAOYSA-N 416.443 5.268 10 1 HKCF Oc1c([C@H](Nc2nccs2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12 37866034 MPZSZIQKQCFESF-MRXNPFEDSA-N 401.413 5.617 10 3 HKCF CC(C)CCC[C@H](C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 13735423 XQXDURSMCSZFTK-KRWDZBQOSA-N 415.530 5.425 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4o3)cc2)cc1 29129052 YEXOHISZMBDGLW-ONEGZZNKSA-N 402.469 6.080 10 1 HKCF C[C@@H](c1ccccc1)[C@H](Nc1nc2ccccc2s1)c1c(O)ccc2ccccc12 169351591 DAAMCHSXHZPFEX-GKVSMKOHSA-N 410.542 7.112 10 1 HKCF Cc1cccc2c(N=NC(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 617960148 KKSKIEBDJAAZCE-KZBSMTFBSA-N 424.460 5.263 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccs2)[nH]n1 100703010 XYKGXHAXMAAKBS-QURGRASLSA-N 416.260 5.012 10 1 HKCF Cc1cccc(N[C@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccc(C)nc3c2O)n1 202327820 RDXYXFSMJLWUDK-OAQYLSRUSA-N 424.331 6.461 10 1 HKCF Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166398 RQCUBZIKNROXRT-UHFFFAOYSA-N 412.468 6.057 10 1 HKCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Cl 587272952 YBAJQKRPSZSQIY-VFGMZZLHSA-N 410.861 5.268 10 1 HKCF CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)NCC2CCCCC2)cc1 18011318 FIWOJDHHIMLTPK-RQZHXJHFSA-N 422.529 5.021 10 1 HKCF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCc1ccc(O)c(O)c1 27519213 CIAVLFRUWVPAIL-LTKCOYKYSA-N 411.586 6.122 10 1 HKCF CC(C)COC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 27525714 NASHKRBHJQXTQS-UHFFFAOYSA-N 415.493 5.828 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277350 UGWHDOHTQFOWRI-DDBGAENHSA-N 400.360 5.023 10 1 HKCF Cc1cc(C)n(C[C@H](C)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922633 RQZSWMGPJVXEGW-AWEZNQCLSA-N 408.546 5.974 10 1 HKCF CN1c2ccc(Cl)cc2[C@]2(C)c3cn(C)cc3-c3c([nH]c4ccc(Cl)cc34)[C@@H]12 2356712999 VOENECZXFQZIKA-DHIUTWEWSA-N 408.332 6.291 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](Cc3ccco3)C2)ccc1O 28653314 MHWLLNBECBNWIQ-SFHVURJKSA-N 405.523 5.020 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N[C@H]2C 209138356 RFPVCRMXYDYXBF-GJZGRUSLSA-N 407.510 5.142 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768344 UTNQERKPJLYUNT-IVZQSRNASA-N 417.366 5.511 10 1 HKCF CCCCC[C@H](CC(=O)C[C@H](CC(C)C)c1cc(O)c(O)c(OC)c1)OC(C)=O 85624736 JLFRCTSBBQUCTI-FXAWDEMLSA-N 408.535 5.097 10 1 HKCF biogenic,in-vitro O=C(O)c1cccc2c(-c3cccc(F)c3)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587637363 HLFQUZPDBBSZFP-UHFFFAOYSA-N 400.236 6.646 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@H](C)N(C)[C@H](C)C2 1635098 PGHJSNHPVCVQPJ-CVEARBPZSA-N 421.537 5.484 10 1 HKCF biogenic O=C1N=C(c2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2)cc1 84669957 YUCHTRMJODWAEZ-STZFKDTASA-N 405.906 5.980 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4[N+](=O)[O-])n3)c2C)c1 587924062 BQGQUXYGFKQPCC-UHFFFAOYSA-N 421.547 6.515 10 1 HKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2cccc3ccccc23)C1 1772606686 ZITGFXNXTNADJH-DEOSSOPVSA-N 423.541 6.094 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587725923 SXAVWPUEVYMASO-ZSEKCTLFSA-N 421.329 5.125 10 1 HKCF Cc1cc([C@H]2c3ccsc3CCN2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1 962714107 YLLMWFFMMXTABA-XMMPIXPASA-N 422.981 6.550 10 1 HKCF COc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc(O)c(O)c1CC=C(C)C)CC2 14727505 VPRXRGLNLDGXIE-QFIPXVFZSA-N 424.537 5.896 10 1 HKCF biogenic COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)[C@@H](CC=C(C)[C@H]1CC=C(C)C)C2=O 59065553 LTDXHSVIDXPYBK-ZENTWMBTSA-N 424.537 5.661 10 1 HKCF biogenic,in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)c(Cl)cc2O)N1 587691587 GUFQJFWUFSBYSX-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccccc3-c3ccccc3)[nH]c21 587960191 YJQDXSZDTDUQQX-UHFFFAOYSA-N 414.464 5.596 10 1 HKCF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587027664 ZLLSKQIPUPXBFR-UHFFFAOYSA-N 402.479 5.553 10 1 HKCF CCC(C)(C)[C@H]1CCc2sc3ncnc(N=Nc4c(O)[nH]c5ccccc45)c3c2C1 617960313 PYJLQTSCWUASNR-ZDUSSCGKSA-N 419.554 6.835 10 1 HKCF CCOc1cccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](C(C)C)N2)c1O 4729706 OKKJJNGNFXZNBY-GHTZIAJQSA-N 417.347 5.059 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(NC[C@H]3CC(C)(C)N([O])C3(C)C)c2c1 104955541 NWIXXGKQWVJRCA-CQSZACIVSA-N 412.941 5.687 10 1 HKCF Nc1ccc(Oc2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)cc1 587949907 MVVXBGFAPBANJP-UHFFFAOYSA-N 407.473 6.321 10 1 HKCF Cc1oc2ccc(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NC1CCCC1 5182760 MGIYBGODLWDRRL-QYBDOPJKSA-N 424.585 5.520 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@H]12 15268426 FMJIKKXSIVRJGO-LYWOYCCESA-N 410.510 5.358 10 1 HKCF in-man,metabolite Cc1ccc(C(C)C)cc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12 103960098 NDAGTLHKFMSZCN-WCWDXBQESA-N 410.430 5.211 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)CCCC4)[C@H]1CC=C[C@H]21 587275389 DARTZVZEUHWCJM-BSRJHKFKSA-N 400.482 5.485 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(Cl)c2Cl)N1 587696025 OVNSXOVNIKHPFS-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3 2356571014 DDKLBJZRUKOEJA-UHFFFAOYSA-N 406.478 6.344 10 1 HKCF COc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OC 587922077 JLWXRXIILKHNPJ-UHFFFAOYSA-N 408.498 6.041 10 1 HKCF COc1cc(O)c2c(c1-c1ccc(O)c3c(OC)cc(C)cc13)C[C@@H](C)N(C)[C@@H]2C 13359131 ANPZWXGVVSLGLN-HUUCEWRRSA-N 407.510 5.181 10 1 HKCF biogenic CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1 15268465 YCZAHJSVHOSXPX-NSYGIPOTSA-N 410.510 5.502 10 1 HKCF endogenous,in-man C[C@@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2c(c1)OCCO2 169690362 YOLORXWIPRREGH-LAHLFQFHSA-N 416.648 5.356 10 1 HKCF CN(C)c1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2C(N)=S)c2ccccc12 261188710 YHZCISHSXMKUGS-OAQYLSRUSA-N 414.534 5.047 10 1 HKCF CC(C)=CCCC1=CC[C@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]2C1 15268448 BSQZWSGAKJSBOZ-GKVSMKOHSA-N 410.510 5.502 10 1 HKCF endogenous,in-man CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)O1 14660204 DXZNFMDSVMRPKC-VWLOTQADSA-N 404.462 5.092 10 1 HKCF biogenic Nc1ccc(Oc2ccc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3c2)cc1 587164792 AJLXOMZMINALQM-UHFFFAOYSA-N 401.466 6.472 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O 587460872 JDSVCLOHZPZFJP-HSZRJFAPSA-N 409.913 6.112 10 1 HKCF CCCN(CCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742434 RJAIENYSNFBMFW-NYHFZMIOSA-N 419.382 5.838 10 1 HKCF CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5298806 OANPGUJBWMJAIJ-UHFFFAOYSA-N 405.523 5.673 10 1 HKCF CC(C)=CCC/C(C)=C\Cc1c([C@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O 15253958 RCYMAXCAVMNZBM-WWGDACFLSA-N 408.494 5.745 10 1 HKCF endogenous,in-man CC(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 64453884 ZMYQWXIYOQXXDZ-KQWNVCNZSA-N 410.473 5.343 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)O2 587383448 XEQDCOHWGOWNLW-OAQYLSRUSA-N 414.427 5.710 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4cncn4)n3)c2C)c1 587924123 GQLIESWEOMBNOI-CQSZACIVSA-N 409.584 5.335 10 1 HKCF CCC(CC)CC1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 28471157 WGQUOLXZCRGUQA-UHFFFAOYSA-N 405.325 5.731 10 1 HKCF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587011185 IHSZEKGRLDEGTB-UHFFFAOYSA-N 412.518 5.960 10 1 HKCF CCOc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587513822 UQMOYUUVFLTCMC-SANMLTNESA-N 415.533 6.078 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722385 YOCMUUIIJKGSAQ-ZSEKCTLFSA-N 421.329 5.260 10 1 HKCF CCCCN(CCCC)C(=S)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960030 MBKZWADTDFDBPZ-UHFFFAOYSA-N 411.369 5.907 10 1 HKCF COc1cc(O)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N[C@@H]2C 2356491882 RFPVCRMXYDYXBF-HUUCEWRRSA-N 407.510 5.142 10 1 HKCF Nc1ccc(CN[C@H]2CC[C@@H](C(c3ccc(F)cc3)c3ccc(F)cc3)OC2)cc1 103228731 YFHIQNNCHHVSLK-ZEQRLZLVSA-N 408.492 5.016 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OC)cc3)c1C)CC2=O 587472077 XNULXNAXAOYQOX-XMMPIXPASA-N 405.494 5.467 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccccc3c2O)N1 587832646 KHIRUEHANGSPNN-GTJPDFRWSA-N 400.291 5.245 10 1 HKCF Oc1cc(C(F)(F)F)ccc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962629353 JSCXACVTNKHNHT-YKSBVNFPSA-N 424.466 5.247 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)N1 962957166 NTHOOKNUUBLMDN-XGCWNURASA-N 424.500 5.181 10 1 HKCF Cc1cc(CN2CCC3(CC2)OCCc2sccc23)c(C)n1-c1ccc(F)cc1 1857656014 JOUHIYBEDRSIMN-UHFFFAOYSA-N 410.558 5.359 10 1 HKCF CSc1ccc(-c2ccc(C)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 587944398 BMSBGQPSAUGQPP-QHCPKHFHSA-N 405.538 7.140 10 1 HKCF O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccc(Br)cc1 714991 AEFZMCPTOFIIDT-UHFFFAOYSA-N 402.269 5.128 10 1 HKCF Cc1cc(Nc2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c2ccccc2n1 1485860 SKNAOUOYPRJMQV-UHFFFAOYSA-N 416.569 5.184 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccc(F)cc3)C2)ccc1O 28653286 FWKZAPFFXGKRCD-JOCHJYFZSA-N 419.525 5.696 10 1 HKCF Nc1ccccc1NC(=O)c1ccc(CNc2ccccc2/N=N/c2ccccc2)cc1 1857763849 AAQWLCKMOKIZMY-NVQSTNCTSA-N 421.504 6.549 10 1 HKCF Cc1c(OCc2nnc(-c3ccccc3)o2)ccc2c(-c3ccccc3)cc(=O)oc12 16702813 WFVYLYZPHNKKLH-UHFFFAOYSA-N 410.429 5.397 10 1 HKCF Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(F)cc2)N1 20763581 ULZCYVFJYFFIGI-CVDCTZTESA-N 424.859 5.136 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCF)cc4s3)cc2)cc1 29128420 AORKZRRCSSUTIS-ONEGZZNKSA-N 418.537 6.548 10 1 HKCF Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2=O)cc1C 169324904 LURWIRZFUJZCBM-OCOZRVBESA-N 416.437 5.063 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccccc3c2O)N1 587832647 KHIRUEHANGSPNN-LAJNKCICSA-N 400.291 5.245 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc(C)cs4)n3)c2C)c1 587924511 AXUDQCDDVBOMPD-UHFFFAOYSA-N 411.621 6.295 10 1 HKCF CN1C(=O)C[C@H]2CN[C@H](c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c3cccc1c32 963017568 CWHPTYCQTUJPEN-WNSKOXEYSA-N 406.570 5.130 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Br)ncc3[nH]1)N2 587078388 PHEBSHVJYPYUJS-RVPKQNPDSA-N 401.695 5.200 10 1 HKCF Cc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 95592362 OLHCYOVBQYJEIZ-UHFFFAOYSA-N 420.578 5.381 10 1 HKCF COc1ccc(-c2nnc(-c3ccc4nc(CCCCCCN=[N+]=[N-])[nH]c4c3)o2)cc1 587260017 LWDYTAVUXZCPPV-UHFFFAOYSA-N 417.473 5.702 10 1 HKCF CCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587791852 IUIUIFLROMWKGL-FKIZINRSSA-N 408.311 5.096 10 1 HKCF O=C(CCSc1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960057 LEWDBDXLVNVQAH-UHFFFAOYSA-N 404.289 5.429 10 1 HKCF COc1ccc(C/C=C(\N=N\c2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 169720512 KDCHQCSIQQEGPS-RHKPWNPNSA-N 410.477 5.310 10 1 HKCF Cc1cccc(-n2c(C)cc(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)c2C)c1 653851979 PXMLDZAIFHNNKD-UHFFFAOYSA-N 417.641 5.345 10 1 HKCF CNc1ccc2c(Nc3ccc(OCCCC(=O)O)cc3)c3ccccc3nc2c1 26841670 KKSDBHAZXICQLM-UHFFFAOYSA-N 401.466 5.417 10 1 HKCF COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2-c2ccccc2)CC1 29564196 RQSSEWYSSIWKJW-UHFFFAOYSA-N 423.560 5.475 10 1 HKCF CC(C)=CC[C@H]1C(C)=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]12C 104879422 PHFQEHPMSYAMIH-TZPNTHKFSA-N 410.510 5.358 10 1 HKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1ccco1)C[C@H]2c1cccc(Cl)c1 27109785 MIRCXZRWJPSBPS-SFHVURJKSA-N 404.293 5.188 10 1 HKCF Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)C1 219903649 DAQBKTNXRBIXHT-NRFANRHFSA-N 416.521 5.121 10 1 HKCF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587114670 XAIVGIFLELBHSH-AWEZNQCLSA-N 411.427 6.302 10 1 HKCF CC[C@@H](Oc1ccccc1F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587155496 LQQCWOQPBCZRNI-GOSISDBHSA-N 400.409 5.008 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2)N1 587765565 KBLLMNDOUFFCHI-QKKBWIMNSA-N 403.339 5.202 10 1 HKCF Oc1cccc(CCCCCCCCCCCCCCc2cccc(O)c2O)c1O 13377999 FSVHMBMWKKBSAK-UHFFFAOYSA-N 414.586 6.975 10 1 HKCF biogenic,in-vitro O=C(O)c1cc(-n2c(-c3ccc(Br)cc3)cc3c2CCCC3)ccc1O 39194367 HQBLMNQDMHTMST-UHFFFAOYSA-N 412.283 5.189 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](N=[N+]=[N-])C[C@H]1C[C@H]3O 118921322 YKCJFMOBSSZJDJ-JGFDLHJZSA-N 417.594 5.796 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2)N1 587766524 NSHAPQOUKYIKBN-SZNDQCEHSA-N 403.339 5.202 10 1 HKCF Cc1cc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)c(C)n1-c1ccccc1F 587922053 IGVYTJZJURJHJH-UHFFFAOYSA-N 414.509 6.209 10 1 HKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1c1ccccc1 28653349 XOIJLVNDHYUTSR-NRFANRHFSA-N 417.534 5.257 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2ccccc2c1 587514404 XQVJPLBUZGIXFJ-MUUNZHRXSA-N 421.540 6.833 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2O)N1 587692768 HVBYFCSQHSIEEV-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF CC1=C[C@H](CNCc2ccccc2O)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356316442 KQRYMPYFRPEGEB-YTFSRNRJSA-N 417.597 5.764 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCF)cc4o3)cc2)cc1 29128925 QKWZRLGUEVMGBL-ONEGZZNKSA-N 402.469 6.080 10 1 HKCF Cc1ccnc(N[C@H](c2ccc(Cl)c(Cl)c2)c2ccc3ccc(C)nc3c2O)c1 103262606 SMBYLHNICQGSGM-OAQYLSRUSA-N 424.331 6.461 10 1 HKCF CCCN(CCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741695 OLKNLBKWNAUJRG-QRQCRPRQSA-N 419.382 5.838 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCCC3)cc2)N1 587769858 ZODQRGXNYBDXFR-NYHFZMIOSA-N 417.366 5.592 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(Cl)c3)c1C)CC2=O 587463556 VRBRUQZSEGDZDH-QHCPKHFHSA-N 409.913 6.112 10 1 HKCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(Cl)cc1 169330587 JMQRSYMZIKAQIF-QURGRASLSA-N 404.282 5.806 10 1 HKCF CC(C)(C)[C@H]1COc2c(NCCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 1908345 FUVVDCPSQIWBOV-HSZRJFAPSA-N 414.549 5.791 10 1 HKCF COc1ccc(-n2c(C)cc(/C=C3\SC(Nc4ccccc4)=NC3=O)c2C)cc1 208660713 KXIVXNPEYYNDHE-STZFKDTASA-N 403.507 5.185 10 1 HKCF COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@H]1N2CC=C(C)C 253667038 KEWZWBIFZYMPPG-WUFINQPMSA-N 416.609 6.308 10 1 HKCF Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587638717 UETFQCGGVMKEGZ-UHFFFAOYSA-N 417.484 5.680 10 1 HKCF C[C@H](/N=N/c1ccccn1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 169694200 NYJXSYHUDLNAMK-FSJRDOOXSA-N 411.444 5.247 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2O)N1 587694656 PVLITZZMLRONNL-ZIDLFYJRSA-N 405.094 5.224 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2c(Cl)cccc2s1)c1ccccc1 169351672 FZWLXWPBPDEJRL-JOCHJYFZSA-N 416.933 7.010 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 64416732 YKCJFMOBSSZJDJ-UZVSRGJWSA-N 417.594 5.796 10 1 HKCF O=C(CCc1ccccc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28460794 OLFTWEWZMRTWBR-IZZDOVSWSA-N 411.457 5.338 10 1 HKCF CSc1ccc(-n2c(-c3ccc(C)cc3)cc(CN3CCSCC3)c2C)cc1 64453950 YPDSVDYCDCMQDY-UHFFFAOYSA-N 408.636 6.032 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2O)N1 587692767 HVBYFCSQHSIEEV-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c(C)cncc4C)n3)c2C)c1 587924442 YRKKFLRLMKOTFS-UHFFFAOYSA-N 405.592 6.618 10 1 HKCF CCN1/C(=C/C=C/c2nc3nc4ccccc4nc3n2CC)C(C)(C)c2ccccc21 27547396 MLBNDPGSCNOWJZ-SUHZKUFFSA-N 409.537 5.714 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587272186 PFCIVGVFHLUKBI-VBHSOAQHSA-N 415.280 5.913 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5nonc5c4)n3)c2C)c1 587924086 DCBNBCKYKAUNEN-UHFFFAOYSA-N 418.547 6.143 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(F)c(C)c4)n3)c2C)c1 587924421 XRRZTXIBVUETLJ-UHFFFAOYSA-N 408.567 7.054 10 1 HKCF COc1cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)cc(O)c1O 2356641154 FVCCWDPZVDDONS-UHFFFAOYSA-N 412.614 7.795 10 1 HKCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Cl 587272941 YBAJQKRPSZSQIY-KQHSUYLTSA-N 410.861 5.268 10 1 HKCF CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OC 5713718 IKXHPEKFSRYOHI-IDUWFGFVSA-N 405.281 5.207 10 1 HKCF CCCN(CCCCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1 474609150 OMHCFMMNQAVKBC-BYYHNAKLSA-N 414.500 5.418 10 1 HKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc(C)ccc23)cc1)OC 26003785 DSZBSRAIULPNSO-UHFFFAOYSA-N 407.410 6.253 10 1 HKCF CCCn1c(CN2CCN(c3ccccc3OC)CC2)ccc1-c1ccc(F)cc1 84462300 OHWHMRUDEFTPDT-UHFFFAOYSA-N 407.533 5.035 10 1 HKCF CCCCNc1ccc(O)c([C@@]2(C)c3ccsc3CCN2Cc2cccn2C)c1 962399469 QIYKXJBJRNQERP-XMMPIXPASA-N 409.599 5.326 10 1 HKCF CCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(SC)cc2)cc1 64454378 YNFHXOPDIGAFSJ-UHFFFAOYSA-N 422.663 6.286 10 1 HKCF O=C(/C=C/c1cccc(F)c1)NCCCCNc1c2ccccc2nc2ccccc12 95584740 CZRJZPLXFYHIRK-CCEZHUSRSA-N 413.496 5.549 10 1 HKCF Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1-c1ccccc1F 147979686 CDXCAADOCKYKRJ-UHFFFAOYSA-N 419.525 5.216 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4ccccc4c(Cl)n3)[nH]c21 587085787 HWQPMCBMBBVOCR-UHFFFAOYSA-N 409.832 5.207 10 1 HKCF Oc1ccc2cc(Br)ccc2c1[C@H](c1cccs1)N1CCCCC1 653723561 AJWQLWVAXUCYKI-FQEVSTJZSA-N 402.357 5.945 10 1 HKCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N(C)[C@H]3C)c2cc(C)cc(OC)c12 2356723935 XPNIPHCKKGOJOU-GJZGRUSLSA-N 407.510 5.181 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccc(Cl)cc1 169351668 NEHQVLMIYZJPDF-HSZRJFAPSA-N 416.933 7.010 10 1 HKCF Cc1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587757438 VOSBLDZPBPGDBI-XUSGNXJCSA-N 401.323 5.320 10 1 HKCF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587952704 VVZSPCVFUJCXSZ-SIFCLUCFSA-N 402.494 5.385 10 1 HKCF COc1ccccc1[C@H]1N=C(c2ccc(C)cc2)C[C@@H](c2cc(Cl)ccc2O)N1 59524356 DIZUXWMTPQQXAR-URXFXBBRSA-N 406.913 5.585 10 1 HKCF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078676 ZFTFTKLCVJUYRI-JKDFXYPNSA-N 407.798 6.201 10 1 HKCF Oc1cc2c3c(c1O)CC[C@H]1CCC[C@@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356362758 DSHMSNCQXQWAFC-WZQKQDCOSA-N 416.473 5.296 10 1 HKCF Cc1ccc(-c2ccccc2OCc2ccc(F)cc2F)n1-c1ccc2n[nH]nc2c1 28822658 NXJRKENDPFGNDL-UHFFFAOYSA-N 416.431 5.581 10 1 HKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2cc(Cl)ccc2-3)ccc1O 39194399 XFVGDFAOOFRMER-UHFFFAOYSA-N 415.876 5.967 10 1 HKCF CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1 95581515 KWDXOIZSYUMTSI-UHFFFAOYSA-N 422.657 6.411 10 1 HKCF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587214487 AXYZAHCKOAJKHU-JHMYFXNZSA-N 413.561 5.138 10 1 HKCF COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2cccs2)cc1 45365113 MQJDIIHISGDZNL-IBGZPJMESA-N 409.536 5.010 10 1 HKCF C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 96172873 AJTYZDMTVCWADI-GOSISDBHSA-N 405.538 5.216 10 1 HKCF O=C(COc1ccc2ccccc2c1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 100702976 DAAHXSKYYQRYDK-WCWDXBQESA-N 424.254 5.479 10 1 HKCF Cc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n(C)c2c1 587755002 NOSBIKUUUNGVRL-LAJNKCICSA-N 401.323 5.320 10 1 HKCF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O 963125759 TVVFKIYJPHAVPA-OAQYLSRUSA-N 414.288 5.299 10 1 HKCF COc1ccc(-n2c(C)cc(CN3CCC4(CC3)OCCc3sccc34)c2C)cc1 653919135 SKYPEZIEIFQUKV-UHFFFAOYSA-N 422.594 5.228 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc13)CCC(C)(C)O2 238766200 RZSZTRJSYGLKEM-UHFFFAOYSA-N 422.477 5.189 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 587195393 JTSSVOCUPSZQJZ-UHFFFAOYSA-N 420.860 6.273 10 1 HKCF COc1ccc(-c2cn(Cc3ccc(O)c(O)c3)cc2-c2ccc(OC)cc2)cc1 1772616155 XPZUJRPHVRWMRQ-UHFFFAOYSA-N 401.462 5.299 10 1 HKCF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CNCc1ccc2c(c1)CCO2 36286629 HRRMGINFYKKNFQ-UHFFFAOYSA-N 416.304 5.716 10 1 HKCF Cc1ccc([C@H](NC(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(O)ccc3ccccc23)cc1 95596237 VQFJZXKRMYXTAJ-MHPIHPPYSA-N 402.538 5.631 10 1 HKCF O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(F)(F)F 169312072 RNYQWKBESHNHDM-UHFFFAOYSA-N 423.229 5.651 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3c2)cc1 587093256 KUFJHNHHPZUQRG-UHFFFAOYSA-N 416.428 5.654 10 1 HKCF CCCN1CCCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587764955 HPUYTFFTOAEUHD-PEBXRYMYSA-N 417.366 5.374 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc(Br)s2)[nH]n1 617960077 QQAHJRVUVLSKIS-UHFFFAOYSA-N 416.260 5.012 10 1 HKCF Cc1cc2c(cc1C)N[C@@H](c1c(O)ccc3ccccc13)[C@@H]1C(=O)CC(C)(C)CC1=N2 1857533983 VGWOVTAJIJFJJF-UIOOFZCWSA-N 412.533 6.407 10 1 HKCF CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]21 2356462823 GJGBWBJTIMMKNO-NGXZDTIWSA-N 414.542 5.381 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cc(C)ccc4C)n3)c2C)c1 587924144 IAMUWBRKQROKDG-UHFFFAOYSA-N 418.631 7.147 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2O)N1 587712063 NJJAWASGTFIESX-XYZCENFISA-N 418.228 5.110 10 1 HKCF CC(C)=CCCC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 2356508544 ILCMVLORKWIOOH-QFIPXVFZSA-N 424.493 5.451 10 1 HKCF FC(F)(F)Oc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078247 MELNJSFQBOKMLT-JKDFXYPNSA-N 405.807 5.941 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C(C)=O)c3)c1C)CC2=O 587471214 OWYKCVNMEXFIED-RUZDIDTESA-N 417.505 5.661 10 1 HKCF Cc1cc(-c2csc([C@H](C)Cn3cc(Cl)cn3)n2)c(C)n1-c1ccccc1F 587922247 MDTIWWXWYTZSQO-CYBMUJFWSA-N 414.937 6.010 10 1 HKCF Cc1c(Cl)ccc2c1NC(=O)C2(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 28883946 VEBHVJQXHVWCSX-UHFFFAOYSA-N 419.956 5.067 10 1 HKCF Cc1cccc(-c2ccccc2)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586879472 RQSKCKXWJHRTJQ-UHFFFAOYSA-N 414.464 5.981 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 587377979 LNMVCPAEVHOOFX-OAQYLSRUSA-N 415.320 5.998 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O 587472027 WVNMTRSUYZCSGO-AREMUKBSSA-N 415.533 5.947 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2O)N1 587712384 PFKPDTCVXUCVAN-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)ccc2O)N1 587822214 LTMYRPZWMXLRAY-XMHCIUCPSA-N 412.302 5.584 10 1 HKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc3ccccc3c2)cc1 73199845 LFXHYLDJPDWNPA-UHFFFAOYSA-N 421.589 6.627 10 1 HKCF Cc1cccc2c(Nc3ccc(OCCCCC(=O)O)cc3)c3ccccc3nc12 169322382 QGXPQUZGUKLABM-UHFFFAOYSA-N 400.478 6.074 10 1 HKCF C[C@@H](/N=N/c1ccccn1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 169694198 NYJXSYHUDLNAMK-FSGUPOOJSA-N 411.444 5.247 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3)cc2O)N1 587819920 CCVYQNQPGAINCL-MCMMXHMISA-N 412.302 5.584 10 1 HKCF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587927054 NIYZNQFRKFZUGZ-IBGZPJMESA-N 403.482 5.497 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OC[C@H]2CCCO2)n1-c1cccc(C(=O)O)c1 40762613 HSDKKACNZVIDJB-LJQANCHMSA-N 411.885 5.362 10 1 HKCF COc1ccc2[nH]cc(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c2c1 40877668 OILTUMHJBKNARM-UHFFFAOYSA-N 407.473 5.568 10 1 HKCF CCc1ccc(-n2c(-c3ccc(SC)cc3)cc(CN3CCSCC3)c2C)cc1 64437103 NFXQXSBKNGTIEG-UHFFFAOYSA-N 422.663 6.286 10 1 HKCF in-vitro CC(C)=CCCC(C)=CCc1c(O)c(O)cc2c1oc1oc3cc(O)ccc3c(=O)c12 2356754001 WPDUQFCORDILFF-UHFFFAOYSA-N 420.461 6.044 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(C)C)cc4)n3)c2C)c1 587924314 RMVWBWZJDQXBLR-UHFFFAOYSA-N 418.631 7.730 10 1 HKCF CCCCC[C@H](CC(=O)C[C@@H](CC(C)C)c1cc(O)c(O)c(OC)c1)OC(C)=O 2356350767 JLFRCTSBBQUCTI-YLJYHZDGSA-N 408.535 5.097 10 1 HKCF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)CN(CCc1ccccc1)C2=O 2356404027 AYUFSIRZXDWSDR-UHFFFAOYSA-N 419.565 5.835 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O 587471769 ULZYMWKFPHTVHG-RUZDIDTESA-N 419.521 5.857 10 1 HKCF COc1ccccc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924364 URMBXVBODPBMFZ-UHFFFAOYSA-N 406.576 6.615 10 1 HKCF COc1ccc2c(c1OC)[C@H](c1cc(-c3ccccc3)cc(Cl)c1O)N(C)[C@@H](C)C2 962635472 RQCYGRVRGXUYME-WNSKOXEYSA-N 423.940 5.696 10 1 HKCF Cc1c2c(cn1C)[C@]1(C)c3cc(Cl)ccc3N(C)[C@H]1c1[nH]c3ccc(Cl)cc3c1-2 2356712674 KAAWANRWHLWZFV-ZEQRLZLVSA-N 422.359 6.599 10 1 HKCF CCOc1cc(C/N=N/c2cccc(C(=O)O)c2)ccc1OC(=O)c1ccccc1 169688476 LUHCGKMEANJABW-OCOZRVBESA-N 404.422 5.287 10 1 HKCF CC(C)c1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219722217 FWGYKUOTXCJSBD-UHFFFAOYSA-N 416.527 5.741 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)cc1 587196874 ZUDRXJBFQZOVDU-UHFFFAOYSA-N 411.296 6.413 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Cl)cc2O)N1 587691828 ISBQWZJSSOWQEM-HYORBCNSSA-N 405.094 5.224 10 1 HKCF Cc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1ccc(N(C)C)cc1 962671300 UETXBKGGCHOAEW-LJAQVGFWSA-N 421.588 6.062 10 1 HKCF O=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71280545 VGJNRXMQJWJBGI-OAQYLSRUSA-N 409.445 5.039 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)c(F)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277268 RSKWPBIKPDAEPA-GBNMTWHSSA-N 418.350 5.162 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(Cl)cc2O)N1 587691827 ISBQWZJSSOWQEM-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(Cl)c2Cl)N1 587696020 OVNSXOVNIKHPFS-GYKQLYQFSA-N 405.094 5.224 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945145 JYAUOBITVGJVDT-FQEVSTJZSA-N 423.509 6.188 10 1 HKCF CC(C)=CCC/C(C)=C\C[C@@]12O[C@@]1(CC=C(C)C)C(=O)c1c(O)cc(O)cc1C2=O 100308561 HKGKESKEIDMUJE-DLCMZVJGSA-N 410.510 5.424 10 1 HKCF in-vitro COc1cc2c(cc1OC)[C@H](c1cc(C)n(-c3cccc(C)c3)c1C)N(C)[C@@H](C)C2 962619623 FOEBUCYZIXLNMD-QLXKLKPCSA-N 404.554 5.386 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]21C 15268477 PHFQEHPMSYAMIH-LEHBWIKQSA-N 410.510 5.358 10 1 HKCF endogenous,in-man CSc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1 59096163 UULZVHSCPMWVSZ-UHFFFAOYSA-N 412.599 5.863 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC(C)C4)cc3)C2)cc1 96172998 QRMDRCQCNYOHGE-OBXNSHGQSA-N 407.554 5.462 10 1 HKCF Oc1ccc2oc(-c3ccccc3Cl)cc2c1CN1CCC(N2CCCCC2)CC1 169349583 GORDYVMVVZGGPI-UHFFFAOYSA-N 424.972 5.909 10 1 HKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4cccc(C)c4)c4ccccc14)[C@@H](C2)C3=O 587430353 GZUQQHMHGZKTFE-DWACAAAGSA-N 423.512 5.804 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccccc3)ccc2O)N1 587822606 PREHCOKKPGNSOF-XMHCIUCPSA-N 412.302 5.584 10 1 HKCF Cc1c(O)cccc1CCC=CCC=CCCCCCCCc1cccc(O)c1O 2356449782 XYPNUVLQCJMRLN-UHFFFAOYSA-N 408.582 7.130 10 1 HKCF CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5138380 ANHFDPAFFBCCIO-UHFFFAOYSA-N 419.550 6.064 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C(=O)O)c4)n3)c2C)c1 587924410 XDUNDICUKRMYSE-UHFFFAOYSA-N 420.559 6.305 10 1 HKCF CCOc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCCC3)cc1 37867027 NVUMGOIHMLLXNY-UHFFFAOYSA-N 407.539 5.285 10 1 HKCF Cc1ccc(Cn2c(C)c([C@H]3NCCc4nc5ccccn5c43)c3ccccc32)cc1 962992934 ZLCGRCSSIFUGLS-AREMUKBSSA-N 406.533 5.189 10 1 HKCF COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)[C@H](C)C2 40933058 QRORZUAXTXEKKG-SJORKVTESA-N 421.537 5.695 10 1 HKCF biogenic Oc1ccc(Br)cc1C/N=N/c1nc(-c2ccc(Cl)cc2)cs1 169722294 CNKLWSJQRPWISU-XUTLUUPISA-N 408.708 6.216 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587195786 NEKXFSHNNXIPSN-UHFFFAOYSA-N 411.296 6.413 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1F 587501131 AJXCLFSKXIEBQJ-XMMPIXPASA-N 407.460 5.958 10 1 HKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Br)c1 587939856 GAGBQMAOHUFBIN-UHFFFAOYSA-N 424.747 5.272 10 1 HKCF Cc1cc(C)cc(-n2c(C)cc([C@@H]3c4cccc(Br)c4CCN3C)c2C)c1 963269897 MHISQNFOPZIRKQ-DEOSSOPVSA-N 423.398 6.051 10 1 HKCF CC(C)=CCCC1=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]2C1 15268441 BSQZWSGAKJSBOZ-SSOJOUAXSA-N 410.510 5.502 10 1 HKCF endogenous,in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2O)N1 587709447 AAWHYTFKZDUDED-HUTHGQBESA-N 418.228 5.110 10 1 HKCF CCOC(=O)[C@@H](C)c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924303 QOLAZKYIMWWDCC-AWEZNQCLSA-N 400.569 5.606 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O)c1O 143018727 TTXMLQXTLSWLTD-VIZOYTHASA-N 422.477 5.518 10 1 HKCF CCOc1ccc(-c2n[n+]3c4ccc(C)cc4ccc3c3ccc4ccccc4c23)cc1 13559577 OYEVVYGDZPALDG-UHFFFAOYSA-N 415.516 6.654 10 1 HKCF O=C(O)c1ccc2cc(-c3cc(O)c(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 13815443 LEMXDRXEMLLNTP-UHFFFAOYSA-N 414.501 6.084 10 1 HKCF C[C@H](/N=N/c1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 169694196 REKPRQTZCBIEQC-UNMOGBHFSA-N 410.456 5.852 10 1 HKCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)F)o1 1857606525 JRMRWNYTQKOBHT-UNOMPAQXSA-N 422.387 5.389 10 1 HKCF Oc1cc2c3c(c1O)CC[C@@H]1CCC[C@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 85569207 DSHMSNCQXQWAFC-QWXGXRTQSA-N 416.473 5.296 10 1 HKCF biogenic,in-vitro COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(OC)c3c(O)cc(C)cc13)[C@@H](C)C2 2356867482 WSFDLISXQFZWRH-HOTGVXAUSA-N 407.510 5.392 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@@H](C)N(C)[C@H](C)C2 6484422 PGHJSNHPVCVQPJ-HZPDHXFCSA-N 421.537 5.484 10 1 HKCF biogenic CSc1ccc(-c2ccc(C)n2-c2cc(OC(C)C)c(Cl)cc2Cl)cc1 587943084 LEECDHNXXWXKRS-UHFFFAOYSA-N 406.378 7.269 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)nc3[nH]1)[C@H]1CC=C[C@@H]21 587277562 YKHPYJWWNGUMQW-SIFCLUCFSA-N 403.486 5.299 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)[nH]1 169730171 SAPAGOPPQOWOKE-AOITYGGZSA-N 410.886 6.488 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2O)N1 587714180 VQPOUIPEKPPUAP-XLFHBGCDSA-N 418.228 5.110 10 1 HKCF Cc1cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)c(C)n1-c1ccccc1F 587922827 XKXNLYFKVLJMHQ-UHFFFAOYSA-N 417.336 7.331 10 1 HKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(C)cc2O)(c2ccccc2Cl)N1 962942868 CQSJQWTTXANFFM-QLXKLKPCSA-N 416.952 6.052 10 1 HKCF CCN(CC)c1ccc([C@H]2N3CCCC[C@H]3[C@@H]3c4[nH]c5ccccc5c4CCN23)cc1 19319252 HGNUXCZTXYRJAG-OIKPOIBNSA-N 414.597 5.480 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)N2 587078025 FNMUDSKXABSRQV-GLDPYIMESA-N 413.908 6.835 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587271352 AXZIGGUYPLTICE-TYILLQQXSA-N 414.387 5.625 10 1 HKCF Cc1cc(-c2csc(-c3cccc(-n4cccc4)c3)n2)c(C)n1-c1ccccc1F 587922560 QFTXPPBKIDXZGB-UHFFFAOYSA-N 413.521 6.814 10 1 HKCF CCCCN(CCCC)C[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40380208 NVDPDKLDQVAAAQ-VWLOTQADSA-N 424.629 5.281 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O 587470535 KTGWMFPJLRAWMV-HSZRJFAPSA-N 419.477 5.157 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1O)c1ccc(OC)cc1O 963225578 FLOTXPSAIWOOEB-DWXRJYCRSA-N 403.522 5.055 10 1 HKCF O=C1c2ccccc2C(=O)c2c1c1cc(O)ccc1n2Cc1ccc(Cl)cc1Cl 1662853 YFVWMDSMNVQAIJ-UHFFFAOYSA-N 422.267 5.477 10 1 HKCF CN(C)c1ccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)cc1 64485753 STYVIJRTQDQWFD-UHFFFAOYSA-N 414.486 6.141 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(N=Nc3ccccc3)ccc1O)CC2=O 587469202 LCUHVDSTPGKZBI-QHCPKHFHSA-N 402.450 6.172 10 1 HKCF Cc1ccc(-c2cc3c(n2-c2c(N)cccc2Br)CC(C)(C)CC3=O)cc1 587935729 FISGEYMGTUEMOD-UHFFFAOYSA-N 423.354 5.953 10 1 HKCF CCOc1ccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)cc1-n1c(C)ccc1C 653724805 YDVUQNJIGSUDND-LJQANCHMSA-N 421.493 5.023 10 1 HKCF CC(C)=CCC/C(C)=C\Cc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O 15253954 RCYMAXCAVMNZBM-LMRWOHPRSA-N 408.494 5.745 10 1 HKCF endogenous,in-man CC1CCN([C@@H](c2ccc(Br)s2)c2c(O)ccc3ccccc23)CC1 653711469 KCOFMSWKUXIXJA-NRFANRHFSA-N 416.384 6.191 10 1 HKCF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(=S)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169684295 YPTNNZSEZSAFKA-YZIIXHOYSA-N 403.632 5.109 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(SCc1ccc(Cl)cc1)c1nsnc21 222955038 VIYNJXZKCRYBGZ-UHFFFAOYSA-N 422.918 5.412 10 1 HKCF COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151533 JOKJMQHCVVMSMH-QAJFTPDKSA-N 400.272 5.013 10 1 HKCF Clc1cncc(Cl)c1/N=N/Cc1ccccc1-c1c(Cl)cccc1Cl 169719156 KRRXHBRDVAYWCE-OCOZRVBESA-N 411.119 7.646 10 1 HKCF CC1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587766744 HLNYODGJMDBHAN-NYHFZMIOSA-N 417.366 5.448 10 1 HKCF Nc1ccccc1NC(=O)c1ccc(CNc2ccc(/N=N/c3ccccc3)cc2)cc1 1857761806 NEACFMOTRHRRKF-NVQSTNCTSA-N 421.504 6.549 10 1 HKCF CCOc1cccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](C(C)C)N2)c1O 4729707 OKKJJNGNFXZNBY-WIYYLYMNSA-N 417.347 5.059 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc1 587196862 ZLGDMXSJFVTMDN-UHFFFAOYSA-N 422.290 5.215 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 587497384 ALKCZMHNRKNYPM-DEOSSOPVSA-N 405.925 6.333 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)OC(C)C)n3)c2C)c1 587924085 DCABGGOUKYJWQX-UHFFFAOYSA-N 400.569 5.434 10 1 HKCF Cc1ccc(O)c2c1[C@@H](C)C[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949161 BQFRITHLZDDVJC-NPMXOYFQSA-N 417.471 5.122 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)cc1 587195050 FNDKDBYGXQWNQS-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N(C)[C@@H]3C)c2cc(C)cc(OC)c12 2356723937 XPNIPHCKKGOJOU-LSDHHAIUSA-N 407.510 5.181 10 1 HKCF CC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c(O)c1CC=C(C)C 14727552 TVXYDDJFAOWCAE-QFIPXVFZSA-N 424.493 5.233 10 1 HKCF biogenic COc1ccccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512836 OWGWMNPLWGSAQB-RUZDIDTESA-N 401.506 5.688 10 1 HKCF O=P1(Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)OCCCO1 28240779 TYTDLOVNQDMRTM-UHFFFAOYSA-N 405.394 6.089 10 1 HKCF CC(=O)OCc1cc2c(c(O)c1O)[C@H](C)C[C@@H](OC(C)=O)[C@H]2[C@@H](C)CCC=C(C)C 1772656531 HCXFGBUNINQDLC-RSMHBEIYSA-N 418.530 5.066 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H]3CC(C)(C)N([O])C3(C)C)c2c1 104955543 NWIXXGKQWVJRCA-AWEZNQCLSA-N 412.941 5.687 10 1 HKCF COc1ccc(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)c3occc23)c(C)c1 61927103 DPHXYKNWHYUTSG-UHFFFAOYSA-N 414.505 5.413 10 3 HKCF Nc1c(/N=N/c2ccc(-c3ccccc3)nc2)cc(S(=O)(=O)O)c2ccccc12 201504203 NHKQRNNNMGBEIO-OCOZRVBESA-N 404.451 5.146 10 1 HKCF Cc1cc(-c2csc(-c3ccc(N4CCCC4)nc3)n2)c(C)n1-c1ccccc1F 587922266 MWFUOTQQNXQUIT-UHFFFAOYSA-N 418.541 6.019 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)c(O)c1)CC3=O)C=CC(C)(C)O2 32297054 MUADCOGGQPLCBH-FQEVSTJZSA-N 422.477 5.203 10 1 HKCF biogenic,in-vitro CCCCCCc1cc2c(C)cc3c(c2o1)C(=O)c1c(OC(C)C)cccc1C3=O 473084130 QMTPZLAYDKENCT-UHFFFAOYSA-N 404.506 6.427 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)cc1 587266194 WRTNTKSEAKEOBH-UHFFFAOYSA-N 412.405 5.773 10 1 HKCF C[C@@]1(c2cccc(F)c2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817829 QIIRZIHYCRRETC-VWLOTQADSA-N 402.469 5.001 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O 587470542 KVQGLAPNPMXVJZ-VWLOTQADSA-N 403.522 6.076 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587725920 SXAVWPUEVYMASO-ASSNKEHSSA-N 421.329 5.125 10 1 HKCF Cc1cc(-c2c(F)cc3/c(=N/c4ccccc4O)ccn(C4CC4)c3c2F)cc(C)n1 1484048 LEAZIPJRHQLPNZ-ZTKZIYFRSA-N 417.459 5.871 10 1 HKCF CN(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 13681711 HUZDSTZYTXBRMO-GJXRYDKJSA-N 403.566 5.369 10 1 HKCF in-vivo CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 27200652 RRBLEGHOJHZZGL-UHFFFAOYSA-N 420.538 5.325 10 1 HKCF Cc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br 587078173 JXLMTLLONRHMNA-QUJCMNEKSA-N 414.734 6.114 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)cc1 587134874 PUGIUYADRKPZCZ-UHFFFAOYSA-N 405.376 5.450 10 1 HKCF Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 13760760 RTMVHAXQDGDXHK-UHFFFAOYSA-N 400.566 5.677 10 1 HKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1c1ccccc1 28653346 XOIJLVNDHYUTSR-OAQYLSRUSA-N 417.534 5.257 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)C1C(=O)c2ccccc2C1=O 963234763 VRWRCNNBFOIICI-GDJIYFAZSA-N 409.529 5.282 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1ccccc1C(=O)C(=O)[C@@H]2CC=C(C)C 963245127 ZOVHPKQCTRGXEG-WMEMMNBJSA-N 401.550 5.325 10 1 HKCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)Nc1ccc(F)cc1 1857774651 WIYPRULFGYFRDS-XCVCLJGOSA-N 405.381 5.008 10 1 HKCF O=C(NCc1ccc(N2CCCCCC2)cc1Cl)Nc1cccc2cnccc12 14973472 INVLGFLJKDGUAL-UHFFFAOYSA-N 408.933 5.590 10 1 HKCF Cc1c(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cccc1C(F)(F)F 40394862 LNEGIXUMKCYNOV-DHDCSXOGSA-N 423.437 5.118 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc1 587196593 WIZNGMAEMRONJP-UHFFFAOYSA-N 407.528 5.079 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 587510525 AUGQRCRDGSMLIQ-DEOSSOPVSA-N 415.489 5.378 10 1 HKCF CC[C@@H]1CCC[C@]12CC(c1cc(O)c(O)c3c(O)cccc13)=Cc1cc(O)c(O)cc12 2356761578 PLJPZXRNBKWHMH-DXPJPUQTSA-N 418.489 5.760 10 1 HKCF CC(C)C(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(N(C)C)cc1 102419323 SUKTZWIMQLHZJD-XMMPIXPASA-N 403.526 5.565 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OCC)cc3)c1C)CC2=O 587471770 ULZYMWKFPHTVHG-VWLOTQADSA-N 419.521 5.857 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)CC2=O 587472029 WVNMTRSUYZCSGO-SANMLTNESA-N 415.533 5.947 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(OC)ccc3O)cc2)c(F)c1 1911573851 OPAFVYGOTKUQTG-HNNXBMFYSA-N 409.457 5.096 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(C)C)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277337 TZNVGTXYYPGKKW-JKSBSHDWSA-N 404.470 5.393 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2O)N1 587696705 QZLGZBLWWBXHHB-WNWIJWBNSA-N 419.121 5.398 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)C12CC3CC(CC(C3)C1)C2 617960106 NNIYURQOIYEFMU-UHFFFAOYSA-N 402.292 5.463 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cccc(OC)c3O)cc2)c(F)c1 1911574610 ISOHBQWLWWQROD-OAHLLOKOSA-N 409.457 5.096 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O 2356667983 YOYLZCNREONCKB-UHFFFAOYSA-N 406.478 5.122 10 1 HKCF Oc1cc2c3c(c1O)C=C[C@@H]1CCC[C@@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356770989 NDBSHPLPNRXPTH-HAWMADMCSA-N 414.457 5.377 10 1 HKCF O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587500757 OCHOKZFNEFDMFD-VWLOTQADSA-N 420.892 5.539 10 1 HKCF O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1 43121945 WHILQKLIXRFBIM-XSFVSMFZSA-N 416.864 5.715 10 1 HKCF CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc(Br)ccc3O)C2=C(O)C1 103996837 NOINKWMDEHLCMX-FQEVSTJZSA-N 413.315 6.026 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c21 587073421 IKGJPPVZECYXGR-UHFFFAOYSA-N 412.876 5.266 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)c1 963099605 APNOCKKFHHHEJH-ATIYNZHBSA-N 402.513 5.330 10 1 HKCF O=C1c2ccccc2-c2ccc(/N=[N+](/[O-])c3ccc4c(c3)C(=O)c3ccccc3-4)cc21 100136502 JSNDZHZWPXDSIA-BYYHNAKLSA-N 402.409 6.035 10 1 HKCF in-vitro CC(C)=CCCC(C)=CCc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O 2356559621 FVNFXIPJDHVJGE-UHFFFAOYSA-N 410.510 5.560 10 1 HKCF CC1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587766748 HLNYODGJMDBHAN-QRQCRPRQSA-N 417.366 5.448 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(COc4ccccc4)n3)c2C)c1 587924434 YFPLFHYIOGXPLM-UHFFFAOYSA-N 406.576 6.519 10 1 HKCF O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cc2ccccc2nc1Cl 1857571824 PKEWZAMRYQVLGB-PXLXIMEGSA-N 409.872 6.537 10 1 HKCF CCC(C)(C)c1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857744419 SLGSTTFVPOMPGE-UHFFFAOYSA-N 415.489 6.900 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587822526 OWLBVUQVKCIDSW-WLRWDXFRSA-N 420.322 5.027 10 1 HKCF COc1cc(O)ccc1CCCc1cc(O)c(O)c(CC=C(C)C)c1CC=C(C)C 40872765 BUWRWZUUCOLPSX-UHFFFAOYSA-N 410.554 6.005 10 1 HKCF biogenic,in-vitro COc1ccc2nc(-c3ccc(-n4c(C)ccc4-c4ccc(F)cc4)cc3)sc2c1 96933009 BGUHHROQEMBFPC-UHFFFAOYSA-N 414.505 6.877 10 1 HKCF Oc1c([C@@H](Nc2ccccc2)c2ccccc2)cc(Br)c2cccnc12 653798436 UIXGMYABTQOJEK-FQEVSTJZSA-N 405.295 5.904 10 1 HKCF CCN(CC)Cc1c(O)c(F)c(F)c(Nc2ccnc3cc(Cl)ccc23)c1F 28769362 PQBLBDFJROEZLD-UHFFFAOYSA-N 409.839 5.597 10 1 HKCF Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C/N=N/c1cccc(C(=O)O)c1 169688459 VDDQERKUTPJNQS-OCOZRVBESA-N 422.794 5.835 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC(CCC=C(C)C)=CC[C@@H]1C2=O 15268475 YAHBSDIPFPMSAO-DWXRJYCRSA-N 424.537 5.805 10 1 HKCF in-vitro COc1cccc(CN2CCC[C@@H](OC(c3ccccc3)c3ccccc3)C2)c1O 45167225 VAEPFFACWHRAJB-HSZRJFAPSA-N 403.522 5.171 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccns4)cc3)C2)cc1 96173005 SSCHQKDVTCTGKD-QGZVFWFLSA-N 422.550 5.186 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2Cl)N1 587695511 NWBOBXVQRCSXNE-MPBGBICISA-N 423.757 5.465 10 1 HKCF Cc1cc(-c2csc(C[C@H](C)n3cc(Cl)cn3)n2)c(C)n1-c1ccccc1F 587921844 CBSXAFRLCZTXLE-ZDUSSCGKSA-N 414.937 6.010 10 1 HKCF Oc1cc(C(F)(F)F)ccc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629351 JSCXACVTNKHNHT-HYBUGGRVSA-N 424.466 5.247 10 1 HKCF O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1O 45336324 HHAIRBJJFBLIDZ-UHFFFAOYSA-N 419.283 6.072 10 1 HKCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCCCC1 101849720 OIJZWUJYVRWMFA-MRCUWXFGSA-N 414.336 5.613 10 1 HKCF CCCOc1ccc(C2CCN(c3ccc([C@@H](C)NC(C)=O)cc3F)CC2)c(C)c1 223403997 OYRKMTAUBDYCIR-GOSISDBHSA-N 412.549 5.504 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)cc1 587194936 DCXGTCSJGRIXSF-UHFFFAOYSA-N 413.481 5.873 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765316 JIUHHXWPLXJHFU-QKKBWIMNSA-N 403.339 5.120 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(C)cc2nc2c(C)cccc12 29341553 IWYJDGWHCOFAEW-UHFFFAOYSA-N 400.482 5.968 10 1 HKCF CCCCCC1(OC(=O)[C@]23O[C@@]2(CC=C(C)C)C(=O)c2ccccc2C3=O)CCCC1 85592750 VEYGIBPWFPPESO-UIOOFZCWSA-N 424.537 5.366 10 1 HKCF biogenic,in-vitro COc1cc(/C=C/c2ccc(NCc3cc(NC(C)C)ccc3O)cc2)cc(OC)c1 96926944 WOFUIVOPXUNOOF-AATRIKPKSA-N 418.537 6.012 10 1 HKCF Cc1ccc(C)c(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 205707220 KMLIBMMNBRLKHQ-UHFFFAOYSA-N 402.500 5.235 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@H](C)N[C@@H](C)C2 13359195 XJKBCFDZMXLQGI-GJZGRUSLSA-N 407.510 5.142 10 1 HKCF biogenic CC(C)N1CCCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764040 BOAYFETXMKVDLI-PEBXRYMYSA-N 417.366 5.373 10 1 HKCF C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3ccc(O)cc3)cccc2NC1=O 29125566 JUCMNLHEHZFMQW-IEUSNURDSA-N 404.857 5.639 10 1 HKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1)CCC2(C)C 84688343 GXRHJEGKGAGDJH-SFHVURJKSA-N 414.457 5.604 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)CC2=O 587472731 LVNAQEFRISDVOM-QHCPKHFHSA-N 420.465 5.367 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)nc3[nH]1)[C@H]1CC=C[C@@H]21 587272449 SULSPPUFESWWSZ-GDLVEWKHSA-N 416.268 5.308 10 1 HKCF Oc1cccc(CCC=CCC=CCCCCCCCc2cccc(O)c2O)c1O 2356524498 GRNMSFHYESOOJH-UHFFFAOYSA-N 410.554 6.527 10 1 HKCF O=C(O)c1cccc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]c12 587637829 FIWCLVCFIKRYEQ-UHFFFAOYSA-N 416.691 7.160 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587047796 NLXVWSFEZZOOQD-WTDSWWLTSA-N 406.829 5.669 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)cc1 587108863 HBPRXYUNQAWSJS-UHFFFAOYSA-N 413.355 5.321 10 1 HKCF Cc1ccc2c(ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c32)n1 587275656 FKCNGOKRLDEPAJ-VBURHUQHSA-N 411.465 5.463 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)cc2)N1 587768780 WDXRQRQYLMKTRG-IVZQSRNASA-N 417.366 5.376 10 1 HKCF CC[C@]1(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC(=O)c2ccccc2C1 587960526 MGATVDVHJAGFRI-AREMUKBSSA-N 411.505 5.705 10 1 HKCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2cc(Cl)c(O)c(Cl)c2)cc1 103283650 GSVATAACOLMIIC-QURGRASLSA-N 423.281 5.310 10 1 HKCF O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c12 587638178 NNGPFRGMAGBHRT-UHFFFAOYSA-N 400.236 6.646 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCCC3)cc2)N1 587769856 ZODQRGXNYBDXFR-IVZQSRNASA-N 417.366 5.592 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cccc(OC)c3O)cc2)c(F)c1 1911574609 ISOHBQWLWWQROD-HNNXBMFYSA-N 409.457 5.096 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc3c4ccccc4ccc3[n+]2-c2ccccc2)cc1 5328430 PFJUIPDYQOMNQB-UHFFFAOYSA-N 401.533 6.506 10 3 HKCF O=C1N=C(NCc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncccc2c1 28821310 XBHJBHUDONLGFW-ZDLGFXPLSA-N 414.317 5.302 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3c2)cc1 587232392 SPGRHQWVHBMOLR-UHFFFAOYSA-N 410.477 5.487 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587742899 UXWZOWIUYIQXAE-SECQUZDXSA-N 417.366 5.723 10 1 HKCF COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccco1 169688319 UXTYFYIHCQWHAM-GHVJWSGMSA-N 414.801 5.143 10 1 HKCF CSc1ncc(CN2CCC(N(C)Cc3ccc(Cl)c(Cl)c3)CC2)s1 299866748 WPLIXSXTFZASHA-UHFFFAOYSA-N 416.443 5.268 10 1 HKCF Oc1cc(C(F)(F)F)ccc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629352 JSCXACVTNKHNHT-RDPSFJRHSA-N 424.466 5.247 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncsc3-c3ccccc3)[nH]c21 587027441 FHYWXQALFBJHSJ-UHFFFAOYSA-N 407.454 5.129 10 1 HKCF Cc1cc2ncc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)cn2n1 587922288 NQKNMVGKRSBGBQ-UHFFFAOYSA-N 403.486 5.375 10 1 HKCF CCc1cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)ccn1 587924457 ZHGDDRVHRADXJF-UHFFFAOYSA-N 405.592 6.564 10 1 HKCF Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccccc4)c12)C(=O)C(=O)c1ccccc1-3 103266821 CLHHPOYZZGQNGO-UHFFFAOYSA-N 415.452 5.442 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587945341 MJGAXKYRQWXSQS-UHFFFAOYSA-N 403.428 6.107 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 169730132 IPLYWYKPTUZLAZ-LQYYBXHWSA-N 421.434 5.798 10 1 HKCF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 8860428 SZYHQIGUKQSEJD-HZJYTTRNSA-N 415.618 6.570 10 1 HKCF COc1ccc([C@H]2COc3c(ccc4c3C=C[C@@](C)(CCC=C(C)C)O4)C2)c(O)c1O 14614053 GRHKVSQNMXZXME-WXTAPIANSA-N 422.521 5.736 10 1 HKCF biogenic CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1cc(O)ccc1O 36474295 ZQTIOBVFAWSBFX-UHFFFAOYSA-N 413.949 5.404 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)cc2)cc1 587195801 NMFVRVZAYQWJSB-UHFFFAOYSA-N 403.417 5.549 10 1 HKCF O=C(O)CCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 40475146 PVUWZRUYIKLLQS-UHFFFAOYSA-N 412.533 7.099 10 1 HKCF CCN1C(=CC=C[C@@H]2N(CC)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21 2356821500 GBLMGFFCPARLQT-SANMLTNESA-N 414.637 7.047 10 1 HKCF Cc1ccc(NC2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CCCC2)cc1 587236949 ICPWLWHRKFEZOF-UHFFFAOYSA-N 421.500 5.528 10 1 HKCF CC(=O)Nc1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)ccn1 587922683 SBMIHLATJOMSQG-UHFFFAOYSA-N 406.486 5.377 10 1 HKCF CCN(CC)c1ccc([C@H]2Nc3cc(C)ccc3N=C3CC(C)(C)CC(O)=C32)cc1 103903059 FMHGISMBVNIRTC-RUZDIDTESA-N 403.570 6.713 10 1 HKCF CC(C)=CCC/C(C)=C/COc1ccc2c(=O)c(-c3ccc(O)c(O)c3)coc2c1 14811730 NJKCJOIOBNJNFZ-GZTJUZNOSA-N 406.478 5.943 10 1 HKCF Cc1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1 962714103 YLLMWFFMMXTABA-DEOSSOPVSA-N 422.981 6.550 10 1 HKCF COc1c(CC=C(C)C)c(O)c2c(=O)c3ccc(O)c(O)c3oc2c1CC=C(C)C 14727612 SGSSJGOWXOYJNC-UHFFFAOYSA-N 410.466 5.089 10 1 HKCF endogenous,in-man C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C\C[C@@H]3C[C@@H](O)CC(=O)C3=O)CCC[C@]12C 169718131 SWXRZYZEPGMKIW-ZJZBOYJUSA-N 418.618 5.006 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)ccc3ccccc23)N1 587833559 OKCGMNNEGNPFNZ-LAJNKCICSA-N 400.291 5.245 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2c(Cl)cccc2s1)c1ccccc1 169351671 FZWLXWPBPDEJRL-QFIPXVFZSA-N 416.933 7.010 10 1 HKCF COc1ccc(C(=C2SC(c3ccc(C)cc3)=NC2=O)c2ccc(OC)cc2)cc1 299841348 ZIQSKODUTZWAIV-UHFFFAOYSA-N 415.514 5.492 10 1 HKCF Cc1cc2c(n1-c1ccc(Oc3ccc4c(c3)CCC4)c(F)c1)CC(C)(C)CC2=O 587945287 LGIBBBPLOSIPNF-UHFFFAOYSA-N 403.497 6.361 10 1 HKCF Cc1ccccc1Sc1ccc(/C=C2\SC(=S)NC2=O)cc1C(F)(F)F 96174929 XBKAVFSJHTUZCI-DHDCSXOGSA-N 411.495 5.654 10 1 HKCF Cc1cc(-c2csc(-c3ccc(OC(C)C)cc3)n2)c(C)n1-c1ccccc1F 587922332 OPHHRLGOKMHPCB-UHFFFAOYSA-N 406.526 6.811 10 1 HKCF COC(=O)c1ccccc1-n1c(C)cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1C 963113155 SDFZJCHDUYFLHH-CLOONOSVSA-N 418.512 5.130 10 1 HKCF Cc1ccc2cc(/C=C3\C=C(c4ccc(-c5ccccc5)cc4)OC3=O)c(Cl)nc2c1 1857541201 BVGWTGDGNPZVGI-HZHRSRAPSA-N 423.899 6.845 10 1 HKCF O=C1C[C@@H](c2ccccc2)Cc2c1c1c(n2Cc2ccccc2)-c2ccccc2C1=O 6581004 IYBGEDYTGXXMMX-FQEVSTJZSA-N 403.481 5.661 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCO2 587511310 FUVATFUKJZPXTH-XMMPIXPASA-N 415.489 5.408 10 1 HKCF O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C1\CCCN(c2ccccc2)C1=O 1484672 XLQOULKRIADZTN-FMIVXFBMSA-N 415.276 5.383 10 1 HKCF Cc1ccc(/N=N/c2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)cc1C 5541994 JCJLRIFZRJZLCG-OCEACIFDSA-N 423.904 5.855 10 1 HKCF O=C(CSCc1ccc(Br)cc1)/N=N\c1c(O)[nH]c2ccccc12 13123270 WMAZUWOASRSJIE-MRCUWXFGSA-N 404.289 5.180 10 1 HKCF O=C(c1ccc(/C=C/c2ccc(O)c(O)c2)cc1)N1CCC(Cc2ccccc2)CC1 43079794 WXSBXNLHLOPARI-VOTSOKGWSA-N 413.517 5.363 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(/C=C(/N)c4ccccc4)n3)c2C)c1 587924045 APLWYKIQRAGMSU-HYARGMPZSA-N 417.603 6.396 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(F)cc4F)n3)c2C)c1 587924390 WGSUTQJLWAPDIB-UHFFFAOYSA-N 412.530 6.885 10 1 HKCF FC(F)(F)c1cc(/N=N/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 39010774 UMCBDFKFYOZVOW-UHFFFAOYSA-N 402.125 7.142 10 1 HKCF CC(C)=CCCC(C)=CCc1cc2c(c(O)c1O)C(=O)[C@@H](Cc1ccc(O)cc1)CO2 2356516658 FNWRLQHMHZHIHB-FQEVSTJZSA-N 422.521 5.473 10 1 HKCF CCCCCCc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1 28951417 MHLQUCXSNCXVQA-UHFFFAOYSA-N 402.343 5.623 10 1 HKCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328355 JTIOTQUYULJCRJ-UNMCSNQZSA-N 423.831 5.749 10 1 HKCF Nc1c(Br)cccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 587935069 MGJWAIXDQISRDW-UHFFFAOYSA-N 419.706 5.160 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)nc3[nH]1)[C@@H]1CC=C[C@H]21 587272451 SULSPPUFESWWSZ-USBNGQNGSA-N 416.268 5.308 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)cc1 587005511 KGCPFJOUMFTPOB-UHFFFAOYSA-N 415.678 5.415 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587822524 OWLBVUQVKCIDSW-JEOXALJRSA-N 420.322 5.027 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(C)cc4)n3)c2C)c1 587924214 MEBDHAZFZOOXFL-UHFFFAOYSA-N 420.603 6.827 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 14615807 ILCMVLORKWIOOH-CMBCZCRSSA-N 424.493 5.451 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 53172792 DUDFTSRVUFWNCL-UHFFFAOYSA-N 417.405 6.308 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3c2)cc1 587162832 KAAPITAFVBNOIS-UHFFFAOYSA-N 423.447 5.975 10 1 HKCF Oc1ccc(C=Cc2c(CCc3ccccc3)c(O)c(O)c3c(O)cccc23)cc1O 2356351714 DVAQPIIMGYQFIW-UHFFFAOYSA-N 414.457 5.323 10 1 HKCF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587200931 BSXXMKNBKQVHKG-UHFFFAOYSA-N 424.545 5.518 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC3CCCC3)cc2O)N1 587811120 MTQXUKUFZOWYBR-LAJNKCICSA-N 420.322 5.239 10 1 HKCF Cc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)[n+]2Cc2ccccc2)cc1 5571006 LTPUBPMAYKSQKY-UHFFFAOYSA-O 401.511 5.501 10 3 HKCF CCCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26842702 ZURWBQJUXSINOG-UHFFFAOYSA-N 421.522 5.292 10 1 HKCF Cc1c(CSc2nccs2)cccc1SCCOC(=O)Nc1ccccc1 27433962 XEDCHTOXBBJREJ-UHFFFAOYSA-N 416.593 6.085 10 1 HKCF CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc(O)c1O 59589074 ARKWSSISMOPLRP-QHCPKHFHSA-N 408.494 5.527 10 1 HKCF biogenic,in-vitro CCCCCc1cccc(CCc2c(/C=C/c3ccc(O)c(O)c3)ccc(O)c2O)c1 85569246 JOYNBGDNNSXQFO-FMIVXFBMSA-N 418.533 6.197 10 1 HKCF biogenic,in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2O)N1 587694653 PVLITZZMLRONNL-KWKYVRJSSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)cc2)N1 587765381 JQCMZVRPTARHHN-NYHFZMIOSA-N 417.366 5.376 10 1 HKCF Oc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccc2)cs1 1857543739 SJCGGSAGSQKPHC-JOCHJYFZSA-N 415.493 6.011 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncc(C)s1)(c1cccs1)O2 587415172 XZXCDVNHKCXCJC-LJQANCHMSA-N 402.566 5.057 10 1 HKCF CC(C)=CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]12 165254187 GJGBWBJTIMMKNO-OWAUWMPXSA-N 414.542 5.381 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694235 PRCLXVXRLKVYBD-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF Cc1ccc([C@H](NC(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(O)ccc3ccccc23)cc1 169296548 VQFJZXKRMYXTAJ-RRQZXNHTSA-N 402.538 5.631 10 1 HKCF CC(C)(C)Oc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(N)cc1F 587135918 IFEVHTSOTOSHIZ-UHFFFAOYSA-N 406.461 5.503 10 1 HKCF O=C(c1ccc(Oc2ccccc2)cc1)c1cc(O)c(O)c(Cc2ccc(F)cc2)c1 84604926 AELIMCLFDSLTLU-UHFFFAOYSA-N 414.432 5.851 10 1 HKCF CC(C)c1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(O)c(C(C)C)c1 586896119 GTSBOVDQKVPKGM-UHFFFAOYSA-N 401.510 6.557 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4nccs4)s3)nc21 587023575 MMVDVLMNHZYLJX-UHFFFAOYSA-N 413.483 5.190 10 1 HKCF Nc1cc2c(nc3c4ccccc4ccc3[n+]2-c2cccc3ccccc23)c2ccccc12 34909239 IQJGPUYSMZZKDO-UHFFFAOYSA-O 422.511 6.707 10 1 HKCF COc1ccc(-n2c(-c3ccc(C(C)C)cc3)cc(CN3CCSCC3)c2C)cc1 64437189 PBKVMLKRDZHCQO-UHFFFAOYSA-N 420.622 6.134 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1Cl 84796171 CSXRZNHPYJZKFV-UHFFFAOYSA-N 400.950 5.794 10 1 HKCF O=C(CSCc1cccc(Br)c1)N=Nc1c(O)[nH]c2ccccc12 253977805 QBSSKIZTFDHQPV-UHFFFAOYSA-N 404.289 5.180 10 1 HKCF FC(F)(F)Oc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078636 YCADWFMXDFHNFY-JCGVRSQUSA-N 405.807 5.941 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587271346 AXZIGGUYPLTICE-KSMMKXTCSA-N 414.387 5.625 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)C1C(=O)c2ccccc2C1=O 963234799 VRWRCNNBFOIICI-VKGTZQKMSA-N 409.529 5.282 10 1 HKCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1C 28008470 HGTDVOFPSJYKAQ-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF O=c1c(/N=N/c2ccc(F)cc2)c(CSc2ccccn2)[nH]n1-c1ccccc1 169330556 KYBJGQYWWLRQGZ-OCOZRVBESA-N 405.458 5.407 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2O)N1 587835491 XOJMUUBYUIWCDH-JLCFBVMHSA-N 412.302 5.120 10 1 HKCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Cl 587272949 YBAJQKRPSZSQIY-MTJIALIYSA-N 410.861 5.268 10 1 HKCF CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 103222280 YCJMAMFQPDAFIX-GOSISDBHSA-N 415.276 5.657 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccc(F)c(F)c1 169351665 KBORREVBCQPCIH-QHCPKHFHSA-N 418.468 6.635 10 1 HKCF Oc1ccccc1C1=NN(c2cccc(Cl)c2)[C@@H](c2cc(F)c(O)c(F)c2)C1 299825891 CSCSBBSQLJHGCJ-LJQANCHMSA-N 400.812 5.385 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742326 QRZUCOUOHARLPV-LHSJRXKWSA-N 405.355 5.366 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(C)C)cc1 587512220 MCEYMEKRBPSXEB-HHHXNRCGSA-N 413.561 6.803 10 1 HKCF C[C@]1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526661 WOKYWVJIBIYVNC-MUUNZHRXSA-N 424.496 5.512 10 1 HKCF CC(C)=CCC[C@H](C)C=Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356552597 VZJLYIVZEHIVNN-NYHFZMIOSA-N 424.493 5.611 10 1 HKCF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587233593 RHAWNZAEQXDESR-ZWKOTPCHSA-N 408.502 5.098 10 1 HKCF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118921360 WXNBQQHPUKBRCM-LLQZFEROSA-N 416.610 5.197 10 1 HKCF CCCCN(CCCC)c1ccc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962963671 ZPTUBBNUVJXMLC-QFQXNSOFSA-N 403.614 6.588 10 1 HKCF CCCCN(CCCC)C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40380209 NVDPDKLDQVAAAQ-RUZDIDTESA-N 424.629 5.281 10 1 HKCF CN(C)c1ccc(/C=C/c2cc(O)cc(/C=C/c3ccc(N(C)C)c(O)c3)c2)cc1O 84711364 STFQFZDSYODFSQ-KQQUZDAGSA-N 416.521 5.276 10 1 HKCF COc1cc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1OC 587195740 LRGNSUWFWLNTRR-UHFFFAOYSA-N 401.470 5.729 10 1 HKCF CSc1ccc(-c2ccc(C)n2CCOc2cc(C)c(Cl)cc2C(C)C)cc1 587943347 XMNIQRLPLZWAOF-UHFFFAOYSA-N 414.014 7.350 10 1 HKCF Cc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c(C)n1-c1ccc(F)cc1F 962667889 WRLFNXFVZZIRDL-MHZLTWQESA-N 414.499 6.274 10 1 HKCF COc1cc(/C=C/c2ccccc2)ccc1Nc1c2ccccc2nc2ccccc12 26843218 VTZXNOSLHHEJFT-FOCLMDBBSA-N 402.497 7.311 10 1 HKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(F)cccc23)c1 27525061 YJZKKQOQIBZFFS-UHFFFAOYSA-N 405.429 5.331 10 1 HKCF CCCc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)cc1 40940155 JZNUTYNHHXBECR-UHFFFAOYSA-N 408.586 6.093 10 1 HKCF COc1ccc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 208399924 LKAQDCQASCWLEL-UHFFFAOYSA-N 417.477 5.679 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271930 LOVISQNNGWVCGK-HFAKWTLXSA-N 416.268 5.308 10 1 HKCF Cc1cccc(N[C@H](c2ccc3cccnc3c2O)c2c(F)c(F)cc(F)c2F)n1 202331976 YDCZODYBERKOLC-OAQYLSRUSA-N 413.374 5.402 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2O)N1 587713133 RSUBKKPSIPKABW-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF Cc1[nH]cc2c1-c1c([nH]c3ccc(Cl)cc13)[C@@H]1N(C)c3ccc(Cl)cc3[C@@]21C 2356713140 ZVEJGLKGBBJKBW-GOTSBHOMSA-N 408.332 6.589 10 1 HKCF CSc1ccccc1-n1c(-c2ccc(F)cc2)cc(CN2CCSCC2)c1C 64436581 BIZPMSYEOGLQDY-UHFFFAOYSA-N 412.599 5.863 10 1 HKCF Cc1cc(-c2csc(-c3ccc(N)c([N+](=O)[O-])c3)n2)c(C)n1-c1ccccc1F 587922244 MDEMVRCNBYPFCS-UHFFFAOYSA-N 408.458 5.514 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4cccn4)n3)c2C)c1 587924472 ZZFOXDRVGMCLPM-HNNXBMFYSA-N 408.596 5.940 10 1 HKCF O=C(O)Cc1c[nH]c2cc(OCCCN3c4ccccc4Oc4ccccc43)ccc12 95596796 BFLBKZZWCDCVCH-UHFFFAOYSA-N 414.461 5.508 10 1 HKCF CC(C)N1CCCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764041 BOAYFETXMKVDLI-RCDICMHDSA-N 417.366 5.373 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)cc2)N1 587765384 JQCMZVRPTARHHN-OYHNWAKOSA-N 417.366 5.376 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(N(C)C)ccc3O)cc2)c(F)c1 1911584143 WQZSREHRZGCVEW-INIZCTEOSA-N 422.500 5.153 10 1 HKCF CCCCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1 95581084 YWIKFVDYPOKCMP-UHFFFAOYSA-N 401.510 5.825 10 1 HKCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1c2c(c3ccccc31)CCCC2 587871960 RCKJBEYCCGCDCJ-UHFFFAOYSA-N 417.484 5.262 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)c(O)cc2c1oc1c3ccc(O)cc3oc(=O)c21 2356392775 PBLWSVWYIYVLDE-UHFFFAOYSA-N 420.461 6.044 10 1 HKCF COc1ccc(O)c(O)c1C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 14764758 JGFQHGDOQGIOND-DCVNSYBLSA-N 412.614 7.795 10 1 HKCF endogenous,in-man COc1ccc(-c2nc(CNC(=S)SC)cc3c4ccccc4n(C)c23)cc1 474607870 KLLNBRBIJBICPX-UHFFFAOYSA-N 407.564 5.140 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Cl)cc2Cl)N1 587692876 MBRITEYZLQLGNV-HYORBCNSSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694222 POCIFTOOCMCJQE-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF Oc1c(F)cc(Cl)cc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642519 UOWGJAYQISZGOO-WMZHIEFXSA-N 408.904 5.021 10 1 HKCF Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(F)cc2)N1 20763576 ULZCYVFJYFFIGI-AUSIDOKSSA-N 424.859 5.136 10 1 HKCF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)(C)C 587204535 KFYYJDBYXZCENA-HXUWFJFHSA-N 424.545 5.419 10 1 HKCF CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 82177915 LYWSKCJDLXQWEC-GOSISDBHSA-N 406.578 5.208 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587271769 IEQRXHUMOOTKHE-USBNGQNGSA-N 416.268 5.308 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724519 IUMYVPNHHGKFEO-YUNKPMOVSA-N 409.318 5.197 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(F)(F)F)c2O)N1 587713118 RQUXJFGMCICEJV-HUTHGQBESA-N 418.228 5.110 10 1 HKCF Cc1ccc(-c2ccc3c(c2)N(c2ccc(Cl)cc2)CCn2nnc(C)c2-3)cn1 1857745996 JPPYRYLQQXKOPP-UHFFFAOYSA-N 401.901 5.429 10 1 HKCF COc1cc(/C=C/c2ccc(O)c(O)c2)c(C/C=C(\C)CCC=C(C)C)c(OC)c1 103239300 ZJLYXDXTIMOVSI-ALYWKMAQSA-N 408.538 6.521 10 1 HKCF CCCCc1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O 473084527 RGYSWZFPBOSNJF-UHFFFAOYSA-N 404.462 5.007 10 1 HKCF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)cc2c1CC(C)(C)CC2=O 587943583 JPPKQLLOHKOWDU-UHFFFAOYSA-N 409.255 5.059 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946987 PKHWBWPUNCUVGU-UHFFFAOYSA-N 420.528 5.224 10 1 HKCF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 27519167 WKASWGQDAKPOAS-PDBXOOCHSA-N 413.602 6.346 10 1 HKCF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587070346 SECNSCCQXXMJLI-CQSZACIVSA-N 405.885 5.967 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccccc3c2O)N1 587830079 AYQQJGVALSRTSW-GTJPDFRWSA-N 400.291 5.245 10 1 HKCF CNc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2O)s1 98082249 DPENFOOQFVSCLH-UHFFFAOYSA-N 417.519 5.291 10 1 HKCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)cccc12 26939887 AGJKZTZVCZIZDH-UHFFFAOYSA-N 405.523 5.428 10 1 HKCF CCCCCOC[C@H]1C[C@@H](C[C@@H](C)/N=N/c2nc(-c3ccccc3)cs2)C(=O)O1 169687954 MZDDHFAEDSOAAM-DRCVFVJJSA-N 415.559 5.811 10 1 HKCF COc1cc(O)c2c(=O)c3cc(C/C=C(\C)CCC=C(C)C)c(O)c(O)c3oc2c1 225991737 LYHLFIQYBMGNNX-RIYZIHGNSA-N 410.466 5.307 10 1 HKCF Cc1cc(-c2csc(COc3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1F 587922977 ZREPNWXPKTUOCG-UHFFFAOYSA-N 412.917 6.589 10 1 HKCF CCOC(=O)c1cc(C)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1C 587942211 WHDANKLKUIQMMU-UHFFFAOYSA-N 415.531 6.538 10 1 HKCF CCOc1ccc(O)c([C@@]2(C(F)(F)F)c3ccsc3CCN2Cc2ccco2)c1 962700528 BNLLUCLBRSMIKT-HXUWFJFHSA-N 423.456 5.310 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@@H]1C2=O 15268439 JIBJRIUIIPXXGN-LNHOJHAFSA-N 424.537 5.661 10 1 HKCF biogenic,in-vitro Oc1c([C@@H](Nc2ccc(F)cn2)c2c(F)c(F)cc(F)c2F)ccc2cccnc12 202336490 LFKSHSSIYOGROD-HXUWFJFHSA-N 417.337 5.232 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4)c3O)[nH]c21 586896655 HFBAODLMLWHCTM-UHFFFAOYSA-N 416.436 5.378 10 1 HKCF CCC(C)(C)c1ccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587565859 VSMLZYFSXWUKHL-UHFFFAOYSA-N 424.500 5.605 10 1 HKCF Cc1ccc([C@H]2CC(=O)C[C@H](c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 3588924 QKTLYJCNTAJCQI-JWQCQUIFSA-N 408.497 5.599 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2O)N1 587712060 NJJAWASGTFIESX-HUTHGQBESA-N 418.228 5.110 10 1 HKCF Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(F)cc2)N1 20763572 ULZCYVFJYFFIGI-WMZHIEFXSA-N 424.859 5.136 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 587078658 YPTJVVWTGZUKRK-OWWKKJFISA-N 423.907 6.139 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512190 LVKCAXVIUPFSAH-HHHXNRCGSA-N 413.517 5.666 10 1 HKCF CC1(C)CCC(C)(C)c2cc([C@H](N=N)c3ccc4cc(C(=O)O)ccc4c3)ccc21 169714707 ACGUSLIOHUUQFO-HSZRJFAPSA-N 400.522 7.007 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C)cc3C)c1C)CC2=O 587468732 AOZUIRVCGTZSOQ-RUZDIDTESA-N 403.522 6.076 10 1 HKCF COc1cc(OC)c2c(c1CC=C(C)C)[C@@H]1[C@H](C2)C(C)(C)[C@@H]1c1ccc(O)c(O)c1 13373193 AMQPNUCGYDLCTA-RIEVBORMSA-N 408.538 5.703 10 1 HKCF biogenic CN(C)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103869640 ZASIMEPNIWDVMR-DCFHFQCYSA-N 409.533 6.382 10 1 HKCF C[C@@H](c1ccccc1)[C@@H](Nc1nc2ccccc2s1)c1c(O)ccc2ccccc12 169351589 DAAMCHSXHZPFEX-SSOJOUAXSA-N 410.542 7.112 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5nc[nH]c5c4)n3)c2C)c1 587924217 MKPAVSNIORADKN-UHFFFAOYSA-N 416.575 6.483 10 1 HKCF Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccc(Br)cc34)n[nH]2)cc1 617960168 XIRJGWZPBXFPTR-UHFFFAOYSA-N 424.258 5.259 10 1 HKCF CC(=O)N1c2ccc3ccccc3c2[C@H]2C=CC[C@@H]2[C@@H]1c1ccc(Br)cc1 4832900 QXFVAFMBSIXVEP-HFMPRLQTSA-N 418.334 6.370 10 1 HKCF Oc1cccc(CC/C=C\C/C=C\CCCCCCCc2cccc(O)c2O)c1O 33831410 GRNMSFHYESOOJH-QGXVWARISA-N 410.554 6.527 10 1 HKCF biogenic,in-vitro Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587272477 UIAMNSWNQQWCTM-XNJGSVPQSA-N 415.375 5.020 10 1 HKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587767097 QFVLPIGGUVSZOW-SZNDQCEHSA-N 403.339 5.120 10 1 HKCF Cc1cc(-c2csc(CCNC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587921848 CFONQHSMJSDGSW-UHFFFAOYSA-N 415.534 5.424 10 1 HKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccccc1Br 653808321 FNULFTIMIVETAW-UHFFFAOYSA-N 400.345 5.666 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587738793 CYORFBKBGJIJDW-LRTDBIEQSA-N 421.354 5.067 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCC(=O)O)c1ccc(N(CC)CC)cc1 963245151 ZXOFMHQOXLKOKB-ZBLYBZFDSA-N 422.613 5.688 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3c2)cc1 587076509 KGOHGLBHBWDEFK-UHFFFAOYSA-N 412.880 6.320 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)nc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587271767 IEQRXHUMOOTKHE-GDLVEWKHSA-N 416.268 5.308 10 1 HKCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21NCCc2cc(-c3ccccc3)ccc21 962667048 UYVWAOQARWVBCP-SANMLTNESA-N 401.506 5.018 10 1 HKCF COc1ccc([C@@H]2COc3c(ccc4c3C=C[C@](C)(CCC=C(C)C)O4)C2)c(O)c1O 14614050 GRHKVSQNMXZXME-QYBDOPJKSA-N 422.521 5.736 10 1 HKCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587272476 UIAMNSWNQQWCTM-IGCXYCKISA-N 415.375 5.020 10 1 HKCF CCOc1ccccc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924346 TVWMYZFYXQYIQM-UHFFFAOYSA-N 420.603 7.005 10 1 HKCF Nc1ccc(C(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(N)cc34)cc2)cc1 26839292 GGBMJCQIAOHXBN-UHFFFAOYSA-N 419.488 5.548 10 1 HKCF CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1)c1ccccc1 95615483 HYCHBJJSXVXDSY-JCMHNJIXSA-N 415.518 5.118 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2O)N1 587713131 RSUBKKPSIPKABW-HUTHGQBESA-N 418.228 5.110 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587742897 UXWZOWIUYIQXAE-NFMRPMJVSA-N 417.366 5.723 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@@H]4C)c(C)cc(OC)c12 2356708137 FXTOKXMBXDISIX-LSDHHAIUSA-N 407.510 5.147 10 1 HKCF CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)Nc2ccccc2C1=S 84632716 MLBHXYBSUWBDON-UHFFFAOYSA-N 421.392 5.016 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587820515 DOWNVIWUNIGUKH-WYRIXSBYSA-N 420.322 5.027 10 1 HKCF CC(=O)N1c2ccc3ccccc3c2[C@H]2C=CC[C@H]2[C@H]1c1ccc(Br)cc1 13154403 QXFVAFMBSIXVEP-YZUZCNPQSA-N 418.334 6.370 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@]1(C)CC(CCC=C(C)C)=CC[C@H]1C2=O 15268467 YAHBSDIPFPMSAO-HFJWLAOPSA-N 424.537 5.805 10 1 HKCF in-vitro O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(-c4ccccc4)cc3)[nH]c21 49112580 DWLKRGTTWQQCFY-UHFFFAOYSA-N 400.437 5.672 10 1 HKCF Oc1ccccc1CNCCCCCCCNc1c2c(nc3ccccc13)CCCC2 95559171 ZYEZHQVZVSWGMV-UHFFFAOYSA-N 417.597 5.971 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(F)cc3F)c1C)CC2=O 587467422 RWIADJTZLDSQOF-HSZRJFAPSA-N 411.448 5.737 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)CC2=O 587469867 HOZZBERCRKXHMC-AREMUKBSSA-N 417.549 6.582 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 40423250 PCPMFJIGRDLGDZ-UHFFFAOYSA-N 408.586 6.264 10 1 HKCF CCOc1ccc(C/C=C(\N=N\c2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 169720514 KRONFQIWHICXAA-ZAJPEMCXSA-N 424.504 5.700 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)cc1 587196352 SYQSUFZKUYEOCX-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF Oc1ccc2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 653713174 QHCLRZWPMAADEB-VWLOTQADSA-N 400.547 5.519 10 1 HKCF CN(C)c1ccc(/C=C2\C=C(Cc3ccc(Br)cc3)C(=O)O2)c(Cl)c1 103175033 FDJDCSWLPLXDEM-VCHYOVAHSA-N 418.718 5.235 10 1 HKCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(C)c(C)c3nc2c1 26935320 JJLGWJMVMGDQKZ-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)cc1 587196587 WHBLFALIKZKAFQ-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)nc3[nH]1)[C@H]1CC=C[C@H]21 587272450 SULSPPUFESWWSZ-MMPTUQATSA-N 416.268 5.308 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2O)N1 587835496 XOJMUUBYUIWCDH-RCDICMHDSA-N 412.302 5.120 10 1 HKCF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)CCC[C@@]21C 169343680 LQNIJXXSHZEGCO-UFIYPXSCSA-N 418.574 6.008 10 1 HKCF CCc1c(-c2c(C)c3ccccc3n2C)nc2cccc3c2c1-c1ccccc1C3=O 587104843 KQKOXVFPZQAJFT-UHFFFAOYSA-N 402.497 6.476 10 1 HKCF Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)c1 963099613 APNOCKKFHHHEJH-BKMJKUGQSA-N 402.513 5.330 10 1 HKCF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNCC1(N2CCCCC2)CCCCC1 45372649 RZDRDQKNWFZNPL-UHFFFAOYSA-N 422.569 5.066 10 1 HKCF Cc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1C 473124754 WYHDAFSGUWUOLE-UHFFFAOYSA-N 402.500 5.235 10 1 HKCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 587870242 CGGQYDVGTBOQSF-UHFFFAOYSA-N 421.447 5.323 10 1 HKCF CCN(CC)CCCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 13557621 PJIBLJQAPRUBQT-QGZVFWFLSA-N 413.993 6.363 10 1 HKCF Cc1ccc2c(ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c32)n1 587275649 FKCNGOKRLDEPAJ-CKNGIIGNSA-N 411.465 5.463 10 1 HKCF Cc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n(C)c2c1 587756939 SZZWHDQSFAKOAQ-LAJNKCICSA-N 401.323 5.320 10 1 HKCF Cc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587757435 VOSBLDZPBPGDBI-LAJNKCICSA-N 401.323 5.320 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(C[C@@H](C)n4cccn4)n3)c2C)c1 587924131 HDOAQXWDPGMFIG-OAHLLOKOSA-N 408.596 5.940 10 1 HKCF COc1ccc2c(c1)[C@@](C)(c1ccc(OC)c(-n3c(C)ccc3C)c1)N(C(C)C)CC2 962087179 CUSZERZJYPVDCU-HHHXNRCGSA-N 418.581 5.641 10 1 HKCF Cn1c(O)c(/N=N\C(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 6413753 UHZTWFIKUGJHRN-QPLCGJKRSA-N 412.474 6.085 10 1 HKCF COc1ccc(OC)c(-c2ccc(O)c(CN3CCC(c4ccccc4)CC3)c2)c1 14968356 FBLWYWDCYVIZCL-UHFFFAOYSA-N 403.522 5.456 10 1 HKCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CN3CCCCCC3)c1)CC2=O 587476620 VTGCSPRIZYWASQ-AREMUKBSSA-N 423.553 5.307 10 1 HKCF CC1CCN([C@H](c2ccc(Br)s2)c2c(O)ccc3ccccc23)CC1 653711474 KCOFMSWKUXIXJA-OAQYLSRUSA-N 416.384 6.191 10 1 HKCF COc1ccc2c(c1)[C@](C)(c1ccc(OC)c(-n3c(C)ccc3C)c1)N(C(C)C)CC2 962087188 CUSZERZJYPVDCU-MHZLTWQESA-N 418.581 5.641 10 1 HKCF Cc1ccc(NC(=O)/C=C/c2ccc(O)c3oc(-c4ccc(O)c(O)c4)cc23)cc1 1857648620 VJYBWFQVAMOWPR-IZZDOVSWSA-N 401.418 5.177 10 1 HKCF COc1cccc2c(Nc3ccc(NP(=O)(OC)OC)cc3)c3ccccc3nc12 25999431 FMFHLRLJOMWUSN-UHFFFAOYSA-N 423.409 5.953 10 1 HKCF COc1cccc(C2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CCCC2)c1 587933852 WWLHFWVAQRDSOS-UHFFFAOYSA-N 422.484 5.207 10 1 HKCF Cc1cc([C@@H]2NCC(C)(C)c3ccc4c(c32)OCO4)c(C)n1-c1ccccc1Cl 963390034 DVTBSRWRVXJNPK-QFIPXVFZSA-N 408.929 5.446 10 1 HKCF CC[C@@H](C)Oc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(OC)c1 96172870 LZQWLAVMNVTXJZ-IEBWSBKVSA-N 411.542 5.223 10 1 HKCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC4)cc3)C2)c(OC)c1 96172972 FAPJOIOBNVVSFR-GOSISDBHSA-N 423.553 5.224 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 587271852 JVPGCTMXQYPQMB-JCGVRSQUSA-N 414.387 5.625 10 1 HKCF Cc1cc2c(cc1C)N[C@H](c1c(O)ccc3ccccc13)[C@H]1C(=O)CC(C)(C)CC1=N2 1857533980 VGWOVTAJIJFJJF-CLJLJLNGSA-N 412.533 6.407 10 1 HKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccs1 45335984 ZPQWKZCHJRSZMR-GOSISDBHSA-N 409.536 5.010 10 1 HKCF C[C@H](NC(=O)C1CC(F)C1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149952398 RRWVYFHUGSZVGZ-HLFJOQDNSA-N 422.544 5.005 10 1 HKCF CCCCNCc1ccc2n1-c1ccccc1S[C@@H]2c1ccc(OC)cc1OC 27437998 DHHGZODYFZPCFX-XMMPIXPASA-N 408.567 5.579 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(OC(F)(F)F)cc3)c2c1 72107224 PTKIMXAAADZVRE-UHFFFAOYSA-N 418.802 6.692 10 1 HKCF CCOC(=O)[C@H]1CCCC[C@H]1N(C)CCC=C1c2ccccc2CCc2ccccc21 299859507 FUPLLNVZIPQQNU-RRPNLBNLSA-N 417.593 5.661 10 1 HKCF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587070334 SECNSCCQXXMJLI-AWEZNQCLSA-N 405.885 5.967 10 1 HKCF COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)cc1 103296281 CIFKUUSZRZEHQZ-QHCPKHFHSA-N 400.543 6.817 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 587078347 OIRGLQLPZKRDPW-OWWKKJFISA-N 423.907 6.139 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)[C@@H]1CC=C[C@@H]21 587271480 CPLHTGDOIRPJKE-FMTVUPSXSA-N 415.375 5.020 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cncc(Br)c3[nH]1)N2 587078442 QZWTVFWANDCXOR-USBNGQNGSA-N 401.695 5.200 10 1 HKCF O=C1OC(c2ccc3ccccc3c2)=C/C1=C\c1cc2ccc(Cl)cc2nc1Cl 1857542175 QLRFLPZCMOQSSR-YBFXNURJSA-N 418.279 6.676 10 1 HKCF COc1ccc(N(Cc2ccc(C(C)(C)C)cc2)Cc2ccc(OC)c(O)c2)cc1 103278862 IFLHXCOFPQYNDY-UHFFFAOYSA-N 405.538 5.914 10 1 HKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(N(C)C)cc1 587511567 HTJLVGYXEVQHFA-SANMLTNESA-N 414.549 5.745 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(F)(F)F)c2O)N1 587712385 PFKPDTCVXUCVAN-XYZCENFISA-N 418.228 5.110 10 1 HKCF Oc1cc(C(F)(F)F)ccc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629348 JSCXACVTNKHNHT-GBXCKJPGSA-N 424.466 5.247 10 1 HKCF CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N=C1C 103540438 CZCANZLGENSSSC-GZTJUZNOSA-N 418.415 5.304 10 1 HKCF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586915850 ISGBXIAPXFEKNT-NLFFAJNJSA-N 413.477 5.154 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)O2 587403722 KWVQJGYTYSXRKU-RCXJIHSJSA-N 421.537 5.337 10 1 HKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 1857586122 GUZWONMHNIUZSP-UHFFFAOYSA-N 421.028 7.652 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc(Cl)cc1)c1nsnc21 219721942 REQOAGQQTADNME-UHFFFAOYSA-N 408.891 5.271 10 1 HKCF CC(C)=CCCC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O 2356672875 AMSGNHVRVKYLPO-JOCHJYFZSA-N 424.493 5.451 10 1 HKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Br)nc3[nH]1)N2 587077948 CLAJHNXLOYCOCY-USBNGQNGSA-N 401.695 5.200 10 1 HKCF Cc1cc(-c2csc(Cc3ccc(F)cc3Cl)n2)c(C)n1-c1ccccc1F 587922059 IMIXEEKKHGFSPB-UHFFFAOYSA-N 414.908 6.740 10 1 HKCF CN(C)c1ccc([C@@]2(Cc3ccccc3)NCCc3cc(-c4ccccc4)ccc32)cc1 962663112 FWNSAWCXVOJIDD-SSEXGKCCSA-N 418.584 6.052 10 1 HKCF CSc1ccccc1-c1cc(CN2CCSCC2)c(C)n1-c1ccc(F)cc1 64454105 DPRHDGQZTZIKMI-UHFFFAOYSA-N 412.599 5.863 10 1 HKCF CCCSc1nc(Sc2nccs2)c2[nH]c(=Nc3ccccc3)sc2n1 1857637775 BMBJTYJQPUIAJS-UHFFFAOYSA-N 417.610 5.362 10 1 HKCF CC[C@H](C)NCc1ccc2n1-c1ccccc1S[C@H]2C1=CCC(OC)(OC)C=C1 28758066 RDSFERWSZRAZLX-SBUREZEXSA-N 410.583 5.388 10 1 HKCF COc1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 140441833 ILCZFXZRDKWDBF-DEOSSOPVSA-N 412.514 6.365 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)c2Cl)o1 169730161 SVXCRWYEUMRXCI-LQYYBXHWSA-N 411.870 6.753 10 1 HKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(N(C)C)cc3)c1C)CC2=O 587471316 PSFZCTPLPVPBRX-RUZDIDTESA-N 418.537 5.525 10 1 HKCF Nc1ccc2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3c(O)c2c1N 27522399 KPJGNWFBRZMJNB-WCWDXBQESA-N 418.369 5.095 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)O2 587378718 PESHHFDXTRLXRV-FQEVSTJZSA-N 415.320 5.998 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Cl)cc2Cl)N1 587694703 QDNDQVLXBPQWEY-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccccc3c2O)N1 587830081 AYQQJGVALSRTSW-QKVFXAPYSA-N 400.291 5.245 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)OC(C)(C)C)n3)c2C)c1 587924151 IJFWYNNSJZVFCM-UHFFFAOYSA-N 414.596 5.824 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3c2)cc1 587053025 YXSHCNCBFBGJNQ-UHFFFAOYSA-N 400.869 6.049 10 1 HKCF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 64436514 ZBSOIMJHWBXZMM-OFYXWCICSA-N 417.594 5.796 10 1 HKCF CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccccc1O 73198519 IGLFQKPVXIZQFX-KRWDZBQOSA-N 414.236 5.532 10 1 HKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccc(Cl)cc1 169351667 NEHQVLMIYZJPDF-QHCPKHFHSA-N 416.933 7.010 10 1 HKCF Cc1cc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)c(C)n1-c1ccccc1F 587922258 MQSLBIZCGWKDRH-UHFFFAOYSA-N 417.336 7.331 10 1 HKCF CN1C(=O)C[C@H]2CN[C@@H](c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c3cccc1c32 963017566 CWHPTYCQTUJPEN-NPMXOYFQSA-N 406.570 5.130 10 1 HKCF CC(C)=CCCC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O 2356603795 JVTPNJZXKNTJEF-UHFFFAOYSA-N 406.478 5.253 10 1 HKCF Nc1ccc(CNc2ccsc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 73196636 CXPRPVOIMOQXLA-UHFFFAOYSA-N 407.417 5.093 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)c(-c3ccccc3)c2)s1 587927784 YGTAIGBZRISNCL-UHFFFAOYSA-N 403.503 5.904 10 1 HKCF COc1cccc(-c2cccc(-n3c(CCC(=O)O)ccc3-c3ccc(C)s3)c2)c1 587937085 HRMBZWBOKOCSRG-UHFFFAOYSA-N 417.530 6.207 10 1 HKCF CCn1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587757360 UWWZAMDEVOJQSM-XUSGNXJCSA-N 401.323 5.495 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1CCCc1ccc(Cl)c(Cl)c1 587943356 XSADIYHDFXFUSJ-UHFFFAOYSA-N 408.350 6.173 10 1 HKCF CC(C)=CCC/C(C)=C\C[C@]12O[C@@]1(CC=C(C)C)C(=O)c1c(O)cc(O)cc1C2=O 13366864 HKGKESKEIDMUJE-UYNSIODKSA-N 410.510 5.424 10 1 HKCF in-vitro COc1ccc(-n2cnc3cc(NCc4ccc(OC(C)(C)C)cc4)ccc32)cc1 95584522 GGLYLCKAWSUXDY-UHFFFAOYSA-N 401.510 5.824 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4cc(Cl)ncc4c3)[nH]c21 587084857 HSWBFERXZIRZOC-UHFFFAOYSA-N 409.832 5.207 10 1 HKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)n(Cc3ccccc3)c3ccccc23)N1 962939946 CJEFWGBTKWNHMV-ONOMSOESSA-N 419.572 6.493 10 1 HKCF CCN(CC)[C@H](c1ccc(N(C)C)cc1)[C@@H](c1ccc(N(C)C)cc1)N(CC)CC 19365291 DMVSUWFLIQJFBW-CLJLJLNGSA-N 410.650 5.285 10 1 HKCF Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1 53297946 BHSCMKZMALDDCF-UHFFFAOYSA-N 406.489 5.794 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc21 587067959 CQYCSUJSIMUXAQ-UHFFFAOYSA-N 424.847 5.049 10 1 HKCF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587068023 WLUDAULVWASIQI-CYBMUJFWSA-N 416.864 5.440 10 1 HKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O 587470536 KTGWMFPJLRAWMV-QHCPKHFHSA-N 419.477 5.157 10 1 HKCF CN(C)c1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cc1 28568728 HUZDSTZYTXBRMO-COLGPFJESA-N 403.566 5.369 10 1 HKCF in-vivo COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586915848 ISGBXIAPXFEKNT-NBGIEHNGSA-N 413.477 5.154 10 1 HKCF O=C(COc1ccc2ccccc2c1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960138 DAAHXSKYYQRYDK-UHFFFAOYSA-N 424.254 5.479 10 1 HKCF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCCC4)c3)nc3cccc1c23 587103956 CLSQVKGVBMEGMG-UHFFFAOYSA-N 406.485 5.415 10 1 HKCF COc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587512399 NKEXHTIDCOBYDZ-VWLOTQADSA-N 401.506 5.688 10 1 HKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@]21NCCc2c1c(C(C)C)nn2C 962920044 QJOHCEXFGNZMFV-LMKMVOKYSA-N 423.004 5.268 10 1 HKCF CSc1ccc(CCNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1 6877999 LBQBUWFLBVMJPB-GOSISDBHSA-N 418.606 5.605 10 1 HKCF CC(C)C=Cc1c(O)c(C=CC(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356725758 SOJXHIUZAHCLFY-NRFANRHFSA-N 424.493 5.554 10 1 HKCF CC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=C(C)C)c(O)c1O 95486051 QCMXRXGQMHTJNH-FQEVSTJZSA-N 410.466 5.147 10 1 HKCF biogenic,in-vitro Cc1cc(N2CCCCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768346 UTNQERKPJLYUNT-NYHFZMIOSA-N 417.366 5.511 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCCC3)cc2)N1 587769860 ZODQRGXNYBDXFR-OYHNWAKOSA-N 417.366 5.592 10 1 HKCF COc1cc(N)c(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OC 587921859 CUJKDIQQQWHHAO-UHFFFAOYSA-N 423.513 5.623 10 1 HKCF CCN(CC)CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC 26641477 JSUNLOKUMUGSSF-UHFFFAOYSA-N 414.553 5.894 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccccc4F)n3)c2C)c1 587924339 SOGRDGYCLQHHNN-UHFFFAOYSA-N 408.567 6.669 10 1 HKCF Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)c1N=Nc1ccc(O)cc1 621435210 AZZDBFLVQVTSCL-UHFFFAOYSA-N 411.874 5.784 10 1 HKCF CCOc1ccc(-c2n[n+]3c4ccccc4ccc3c3ccc4ccccc4c23)cc1 13559576 IGEPWTYZCYDXSM-UHFFFAOYSA-N 401.489 6.346 10 1 HKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C)cccc12 29474337 ODGSDIKOMKPTJZ-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C\C[C@@H]3C[C@@H](O)CC(=O)C3=O)CCC[C@@]21C 169718129 SWXRZYZEPGMKIW-WOHRBNQNSA-N 418.618 5.006 10 1 HKCF O=C(Nc1cccc(N2CCCCC2)c1)c1ccccc1NC(=O)C1CCCCC1 224872657 GTQKCHJYBYNNAR-UHFFFAOYSA-N 405.542 5.448 10 1 HKCF O=C(c1cccc2c(F)cccc12)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294677 TZKIDZOMYHTMJT-QHCPKHFHSA-N 411.436 5.071 10 1 HKCF CN(C)c1ccc([C@@H]2CC(=O)c3cc(Br)cc(Br)c3N2)cc1 103213537 TXAKSEVNRUBVMT-HNNXBMFYSA-N 424.136 5.017 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2Cl)N1 587696621 QCQGKQHAABXODX-ODXCJYRJSA-N 423.757 5.465 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2O)N1 587713137 RSUBKKPSIPKABW-XYZCENFISA-N 418.228 5.110 10 1 HKCF COc1cc2c(c(OC)c1)[C@H](C)N(c1ccc(OC)c3c(O)cc(C)cc13)[C@H](C)C2 2356867481 WSFDLISXQFZWRH-CVEARBPZSA-N 407.510 5.392 10 1 HKCF COc1cccc(CN2CCC[C@H](OC(c3ccccc3)c3ccccc3)C2)c1O 45167223 VAEPFFACWHRAJB-QHCPKHFHSA-N 403.522 5.171 10 1 HKCF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587242043 LZFWSQUTBXMZJL-UHFFFAOYSA-N 414.509 5.979 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Cl)cc2O)N1 587692435 KRAXTCUNOJXZEV-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(Cl)cc2Cl)N1 587694704 QDNDQVLXBPQWEY-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF C/C=C1\NNC(=O)C(c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)=C1CC 587921849 CFRHVAXGOUGFPM-FXBPXSCXSA-N 422.529 5.059 10 1 HKCF COC(=O)c1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922514 PPECUHJYISIRKX-UHFFFAOYSA-N 406.482 5.810 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587725921 SXAVWPUEVYMASO-LRTDBIEQSA-N 421.329 5.125 10 1 HKCF c1ccc(/N=N/c2ccc(N3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1 1857543268 WEIPMDDBIUEQIH-XDDPZTMVSA-N 424.592 6.950 10 1 HKCF CC(C)=CC[C@H]1C(C)=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]21C 100823697 PHFQEHPMSYAMIH-QLODZENZSA-N 410.510 5.358 10 1 HKCF endogenous,in-man COc1ccc2cc([C@@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)ccc2c1 587933953 BEJNHXYOXOCQDF-MRXNPFEDSA-N 409.489 6.251 10 1 HKCF CCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587794766 PZRXFXRMXKPXJS-ODXCJYRJSA-N 408.311 5.096 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)cc2O)N1 587823960 XUTQFIKIYVQLNN-WHEQGISXSA-N 412.302 5.584 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)cc1 587194878 CNACSDWNUHPKKW-UHFFFAOYSA-N 421.302 5.869 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4ccc(C)n4)n3)c2C)c1 587924118 GNEQOGGLGJRARX-HNNXBMFYSA-N 422.623 6.248 10 1 HKCF Oc1cc(OC2CCCC2)ccc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961618188 XWJOCCUYEBTNFG-NRFANRHFSA-N 414.343 5.244 10 1 HKCF Oc1c(F)cc(Cl)cc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962642522 UOWGJAYQISZGOO-XXBNENTESA-N 408.904 5.021 10 1 HKCF COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)cc2)cc1 70725551 VTHJEUXVFZJXFZ-UHFFFAOYSA-N 405.475 5.022 10 1 HKCF C[C@H](/N=N/c1ccc2ccccc2n1)c1ccc(-c2cccc(C(=O)O)c2Cl)o1 169730118 APPXRKOCTBCFNE-UYKKPGFNSA-N 405.841 6.691 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)cc1 587005127 OHPWUELYBPBMMX-UHFFFAOYSA-N 415.678 5.415 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2O)N1 587696703 QZLGZBLWWBXHHB-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2F)N1 587726637 YPGITRAIISKGQR-ZSEKCTLFSA-N 421.329 5.341 10 1 HKCF COc1ccccc1Sc1cc(O)c([C@H]2NCCc3c(C)ccnc32)c(Cl)c1 963073117 PETYSWUARRIGDF-JOCHJYFZSA-N 412.942 5.144 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc12 15253963 SWGONUIXZUDUSG-FRKPEAEDSA-N 406.478 5.812 10 1 HKCF COc1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 140442008 ILCZFXZRDKWDBF-XMMPIXPASA-N 412.514 6.365 10 1 HKCF Cc1cc(N2CCCC2)c(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722382 YOCMUUIIJKGSAQ-ASSNKEHSSA-N 421.329 5.260 10 1 HKCF O=[N+]([O-])c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587078613 XKWDJSPHTHCZQP-PISHQANHSA-N 401.253 5.604 10 1 HKCF C[C@H](CSc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587171335 MTQWENIOMUMWPF-CYBMUJFWSA-N 416.477 5.373 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)cc1 587080680 SKKAZVKBTIRNBX-IBGZPJMESA-N 417.900 5.315 10 1 HKCF CC1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587766742 HLNYODGJMDBHAN-IVZQSRNASA-N 417.366 5.448 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Cl)nc4ccccc34)[nH]c21 587084813 HGGMZIRVPLJPNW-UHFFFAOYSA-N 409.832 5.207 10 1 HKCF COc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)CN(CCc1ccccc1)C2=O 169381674 AYUFSIRZXDWSDR-DEDYPNTBSA-N 419.565 5.835 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1 587195224 HBRMAZDXJHCHNW-UHFFFAOYSA-N 411.296 6.413 10 1 HKCF CCCN1[C@H](C)Cc2ccccc2[C@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 963232468 SPJCZGWAUATFNT-SGANQWHYSA-N 421.924 5.805 10 1 HKCF O=C(O)[C@@H]1CCCN(CCC=Cc2cccc(N=Nc3cccc4ccccc34)c2)C1 1857750156 XPFBDFBVESCJJA-JOCHJYFZSA-N 413.521 6.455 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742327 QRZUCOUOHARLPV-QKKBWIMNSA-N 405.355 5.366 10 1 HKCF Oc1ccc(-c2ncc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)o2)cc1O 1857632012 RUJXGXSPJWOQLR-UHFFFAOYSA-N 421.452 6.879 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccc(C)o4)cc3)C2)cc1 96173008 JFYAHMBYOAAPSZ-GOSISDBHSA-N 419.521 5.631 10 1 HKCF COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)c(C)n2C 587756120 QWHPFAGTFWVMAH-WIUDPPPLSA-N 417.322 5.021 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnc(C)nc4N)n3)c2C)c1 587924267 PECUNIKKPAQBAL-UHFFFAOYSA-N 407.568 5.287 10 1 HKCF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1cccc(C(=O)O)c1 1857774102 ABQUAISOCPNMCV-UHFFFAOYSA-N 418.537 5.107 10 1 HKCF O=C(O)/C(=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1 26842157 PAJNWHKWPTUINS-HKOYGPOVSA-N 416.480 6.757 10 1 HKCF C[C@H](/N=N/c1nc2ccccc2n1C)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730120 SIOGZUFEZPMMAW-DESRBJQCSA-N 408.845 6.030 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768348 UTNQERKPJLYUNT-OYHNWAKOSA-N 417.366 5.511 10 1 HKCF COc1ccc(CN(Cc2ccccc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 64503666 CIXIDMRVXDGRJV-UHFFFAOYSA-N 415.489 5.018 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587758962 ZECBMNGCJAYDFA-MCMMXHMISA-N 413.334 5.619 10 1 HKCF Oc1ccc2cc(Br)ccc2c1[C@@H](c1cccs1)N1CCCCC1 653723563 AJWQLWVAXUCYKI-HXUWFJFHSA-N 402.357 5.945 10 1 HKCF Cc1cccc(CCCCCCCC=CCCCCCc2cccc(O)c2O)c1O 2356416265 NTPMHTSAXIGAQI-UHFFFAOYSA-N 410.598 7.354 10 1 HKCF CC[C@@H](C)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28007311 XTSNNQCWHCMCJZ-MRXNPFEDSA-N 411.977 6.693 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1cccc(Cl)c1)c1nsnc21 219713640 BJSSKTDKCUFBLK-UHFFFAOYSA-N 408.891 5.271 10 1 HKCF CCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587794763 PZRXFXRMXKPXJS-MPBGBICISA-N 408.311 5.096 10 1 HKCF O=S(=O)(Nc1ccc(/N=N\c2ccc(O)c3ccccc23)cc1)c1ccccc1 6214090 NFTGEHUQQIZWGW-VHXPQNKSSA-N 403.463 5.762 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cccc(C)c4)n3)c2C)c1 587924323 RYCWJLDGYOMANS-UHFFFAOYSA-N 404.604 6.839 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@@H](C)N[C@H](C)C2 13359192 XJKBCFDZMXLQGI-HUUCEWRRSA-N 407.510 5.142 10 1 HKCF biogenic O=c1cc(-c2ccccc2)c2ccc(O)c(C3=NN[C@@H](c4ccc(Cl)cc4)C3)c2o1 45289497 NPBMEPVGGANRNN-LJQANCHMSA-N 416.864 5.258 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(C)(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276250 JRHLYAJBMJSTIC-JLHGSKIFSA-N 402.498 5.904 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(Cl)cc2O)N1 587692434 KRAXTCUNOJXZEV-QZTNRIJFSA-N 405.094 5.224 10 1 HKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587738795 CYORFBKBGJIJDW-ZSEKCTLFSA-N 421.354 5.067 10 1 HKCF Cc1ccc(O)c2c1[C@H](C)C[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949156 BQFRITHLZDDVJC-IQMFZBJNSA-N 417.471 5.122 10 1 HKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 169730135 LUWLGJQXHNRMPL-SJOCPNOISA-N 411.870 6.753 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587194692 ACNLWVGDDUPDII-UHFFFAOYSA-N 410.308 7.018 10 1 HKCF CCn1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587757355 UWWZAMDEVOJQSM-GTJPDFRWSA-N 401.323 5.495 10 1 HKCF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c1 587932511 FSKFNNNOVGGBGA-UHFFFAOYSA-N 423.472 5.986 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(Cl)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587272452 SULSPPUFESWWSZ-UVWXRNBGSA-N 416.268 5.308 10 1 HKCF O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cc2ccc(F)cc2)cc(O)c1O 84615625 HPXSGUABWVEREJ-UHFFFAOYSA-N 414.432 5.851 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cnn5cccc(Br)c45)[nH]c3c2)cc1 587007256 XIZOQVCSHPSJHD-UHFFFAOYSA-N 420.270 5.015 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccsc4)c3)[nH]c21 587026327 BXNHHPFONXWRIY-UHFFFAOYSA-N 406.466 5.734 10 1 HKCF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1Cc1c2nc2cccc3c2c1CC3 587214493 AXYZAHCKOAJKHU-LHHNYJJOSA-N 413.561 5.138 10 1 HKCF CCCN(CCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741692 OLKNLBKWNAUJRG-OYHNWAKOSA-N 419.382 5.838 10 1 HKCF CC[C@H](C)NCc1ccc2n1-c1ccccc1S[C@@H]2C1=CCC(OC)(OC)C=C1 28758062 RDSFERWSZRAZLX-GAJHUEQPSA-N 410.583 5.388 10 1 HKCF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@@]1(C)CCc2c(C)cc(O)c(O)c2O1 238789465 BTLRXKRGQQIJSD-UZAQLREFSA-N 412.614 7.689 10 1 HKCF Oc1ccccc1C1=NN(c2cccc(Cl)c2)[C@H](c2cc(F)c(O)c(F)c2)C1 299825889 CSCSBBSQLJHGCJ-IBGZPJMESA-N 400.812 5.385 10 1 HKCF Fc1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078368 OTPJBFFSSOZFBB-JKDFXYPNSA-N 418.697 5.944 10 1 HKCF CCN(CC)c1ccc(OC)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 653722488 VSWVKKOYGUXYRY-UHFFFAOYSA-N 402.926 5.142 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)ccc2O)N1 587822210 LTMYRPZWMXLRAY-MCMMXHMISA-N 412.302 5.584 10 1 HKCF Oc1cc2c3c(c1O)C=C[C@@H]1CCC[C@]31CC(c1cc(O)c(O)c3c(O)cccc13)=C2 2356770991 NDBSHPLPNRXPTH-QWXGXRTQSA-N 414.457 5.377 10 1 HKCF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)cc(O)c1O 14727534 LCRYGWPAHFISLY-NRFANRHFSA-N 424.493 5.233 10 1 HKCF biogenic CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C1CCCC1 587227206 WQDPQQATEXPQCV-OAQYLSRUSA-N 422.529 5.693 10 1 HKCF Nc1ccc(Oc2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)cc1 587949677 KPFDFUDJERUARY-YVLHZVERSA-N 419.484 6.900 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)O2 587381567 GUBZWSAWIBBALW-NRFANRHFSA-N 412.436 5.293 10 1 HKCF O=C(O)CCc1ccc(-c2cccs2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945151 JYAUOBITVGJVDT-HXUWFJFHSA-N 423.509 6.188 10 1 HKCF CCCN(CCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742436 RJAIENYSNFBMFW-OYHNWAKOSA-N 419.382 5.838 10 1 HKCF O=S(=O)(O)c1ccc(N=Nc2c(NNc3ccccc3)ccc3ccccc23)cc1 2356827927 IQSXWMLQLWBUQB-UHFFFAOYSA-N 418.478 5.941 10 1 HKCF COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)ccc1O 43011748 SZTIBRMUOHWXOA-DEDYPNTBSA-N 417.892 5.521 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)[C@H](CC=C(C)[C@H]1CC=C(C)C)C2=O 15268486 LTDXHSVIDXPYBK-UYPAYLBCSA-N 424.537 5.661 10 1 HKCF in-vitro O=c1ccn(CCNc2c3ccccc3nc3ccccc23)cc1OCc1ccccc1 169303097 MLPWPSNWLNCRTK-UHFFFAOYSA-N 421.500 5.241 10 1 HKCF Oc1c([C@@H](Nc2ccc(F)cn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 202334898 XVOHRENASVMKSR-IBGZPJMESA-N 414.267 5.983 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N(C)[C@@H]4C)c(C)cc(O)c12 95486155 LZTDUHSZESGGRE-HUUCEWRRSA-N 407.510 5.186 10 1 HKCF biogenic,in-vitro CC(C)(C)[C@@H]1COc2c(NCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 27555585 GYGKOSPLLSZXJO-QFIPXVFZSA-N 400.522 5.749 10 1 HKCF CCc1ccccc1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 222943778 POQVQZVUNKQRAY-UHFFFAOYSA-N 402.500 5.180 10 1 HKCF Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1ccc(S(C)(=O)=O)cc1 28822621 KRDJNCIZLJNZCU-UHFFFAOYSA-N 417.530 5.435 10 1 HKCF Cc1cc(Cl)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 100703038 LUPQRYWBCCNTNZ-QURGRASLSA-N 422.666 5.287 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)[C@@H](CC=C(C)[C@H]1CC=C(C)C)C2=O 15268484 LTDXHSVIDXPYBK-FIAZIHOUSA-N 424.537 5.661 10 1 HKCF in-vitro COc1c(CC=C(C)C)c(O)c2c(=O)c3cc(O)c(O)cc3oc2c1CC=C(C)C 28707610 NHJUGTUGZNCOKP-UHFFFAOYSA-N 410.466 5.089 10 1 HKCF biogenic CC1(C)CCC(C)(C)c2cc([C@@H](N=N)c3ccc4cc(C(=O)O)ccc4c3)ccc21 169714706 ACGUSLIOHUUQFO-QHCPKHFHSA-N 400.522 7.007 10 1 HKCF C[C@H](CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C 13735420 VIZZNTMFZJICBL-OAHLLOKOSA-N 401.503 5.035 10 1 HKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(C)cccc23)c1 27526272 LLZCQGZMCVXKGF-UHFFFAOYSA-N 401.466 5.501 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2Cl)N1 587696623 QCQGKQHAABXODX-YUNKPMOVSA-N 423.757 5.465 10 1 HKCF O=S(=O)(Nc1ccc(/N=N/c2ccc(O)c3ccccc23)cc1)c1ccccc1 101530114 NFTGEHUQQIZWGW-WCWDXBQESA-N 403.463 5.762 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272187 PFCIVGVFHLUKBI-VFVRVIDISA-N 415.280 5.913 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587276801 NNURWZLBPSKLHX-DDBGAENHSA-N 416.815 5.538 10 1 HKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)O2 587377976 LNMVCPAEVHOOFX-NRFANRHFSA-N 415.320 5.998 10 1 HKCF Cc1cc(-c2csc(Cc3c(F)cccc3Cl)n2)c(C)n1-c1ccccc1F 587922541 PWDUOUKKUJYSMK-UHFFFAOYSA-N 414.908 6.740 10 1 HKCF Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(-c2nc3ccc(F)cc3s2)cc1 96933004 DVNKZIMXDQTRSF-UHFFFAOYSA-N 402.469 7.008 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(N(C)C)ccc3O)cc2)c(F)c1 1911584146 WQZSREHRZGCVEW-MRXNPFEDSA-N 422.500 5.153 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3c2)cc1 587145475 LNSZKZPLMRHXME-UHFFFAOYSA-N 413.427 6.550 10 1 HKCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1CC=C(C)C)O2 14727520 FUQPQXVDOSVYKA-OAQYLSRUSA-N 424.493 5.233 10 1 HKCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(Cl)cc1Cl 45283626 GYCJYHNPBXBWTR-FQEVSTJZSA-N 412.276 5.086 10 1 HKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc3ccccc3c1)c1nsnc21 219735825 VNKCMCKJIDMLTL-UHFFFAOYSA-N 424.506 5.771 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)cc1 587194789 BDDYLENCPWCWSI-UHFFFAOYSA-N 419.510 5.115 10 1 HKCF Cc1ccc2c(ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c32)n1 587275652 FKCNGOKRLDEPAJ-NXHTTZLHSA-N 411.465 5.463 10 1 HKCF CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 13453008 WKMYTGFXVZCHSZ-UHFFFAOYSA-N 424.572 5.237 10 1 HKCF Cc1cccc(Cn2c(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 587390200 LFXOWADFOYEMIE-RUZDIDTESA-N 410.517 5.904 10 1 HKCF COc1ccc(-c2cnnc(/N=N/[CH-]c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 169693828 IPWYFLARQMZNCA-YYDJUVGSSA-N 415.389 5.009 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC3CCCC3)cc2O)N1 587806931 BRCLDOAGFPAITN-GTJPDFRWSA-N 420.322 5.239 10 1 HKCF O=C(c1ccc(-c2ccccc2)o1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71280543 VGJNRXMQJWJBGI-NRFANRHFSA-N 409.445 5.039 10 1 HKCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)Nc1ccc(Cl)cc1 1857648329 KBMIMIJMSIVOMR-XCVCLJGOSA-N 421.836 5.522 10 1 HKCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)c(Cl)c1)Nc1cccc2[nH]ncc12 14973541 ZDTTUYJJORJBME-IYBDPMFKSA-N 409.921 5.059 10 1 HKCF OC1=NC(=S)S/C1=C\c1cc(N2CCCCC2)ccc1OCc1ccccc1 28386802 YCHSEZKDGUHTDZ-ZHZULCJRSA-N 410.564 5.585 10 1 HKCF CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 82177916 LYWSKCJDLXQWEC-SFHVURJKSA-N 406.578 5.208 10 1 HKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587576286 IJVHPTYBGIZSSH-ZEQKJWHPSA-N 411.457 5.503 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599051 YWUXXVODOXITDK-OZXSUGGESA-N 415.489 5.394 10 1 HKCF Oc1c([C@@H](Nc2ccccc2)c2ccccc2)cc(Br)c2ccccc12 653787736 OCSHEBWCPJBUQL-QFIPXVFZSA-N 404.307 6.509 10 1 HKCF CCN1C(=Cc2ccc3cc(Br)ccc3[n+]2CC)C=Cc2ccccc21 1857537053 WORYXULYHYBIQK-UHFFFAOYSA-N 406.347 5.804 10 1 HKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 36471629 MCYUXMUOTORCNO-UHFFFAOYSA-N 402.485 5.419 10 1 HKCF Fc1cc(/C=C/c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(-c2ccncc2)c1 1857655250 RXTZOEXHPODFBT-DAFODLJHSA-N 413.540 5.590 10 1 HKCF Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587645475 BNZZXLZZSXILEI-UHFFFAOYSA-N 418.472 5.890 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587739146 GBWYUJJOVBKOCV-PEVJQDDCSA-N 417.366 5.723 10 1 HKCF COc1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)c(C)n2C 587757925 WDLVTEGRZBHHPF-MQJDWESPSA-N 417.322 5.021 10 1 HKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 963232461 SPJCZGWAUATFNT-MQNRADLISA-N 421.924 5.805 10 1 HKCF Oc1c(Cl)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 45339576 UERCBPIXITWGQE-UHFFFAOYSA-N 400.906 5.584 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 587048727 JSMQZOQEMRYKPP-HZPDHXFCSA-N 410.304 6.515 10 1 HKCF COc1cc(OC)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587196290 SAWRMKLDSDDTDE-UHFFFAOYSA-N 401.470 5.729 10 1 HKCF COc1ccc(Br)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1O 962662810 MIRTZVNHCBNYPQ-OAQYLSRUSA-N 410.311 5.065 10 1 HKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1 1857608432 SDAFYOOPZXWODV-UHFFFAOYSA-N 423.944 6.437 10 1 HKCF [N-]=[N+]=NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328353 JTIOTQUYULJCRJ-IRLDBZIGSA-N 423.831 5.749 10 1 HKCF COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1O 104702953 BOCAUQNSFOMURO-LFVRLGFBSA-N 418.518 6.091 10 1 HKCF CC[C@H]1CCC[C@@]12CC(c1cc(O)c(O)c3c(O)cccc13)=Cc1cc(O)c(O)cc12 85569198 PLJPZXRNBKWHMH-YHAMSUFESA-N 418.489 5.760 10 1 HKCF biogenic,in-vitro FC1(F)Oc2cc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3cc2O1 587078198 KNUUXBVCXGJYKT-PISHQANHSA-N 401.800 5.364 10 1 HKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1 587576283 IJVHPTYBGIZSSH-BVAGGSTKSA-N 411.457 5.503 10 1 HKCF COc1ccc2c(c1)C(C)(C)C(=CC=C[C@H]1N(C)c3ccc(OC)cc3C1(C)C)N2C 2356849686 PLRRQQDUTOVBOU-XMMPIXPASA-N 418.581 5.668 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3c2)cc1 587112552 OASCBIXOADWSJR-UHFFFAOYSA-N 420.394 6.171 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4cccn5c(Br)cnc45)nc3c2)cc1 587007387 JXLUCKDIQQLYPO-UHFFFAOYSA-N 420.270 5.015 10 1 HKCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@H](C)N(C)[C@H](C)C2 2356784927 QREAIJCLFRBKRM-CABCVRRESA-N 407.510 5.181 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cccc4ccccc34)[nH]c21 587969131 QROZYMSLSVLMRO-QINSGFPZSA-N 400.437 5.662 10 1 HKCF COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)[C@@H](C)N[C@@H](C)C2 13359198 XJKBCFDZMXLQGI-LSDHHAIUSA-N 407.510 5.142 10 1 HKCF biogenic O=c1cc(-c2ccccc2)c2ccc(O)c(C3=NN[C@H](c4ccc(Cl)cc4)C3)c2o1 45289494 NPBMEPVGGANRNN-IBGZPJMESA-N 416.864 5.258 10 1 HKCF CC(C)=CCc1c2c(c(O)c3c1O[C@@H](c1ccc(O)c(O)c1)CC3=O)CCC(C)(C)O2 85999626 LXBLJHYLZRJNSA-HXUWFJFHSA-N 424.493 5.122 10 1 HKCF biogenic,in-vitro CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)C1=Cc1ccc(C(C)C)cc1 1857621536 LYPPBXYTSZOSCM-UHFFFAOYSA-N 419.521 5.476 10 1 HKCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@H]4C)c(C)cc(OC)c12 2356708135 FXTOKXMBXDISIX-CABCVRRESA-N 407.510 5.147 10 1 HKCF CCn1c(/C=C/C=C2\Sc3ccccc3N2C)[n+](CC)c2nc3ccccc3nc21 13822043 FTOHVCIYMITLDG-UHFFFAOYSA-N 414.558 5.009 10 1 HKCF CCCCCOC[C@@H]1C[C@H](C[C@@H](C)/N=N/c2nc(-c3ccccc3)cs2)C(=O)O1 169687955 MZDDHFAEDSOAAM-JCMRKBSQSA-N 415.559 5.811 10 1 HKCF Cc1cccc(N[C@@H](c2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)n1 198990980 FYPUIPYMWVYSSE-FQEVSTJZSA-N 409.411 5.864 10 1 HKCF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(-c2cc(Cl)cc(Cl)c2)cc1O 963125758 TVVFKIYJPHAVPA-NRFANRHFSA-N 414.288 5.299 10 1 HKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C)cccc12 26844153 WUAXOVBNRFBWIQ-UHFFFAOYSA-N 421.522 5.129 10 1 HKCF COc1ccc(CCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 587924759 FHVHDDXXLJRXDC-UHFFFAOYSA-N 403.482 5.130 10 1 HKCF C[C@H](NC(=O)C(C)(C)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149931349 QSKVYCXWRXAOHU-KRWDZBQOSA-N 410.533 5.005 10 1 HKCF CC(C)(C)[C@@H]1COc2c(NCCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 3954934 FUVVDCPSQIWBOV-QHCPKHFHSA-N 414.549 5.791 10 1 HKCF CSc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)cc1 64448512 JNRUKHMBSGIOBY-UHFFFAOYSA-N 412.599 5.863 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O 38245762 YOYLZCNREONCKB-RIYZIHGNSA-N 406.478 5.122 10 1 HKCF biogenic,in-vitro CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O 587470541 KVQGLAPNPMXVJZ-RUZDIDTESA-N 403.522 6.076 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(Cl)c2O)N1 587694234 PRCLXVXRLKVYBD-QPFGOUBPSA-N 419.121 5.398 10 1 HKCF Cc1cc(N2CCCCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587763812 AAIGJZJEIYHIPP-IVZQSRNASA-N 417.366 5.511 10 1 HKCF Nc1ccc(Oc2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)cc1 587032555 KNFZMWVTEXQEDL-UHFFFAOYSA-N 412.518 5.945 10 1 HKCF CCn1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587754718 MFHSGTLZKNVNNC-XUSGNXJCSA-N 401.323 5.495 10 1 HKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962963668 ZPTUBBNUVJXMLC-LVXARBLLSA-N 403.614 6.588 10 1 HKCF CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)cc(O)c1O 14727603 DPLWUTYEBRKBLI-UHFFFAOYSA-N 422.477 5.300 10 1 HKCF endogenous,in-man O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O 15776797 ZWSBBYODLRMEQN-BYYHNAKLSA-N 421.456 6.178 10 1 HKCF CC1(C)Cc2c(c3ccccc3c3nc4c5cccnc5c5ncccc5c4nc23)O1 1857564826 ZLAFZSZBUBSCJA-UHFFFAOYSA-N 402.457 5.746 10 1 HKCF O=[P@@]1(Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)NCCCO1 28241486 FELLJVHKWWSNRR-LJAQVGFWSA-N 404.410 5.662 10 1 HKCF CC(C)c1cc(N2[C@H]3CCC[C@@H]2CC3)ccc1CNC(=O)Nc1cccc2[nH]ncc12 14973602 JLJUGCFWXPGENZ-KDURUIRLSA-N 417.557 5.529 10 1 HKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccc2ccccc2c1 103296296 JQMZSOVJVVBDQZ-AREMUKBSSA-N 420.577 7.961 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 587048718 JSMQZOQEMRYKPP-CVEARBPZSA-N 410.304 6.515 10 1 HKCF O=C(O)c1cccc2c(-c3ccccc3Br)c(-c3ccc(F)cc3)[nH]c12 587637383 BZTRAANDBKIRCY-UHFFFAOYSA-N 410.242 6.102 10 1 HKCF O=C(O)[C@@H]1CCCN(CC/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2)C1 1857635524 VEKOQBBJPGAFHP-DXWSDWHDSA-N 413.521 6.455 10 1 HKCF Cc1ccc(C)n1-c1ccc2c(c1)c(-c1ccccc1)c(C(=O)O)n2Cc1ccccc1 28462902 DCFQXKMJPRQSGV-UHFFFAOYSA-N 420.512 6.462 10 1 HKCF COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@@H]1N2CC=C(C)C 40836058 KEWZWBIFZYMPPG-IZLXSDGUSA-N 416.609 6.308 10 1 HKCF CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc2c1oc1oc3cc(O)ccc3c(=O)c12 85996582 WPDUQFCORDILFF-VGOFMYFVSA-N 420.461 6.044 10 1 HKCF biogenic,in-vitro COc1ccc2nc3cc(Cl)ccc3c(NC3CC(C)(C)N([O])C(C)(C)C3)c2c1 146350814 YVCUSWLQOOYIIF-UHFFFAOYSA-N 412.941 5.829 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)c(Cl)cc2O)N1 587695291 RBGQYYMXLICPNQ-RBHXEPJQSA-N 419.121 5.398 10 1 HKCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785322 LCBGZQPDNLKCHY-NSCUHMNNSA-N 418.293 5.191 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C=O)c2O)N1 587820512 DOWNVIWUNIGUKH-WLRWDXFRSA-N 420.322 5.027 10 1 HKCF Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922090 JZFWYJOIMHOQDM-UHFFFAOYSA-N 419.525 5.846 10 1 HKCF CCOc1ccccc1N=Nc1c(C)nn(-c2nc(-c3ccccc3)cs2)c1O 618011759 UBZKIJYXDHHDFN-UHFFFAOYSA-N 405.483 5.824 10 1 HKCF COc1cc(O)c2c(c1-c1ccc(O)c3c(OC)cc(C)cc13)C[C@H](C)N(C)[C@@H]2C 13359128 ANPZWXGVVSLGLN-LSDHHAIUSA-N 407.510 5.181 10 1 HKCF biogenic CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)cc1 587194757 AQTAUVCZOYGPCK-UHFFFAOYSA-N 421.407 6.033 10 1 HKCF Oc1cccc(CCCCC/C=C\CCCCCCCc2cccc(O)c2O)c1O 32303250 NAKZWEKDEOZWPV-IWQZZHSRSA-N 412.570 6.751 10 1 HKCF biogenic,in-vitro FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078386 PEIMMPQIZUQWGO-JKDFXYPNSA-N 424.253 6.715 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccccc4)c4ccccc14)[C@@H](C2)C3=O 587432582 WSVNQCPZOHYTLV-KDYSTLNUSA-N 409.485 5.495 10 1 HKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(Cl)cc2O)N1 587692431 KRAXTCUNOJXZEV-HYORBCNSSA-N 405.094 5.224 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(CCn4ccc(C)n4)n3)c2C)c1 587924317 RSOIFZOCFJBYGJ-UHFFFAOYSA-N 408.596 5.687 10 1 HKCF CC(C)=CCCC(C)=CCc1c(O)c(O)cc(-c2coc3cc(O)ccc3c2=O)c1O 2356727195 JVYKYLOUVXNIMK-UHFFFAOYSA-N 422.477 5.518 10 1 HKCF O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1O 45339181 UPLFXZLXSLLHMJ-UHFFFAOYSA-N 417.292 5.639 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2O)N1 587692766 HVBYFCSQHSIEEV-CQLKUDPESA-N 419.121 5.398 10 1 HKCF COc1ccc2c(c1OC)[C@H](c1cc(-c3ccccc3)cc(Cl)c1O)N(C)[C@H](C)C2 962635465 RQCYGRVRGXUYME-CMJOXMDJSA-N 423.940 5.696 10 1 HKCF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)n(-c2ccccc2)c2ccccc12 5596553 OHJQCJWNJKPXDO-DEDYPNTBSA-N 414.892 6.094 10 1 HKCF COc1ccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c2c1 40395021 XBVLAXJXAJJUCF-UHFFFAOYSA-N 407.473 5.568 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)cc1 587194730 AMJKJPXKQJUDJC-UHFFFAOYSA-N 410.308 7.018 10 1 HKCF COc1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(O)c1O 587784558 AEVJFSOEAVANLK-RMKNXTFCSA-N 415.474 5.430 10 1 HKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)c(-c3ccccc3)c2)cc1 587924997 DDBRYVBLUAOFGO-UHFFFAOYSA-N 413.473 5.543 10 1 HKCF Oc1cc2c(cc1O)CN(CC[C@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 13530679 SIFLOGBFKDRMCW-DEOSSOPVSA-N 409.913 5.320 10 1 HKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587751499 NAOQMQJUUIUDAZ-DMZKTXOQSA-N 413.334 5.619 10 1 HKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)ccc2O)N1 587822209 LTMYRPZWMXLRAY-DMZKTXOQSA-N 412.302 5.584 10 1 HKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@@H](C)C[C@]21NCCc2c1c(C(C)C)nn2C 962920033 QJOHCEXFGNZMFV-CPJLOUKISA-N 423.004 5.268 10 1 HKCF Cc1c([C@H]2CC(c3ccncc3)=NO2)c2ccccc2n1Cc1ccc(Cl)cc1 1857767177 NSNLIHHZBKOFEZ-HSZRJFAPSA-N 401.897 5.912 10 1 HKCF CCOC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O 39194406 IPBDHUUMWUKOAQ-UHFFFAOYSA-N 409.485 5.792 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc5ccccc45)c1C)[C@@H](C2)C3=O 587431742 QVPUEVHLGQUXSY-CUNXSJBXSA-N 409.485 5.745 10 1 HKCF Cc1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1F 587922911 YRXZRYBFZOWFKK-UHFFFAOYSA-N 416.443 7.043 10 1 HKCF Cc1c(CN2CCC[C@@H](O)C2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1 1857771525 PZWAJLAEXTUQGZ-RUZDIDTESA-N 406.545 5.672 10 1 HKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 29344825 ZTANKKKLEFOEDD-UHFFFAOYSA-N 406.873 6.005 10 1 HKCF CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12 31948114 WMNBBTZXLQOJOK-OAHLLOKOSA-N 404.385 6.617 10 1 HKCF COc1ccccc1Nc1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587240379 IYKKTDAEABYVOF-UHFFFAOYSA-N 422.488 6.357 10 1 HKCF COc1ccc(-c2cn(-c3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857751370 NSWIJEPHLGFGET-UHFFFAOYSA-N 413.860 5.582 10 1 HKCF CCCCC[C@@H](CC(=O)C[C@@H](CC(C)C)c1cc(O)c(O)c(OC)c1)OC(C)=O 2356350766 JLFRCTSBBQUCTI-XLIONFOSSA-N 408.535 5.097 10 1 HKCF CC[C@H](C)CCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 64491756 ZIYGPPWKTJHONC-QFIPXVFZSA-N 420.634 7.762 10 1 HKCF biogenic O=C1Nc2ccc(O)cc2/C1=C\c1c(Cl)n(CCc2ccccc2)c2ccccc12 169310828 IIHYOAFCYIHQBF-RCCKNPSSSA-N 414.892 5.736 10 1 HKCF Cc1ccc(-c2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(C)s2)cc1 587013509 YTNPUCXBPNHAGY-UHFFFAOYSA-N 412.518 6.345 10 1 HKCF CCc1ccc(-c2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cs2)cc1 587016515 XMFDZKNKQKLQLT-UHFFFAOYSA-N 412.518 6.290 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3c2)cc1 587060370 DCPYSMHBBBUTCW-UHFFFAOYSA-N 402.841 5.913 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c3c2)cc1 587230809 ZWRNYYVWFKVXMJ-UHFFFAOYSA-N 407.477 5.612 10 1 HKCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@H](C)N(C)[C@@H](C)C2 2356784928 QREAIJCLFRBKRM-GJZGRUSLSA-N 407.510 5.181 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)cc1 586983335 ZBMMBZSJNAPOSF-UHFFFAOYSA-N 408.255 5.179 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4c(c3[nH]1)CCCC4)[C@H]1CC=C[C@@H]21 587275392 DARTZVZEUHWCJM-STSQHVNTSA-N 400.482 5.485 10 1 HKCF CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627681 IEICHMYJTCAURS-UHFFFAOYSA-N 424.388 7.235 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(Cl)cc2O)N1 587691830 ISBQWZJSSOWQEM-VGDKGRGNSA-N 405.094 5.224 10 1 HKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1 587751501 NAOQMQJUUIUDAZ-WHEQGISXSA-N 413.334 5.619 10 1 HKCF Cc1ccc(C)n1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587758967 ZECBMNGCJAYDFA-XMHCIUCPSA-N 413.334 5.619 10 1 HKCF CC[C@@H](C)NCc1ccc2n1-c1ccccc1S[C@@H]2c1ccc(OC)cc1OC 13651968 KINZMPRXMDYDFD-VOIUYBSRSA-N 408.567 5.578 10 1 HKCF CN(C)c1ccc(-c2nc3cc(NC(=O)OCc4ccc(Cl)cc4)ccc3o2)cc1 38232041 LTRPYCPPYWCBNG-UHFFFAOYSA-N 421.884 5.963 10 1 HKCF Cc1cc(C(C)(C)C)ccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12 103965964 SQUVFSHKZDIQCW-OCOZRVBESA-N 424.457 5.385 10 1 HKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C(C)C)cc4)c1C)[C@@H](C2)C3=O 587430653 KNRIXJGTCSHWEY-NVQXNPDNSA-N 401.506 5.715 10 1 HKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3ccc(OC)cc3O)cc2)c(F)c1 1911574607 IRERIFCKEVZBKI-HNNXBMFYSA-N 409.457 5.096 10 1 HKCF COc1ccc2c(c1)CCc1c-2cc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1 39194400 ICFNECVXYPJYQX-UHFFFAOYSA-N 411.457 5.322 10 1 HKCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ccc(Cl)cc12 40874981 YVOBRBCQPONPDW-UHFFFAOYSA-N 411.892 6.213 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596122 RARNDGAEAZFZRR-DHLKQENFSA-N 401.462 5.004 10 1 HKCF CC1CCN([C@@H](c2ccccc2)c2c(O)ccc3cc(Br)ccc23)CC1 653708461 KFVQSVNWKFTNSI-QHCPKHFHSA-N 410.355 6.129 10 1 HKCF CCCN1CCCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764644 GLXMWUZYNGEWCD-JLCFBVMHSA-N 417.366 5.374 10 1 HKCF C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CN=[N+]=[N-] 1857634670 VJQWSWGMQQNCRU-PUHDZGQXSA-N 417.553 6.163 10 1 HKCF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cc1 586879662 IGHFKOLOKNLRJT-UHFFFAOYSA-N 419.484 6.474 10 1 HKCF Cc1c(C[C@H](N)c2ccccc2)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1 1857538041 AOLGOUBHZYMHOC-LJAQVGFWSA-N 416.568 6.908 10 1 HKCF CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(CC=C(C)C)C(=O)c1c(cc(O)c(C)c1O)C2=O 33984417 SPBCICJVKKIBOS-QTDPTHNZSA-N 424.537 5.732 10 1 HKCF in-vitro C[C@@]1(c2ccc(O)c(CN3CCCCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513877 LOBSADUPLUTLRI-MHZLTWQESA-N 419.565 5.528 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587742896 UXWZOWIUYIQXAE-LFSGMQCJSA-N 417.366 5.723 10 1 HKCF O=C1/C(=C\c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1 1772644353 MBSKSGCZEZBZNM-CYVLTUHYSA-N 402.291 5.920 10 1 HKCF CCN(CC)CCCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 13557623 PJIBLJQAPRUBQT-KRWDZBQOSA-N 413.993 6.363 10 1 HKCF Cc1ccc(-c2cccc(C(=O)O)c2)n1-c1cc(Cl)ccc1OCc1ccccc1 36409793 REDVMSVSZWHGSE-UHFFFAOYSA-N 417.892 6.383 10 1 HKCF CCCc1ccc(-n2c(-c3ccc(OC)cc3)cc(CN3CCSCC3)c2C)cc1 64437185 KVIISNUIBNPJDT-UHFFFAOYSA-N 420.622 5.963 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1cccc(F)c1 169351644 BYVZMNCGHRDWJH-HSZRJFAPSA-N 400.478 6.496 10 1 HKCF O=C(O)c1cc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3c2CCCC3)ccc1O 39194375 SJAJOTJZSULTMK-UHFFFAOYSA-N 409.485 6.094 10 1 HKCF Oc1ccccc1CN1CCC[C@H](COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 45194589 RZALWFIGNISILG-IBGZPJMESA-N 423.503 5.689 10 1 HKCF CC1(C)CC2=Nc3ccccc3N[C@H](c3cc(Br)ccc3O)C2=C(O)C1 103996843 NOINKWMDEHLCMX-HXUWFJFHSA-N 413.315 6.026 10 1 HKCF CCc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 473113005 FHXHTFBIUGFXJD-UHFFFAOYSA-N 402.500 5.180 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587739144 GBWYUJJOVBKOCV-DKIJCRCPSA-N 417.366 5.723 10 1 HKCF COc1ccc(/C=C/Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c1 587929060 LLEYKDQCVADOCB-ONEGZZNKSA-N 401.466 5.211 10 1 HKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(Br)cc43)c(Cl)[nH]c2cc1C 58591195 ZOQBRSQXXXIAJI-VGOFMYFVSA-N 417.690 5.394 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)ncc3[nH]1)[C@@H]1CC=C[C@H]21 587271481 CPLHTGDOIRPJKE-IUUKEHGRSA-N 415.375 5.020 10 1 HKCF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587787770 RFCDCGIQCUWZDG-UHFFFAOYSA-N 401.466 5.070 10 1 HKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4o3)cc2)cc1 29128731 CQFHPHMITSPHGZ-SNAWJCMRSA-N 416.496 6.470 10 1 HKCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 45283628 GYCJYHNPBXBWTR-HXUWFJFHSA-N 412.276 5.086 10 1 HKCF CC(C)c1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351645 QXQQQKBOWUUMHV-AREMUKBSSA-N 424.569 7.480 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)cc1 587048729 JSMQZOQEMRYKPP-JKSUJKDBSA-N 410.304 6.515 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726182 VVMCGTFMPDIGBT-FKIZINRSSA-N 409.318 5.197 10 1 HKCF CN1CCc2cc(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)cc2[C@@H](c2ccccc2)C1 58487654 IYQILANVZYXSBD-CKOJHNACSA-N 418.625 5.413 10 1 HKCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(C(C)C)c1O 28016855 OCAZOXCXZACMSE-UHFFFAOYSA-N 413.949 5.541 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CNC(C)C)c3)c2c1 45323809 CZMDFXSWWFECRV-UHFFFAOYSA-N 421.928 5.997 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587743169 WAVCXMDZEYTNIU-YEJXKQKISA-N 421.354 5.067 10 1 HKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](Cc3ccco3)C2)ccc1O 28653318 MHWLLNBECBNWIQ-GOSISDBHSA-N 405.523 5.020 10 1 HKCF O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1sc2c[nH]nc2c1O 36185170 RXCNJHIALIMGAC-UHFFFAOYSA-N 419.384 5.393 10 1 HKCF COc1c(O)c(C=O)c2c(c1C(C)C)C(=O)[C@@]1(C)CC=C(C)[C@@H](CC=C(C)C)[C@H]1C2=O 59066701 JIBJRIUIIPXXGN-LVARUYSCSA-N 424.537 5.661 10 1 HKCF in-vitro Cc1ccc(C)n1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587755688 PWMXEOOWWZKKJV-MCMMXHMISA-N 413.334 5.619 10 1 HKCF C[C@]1(c2ccc(C(F)(F)F)cc2O)NC2(CC2)Cc2ccc(Br)cc21 961321434 JQPYKLFOCWWDFZ-QGZVFWFLSA-N 412.249 5.115 10 1 HKCF CCCc1c(OCCCCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 27089401 GBQGCBWGUXNDLT-UHFFFAOYSA-N 402.487 5.026 10 1 HKCF CCCCCCNc1ccc2c3c(nn2CCN(CC)CC)-c2ccccc2C(=O)c13 28758311 VUZAJZADBJQSFD-UHFFFAOYSA-N 418.585 5.582 10 1 HKCF NCc1cc(-c2ccc(C=CC(=O)O)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356283036 AMIBHLJAOQTPCB-UHFFFAOYSA-N 403.522 5.155 10 1 HKCF CCCCC[C@@H](CCCC)[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356365108 FMKUEHPHNWKTOZ-KNQAVFIVSA-N 422.562 5.317 10 1 HKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)C12CC3CC(CC(C3)C1)C2 103966541 NNIYURQOIYEFMU-GHVJWSGMSA-N 402.292 5.463 10 1 HKCF CCN(CC)c1ccc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587739147 GBWYUJJOVBKOCV-VYCMEZSVSA-N 417.366 5.723 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1CCCc1ccc(Cl)c(Cl)c1 587943408 ZRPZMVJYHLRSAI-UHFFFAOYSA-N 402.321 6.112 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3-c3ccc(O)cc3)[nH]c21 586899129 UKVQCAUTQSJOIQ-UHFFFAOYSA-N 416.436 5.378 10 1 HKCF C[C@H](NC(=O)C1CC=CC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149963216 UDTSGBSHBSEFGL-IBGZPJMESA-N 416.565 5.223 10 1 HKCF CCn1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1=O 1857555197 IGHVDHNORPFTMD-LLVKDONJSA-N 422.287 5.098 10 1 HKCF CC(C)(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 64454058 ZMOHESOZDRVQMU-QJOMJCCJSA-N 424.500 5.517 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(C)(C)C)c3[nH]1)[C@@H]1CC=C[C@H]21 587276980 PCFGWWJAZCQMJE-MRUHUIDDSA-N 402.498 5.904 10 1 HKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1 587497388 ALKCZMHNRKNYPM-XMMPIXPASA-N 405.925 6.333 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4ccc(C)n4)n3)c2C)c1 587924119 GNEQOGGLGJRARX-OAHLLOKOSA-N 422.623 6.248 10 1 HKCF CCc1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1 26849194 HDOGJWXQCBATDN-UHFFFAOYSA-N 421.522 5.074 10 1 HKCF CN1/C(=C\C=C\C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc21 5002500 CAQVGTGTLHVPML-UHFFFAOYSA-N 407.581 6.714 10 3 HKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccc(C)cc3nc3c(C)cccc23)cc1 26842778 LHPAXWWCMDLRQP-UHFFFAOYSA-N 405.523 5.510 10 1 HKCF Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3noc(-c4ccc(Cl)cc4)n3)C2)cc1 96911222 PXHFGPKDKKPOQQ-OAQYLSRUSA-N 416.868 5.451 10 1 HKCF Cc1cc(C)n(C[C@@H](C)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922638 RQZSWMGPJVXEGW-CQSZACIVSA-N 408.546 5.974 10 1 HKCF Cc1sc2c(c1C)CCN[C@H]2c1cc(C)n(-c2cccc(Br)c2)c1C 963015421 BFNNDIBWOMWOKP-FQEVSTJZSA-N 415.400 5.770 10 1 HKCF COc1ccc([C@@H]2COc3c(ccc4c3C=C[C@@](C)(CCC=C(C)C)O4)C2)c(O)c1O 14614052 GRHKVSQNMXZXME-HFJWLAOPSA-N 422.521 5.736 10 1 HKCF biogenic COC(=O)c1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2c(F)c1Nc1ccccc1 587259298 CAIAKYJNDNKPBM-UHFFFAOYSA-N 410.453 5.645 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596123 RARNDGAEAZFZRR-RCZVLFRGSA-N 401.462 5.004 10 1 HKCF CC1(C)CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n(-c3cccc(Cl)c3)c2C1 28873268 BDYNWPWPUAWYCZ-UHFFFAOYSA-N 409.873 5.018 10 1 HKCF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)[C@H](C)C2 40933060 QRORZUAXTXEKKG-IAGOWNOFSA-N 421.537 5.695 10 1 HKCF biogenic Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccccc2Cl)C1 29045658 IKGWWMBDFSWXDR-FQEVSTJZSA-N 407.926 5.594 10 1 HKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1 103272221 XCNPWKUYGFAEDB-QFIPXVFZSA-N 404.962 7.462 10 1 HKCF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3c(C(=O)O)cccc23)cc1 587638082 IXDSOXXEOFSYSF-UHFFFAOYSA-N 412.272 6.516 10 1 HKCF FC(F)(F)c1ccc(Cl)c(/N=N\Nc2cc(C(F)(F)F)ccc2Cl)c1 27981713 XMDFHLSKXPCBAJ-UHFFFAOYSA-N 402.125 7.142 10 1 HKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccccc2Cl)C1 40836241 IKGWWMBDFSWXDR-HXUWFJFHSA-N 407.926 5.594 10 1 HKCF Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 84668407 QSRWHYLXJPFUJI-VXQMPNGUSA-N 402.582 5.473 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587726183 VVMCGTFMPDIGBT-MPBGBICISA-N 409.318 5.197 10 1 HKCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C 587871704 NLWVTTRYVNEDPS-UHFFFAOYSA-N 403.457 5.184 10 1 HKCF Cc1cc(N2CCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596125 RARNDGAEAZFZRR-WIOPSUGQSA-N 401.462 5.004 10 1 HKCF CSc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2O)o1 98082156 SKKCGKRWHXRLSL-UHFFFAOYSA-N 418.503 5.503 10 1 HKCF Cc1cc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)c(C)n1-c1ccccc1F 587922803 WQKMBFIPGJHANK-UHFFFAOYSA-N 417.336 7.331 10 1 HKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962963676 ZPTUBBNUVJXMLC-RLWLMLJZSA-N 403.614 6.588 10 1 HKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc2n[nH]nc2c1 28822659 AYJUIAGESMWXBZ-UHFFFAOYSA-N 414.896 5.956 10 1 HKCF Nc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)N(CC2CCC2)CC4)cc1 40976681 HHYBRMOEHYGPAR-KWXIBIRDSA-N 418.581 5.035 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)cc2)N1 587768782 WDXRQRQYLMKTRG-NYHFZMIOSA-N 417.366 5.376 10 1 HKCF Cc1ccc(-c2ccc(CCC(=O)O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)s1 587945694 PMSXKEPVUZCJAT-IBGZPJMESA-N 420.437 5.164 10 1 HKCF Cc1ccc(N2C(=O)/C(=C\c3ccccc3)C=C2c2ccccc2)c(Br)c1 1772614674 GBXFHKVXWXTPBN-HKWRFOASSA-N 416.318 6.229 10 1 HKCF Oc1c(-c2n[nH]c(=S)o2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 103176933 TXIXZPRWGCJICQ-UHFFFAOYSA-N 404.476 5.443 10 1 HKCF COc1ccccc1-c1cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc2o1 169349590 ZMOHHBZMLZUBGO-UHFFFAOYSA-N 420.553 5.264 10 1 HKCF CSc1ccc(-c2ccc(C)n2-c2cccc(Br)c2[N+](=O)[O-])cc1 587937695 WBJYBBIRYWPWIZ-UHFFFAOYSA-N 403.301 5.845 10 1 HKCF Cc1cnc(SC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378105 ULRFZUUMAUYJIL-WIYYLYMNSA-N 415.511 5.206 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2O)N1 587709448 AAWHYTFKZDUDED-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF Cc1cc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587921806 AFHOTYDYJLGKNL-UHFFFAOYSA-N 414.546 5.976 10 1 HKCF COCCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cn1 587921867 DANXFYWSAGKDQY-UHFFFAOYSA-N 423.513 5.444 10 1 HKCF C[C@]1(c2cccc(F)c2O)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817825 QIIRZIHYCRRETC-RUZDIDTESA-N 402.469 5.001 10 1 HKCF Cc1c(CNC2CCCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 1857567389 LTGANURBRCTQGC-UHFFFAOYSA-N 410.964 7.058 10 1 HKCF Cc1cc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)c(C)n1-c1ccccc1F 587921833 BPWYFGTUFLVPRW-UHFFFAOYSA-N 419.525 6.208 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(COC(=O)C(C)(C)C)n3)c2C)c1 587924322 RXPUQHDLZAUMDM-UHFFFAOYSA-N 414.596 6.029 10 1 HKCF CN(C)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C(F)(F)F)c1 962714786 SZAKZTGPPWIIHH-QVKFZJNVSA-N 424.507 5.364 10 1 HKCF CN1c2ccccc2C(=CN=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 377840123 DNZKRMUOGHAEIU-UHFFFAOYSA-N 409.898 5.652 10 1 HKCF [N-]=[N+]=NCCCc1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1 1772608818 ISNOJYJWJCPUBC-UHFFFAOYSA-N 413.618 8.177 10 1 HKCF Oc1c(Br)cccc1CNc1nc2ccc(Br)cc2s1 1772647726 IYBRMTBFBVYBMI-UHFFFAOYSA-N 414.122 5.139 10 1 HKCF CN(C)c1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccccc2)cc1 5797925 YNRUSUDVGOYIIE-XMMPIXPASA-N 409.489 5.215 10 1 HKCF COc1ccc2nc3ccccc3c(Nc3ccc(NP(=O)(OC)OC)cc3)c2c1 26000622 YOBIULUUABDVBB-UHFFFAOYSA-N 423.409 5.953 10 1 HKCF CC(C)=CCC/C(C)=C/COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O 71281376 ZGAJOUKZWYWMRK-SFQUDFHCSA-N 406.478 5.943 10 1 HKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC=CC4)cc3)C2)cc1 96173011 CNCSIHZFKPFBPQ-LJQANCHMSA-N 405.538 5.382 10 1 HKCF CCCCc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922829 XLZZZAKSDSHQBN-UHFFFAOYSA-N 404.554 7.366 10 1 HKCF CCCCC[C@@H](CCCC)[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356365107 FMKUEHPHNWKTOZ-DENIHFKCSA-N 422.562 5.317 10 1 HKCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N(C)[C@H]3C)c2cc(C)cc(OC)c12 2356723934 XPNIPHCKKGOJOU-CABCVRRESA-N 407.510 5.181 10 1 HKCF COc1ccc2c(c1)-c1nc3c(CN4CCCCC4)c(O)c(OC)cc3cc1CS2 103268089 AEYIGZWKVHMXHN-UHFFFAOYSA-N 422.550 5.216 10 1 HKCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CN3CCCCCC3)c1)CC2=O 587476621 VTGCSPRIZYWASQ-SANMLTNESA-N 423.553 5.307 10 1 HKCF Cc1ccccc1-c1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587959952 SYAWIDUVWBJDLR-UHFFFAOYSA-N 405.501 6.504 10 1 HKCF O=C(O)[C@H]1CCCN(CC/C=C/c2cccc(/N=N/c3cccc4ccccc34)c2)C1 1857644585 XPFBDFBVESCJJA-CNWYNHCPSA-N 413.521 6.455 10 1 HKCF Nc1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)cc1 587109668 RPMNPCGIEFLRLI-UHFFFAOYSA-N 413.355 5.321 10 1 HKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c21 587175080 PPPXTAMWXWTFNS-UHFFFAOYSA-N 415.811 5.279 10 1 HKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N4CCCCC4)c3)c2c1 40394386 HEHRBFBGRFHCQB-UHFFFAOYSA-N 417.940 6.784 10 1 HKCF CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1 45498132 HYIHRZMKSJARFU-UHFFFAOYSA-N 408.586 6.093 10 1 HKCF CC(C)=CC[C@@H]1C(C)=CC[C@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@H]12 59065199 FMJIKKXSIVRJGO-JUCRVNNTSA-N 410.510 5.358 10 1 HKCF in-man,metabolite Cc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587765314 JIUHHXWPLXJHFU-LHSJRXKWSA-N 403.339 5.120 10 1 HKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3)cc2O)N1 587823961 XUTQFIKIYVQLNN-XMHCIUCPSA-N 412.302 5.584 10 1 HKCF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1cc(Br)ccc1O)NCC2 962087267 DFWQLKMGJNHWNK-JOCHJYFZSA-N 412.302 5.040 10 1 HKCF CC(C)C=Cc1c(O)c(C=CC(C)C)c2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356725759 SOJXHIUZAHCLFY-OAQYLSRUSA-N 424.493 5.554 10 1 HKCF [N-]=[N+]=NCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 13518731 CRIGPQWXFGQMSD-UHFFFAOYSA-N 411.362 6.118 10 1 HKCF O=C(Cc1ccccc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26935290 KFOZTMBTDOTLMI-UHFFFAOYSA-N 403.485 6.313 10 1 HKCF CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95586308 HUMIWYMGKVOYIQ-UHFFFAOYSA-N 414.615 5.365 10 1 HKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)c(F)c4)n3)c2C)c1 587924355 UHEDUNZCYXNGES-UHFFFAOYSA-N 408.567 7.054 10 1 HKCF COc1cc2c(c(OC)c1)[C@@H](C)N(c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)C2 40933056 QRORZUAXTXEKKG-DLBZAZTESA-N 421.537 5.695 10 1 HKCF biogenic Cc1c(Sc2ccc(Cl)cc2)c2c(-c3cnccn3)cccc2n1CC(=O)O 73169891 MHBLRRVMUPLWSD-UHFFFAOYSA-N 409.898 5.296 10 1 HKCF CC(C)=CCc1cc2c(cc1O)OCc1c-2oc2c(CC=C(C)C)c(O)c(O)cc12 43061311 LGLLDPCJEPLYCU-UHFFFAOYSA-N 406.478 6.126 10 1 HKCF biogenic CN1CCc2cc(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)cc2[C@H](c2ccccc2)C1 101717892 IYQILANVZYXSBD-CRRLPVGBSA-N 418.625 5.413 10 1 HKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1F 587922298 NTSFIPFHVPYRDR-UHFFFAOYSA-N 410.489 6.562 10 1 HKCF CSc1ccc(-c2ccc(C)n2CC2CCN(Cc3ccc(F)cc3)CC2)cc1 587945969 HUYYYYYFFZHLJC-UHFFFAOYSA-N 408.586 6.237 10 1 HKCF Cc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1ccc(N(C)C)cc1 962671297 UETXBKGGCHOAEW-GDLZYMKVSA-N 421.588 6.062 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587743168 WAVCXMDZEYTNIU-LRTDBIEQSA-N 421.354 5.067 10 1 HKCF COc1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 587924283 PUUZHFXAFVIFQB-UHFFFAOYSA-N 406.576 6.615 10 1 HKCF NCc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1O 28825686 IVRKFAIITPUIGS-ZZXKWVIFSA-N 403.522 5.084 10 1 HKCF CN(C)c1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 40556542 HUZDSTZYTXBRMO-UZZDNBOTSA-N 403.566 5.369 10 1 HKCF in-vivo CC(C)c1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351646 QXQQQKBOWUUMHV-SANMLTNESA-N 424.569 7.480 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN(C)Cc3ccccc3)c2)c(F)c1 1857573957 XWZIQAAEUPPZQU-QGZVFWFLSA-N 407.485 5.107 10 1 HKCF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586915845 ISGBXIAPXFEKNT-CPJSRVTESA-N 413.477 5.154 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(F)(F)F)c2O)N1 587712383 PFKPDTCVXUCVAN-VVVCHXIZSA-N 418.228 5.110 10 1 HKCF COc1cccc2c(-c3c(O)cc4c(c3O)[C@H](C)N(C)[C@H](C)C4)c(C)cc(OC)c12 13359050 WRXPLBVTINZPLM-CABCVRRESA-N 407.510 5.181 10 1 HKCF biogenic COc1cc(O)c2ccccc2c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864574 ARPUGEZSWJIZMR-GHVJWSGMSA-N 424.434 5.075 10 1 HKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cc1 587195753 MARTZNGUGQYSIM-UHFFFAOYSA-N 420.314 6.474 10 1 HKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277352 UGWHDOHTQFOWRI-PISHQANHSA-N 400.360 5.023 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3)cc2O)N1 587823958 XUTQFIKIYVQLNN-MCMMXHMISA-N 412.302 5.584 10 1 HKCF O=C(O)CCc1ccc(-c2ccccc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946811 YCQWMISTOVXGCB-HSZRJFAPSA-N 417.480 6.127 10 1 HKCF COc1ccc2ccccc2c1-c1cc(C(=O)N=Nc2c(O)[nH]c3ccccc23)n[nH]1 617960159 SHVATMAYPNYDKM-UHFFFAOYSA-N 411.421 5.350 10 1 HKCF Cc1ccsc1[C@H](NC(=O)c1ccccc1)c1cc(Cl)c2cccnc2c1O 653746730 YNQCLJVWTGPRRD-LJQANCHMSA-N 408.910 5.483 10 1 HKCF O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)c(C(F)(F)F)cc1O 39194358 ZSZOIKBPDIWHOQ-UHFFFAOYSA-N 401.384 5.446 10 1 HKCF Oc1ccc2ccccc2c1[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(O)CC1 72178380 OUOCKOJWAFVZMI-QFIPXVFZSA-N 402.321 5.398 10 1 HKCF CN(C)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C(F)(F)F)c1 962714788 SZAKZTGPPWIIHH-VFNWGFHPSA-N 424.507 5.364 10 1 HKCF O=C1NC(=S)S/C1=C\c1ccc(Sc2ccc3ccccc3c2)c([N+](=O)[O-])c1 96174924 LPEKQYWPYIGVIB-ZDLGFXPLSA-N 424.528 5.388 10 1 HKCF O=C(Cc1ccc(Br)c2ccccc12)N=Nc1c(O)[nH]c2ccccc12 617960330 YSYHYRDKKUZSCN-UHFFFAOYSA-N 408.255 5.642 10 1 HKCF COc1cc2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(Cl)n(C)c2cc1C 28655937 RBOWYQFQCLFMNA-YBFXNURJSA-N 402.881 5.795 10 1 HKCF CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1 1772571016 VEKLXLPNIVDMMT-ULJHMMPZSA-N 423.512 5.951 10 1 HKCF FC(F)(F)c1cc(Cl)ccc1/N=N/Nc1ccc(Cl)cc1C(F)(F)F 72178315 PHXINARWTCRZKM-UHFFFAOYSA-N 402.125 7.142 10 1 HKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccccc1Cl 169351657 ZMZNMUSDQUZKMJ-HSZRJFAPSA-N 416.933 7.010 10 1 HKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)c(F)c2)N1 587724476 IGMABIZBBHGWMP-ASSNKEHSSA-N 421.329 5.125 10 1 HKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587742329 QRZUCOUOHARLPV-SPLOXXLWSA-N 405.355 5.366 10 1 HKCF Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1 1857545146 HKHZCGLOODLGDB-DQSJHHFOSA-N 412.577 5.136 10 1 HKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3ccc(OC)cc3O)cc2)c(F)c1 1911574608 IRERIFCKEVZBKI-OAHLLOKOSA-N 409.457 5.096 10 1 HKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)ccc(C)c12 29473487 ZIKHYVSESBCQEZ-UHFFFAOYSA-N 420.538 5.162 10 1 HKCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1 95590023 LYYHNTHHOBIREI-UHFFFAOYSA-N 422.594 5.065 10 1 HKCF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCCC4)c3)nc3ccc(O)c1c23 586988230 NQDMVCBBZMURML-UHFFFAOYSA-N 422.484 5.120 10 1 HKCF Oc1cc(OC2CCCC2)ccc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961618189 XWJOCCUYEBTNFG-OAQYLSRUSA-N 414.343 5.244 10 1 HKCF CC1(C)CCc2c(c3ccccc3c3nc4c5cccnc5c5ncccc5c4nc23)O1 1857569115 UINKCAPSRHFEFU-UHFFFAOYSA-N 416.484 6.136 10 1 HKCF Nc1ccc(Oc2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)cc1 587956134 VNUVMWTXQCNJQZ-XMMPIXPASA-N 405.501 6.312 10 1 HKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2cccs2)[nH]n1 617960092 XYKGXHAXMAAKBS-UHFFFAOYSA-N 416.260 5.012 10 1 HKCF