smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccncc1 863207 WLXYGYICYKRFPR-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA C/C(=N\NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1)c1ccc(Br)cc1 1192015 QXVWXVUGKCLRNR-LNOXHEFASA-N 407.337 3.877 50 50 HHGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc(OC)c1OC 4329580 HWJRVKSSAXVUJJ-ZVBGSRNCSA-N 413.257 3.548 50 50 HHGA C/C(=N\NC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1 25781570 SMJMORWFRMKXRA-ZVBGSRNCSA-N 409.664 3.777 50 50 HHGA CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCSSCCC(=O)O)c1F 1875389016 YNJKXULNLQPRGK-UHFFFAOYSA-N 418.512 3.759 50 50 HHGA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 4819696 BWQWNKSGRBXXRM-ZNZDAUKMSA-N 408.410 3.740 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1Br 1231692 LWEJQIGZXUGCHH-SFHVURJKSA-N 400.276 3.742 50 50 HHGA CN1C(=O)/C(=N\NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2ccccc21 1234299 SUCYHAKXVYMRDN-JCMHNJIXSA-N 412.660 3.523 50 50 HHGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 786549 YXXMAXHEJPGERG-OAQYLSRUSA-N 419.506 3.927 50 50 HHGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)OCC)C(O)=N1 8971508 IHNADNXWVBEOFC-HOTGVXAUSA-N 422.890 3.604 50 50 HHGA COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1OC 12336301 PORWWRQKDWMLQF-RTBURBONSA-N 403.862 3.698 50 50 HHGA in-vitro C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1ccc(Cl)cc1 17082280 PEPRMYNKSNGDQN-SNVBAGLBSA-N 401.772 3.979 50 50 HHGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2=O)cc1 1211042 JPIIUWCECIMCPQ-OWGFIJSYSA-N 406.269 3.505 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1OC 2529688 HLMQMVYFXOYWNW-MFKUBSTISA-N 418.449 3.995 50 50 HHGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230167 QMCDRACIGGWZNX-JJDBKLRKSA-N 405.479 3.916 50 50 HHGA Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)c1 4624524 VPFDVMTXEOILLH-DEOSSOPVSA-N 414.440 3.545 50 50 HHGA COc1ccc2nc(NC(=O)CCCC(=O)OC(CCl)CCl)sc2c1 2103067 OJWACBRKGCFSTJ-UHFFFAOYSA-N 405.303 3.803 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSCc1ccc(Cl)cc1 5433589 PPFGQEJPTGAANS-SSDVNMTOSA-N 414.918 3.923 50 50 HHGA CCOC(=O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[nH]n1 203787229 WIFRPTFZPOPLBL-UHFFFAOYSA-N 408.574 3.663 50 50 HHGA CC(=O)c1cccc(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 2853225 FRJCQDRZVGOOLK-UHFFFAOYSA-N 403.866 3.863 50 50 HHGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 4372703 QHTOESIEJPDLHT-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA Cc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)cc1 4231472 MOLLBXPQTFWTHU-UFWORHAWSA-N 411.097 3.866 50 50 HHGA C=CCOc1ccccc1/C=N/NC(=O)c1ccccc1I 4372587 QDHBJNFDDRSXPA-XDHOZWIPSA-N 406.223 3.620 50 50 HHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@]1(C)CC1(Br)Br 2103037 WOXRULFJDNMOBW-LLVIWDJBSA-N 413.113 3.823 50 50 HHGA CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 1080052 VYCOYLGBWAASHL-KRWDZBQOSA-N 402.589 3.999 50 50 HHGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1Cl)C(=O)N2C 15018527 DZRTZESKZWFFBP-ZHZULCJRSA-N 406.667 3.521 50 50 HHGA O=C(CCl)NC[C@H](NC(=O)c1noc2c1CCCC2)c1ccc2ccccc2c1 1875386616 VQWXWTLEJULZGQ-SFHVURJKSA-N 411.889 3.533 50 50 HHGA Cc1ccc([C@]2(O)NC(S)=C(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2[n+]2ccccc2)cc1 20587101 QSVFLFXYXNCOOC-AOHZBQACSA-O 418.517 3.860 50 50 HHGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1csc2ccccc12 6825614 HSAGBXBRSKNCKC-UHFFFAOYSA-N 405.526 3.689 50 50 HHGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc([N+](=O)[O-])s1 1189701 VUBZUUSHDFIBJF-OMCISZLKSA-N 418.656 3.601 50 50 HHGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccccc3)ccc2c1Cl 17092031 XWFGHPLJHBJBFA-UHFFFAOYSA-N 419.915 3.973 50 50 HHGA Cc1ccc([C@]2(O)NC(S)=C(C#N)[C@@H](c3ccc(F)cc3)[C@H]2[n+]2ccccc2)cc1 36020228 QSVFLFXYXNCOOC-CQOQZXRMSA-O 418.517 3.860 50 50 HHGA Cc1cc(C(=O)N/N=C/c2ccc(COc3ccc(C#N)cc3)o2)ccc1[N+](=O)[O-] 675961 RRGMLFBWXCJNKM-FSJBWODESA-N 404.382 3.711 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 4081431 NADOEIQHRPUNKC-HYARGMPZSA-N 406.446 3.595 50 50 HHGA COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1 8968969 PWCQXMFJIKNKCC-INIZCTEOSA-N 411.458 3.545 50 50 HHGA C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 5678580 GPWRBNPQCADDLV-UCQKPKSFSA-N 420.473 3.935 50 50 HHGA C[C@@H](Nc1nc2ccccc2s1)C(=O)N/N=C/c1cc(Br)ccc1O 19912319 XLALXHVOKZQBIC-XTTRTJGBSA-N 419.304 3.715 50 50 HHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 2518481 KGVOZOGLOZLZIC-MFKUBSTISA-N 415.449 3.611 50 50 HHGA Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385881 DOSLQJOTTZLBOE-BFUOFWGJSA-N 413.905 3.761 50 50 HHGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccc(Br)cc1 17090862 JNJYLMRFBNFPQP-UHFFFAOYSA-N 416.703 3.802 50 50 HHGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1CN1CCSCC1 32575717 UOFOTSZMKVTLOE-ZHZULCJRSA-N 414.552 3.582 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1cccc2ccccc12 22343055 KJOPJSFWQZPWQM-ZVHZXABRSA-N 400.438 3.569 50 50 HHGA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1 1194649 QRWHVJDJSNHTKX-UHFFFAOYSA-N 419.934 3.972 50 50 HHGA CCO[C@H](CCl)/[S@](=N/S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4566373 ZSZJCORZFYGDTR-LMKMVOKYSA-N 416.908 3.746 50 50 HHGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1022753 DRKZUBVMIILSQC-GOSISDBHSA-N 422.286 3.544 50 50 HHGA COc1ccc(-c2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)o2)cc1Cl 1226709 DYWCHJYHKHJTKH-JGHSGIRGSA-N 412.829 3.899 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@@]12C(=O)Nc1ccccc12 2340155 RIVYQOGNERCRDS-ZLOXQWCVSA-N 417.852 3.655 50 50 HHGA O=C(CCCSc1nc2ccccc2s1)NNc1nc(-c2ccncc2)no1 1875254230 RWBBAZNNTOMLGK-UHFFFAOYSA-N 412.500 3.757 50 50 HHGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520388 DVJYAVJOGKPFKM-UKQHYDMASA-N 412.449 3.693 50 50 HHGA NNC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc12 23115079 WZDYGLIITOPQNR-ORCRQEGFSA-N 413.231 3.679 50 50 HHGA COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2OC)cc1 4167741 GHLWHKWTOHBBEA-OAQYLSRUSA-N 418.453 3.533 50 50 HHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 2553401 DPBHZNPUMXKALW-YSURURNPSA-N 416.264 3.732 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(Cl)cc1 2529604 KMILTHBPVCCLMF-BRJLIKDPSA-N 424.844 3.512 50 50 HHGA COc1cccc(C2=Nc3cc(Cl)ccc3[C@@H](c3ccccc3)N2CC(=O)NN)c1 225512562 NLPIRVRRDZCFPM-JOCHJYFZSA-N 420.900 3.822 50 50 HHGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1 8845702 HNWOJJLLTFKKLJ-NRFANRHFSA-N 402.454 3.914 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1OC 2584730 IOIOYJCXZHFITD-AFUMVMLFSA-N 422.412 3.826 50 50 HHGA C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 17083151 WQUILNUNQHIBQB-YYHBXHNPSA-N 405.429 3.652 50 50 HHGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)O)csc2C1 238997221 ABFBPAAUWNZRBG-VHDGCEQUSA-N 406.548 3.551 50 50 HHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])[nH]n1 945736 ZBXDSPKIECDBSQ-YDZHTSKRSA-N 415.409 3.911 50 50 HHGA COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1OC 12336299 PORWWRQKDWMLQF-RBUKOAKNSA-N 403.862 3.698 50 50 HHGA in-vitro N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1nccs1 17081808 GYVVDTJNQAEDMS-YRNVUSSQSA-N 400.261 3.841 50 50 HHGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1 220952284 UKBJBKIFCLLIAK-OAQYLSRUSA-N 414.465 3.600 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1120702 ZERJLLHWFLIRFT-IBGZPJMESA-N 406.829 3.781 50 50 HHGA Cc1ccccc1CC(=O)NNC(=O)c1cnc(N[C@@H](C)c2cccnc2)c(Cl)c1 1875262306 RPOMBYOSCFPXPF-HNNXBMFYSA-N 423.904 3.615 50 50 HHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 4209592 SEIRVTDFCAXNAL-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)C(C#N)=C(N)O1 1228350 DZGLYXHYVVXYKX-MRXNPFEDSA-N 421.291 3.883 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cnc3ccccc32)c(C)s1 12372409 CNNJBBYZLNJBSO-FQEVSTJZSA-N 420.494 3.709 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4C(F)(F)F)[C@@H]3[C@H]1CC2 100963418 SYKMGGBOPDTRLO-WSFKTYETSA-N 409.415 3.592 50 50 HHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 35126450 RSSXDRFOLCEQQP-MJGOQNOKSA-N 411.431 3.839 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 691097 LQCGFOPEWGYUNV-KRWDZBQOSA-N 404.436 3.918 50 50 HHGA CCOc1c(OC)cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 970291 YJJDQZIWEPHQRU-MRXNPFEDSA-N 424.482 3.772 50 50 HHGA CCOc1ccc2nc(NC(=O)CCC(=O)OC(CCl)CCl)sc2c1 2752609 JSTWUEQKINOVOZ-UHFFFAOYSA-N 405.303 3.803 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2OC)cc1 4282438 OHPWJYHNJVHLJM-AFUMVMLFSA-N 422.412 3.826 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OC)cc1 4282945 XZAVBCPMWPTSFS-PCLIKHOPSA-N 418.449 3.616 50 50 HHGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cnccn1 4327371 RQWRCRGHDJNKSH-YSURURNPSA-N 415.236 3.767 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1OC 1113259 URTPTXQVKMNHGZ-OAQYLSRUSA-N 406.438 3.529 50 50 HHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 2553694 SBSXOTNJUGMYOO-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 5577610 KWDQVSJPTFKRAX-MRXNPFEDSA-N 406.829 3.735 50 50 HHGA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1ccc(Cl)cc1 17082281 PEPRMYNKSNGDQN-JTQLQIEISA-N 401.772 3.979 50 50 HHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 35126452 RSSXDRFOLCEQQP-HKUYNNGSSA-N 411.431 3.839 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@H](c2ccccc2)CC(=O)C3)c(OC)c1 22590950 MNMKBUPRJQGFTD-AVRDEDQJSA-N 402.450 3.912 50 50 HHGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c(F)c1 1875383459 VPZSBMROPAUJLL-CHWSQXEVSA-N 415.317 3.816 50 50 HHGA COc1ccccc1[C@@H](CNC(=O)[C@]1(C)CCCc2ccccc21)NC(=O)CCl 1875386449 QRGAFUOXJTZXNL-AUSIDOKSSA-N 414.933 3.502 50 50 HHGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CCC2 814343 AXPNXTHROQJOTO-VWLOTQADSA-N 415.493 3.760 50 50 HHGA COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)cc1 9329721 GUHXODTZMAPTHI-SFHVURJKSA-N 407.495 3.714 50 50 HHGA CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1 971696 AWLYBKGRHIELFH-UHFFFAOYSA-N 405.292 3.587 50 50 HHGA CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CBr 35635760 PHEVHIWIKJRWDB-UHFFFAOYSA-N 416.316 3.697 50 50 HHGA in-vitro CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1cccnc1 4181149 XNGMUZCVRITRBZ-HXUWFJFHSA-N 415.453 3.931 50 50 HHGA C/C(=N/NC(=O)c1ccccc1Br)c1cccc(NC(=O)C2CC2)c1 12342915 RNUMFNJSVKAMFF-UUYOSTAYSA-N 400.276 3.952 50 50 HHGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1 4231786 CXIJLMNTAIKCDK-OEAKJJBVSA-N 411.458 3.699 50 50 HHGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)c1OC 4997630 FRUAQJQWGIYSRJ-INIZCTEOSA-N 408.845 3.965 50 50 HHGA COc1cccc(C2=Nc3cc(Cl)ccc3[C@H](c3ccccc3)N2CC(=O)NN)c1 225512528 NLPIRVRRDZCFPM-QFIPXVFZSA-N 420.900 3.822 50 50 HHGA Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@H]3c3ccccc3)o2)cc1Cl 13602558 YGJVACXHSXLFJY-KABMNOTOSA-N 421.884 3.888 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC 718009 QPPJZWUVPWWOGI-MPBGBICISA-N 422.437 3.514 50 50 HHGA CC(C)c1ccc(OCC(=O)NNC(=S)Nc2ccccc2)c(Br)c1 2861681 UMIAHEJKRDUUKY-UHFFFAOYSA-N 422.348 3.969 50 50 HHGA CCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)OC(CCl)CCl)cc1 245245153 AOFIFAFZYGLVDH-RPLLJCPNSA-N 412.313 3.852 50 50 HHGA C/C(=N\NC(=O)c1c(Cl)cnn1C)c1cccc(NC(=O)c2ccc(C)cc2)c1 689208 RHTCSFVBYXZZMS-AFUMVMLFSA-N 409.877 3.788 50 50 HHGA O=C(N/N=C/c1ccc(O)cc1O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1198794 DAMODLSVVBZOES-FSJBWODESA-N 416.393 3.918 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC 718008 QPPJZWUVPWWOGI-ODXCJYRJSA-N 422.437 3.514 50 50 HHGA C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2842236 BQRXFOWDNCWPIH-SFHVURJKSA-N 412.873 3.811 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2ccccc2)nnc1-c1ccc(OC)cc1 5667949 YRUBBXJBUKLMDR-PXLXIMEGSA-N 409.515 3.606 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1OC 731338 GXBDXCRTFGGUQI-MFKUBSTISA-N 418.449 3.995 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OCc1ccc(F)cc1 17088434 NHBCBNGAEZHQIQ-WYMPLXKRSA-N 410.401 3.588 50 50 HHGA CCCOC(O)=C1C=CC(=N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158094 OYDLRGUTIIAMAU-UUQNWGMKSA-N 400.456 3.597 50 50 HHGA CC[C@H](Br)C(=O)Nc1cccc(NC(=O)[C@@H](Br)CC)c1 3122799 KRKGLRPMUPVJEA-RYUDHWBXSA-N 406.118 3.911 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2)cc1 4282636 ZPEHLHJKSTVRLC-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 2338169 WNYZGYCNXROZMX-LPYMAVHISA-N 409.515 3.524 50 50 HHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 4229861 XMAHSKAOMXPEJM-ZMOGYAJESA-N 402.406 3.707 50 50 HHGA C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCC2)cc1 5516814 HIYWCIMSGCMKPO-NHDPSOOVSA-N 404.264 3.935 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccc(F)cc1 1212792 QPMBAKKXNBQVKS-AFUMVMLFSA-N 407.401 3.603 50 50 HHGA C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(Br)ccc1O 1499737 WILMXUAKQKGGCC-XPAGJJBOSA-N 419.304 3.662 50 50 HHGA in-vitro Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c1 4354569 JROFMXIJURBERZ-MFKUBSTISA-N 415.449 3.611 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)CSc1nc2ccccc2s1 252680182 XBKGTMKQFPMEOK-UHFFFAOYSA-N 423.523 3.738 50 50 HHGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc3c(s2)CCCC3)cc1OC 13321872 NIPGWKNCRWVNMM-FSJBWODESA-N 410.499 3.798 50 50 HHGA O=C(CCl)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl 25757667 ZTPIPSNXVDKTRT-SECBINFHSA-N 409.553 3.678 50 50 HHGA CC(C)(C)C(=O)NCc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799748856 BRBIQTDOOSABKG-UHFFFAOYSA-N 418.419 3.996 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1 35896893 DYYIMXLMFRRODY-MOPGFXCFSA-N 422.330 3.584 50 50 HHGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 2390865 IJKFNXHMKYYTFI-PCLIKHOPSA-N 406.486 3.836 50 50 HHGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)O)cc3)cc2)cc1 4360590 ASEFUQWTMVXFEA-AFUMVMLFSA-N 418.449 3.801 50 50 HHGA Cc1ccc(Cl)cc1NC(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 17082282 FLYPMOUYCLIVKO-UHFFFAOYSA-N 401.772 3.899 50 50 HHGA CCC(C(=O)N/N=C/c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 39959601 VKRZDUDYKVPSAJ-LCHFAGMQSA-N 405.285 3.620 50 50 HHGA CCCCSC1=C(C#N)[C@H](c2ccccc2OCC)[C@@H](C(=O)OCC)C(=O)N1 9013663 SVZUZLYWASNZSB-ZWKOTPCHSA-N 402.516 3.746 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nnc1-c1ccccc1 863926 TZFWVVXSRWSKHP-SSDVNMTOSA-N 417.897 4.000 50 50 HHGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Br)s2)c(C)c1 2968655 NRMWOUUXLPWGEX-VXLYETTFSA-N 408.321 3.996 50 50 HHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(COCC(F)(F)C(F)F)c1 1009086 DIZTVEUHEYWDAY-NUGSKGIGSA-N 413.327 3.776 50 50 HHGA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 239025606 BWQWNKSGRBXXRM-VMDGZTHMSA-N 408.410 3.740 50 50 HHGA CN(c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 1136335 IDKMUIYYCSGJSM-UHFFFAOYSA-N 412.423 3.639 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 2770094 ABISNGCKQLYCCQ-LJQANCHMSA-N 407.382 3.582 50 50 HHGA COc1ccc(OC)c(NC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 2858393 GJNSFXZCXLYBQS-UHFFFAOYSA-N 405.454 3.689 50 50 HHGA COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 100195063 GBVBBQXVTPXLFS-ACAGNQJTSA-N 403.398 3.621 50 50 HHGA C[C@@H]1CCC[C@@H](C(C)(C)O)[C@H]2CCO[Si](c3ccccc3)(c3ccccc3)O[C@H]12 169833517 NBZMUASANRNDIA-OTUUDDROSA-N 410.630 3.872 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2OC)cc1 4258876 ZHXXAWFXMMMKFR-AFUMVMLFSA-N 422.412 3.826 50 50 HHGA CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 22338994 NSYPGKNPUVMTLW-KEBDBYFISA-N 421.316 3.758 50 50 HHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@@H]2C1 803660 INZCGGHHJQUASV-OFNKIYASSA-N 409.493 3.594 50 50 HHGA Cc1ccc2c3c1[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 809858 OMOPLUHUKHTSKG-OZAJXLCCSA-N 401.466 3.705 50 50 HHGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1cc(Br)ccc1O 1195237 JEPSUZQSLLXFDX-KEBDBYFISA-N 416.300 3.945 50 50 HHGA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NNc3cnc4ccccc4n3)c12 765989650 WYRPWEBHOHMKDD-UHFFFAOYSA-N 409.453 3.644 50 50 HHGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 4210319 BKZCFFIJBJDOMU-ARKUFVOESA-N 414.417 3.798 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1 4327429 QPPHRTAIALPELX-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 2532094 GODMYLNTZDCCLU-JFLMPSFJSA-N 415.493 3.763 50 50 HHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2F)[C@@H]2CSCC=C12 39325000 BIVBZUJFVHJGQZ-ZBFHGGJFSA-N 415.291 3.745 50 50 HHGA C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1cc(Br)ccc1O 5314090 WILMXUAKQKGGCC-XTTRTJGBSA-N 419.304 3.662 50 50 HHGA in-vitro COc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1OC 5353258 KBJRIBXWIMTZJQ-LSHDLFTRSA-N 402.813 3.650 50 50 HHGA O=C(N/N=C\c1cc(Br)cs1)[C@H]1COc2cc3ccccc3cc2O1 22065064 QLSOBSCREFZJJT-BZGLTBHUSA-N 417.284 3.954 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(C)cc1 5409099 IKSZGXNEYHTZFT-OAQYLSRUSA-N 402.454 3.832 50 50 HHGA C[C@H]1Cc2ccccc2N1C(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 9329767 PTUFGLBRNNRXGD-YOEHRIQHSA-N 421.497 3.875 50 50 HHGA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 100895394 BWQWNKSGRBXXRM-UPRAQXHNSA-N 408.410 3.740 50 50 HHGA O=C(Nc1cc(Cl)ccc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239415369 UGFFVTCPSSJBQX-AJCKKNKHSA-N 405.075 3.503 50 50 HHGA O=C(CCl)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3130830 KGDJIOKTGFLFIU-SECBINFHSA-N 409.553 3.678 50 50 HHGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1 4260898 HRZVIULVLWGEGR-CVKSISIWSA-N 418.453 3.639 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1 1472121 DKDOTCGOTYAFGM-JOCHJYFZSA-N 413.477 3.626 50 50 HHGA biogenic Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)o1 1798403 FWSFXUBTCVXLEL-GIJQJNRQSA-N 404.542 3.974 50 50 HHGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C(F)(F)F)[nH]n2)cc1OC 5352217 LLHKDOMGJDQSTP-BHGWPJFGSA-N 418.375 3.877 50 50 HHGA CCNC(=S)NNC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12 2112665 JIRVHRRAVMLZLG-UHFFFAOYSA-N 408.527 3.818 50 50 HHGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 1063495 QJZLVWJIPPQXFM-UHFFFAOYSA-N 415.493 3.874 50 50 HHGA aggregator CCn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 1477337 VWXNYYAOKZGNJD-KEBDBYFISA-N 417.878 3.860 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)ccc1O 6740125 KESVORCLFBDYIG-ZMOGYAJESA-N 416.437 3.717 50 50 HHGA CC(=O)OC[C@H](Cl)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257358374 TVFCEEIAIYQYHI-ZYOWZNIRSA-N 404.934 3.972 50 50 HHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2533900 VVYGLICZKFWBGW-PCLIKHOPSA-N 401.466 3.917 50 50 HHGA CC(=O)c1ccc(NC(=S)NNC(=O)CCSCc2cccc(F)c2)cc1 17083203 WOLLIXNKGRGYKP-UHFFFAOYSA-N 405.520 3.669 50 50 HHGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cc2ccccc2nc1Cl 25504609 ZJYJWPYGINQUTO-LGJNPRDNSA-N 416.868 3.922 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc(OC)c1OC 868002 VTBSATGFVPYIMJ-AWQFTUOYSA-N 420.878 3.581 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1c(F)cccc1Cl 1097781 GVOZVGNRSBXGCI-CQSZACIVSA-N 411.780 3.996 50 50 HHGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)n1 730070 XRHSRIUABVCBGS-YDZHTSKRSA-N 406.511 3.915 50 50 HHGA C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Br)cc2)c1O 1202503 HAILXWQERMEQFK-LNOXHEFASA-N 402.292 3.834 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)CCC2CCCCC2)sc2c1CCC2 6735061 DVOCPUCWGJWGHH-UHFFFAOYSA-N 409.577 3.702 50 50 HHGA CCCCSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@H](C(=O)OCC)C(=O)N1 9013662 SVZUZLYWASNZSB-MSOLQXFVSA-N 402.516 3.746 50 50 HHGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 2848283 ZGHDPNVBUBZZKD-GFCCVEGCSA-N 404.904 3.507 50 50 HHGA O=C(CCl)NCCc1ccc(CNC(=O)c2ccc(F)c3ccsc23)cc1 1875386678 WPFWQILEMQOPSO-UHFFFAOYSA-N 404.894 3.868 50 50 HHGA CC(C)(C)c1ccc(O)c(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1 1187180 XRQJNCCZSAMXSL-UFFVCSGVSA-N 405.838 3.780 50 50 HHGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210612 UWOGFFOYMLWOLB-RDVKDWBRSA-N 400.434 3.835 50 50 HHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2553403 ZOROUFWNWCDTKH-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 5402723 IBEMVWOTUBOHRM-BUVRLJJBSA-N 421.501 3.704 50 50 HHGA COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OCc1ccccc1 2506235 LYCGQCZGWILSPH-ZVHZXABRSA-N 406.486 3.697 50 50 HHGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)c1OC 4997631 FRUAQJQWGIYSRJ-MRXNPFEDSA-N 408.845 3.965 50 50 HHGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 27551848 JSRQZLGVKUULSM-GAJHUEQPSA-N 414.509 3.666 50 50 HHGA CCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(OC)cc2)c(O)c2ccccc21 299738359 ZYHCVWBCIDKLJH-BUVRLJJBSA-N 407.470 3.670 50 50 HHGA O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1192215 KAVRCORKNBZDJN-WYMPLXKRSA-N 412.902 3.951 50 50 HHGA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239229080 UQSQLEDRQPHCSK-BOKPKCGUSA-N 405.075 3.503 50 50 HHGA O=C(CSc1cccc2cccnc12)NN=Cc1cc(Br)ccc1O 252603632 FSQQKZLVJQXRJS-UHFFFAOYSA-N 416.300 3.945 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(Br)ccc1F 714322 NCSZREZGYLDNFY-HNNXBMFYSA-N 413.202 3.913 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 4283031 BUBNLSRRGBDUFG-OEAKJJBVSA-N 419.393 3.587 50 50 HHGA CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccn3)o2)cc1 17082163 RCMGVZNBQFOCLB-QGOAFFKASA-N 401.422 3.742 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1Br 1231679 JTGXEQQMHRHOAP-INIZCTEOSA-N 424.254 3.517 50 50 HHGA COc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 2541783 JSRQZLGVKUULSM-UZUQRXQVSA-N 414.509 3.666 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 5295358 PJFPNNRWNHJQMU-AWQFTUOYSA-N 419.666 3.962 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)cc(O)c1O 1875264398 JAFNSWFPRGEYHA-WYMPLXKRSA-N 410.401 3.588 50 50 HHGA CCOc1ccccc1-c1nc(C(=O)NCCSSCCC(=O)O)cs1 1875388877 UFNHOODGYDRISC-UHFFFAOYSA-N 412.558 3.795 50 50 HHGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1 12420863 IWGAZXJEMODWPC-LJQANCHMSA-N 422.466 3.970 50 50 HHGA F[C@@H](Br)c1nc([C@H](F)Br)nc([C@H](F)Br)n1 100043388 GRLJJIHVVOZKLC-XZIMBLGRSA-N 413.817 3.961 50 50 HHGA CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 2359133 DZTQFMURMQKWQF-OEAKJJBVSA-N 423.542 3.778 50 50 HHGA O=C(O)CCSSCCNC(=O)c1ccccc1OCCOc1ccccc1 1875388993 XTFJGIMQHAREOD-UHFFFAOYSA-N 421.540 3.730 50 50 HHGA CCOc1cc(C(=O)NNC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC 2885394 SSFXAXLSAZBEOC-UHFFFAOYSA-N 401.463 3.658 50 50 HHGA CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1F 1185294 ZANJOTKCEGLYKE-ZVBGSRNCSA-N 410.243 3.568 50 50 HHGA COc1cccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c1 2794108 DKUNVDBHHIHFDQ-UHFFFAOYSA-N 417.384 3.563 50 50 HHGA O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2cc(Cl)ccc2o1 16051764 ZLQBZYKAQQWOTK-UHFFFAOYSA-N 418.780 3.728 50 50 HHGA in-vivo CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NN)cc1 1211693 ZWNFAYWQQLPMNM-SFQUDFHCSA-N 416.319 3.507 50 50 HHGA C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502510 UFYIRBCTNGILLB-LJQANCHMSA-N 412.829 3.860 50 50 HHGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 4261227 SKBWZMMHEKGPIS-WGOQTCKBSA-N 403.482 3.899 50 50 HHGA C=CCOc1cccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)c1 32593027 QWFVZHJZYQPCGD-NHDPSOOVSA-N 413.275 3.734 50 50 HHGA Cc1ccccc1CC(=O)NNC(=O)c1cnc(N[C@H](C)c2cccnc2)c(Cl)c1 1875262307 RPOMBYOSCFPXPF-OAHLLOKOSA-N 423.904 3.615 50 50 HHGA COc1ccccc1[C@H](CNC(=O)[C@@]1(C)CCCc2ccccc21)NC(=O)CCl 1875386450 QRGAFUOXJTZXNL-CVDCTZTESA-N 414.933 3.502 50 50 HHGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 19834220 LZOBLXPOSLTMBO-LFVJCYFKSA-N 419.356 3.651 50 50 HHGA COc1cc(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)cc(OC)c1OC 1202159 UNYWFUGRTWNNPI-BGHCKBSUSA-N 407.470 3.816 50 50 HHGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2CC)cc1OCC 2795304 AFPNHAQQTXPYJZ-UHFFFAOYSA-N 401.532 3.607 50 50 HHGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1cccnc1 1430909 UHXHFXXKKJELQM-OAHLLOKOSA-N 422.901 3.618 50 50 HHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2F)[C@H]2CSCC=C12 39325002 BIVBZUJFVHJGQZ-GOEBONIOSA-N 415.291 3.745 50 50 HHGA CC[C@@H](Br)C(=O)Nc1ccccc1NC(=O)[C@H](Br)CC 3122806 CGTDBHSWOVDJFX-NXEZZACHSA-N 406.118 3.911 50 50 HHGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)csc2C1 17087451 ABFBPAAUWNZRBG-SNPRPXQTSA-N 406.548 3.551 50 50 HHGA CC(C)N(NC(=O)COc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 3179325 XXMIISYCBTXNBL-UHFFFAOYSA-N 411.285 3.719 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 5194342 CYQWBQFJZADXBR-SFHVURJKSA-N 407.817 3.961 50 50 HHGA Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 18122474 ZFQUDLRFYKKHKP-IBGZPJMESA-N 421.388 3.563 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 2333104 LJZZQZDNHSHMTQ-HKUYNNGSSA-N 411.431 3.841 50 50 HHGA C/C(=N/NC(=O)c1cc2c(s1)CCCCC2)c1cccc(NS(C)(=O)=O)c1 17083235 BMZOVBSONLWESZ-MOSHPQCFSA-N 405.545 3.543 50 50 HHGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4230203 WTKNYZQHIOTURF-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239229079 UQSQLEDRQPHCSK-BOCQSXMYSA-N 405.075 3.503 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)[nH]n2)cc1 4746374 RZGMHJMQOQINJD-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 820575 AGUFGSWFEMCCNP-GIJQJNRQSA-N 412.081 3.610 50 50 HHGA COc1cc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)ccc1OCc1ccccc1 1002223 HLRQPANLOKQKKY-FSJBWODESA-N 412.877 3.733 50 50 HHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2543986 ZGHBHRRBNQWAIP-FOKLQQMPSA-N 408.285 3.662 50 50 HHGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 4978929 LDBYMSVMYBKJLX-MRXNPFEDSA-N 406.467 3.760 50 50 HHGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Cl)ccc1O 5019353 AMIYVNMTFKLRFF-WYMPLXKRSA-N 405.841 3.664 50 50 HHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)s2)n[nH]1 868144 DOPPMQXHORYQJF-CAOOACKPSA-N 420.248 3.573 50 50 HHGA C=C(C)C(=O)OC[C@H](O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 196246928 NBOCBWJUDBATAS-MRXNPFEDSA-N 422.743 3.648 50 50 HHGA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 229959402 HHQFFIOFZPGAOG-UWFRCRDLSA-N 413.470 3.869 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2OC)cc1 2521965 OILAOQZCUKMPQR-BUVRLJJBSA-N 410.470 3.953 50 50 HHGA COc1ccc(Cl)cc1NC(=S)NNC(=O)c1cc(C)nc2ccccc12 2853668 ZDXUBQSDKXKIEB-UHFFFAOYSA-N 400.891 3.837 50 50 HHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4230244 BQDYYPVEDMHZSD-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA O=S(=O)(c1ccccc1)N1[C@H]2CC[C@H](Br)[C@@H](Br)CC[C@H]21 100058145 ZPKURHGOOPWXJW-BIIJERNFSA-N 423.170 3.529 50 50 HHGA Cc1ccc2snc(C(=O)N(CCNC(=O)CCl)Cc3ccccc3)c2c1 1875383700 CTJUTTXEHADCTI-UHFFFAOYSA-N 401.919 3.602 50 50 HHGA Cc1ccc2c3c1[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 809857 OMOPLUHUKHTSKG-RKNYENMMSA-N 401.466 3.705 50 50 HHGA CN(C)NC(=O)Nc1cccc(NC(=O)CSc2cccc(Br)c2)c1 408515008 DUNCCKCUWJIUOD-UHFFFAOYSA-N 423.336 3.778 50 50 HHGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1C 2857347 RHAWLBQFVAAHOR-UHFFFAOYSA-N 422.407 3.894 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 4259700 DDNAVUUZDVCAPN-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 5194358 CYQWBQFJZADXBR-GOSISDBHSA-N 407.817 3.961 50 50 HHGA COc1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353104 XLCNCXCRCBALHD-ZVHZXABRSA-N 414.469 3.652 50 50 HHGA N#CC1=C(N)N(Nc2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 25762257 JLMIZVXCNIXGQU-FQEVSTJZSA-N 401.426 3.722 50 50 HHGA O=C(CCl)NC[C@@H](NC(=O)c1noc2c1CCCC2)c1ccc2ccccc2c1 1875386615 VQWXWTLEJULZGQ-GOSISDBHSA-N 411.889 3.533 50 50 HHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@H]2C1 4452889 INZCGGHHJQUASV-NZQKXSOJSA-N 409.493 3.594 50 50 HHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccn1 730026 VWSFQGZVCJAUQA-ZVHZXABRSA-N 401.495 3.722 50 50 HHGA Cc1ccc(CC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 220981691 FQTSIIYYCZCGTF-LFVJCYFKSA-N 422.506 3.764 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)c(Cl)c4)[C@@H]3[C@H]1CC2 149110698 CRZZFQSJDRYLJT-GBRSUSRYSA-N 410.308 3.880 50 50 HHGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Br)cc1 2571838 OWTSKLMFERSBJM-UFWORHAWSA-N 415.074 3.845 50 50 HHGA Cc1n[nH]c2c1[C@H](c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)C(C#N)=C(N)O2 18122473 ZFQUDLRFYKKHKP-LJQANCHMSA-N 421.388 3.563 50 50 HHGA C/C(Cn1nnc2ccccc21)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5671381 XAOKBMQKXZIOOR-OVMKCGGTSA-N 406.273 3.698 50 50 HHGA C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)[C@@H](C)Cl)CC1 1875363608 MICFPUHBSYKAFX-NEPJUHHUSA-N 416.831 3.588 50 50 HHGA O=C(NNC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1)c1cccc(C(F)(F)F)c1 2325722017 FNMAWKRTWBWCQP-UHFFFAOYSA-N 414.796 3.885 50 50 HHGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)C2CCCC2)c1 667563 YTFPNGRCPZNEBV-FSJBWODESA-N 401.898 3.665 50 50 HHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 1427044 IESDJRBRCBJUPU-INIZCTEOSA-N 408.255 3.519 50 50 HHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@H]2C1 4631467 INZCGGHHJQUASV-REWPJTCUSA-N 409.493 3.594 50 50 HHGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)c(OC)c1 2388506 OWQXTRZGQGFNKB-RGVLZGJSSA-N 407.264 3.629 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@@H](c2ccccc2)CC(=O)C3)c(OC)c1 22590934 MNMKBUPRJQGFTD-XMSQKQJNSA-N 402.450 3.912 50 50 HHGA C=CC(=O)N1CCCc2cc(C(=O)NNc3ccc(F)cc3Br)ccc21 1875303009 RDEAOGKHNWFZBN-UHFFFAOYSA-N 418.266 3.810 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC 718011 QPPJZWUVPWWOGI-FKIZINRSSA-N 422.437 3.514 50 50 HHGA O=C(C[n+]1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1)c1ccccc1 2897241 MDPFSEBCTBYJAS-WYMPLXKRSA-O 413.284 3.928 50 50 HHGA N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc(Br)c1 1212121 IOFPNPVFBJEXQS-NYYWCZLTSA-N 416.187 3.632 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1 5353359 PXCCDBXTXAUDSD-ZVHZXABRSA-N 414.469 3.652 50 50 HHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 1230102 JSXQTDYJYJVOTH-UHFFFAOYSA-N 422.266 3.664 50 50 HHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 4230064 XAOYJBKDZJXVLO-CVKSISIWSA-N 419.481 3.604 50 50 HHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(OC)c1OC 5297246 FRKATJZWINCZCJ-SSDVNMTOSA-N 414.849 3.520 50 50 HHGA C[C@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)CCCc2ccccc21 1875383259 MNVYCVVMNMAEGF-KSNOWIBYSA-N 424.972 3.852 50 50 HHGA O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 799959 HIHDKCMOZTXQEB-RHSMWYFYSA-N 413.783 3.954 50 50 HHGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nn(CCO)c(N)c1C#N 4380954 LDJKFJKTLMERMN-UKTHLTGXSA-N 413.359 3.672 50 50 HHGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OC 15219991 CSBBDQQTKZDZCF-GHXNOFRVSA-N 403.232 3.718 50 50 HHGA CCc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 226381772 VSINYAVFVVQOIZ-RNJOBUHISA-N 415.125 3.675 50 50 HHGA COc1cccc(Cn2cc(/C=N/NC(=O)c3cc(O)cc(O)c3)c3ccccc32)c1 13321971 NDYWXMWGSJLDJB-DHRITJCHSA-N 415.449 3.873 50 50 HHGA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 136157178 ZPXGUQWLFREOMR-ZNOIYHFQSA-N 408.410 3.740 50 50 HHGA COc1cc(OC)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 1207923 UOXVFRBXIXEAMI-OVCLIPMQSA-N 401.260 3.690 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521171 CAQWEVDKKQVSJS-DMXJYMIMSA-N 416.433 3.784 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 17252743 VESGXJKUWHNPBW-QGZVFWFLSA-N 403.398 3.602 50 50 HHGA O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 1216024 ZMWUHALWTIWVQM-JYFOCSDGSA-N 412.445 3.780 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccccc1 2347411 AAAJAOMSCYLGSN-FYJGNVAPSA-N 411.556 3.929 50 50 HHGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/C(Br)=C/c1ccccc1 2895625 UKXWHLNYZJNBDV-CJCMLQQZSA-N 404.220 3.512 50 50 HHGA C/C(=N\NC(=O)CCC(=O)O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9137936 QZENZIMBWNNGEB-WYMPLXKRSA-N 411.845 3.554 50 50 HHGA Cn1cc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cn1 999376 CSOQIBIOFIDFJV-SFHVURJKSA-N 413.403 3.744 50 50 HHGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)sc2c1CCCC2 4229737 WLJJWDMBXCRAOG-YSURURNPSA-N 420.416 3.606 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 5095401 RZXLYSIRQGXIIE-GOSISDBHSA-N 406.417 3.841 50 50 HHGA N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 17087514 DIRUYHBLWMMZPB-OVCLIPMQSA-N 406.829 3.682 50 50 HHGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1cccc(Cl)c1)S(=O)(=O)CC2 1429894 ZSAHNGUMVCFGAC-SFHVURJKSA-N 415.877 3.807 50 50 HHGA COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 2968600 WNNNOUBOXKAQJR-GZTJUZNOSA-N 415.287 3.698 50 50 HHGA CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 2867183 NCSOFWXEHSHECG-AWEZNQCLSA-N 404.894 3.767 50 50 HHGA COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1O 1185339 NNNGHUFCDSXOKZ-AZZDOICSSA-N 401.260 3.948 50 50 HHGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 5562699 FANZAWYCXZNMBN-KRWDZBQOSA-N 405.845 3.907 50 50 HHGA COC(=O)c1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1OC 632711 AUCBNYMHAPPGJC-HXUWFJFHSA-N 410.470 3.618 50 50 HHGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 986037 NMKZXTURKCOBGZ-UWJYYQICSA-N 400.434 3.682 50 50 HHGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2568824 NLBVZCKWPFPOCI-LSHDLFTRSA-N 402.237 3.941 50 50 HHGA O=C(NNC(=O)c1cc(Br)ccc1O)Nc1ccccc1C(F)(F)F 2858186 HWAQIOFKLFLFOR-UHFFFAOYSA-N 418.169 3.640 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(C)cc3)c2)cc1 2542422 QCFHJFHBHGUYSH-MFKUBSTISA-N 418.449 3.752 50 50 HHGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(OC)c(OC)c3)c2C)cc1 4981097 JIHHJNUDILBIEC-YDZHTSKRSA-N 408.458 3.565 50 50 HHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2553307 YVMALVDWVWYQRS-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551244 OQFBDUWSJYWMJV-UHFFFAOYSA-N 401.507 3.536 50 50 HHGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC 662918 VFOGTUBNTPTVQI-YSRRJJCPSA-N 406.866 3.592 50 50 HHGA CCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1cccs1 989288 VHVLYUBBNKGLND-QGZVFWFLSA-N 419.572 3.655 50 50 HHGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)c1cccc(Br)c1 1188041 POLKQQZDBZLYHU-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460211 HJNYISHBMIRWNI-YEBMWUKDSA-N 401.466 3.705 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)s4)c32)ccc1O 1070341 ZYFFCVUIOISNSX-CQSZACIVSA-N 400.847 3.724 50 50 HHGA COc1cc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1O 3288255 BPJCHENNUFTFGM-ZVHZXABRSA-N 406.438 3.509 50 50 HHGA O=C(C[C@@H]1OCCc2ccccc21)NNC(=S)Nc1ccccc1C(F)(F)F 225392986 BYZADDOOEPLWDQ-INIZCTEOSA-N 409.433 3.727 50 50 HHGA CCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1cccs1 989287 VHVLYUBBNKGLND-KRWDZBQOSA-N 419.572 3.655 50 50 HHGA N#CC1=C(N)N(c2ccc(C#N)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12428978 NMAHTVLVEGHDTM-LJQANCHMSA-N 417.450 3.833 50 50 HHGA C[C@@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1F 1318711096 WFMIJZTYUYQBNN-CYBMUJFWSA-N 400.381 3.702 50 50 HHGA COc1ccc(/C(C)=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1OC 5031409 UQMQGLNLUATJPU-XYUXXQEKSA-N 406.438 3.537 50 50 HHGA CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)C(C#N)=C(N)O1 729270 SJHBBKFNRJLPAG-MRXNPFEDSA-N 421.291 3.883 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C1CC(C)(C)CC2=O 691099 LQCGFOPEWGYUNV-QGZVFWFLSA-N 404.436 3.918 50 50 HHGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 705824 PQNABDNMWMSTOR-MRXNPFEDSA-N 403.276 3.909 50 50 HHGA O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)[C@@H]1Cc2ccccc2O1 748275503 CJARBSMFNVWDQV-SFHVURJKSA-N 418.415 3.668 50 50 HHGA CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccccc1 2565253 FJSCTFFCEFCUGG-KOEQRZSOSA-N 402.450 3.997 50 50 HHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1205696 YDOKZIMPFMUWLI-WSDLNYQXSA-N 404.499 3.608 50 50 HHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccncc1 1210783 VCPHHJHUFHBYNH-BUVRLJJBSA-N 414.494 3.572 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc(C)c1C 17093680 QUHNQMDKDRMOOZ-UHFFFAOYSA-N 423.585 3.723 50 50 HHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3061764 OEFTWLMIZGVWBA-PCLIKHOPSA-N 417.465 3.753 50 50 HHGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 5353351 ONDOMKRMFUTTEG-ZMOGYAJESA-N 402.433 3.782 50 50 HHGA COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 220954758 YXNWIUCLISUPMD-WOJBJXKFSA-N 406.507 3.709 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1c(F)cccc1Cl 5595902 IMCJJGORBPWLGC-HNNXBMFYSA-N 410.792 3.816 50 50 HHGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1cccc(F)c1 6828860 UXPFFZJFBUVIAU-UHFFFAOYSA-N 401.891 3.869 50 50 HHGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1 889165 JQPPOUZCKOHSBO-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1cc(C(=O)NNC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cs1 6233275 XZSVKULZNDKEBX-UHFFFAOYSA-N 405.936 3.586 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)cc2)nnc1-c1ccccc1 33575159 AGPUXPNBHLNRRR-PXLXIMEGSA-N 409.515 3.606 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2OC)cc1 4230176 OLOOQDHFTZAOFQ-MFKUBSTISA-N 418.449 3.995 50 50 HHGA CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 4993095 CTOYFEIFRRZIQA-SFHVURJKSA-N 417.425 3.992 50 50 HHGA C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)c1O 863966 UKZFBNZYUWRQFJ-OEAKJJBVSA-N 421.526 3.642 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccccc4C(F)(F)F)[C@@H]3[C@H]1CC2 252428190 SYKMGGBOPDTRLO-GBRSUSRYSA-N 409.415 3.592 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 657769 LQTMZNIQFODQNU-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccccc1 2529676 JZVFIJGXNGJDCV-PCLIKHOPSA-N 418.449 3.834 50 50 HHGA Cc1cc(C(=O)N/N=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)ccc1[N+](=O)[O-] 2102111 FXULTRIQXIHHPA-SRZZPIQSSA-N 424.369 3.747 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 4614114 BVHNLECSNVLEEY-SFHVURJKSA-N 407.817 3.961 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)nc2ccccc21 946008 OVXZTDAJWBEPDI-OEAKJJBVSA-N 412.515 3.706 50 50 HHGA CN(Cc1ccc(C(=O)NCCSSCCC(=O)O)cc1)c1ccccc1 1875388911 VIAIWVULSZHHLO-UHFFFAOYSA-N 404.557 3.909 50 50 HHGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccs1 32606135 KNASZCDWNLFCMV-CFRMEGHHSA-N 423.494 3.847 50 50 HHGA CCOC(=O)COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc12 4831658 GGNVITLQOLYYTL-UHFFFAOYSA-N 411.366 3.615 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1Br 1231693 LWEJQIGZXUGCHH-GOSISDBHSA-N 400.276 3.742 50 50 HHGA F[C@@H](Br)c1nc([C@@H](F)Br)nc([C@@H](F)Br)n1 100043379 GRLJJIHVVOZKLC-ADNNCPOWSA-N 413.817 3.961 50 50 HHGA CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CC2)c(OC)c1 7160073 JBSFPDRKQSIURW-SFQUDFHCSA-N 406.438 3.955 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)c1 9046829 KJHZGDMQBBBTNN-GIJQJNRQSA-N 405.277 3.673 50 50 HHGA CCc1cc(C(=O)NNC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cs1 17092057 KQWAEMYCKLUGHQ-UHFFFAOYSA-N 419.963 3.840 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(Br)cs1 705845 SSEQNLZUSBYXCD-ZDUSSCGKSA-N 401.241 3.835 50 50 HHGA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2sccc2C)cc1 1879557 MGXIWSRXKAFNPA-WRHQLWEMSA-N 419.506 3.986 50 50 HHGA CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@H]2c1ccc(Cl)cc1 4730814 WWAKGOKYUDLVCC-QGZVFWFLSA-N 401.919 3.624 50 50 HHGA CC/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(OC)cc1 17091299 NDPJFGVBMPIMJV-CRRKTRLDSA-N 418.129 3.822 50 50 HHGA CCCOC(O)=C1C=CC(=N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158093 OYDLRGUTIIAMAU-DSKVAPSBSA-N 400.456 3.597 50 50 HHGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)c(Cl)nc2c1 4210298 IEJJRGQZUSJPFE-YSURURNPSA-N 415.280 3.730 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4C(F)(F)F)[C@H]3[C@H]1CC2 101141580 SYKMGGBOPDTRLO-HDBZGKQISA-N 409.415 3.592 50 50 HHGA C=CCc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Br)cc2)c1O 1202501 HAILXWQERMEQFK-XMOVILSBSA-N 402.292 3.834 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 2770095 ABISNGCKQLYCCQ-IBGZPJMESA-N 407.382 3.582 50 50 HHGA COc1ccc(-c2nn(Cc3cccc(Cl)c3)cc2/C=C(\C#N)C(N)=O)cc1OC 17093303 VVNXJOHCWZCBDW-CXUHLZMHSA-N 422.872 3.661 50 50 HHGA C/C(=N\NC(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2cnnn2)cc1 25763906 UIMOELZZHZEDOK-ZVBGSRNCSA-N 409.664 3.777 50 50 HHGA O=C(CCl)NCC1(c2ccccc2)CCN(C(=O)[C@@]2(C3CCC3)CC2(F)F)CC1 1875385757 AYTKNOQMIQUKHR-NRFANRHFSA-N 424.919 3.727 50 50 HHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 1230103 LDWJFJLGBXGDNS-UHFFFAOYSA-N 422.266 3.664 50 50 HHGA Cc1ccc(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)c(C)c1 3130819 UXFHMABXUVQFLC-NSHDSACASA-N 403.162 3.641 50 50 HHGA Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)c1 3130822 ZQNAMDODJIZTAO-LLVKDONJSA-N 403.162 3.641 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1ccccn1 4083106 ACKFVLRYTHEWLT-LJQANCHMSA-N 405.483 3.632 50 50 HHGA COC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 841832 ZLDUTFBPQARUSQ-SFHVURJKSA-N 408.479 3.510 50 50 HHGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 2885388 IEFFZJLZSRLDRX-QGZVFWFLSA-N 423.513 3.742 50 50 HHGA COc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 17082832 MOPZOALNAGFNGJ-GDNBJRDFSA-N 404.426 3.648 50 50 HHGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1 4210287 VGJJJFPBJPRRIT-AFUMVMLFSA-N 421.428 3.502 50 50 HHGA N#Cc1ccccc1Sc1ccc(NC(=O)NNc2nc3ccccn3n2)cc1 1310745514 BYTJBPUBRVJXLZ-UHFFFAOYSA-N 401.455 3.901 50 50 HHGA COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1OCc1ccccc1 972551 MCQFPRCHCZUSPF-VULFUBBASA-N 414.465 3.774 50 50 HHGA COc1cccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c1 6398646 JCWULWDRJJEERA-UHFFFAOYSA-N 413.927 3.739 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1Cl 868421 GQJIHHFGCNRSJK-ZMOGYAJESA-N 409.829 3.727 50 50 HHGA Cc1ccc(-c2ccc(/C=N\NC(=O)[C@@H]3C(=O)NC[C@@H]3c3ccccc3)o2)cc1Cl 13154691 YGJVACXHSXLFJY-OIJFTSTOSA-N 421.884 3.888 50 50 HHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccccc1Br 4527914 OUWPWIQOJQLCPF-CYGNYLSHSA-N 418.291 3.737 50 50 HHGA O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccccc1F 6829339 KHLBUSCWMCDNDU-UHFFFAOYSA-N 401.891 3.869 50 50 HHGA O=C/C(=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2o1 16545246 ORXYDHQMEDMYHV-JQIJEIRASA-N 411.483 3.654 50 50 HHGA CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)O)[C@H]2Br 169795880 KLQXPQPDNRXJMU-AGEOJFDCSA-N 404.924 3.757 50 50 HHGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)c1 1800493 AXZSRTOOGZUZBY-UHFFFAOYSA-N 404.894 3.685 50 50 HHGA C/C(=N\NC(=O)c1cccs1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 5829680 UWWHWIPUMYGDID-YDZHTSKRSA-N 407.451 3.883 50 50 HHGA COc1cc(/C=N/NC(=O)CSc2ccc3ccccc3n2)cc(OC)c1OC 825638 OKKYMJZFJHIJIJ-WSDLNYQXSA-N 411.483 3.503 50 50 HHGA C/C(=N\NC(=O)[C@H](C)Sc1nc(C)cc(C)n1)c1ccc(Br)cc1 1192011 QXVWXVUGKCLRNR-XMOVILSBSA-N 407.337 3.877 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2cccs2)nnc1-c1ccc(OC)cc1 864056 BSPGPGKIIKYOJU-DEDYPNTBSA-N 415.544 3.668 50 50 HHGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)ccc3OC)c21 5574456 PZTCEYOKQWYLAP-IBGZPJMESA-N 418.453 3.711 50 50 HHGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OC 1147857 BCRZIMJRBPUSJG-KRWDZBQOSA-N 417.259 3.780 50 50 HHGA CCOc1ccc(CC(=O)NNC(=S)Nc2cccc(C)c2C)cc1OCC 2795386 DZQTVBNMSBSQRW-UHFFFAOYSA-N 401.532 3.661 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1Cl 1191849 PUWJGPINQCNNTB-CNHKJKLMSA-N 400.591 3.914 50 50 HHGA COC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 16319682 PEVXRVLJKYZRKF-ZSOIEALJSA-N 417.215 3.973 50 50 HHGA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(N)=O)N1 19791498 QQVFOHLJCYEOCP-QGZVFWFLSA-N 419.934 3.596 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2ccccc2C)nnc1-c1ccc(OC)cc1 2348828 CPWHJTCWKGSXQD-LPYMAVHISA-N 409.515 3.524 50 50 HHGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccccc1 6380905 CFXSQRGARWNRLP-OAQYLSRUSA-N 402.454 3.914 50 50 HHGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)OC 15012370 LTLKLRGTTKQUOO-GDNBJRDFSA-N 414.845 3.836 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 2543208 ZHVBCAAKAIKPQK-BUVRLJJBSA-N 404.422 3.774 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1O 5354203 KLCDGIJIXNVNHE-ZVBGSRNCSA-N 405.241 3.862 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 658106 FYQVXLFHLSDRJO-OEAKJJBVSA-N 419.393 3.587 50 50 HHGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OC)c1OC 662921 VFOGTUBNTPTVQI-XIJPWPHISA-N 406.866 3.592 50 50 HHGA CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 2835421 UINIAOMAPXCAKW-KRWDZBQOSA-N 421.522 3.968 50 50 HHGA CC[C@H](Br)C(=O)Nc1ccc(NC(=O)[C@H](Br)CC)cc1 3122793 GPLMAMYULDULGH-TXEJJXNPSA-N 406.118 3.911 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1ccc(OC)cc1 2326654 JKQHOXBEDWAHHF-LPYMAVHISA-N 409.515 3.524 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 2518551 ODRKCJJSJYZGSU-MFKUBSTISA-N 401.466 3.971 50 50 HHGA CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21 4167883 UBBPLZMDEORPAM-LJQANCHMSA-N 416.437 3.812 50 50 HHGA COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c(OC)c1OC 5720363 JISZLGNVXWCMSH-MFKUBSTISA-N 420.465 3.909 50 50 HHGA C[C@@H](Cl)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1875380598 SZRLCZSXQJCGTF-CQSZACIVSA-N 424.973 3.858 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H]1c1c(F)cccc1Cl 1162769 XUDOLTIKVVDWKL-CQSZACIVSA-N 411.780 3.996 50 50 HHGA COc1ccccc1C(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 1926509 ZMGKFMOVOIGFFF-UHFFFAOYSA-N 419.915 3.513 50 50 HHGA COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N1 1229206 HKWFLXYBLAMVIZ-HXUWFJFHSA-N 423.494 3.829 50 50 HHGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OCC)C(O)=N1 8971514 IHNADNXWVBEOFC-HZPDHXFCSA-N 422.890 3.604 50 50 HHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cccc(O)c1 1798391 OJBVTLMNOADWDH-VXLYETTFSA-N 416.553 3.778 50 50 HHGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 2849622 QKIZPPLQBQQVNM-QGZVFWFLSA-N 411.914 3.728 50 50 HHGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21 196171314 ORAIDUCDXBCMJG-UHFFFAOYSA-N 405.376 3.626 50 50 HHGA N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccc(F)cc1 16400203 UNWXAEREBGJYQR-QPEQYQDCSA-N 423.181 3.958 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 4614118 BVHNLECSNVLEEY-GOSISDBHSA-N 407.817 3.961 50 50 HHGA COc1cc(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)cc(OC)c1OC 1202161 UNYWFUGRTWNNPI-LZCVXGSNSA-N 407.470 3.816 50 50 HHGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(I)cc2)cc1 1229866 QXALFVLSDQKYEQ-UHFFFAOYSA-N 422.266 3.664 50 50 HHGA N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ncc(Br)cc2[nH]1 4978970 DVVAWPLPPIUGQL-NTEUORMPSA-N 410.275 3.621 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CC[C@@H](C)C2 17093679 OOYOBXWAHPIFAN-SECBINFHSA-N 423.585 3.661 50 50 HHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccccc1 4209758 RNBLHPSATNQHQE-VULFUBBASA-N 421.884 3.799 50 50 HHGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(F)c1 1229815 DEKRTXOLEOYKDC-CNHKJKLMSA-N 416.044 3.820 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc(O)cc1 4978901 FEDIFEBZCNEZFZ-OAHLLOKOSA-N 409.243 3.763 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)cc1 6636291 QXUGCSVFFRVTOV-UHFFFAOYSA-N 408.527 3.819 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1 19758062 DYYIMXLMFRRODY-RBUKOAKNSA-N 422.330 3.584 50 50 HHGA CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100534774 VPRXXFCMSNHHCI-UHFFFAOYSA-N 401.507 3.629 50 50 HHGA O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)OCO2 2858727 YOMMAGSJRCVMBZ-UHFFFAOYSA-N 403.394 3.506 50 50 HHGA COc1ccccc1[C@@H](CNC(=O)[C@@]1(C)CCCc2ccccc21)NC(=O)CCl 1875386452 QRGAFUOXJTZXNL-XXBNENTESA-N 414.933 3.502 50 50 HHGA O=C(N/N=C/c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2581508 CUGWHVSEKJYFIT-HYARGMPZSA-N 413.886 3.905 50 50 HHGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231895 QUFPNBQLUUJATK-HYARGMPZSA-N 413.886 3.905 50 50 HHGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 4978927 LDBYMSVMYBKJLX-INIZCTEOSA-N 406.467 3.760 50 50 HHGA CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O 8425442 XJCKQZPBVIKDJB-UHFFFAOYSA-N 401.507 3.916 50 50 HHGA O=C(CCl)N[C@H]1CN(C(=O)C2(CCc3ccccc3)CC2)CC[C@H]1C(F)(F)F 1875385775 BIYRQOWLOYQBDX-CVEARBPZSA-N 416.871 3.534 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)cc1 2520080 PBOQIMWSXQVGPG-AFUMVMLFSA-N 422.412 3.583 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 4283070 ZDRAKQPEROGZKL-OEAKJJBVSA-N 419.393 3.587 50 50 HHGA CCN(CC)C(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799754384 LTUYHBZYUXQEFB-UHFFFAOYSA-N 404.392 3.816 50 50 HHGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1 9046089 GRNVOGHNIDPZMA-SRZZPIQSSA-N 413.275 3.871 50 50 HHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)n[nH]1 5297261 CVZHWHBWNHRMSQ-VXLYETTFSA-N 414.219 3.511 50 50 HHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 4230014 YPCJXLFTZOBQAR-VULFUBBASA-N 421.884 3.799 50 50 HHGA CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21 5126472 UBBPLZMDEORPAM-IBGZPJMESA-N 416.437 3.812 50 50 HHGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2387531 SMWAWTSLYXZQTM-LSHDLFTRSA-N 402.237 3.941 50 50 HHGA O=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239229078 UQSQLEDRQPHCSK-AJCKKNKHSA-N 405.075 3.503 50 50 HHGA O=C(Cc1cccs1)N/N=C/c1cc(Br)cc(Br)c1O 1474984 WGZDEHFCZBHHPS-FRKPEAEDSA-N 418.110 3.672 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC 718010 QPPJZWUVPWWOGI-YUNKPMOVSA-N 422.437 3.514 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1OC 2584772 GXQZBPBKUHKEKX-MFKUBSTISA-N 418.449 3.995 50 50 HHGA CC(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799747066 PSFKENKDVWARCF-UHFFFAOYSA-N 411.405 3.516 50 50 HHGA CCOc1ccc(NC(=S)NNC(=O)CCSCc2cccc(F)c2)cc1 17087760 XMHWNRYAWPKKJR-UHFFFAOYSA-N 407.536 3.866 50 50 HHGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 2565189 SHXVGSXNZHKFQP-LSHDLFTRSA-N 402.237 3.941 50 50 HHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772632708 XBNRHHBLKMJXND-FMVFYWRISA-N 415.493 3.666 50 50 HHGA CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5344819 CCMHOQMUSOPEKO-XQNSMLJCSA-N 423.494 3.650 50 50 HHGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1Br 752669 KZOZOFWXPYOKAR-XYZCENFISA-N 419.275 3.527 50 50 HHGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c1 2544294 SKXIPVHDDMMCOK-MFKUBSTISA-N 417.465 3.671 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 2553584 GDXIYOUEEGWDEG-JFLMPSFJSA-N 415.493 3.763 50 50 HHGA Cc1ccc(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)c(C)c1 3130820 UXFHMABXUVQFLC-LLVKDONJSA-N 403.162 3.641 50 50 HHGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cc(F)ccc2F)C(C#N)=C(N)O3)c1 4978896 LFMXLIOPGTYXBJ-QGZVFWFLSA-N 410.380 3.590 50 50 HHGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)cc1 12420861 IWGAZXJEMODWPC-IBGZPJMESA-N 422.466 3.970 50 50 HHGA COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1O 1185337 NNNGHUFCDSXOKZ-AAWHYMEISA-N 401.260 3.948 50 50 HHGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 2543816 CUDMCHDKTSZQLA-FSJBWODESA-N 410.813 3.734 50 50 HHGA O=C(CNc1ccc(I)cc1)N/N=C/C=C/c1ccccc1 2995995 XLNSQVULBQXXSY-LIJKSJPWSA-N 405.239 3.519 50 50 HHGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1 2675382 XJFCQMWFFVGWEI-MFKUBSTISA-N 418.449 3.752 50 50 HHGA CCOc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)ccc1O 17081864 ZXCYMRYRLYOOCO-NTEUORMPSA-N 400.456 3.963 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2s1 863912 RDOXUBSMGMYJRG-KEBDBYFISA-N 417.512 3.565 50 50 HHGA N#CC1=C(N)Oc2nc(SCc3ccccc3)nc(N)c2[C@H]1c1ccccc1F 1430784 WRFFHKCXXWPWSR-INIZCTEOSA-N 405.458 3.708 50 50 HHGA Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)cc1 1424590 UPKHYMLGAULQCR-XMMPIXPASA-N 414.440 3.545 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2963603 UAUYOZNAROJTMD-WSDLNYQXSA-N 407.301 3.928 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 4953987 LJXKWWZXMQCRJA-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)cc2)c(O)c2ccccc21 299738345 YMGONIKEHCYHMX-BUVRLJJBSA-N 407.470 3.757 50 50 HHGA Cc1cc(F)ccc1-c1ccc(C(=O)NNc2nc3ccccc3c(=O)n2C)cc1F 735272938 NRBJNXZLHLHECO-UHFFFAOYSA-N 420.419 3.944 50 50 HHGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1233300 OYKVJVKFBMMMSE-FSJBWODESA-N 419.393 3.520 50 50 HHGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OCc2ccccc2)c1 4283344 WLLRTBOXHVBVJF-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA COC(=O)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1241539 BYHWKPUXERTCEM-PCLIKHOPSA-N 403.482 3.847 50 50 HHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(C(=O)OCc2ccccc2)CC1 1102178 KNLFQLBEEUTCLJ-UHFFFAOYSA-N 421.497 3.773 50 50 HHGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2520027 DPTYFMPJFGTWSU-DHRITJCHSA-N 410.376 3.713 50 50 HHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Br)cc1 5676585 CUUPJNOGCWCJOB-KOUDTOEKSA-N 418.291 3.737 50 50 HHGA CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1 727615 GRDVJMXOXJKTQO-RGVLZGJSSA-N 407.264 3.629 50 50 HHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1 4259874 PCFXNAUKINSVAZ-WGOQTCKBSA-N 403.482 3.899 50 50 HHGA Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16268459 IATVKWDIWBUPEL-UNOMPAQXSA-N 421.478 3.504 50 50 HHGA Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16319914 NVJHYAJUBZAEPR-PDGQHHTCSA-N 422.466 3.714 50 50 HHGA O=C(CCl)NCC1(c2ccccc2)CCN(C(=O)[C@]2(C3CCC3)CC2(F)F)CC1 1875385758 AYTKNOQMIQUKHR-OAQYLSRUSA-N 424.919 3.727 50 50 HHGA O=C(CCl)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3130826 ZWNROSBTVJZPJL-SECBINFHSA-N 409.553 3.678 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1 13635586 DYYIMXLMFRRODY-RTBURBONSA-N 422.330 3.584 50 50 HHGA Cn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nc2ccccc21 945918 INBQGHIPZAEZBZ-VXLYETTFSA-N 403.305 3.578 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1OC 2584675 FAAZYGHWIAYOSN-PCLIKHOPSA-N 418.449 3.616 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc(N)cc2)ccc1OC(=O)c1cccc(C)c1 15934407 JVYYVSOAKPPNHQ-AFUMVMLFSA-N 403.438 3.569 50 50 HHGA CC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccc([N+](=O)[O-])cc1 245240388 PSNVUBXIHJOLRE-UHFFFAOYSA-N 402.838 3.816 50 50 HHGA CCc1c(C(=O)NNC(=S)Nc2sc(C)c(C)c2C(=O)OC)csc1C 17089013 ZEFLOLRGOCGTSP-UHFFFAOYSA-N 411.574 3.715 50 50 HHGA CCC(C(=O)N/N=C/c1ccccc1Cl)C(=O)N/N=C/c1ccccc1Cl 39959616 ZOGJQEXNKNRMMQ-LCHFAGMQSA-N 405.285 3.620 50 50 HHGA O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1ccc(Br)o1 13497553 JAONDRLVXYANCJ-UHFFFAOYSA-N 408.199 3.692 50 50 HHGA O=C(Oc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1 4360251 CDSRXOMYDKVUNT-PGLVWIQMSA-N 408.841 3.743 50 50 HHGA Cn1c(/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc2ccccc21 4997457 RMOVRRIGZKNFAJ-QINSGFPZSA-N 404.451 3.545 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 1144000 ZIIFJDOTZSVJOV-NRFANRHFSA-N 417.421 3.989 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 4059296 CQLPSLOCGRDQMI-WGOQTCKBSA-N 402.498 3.566 50 50 HHGA Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1cncc(Br)c1 13617743 LPADZIGBQWDSQS-FBHDLOMBSA-N 418.682 3.756 50 50 HHGA CCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 8425445 QLZFJKARKMBSGT-UHFFFAOYSA-N 415.534 3.926 50 50 HHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 4209516 IAUGUSQFPPNNLT-AWQFTUOYSA-N 420.281 3.601 50 50 HHGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)cc1 225440053 JRGCBHQAWXRBPG-YDZHTSKRSA-N 405.410 3.952 50 50 HHGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)s1 12401689 XWSIRSPWINPNLB-MRXNPFEDSA-N 424.555 3.738 50 50 HHGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2544461 JMGJCKISVASAFE-JFLMPSFJSA-N 411.461 3.882 50 50 HHGA O=C(OC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 38346931 YYVZPZJEMLBIGM-TWMKSMIVSA-N 423.234 3.527 50 50 HHGA in-vitro I[C@H]1CN(Cc2ccccc2)C2(CCC3(CC2)OCCO3)C1 116517540 OQRFPUIWLRKDBA-MRXNPFEDSA-N 413.299 3.752 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O 2541778 GODAOLMKRNVIFM-QGZVFWFLSA-N 415.335 3.662 50 50 HHGA CCCCCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 253470795 DZBLFEBIJGDBJV-KGENOOAVSA-N 414.418 3.765 50 50 HHGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1 2851134 CDHDWPBDJKMGIR-UHFFFAOYSA-N 401.488 3.660 50 50 HHGA O=C(COc1cccc(Br)c1)N/N=C/c1cccc(Br)c1 1197740 WUQLBYZKBMMOOD-GIJQJNRQSA-N 412.081 3.741 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccccc1 4330085 CZLRMXBYYTXICB-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N\NC(=O)c3ccoc3C)cc2)cc1 5577029 YBIWCXSVQQFTMB-MYYYXRDXSA-N 405.454 3.932 50 50 HHGA COc1cccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1O 4366610 RSIJPRDQTFUFCD-ZVHZXABRSA-N 406.438 3.509 50 50 HHGA CCCCOc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 4372882 PBHSUACMLIIBFP-CIAFOILYSA-N 421.291 3.863 50 50 HHGA O=C(N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1)c1cc(O)cc(O)c1 13321915 XVYXLIHSCFQRSE-FSJBWODESA-N 410.813 3.734 50 50 HHGA CCc1c(OC)ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1OC 766495 MWLLFPCWGIJZDR-SRZZPIQSSA-N 417.487 3.558 50 50 HHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4259236 KOGNCZDCKXEXKY-MFKUBSTISA-N 418.449 3.752 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 857689 BLPFYCBNISIWEI-MRXNPFEDSA-N 403.276 3.909 50 50 HHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1 5313763 FGGWQWNHXVUMFK-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA CCCCOc1ccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)cc1 6635683 MEPLOQIKCZNPQT-UHFFFAOYSA-N 408.527 3.819 50 50 HHGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc([N+](=O)[O-])c1O 15745687 OZVYHZBHWFAFFC-WZUFQYTHSA-N 418.203 3.617 50 50 HHGA O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239415370 UGFFVTCPSSJBQX-BOCQSXMYSA-N 405.075 3.503 50 50 HHGA COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 1208194 HSAOPAPAWNSBMI-DJKKODMXSA-N 419.304 3.576 50 50 HHGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1OCc1ccccc1 5403221 QPFQYYVILHPOPN-ZVHZXABRSA-N 404.470 3.640 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 6265078 SJQCZSWCTOMIOC-HYARGMPZSA-N 407.430 3.928 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cc(O)cc(O)c1 15924882 DYRFIERMQMNKAB-FSJBWODESA-N 410.813 3.734 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2755376 AYCVUAPKHBBCGT-ZMOGYAJESA-N 406.408 3.640 50 50 HHGA Cc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 1071383 MVADBOWTVGCUKV-UHFFFAOYSA-N 419.319 3.895 50 50 HHGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 2518699 MAFHATNZMOFZPE-MFKUBSTISA-N 417.465 3.671 50 50 HHGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 2520395 PEHOBMCLVGRBGV-MFKUBSTISA-N 414.465 3.645 50 50 HHGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 4179608 JPNPQZZUGOXKCS-LPYMAVHISA-N 416.865 3.768 50 50 HHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4259979 GEWQKQSOBKDVCC-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA N#CC(=C=N)c1nc2ccccc2nc1-n1ccc(=NC(=O)/C=C/c2ccccc2)cc1 334157727 DJRXNOOYZURVQO-ZHACJKMWSA-N 416.444 3.717 50 50 HHGA COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3s2)c(OC)c1 1241605 UWFGGHVREILHLH-KEBDBYFISA-N 417.512 3.565 50 50 HHGA N#CC1=C(N)N(Nc2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2542333 JLMIZVXCNIXGQU-HXUWFJFHSA-N 401.426 3.722 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc(C)c1C 17091954 RFASOZYVWWNNGP-UHFFFAOYSA-N 419.553 3.998 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 4366171 MDTNPVBSWQQPBB-HADWXUJASA-N 403.276 3.932 50 50 HHGA CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)C(C#N)=C(N)O1 729269 SJHBBKFNRJLPAG-INIZCTEOSA-N 421.291 3.883 50 50 HHGA O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1Br 13518929 BRCRWFBQMITWJY-UHFFFAOYSA-N 402.676 3.873 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccncc2)cc1 1775976454 MYBKPUKTCGTBPB-QFIPXVFZSA-N 413.433 3.918 50 50 HHGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)c1ccc(Br)cc1 1214122 CIWBRSSPXDUELH-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 2585019 NGUBRQGCXZFTOP-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc(C)c2C)c1C(=O)OC 17089012 RNCCHFAAGUKOOU-UHFFFAOYSA-N 411.574 3.715 50 50 HHGA O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1)c1ccco1 2381309 DGENTZCUXWPTIB-LPYMAVHISA-N 401.382 3.804 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 15163294 LJZZQZDNHSHMTQ-IEBWSBKVSA-N 411.431 3.841 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1cnccn1 2521117 GDFJINGNWKWIBZ-YSURURNPSA-N 415.236 3.767 50 50 HHGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 2934825 HWBZKVDYHSWMRV-UHFFFAOYSA-N 405.292 3.587 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 4366173 MDTNPVBSWQQPBB-CNRHGSOZSA-N 403.276 3.932 50 50 HHGA CC1=Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)N1CC(=O)NN 835870 MHGOTNLNSZQIJI-KRWDZBQOSA-N 407.699 3.547 50 50 HHGA COc1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1 5060184 DRQVCBDHIVFVIS-MSOLQXFVSA-N 411.502 3.958 50 50 HHGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cn2cc(Cl)cn2)cc1 2102308 QPZDHXXNQOCXOS-BMGPFKPPSA-N 409.833 3.922 50 50 HHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2OCc2ccccc2)[C@@]2(CCO2)[C@H]1O3 257357928 QUWIEIIQHGMURK-AHNCBSJRSA-N 420.578 3.601 50 50 HHGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2668889 PQNABDNMWMSTOR-INIZCTEOSA-N 403.276 3.909 50 50 HHGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)O 15012369 RWMYFVBJZHDOGN-ZROIWOOFSA-N 400.818 3.748 50 50 HHGA O=C1NC(c2ccccc2)=N[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011747 TUTBRMSOJIEAGF-HHHXNRCGSA-O 421.460 3.883 50 50 HHGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1OCC 1192286 JUECSEYFLZGEOH-VRCTWVPOSA-N 402.520 3.522 50 50 HHGA O=C1OC(=O)c2cc(Oc3cccc(Oc4ccc5c(c4)C(=O)OC5=O)c3)ccc21 109865325 ONEMZCBKPSBQJO-UHFFFAOYSA-N 402.314 3.892 50 50 HHGA CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 4899468 XGSZKZYRDFXIHX-HNNXBMFYSA-N 424.450 3.515 50 50 HHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1Cl 4282478 OESRLQFSZBHYNN-LSHDLFTRSA-N 401.253 3.939 50 50 HHGA O=C(NNc1cnc2ccccc2n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 765989384 AYODOKYPPFYCDG-UHFFFAOYSA-N 413.466 3.696 50 50 HHGA C=CCOc1ccccc1/C=N/NC(=O)c1cccc(I)c1 2898689 BXCBVGKYALFQDH-XDHOZWIPSA-N 406.223 3.620 50 50 HHGA O=C(NNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 728305978 ZBKPGWVTJNAXAN-LJQANCHMSA-N 403.438 3.760 50 50 HHGA C=C(C)C(=O)OC[C@@H](O)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 196246938 NBOCBWJUDBATAS-INIZCTEOSA-N 422.743 3.648 50 50 HHGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1F 946786 IJLPYIUJZCIVBO-UFWORHAWSA-N 407.268 3.707 50 50 HHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 4372611 MDHJJJYHSBIFGF-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA O=C(NNc1cc(-c2ccccc2)nc2ncnn12)Nc1cccc(C(F)(F)F)c1 221527115 ZEQXKGUHAGMEIL-UHFFFAOYSA-N 413.363 3.959 50 50 HHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H](O)c1ccccc1 1208806 FACAUOCVQURXES-OJLHXUGZSA-N 414.440 3.862 50 50 HHGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 4260643 KMKJOURSAMAYGL-MFKUBSTISA-N 417.465 3.671 50 50 HHGA C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 5007073 LKWXJOGMLFWTSQ-LYBHJNIJSA-N 421.522 3.731 50 50 HHGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1253614 ICOYHSQAIGBFHW-HZHRSRAPSA-N 416.510 3.515 50 50 HHGA CC(C)Cc1cc(C(=O)NCCSSCCC(=O)O)nn1-c1ccccc1 1875388653 KKOKIJUAEJFGNB-UHFFFAOYSA-N 407.561 3.657 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3C)cc2OC)cc1 4259784 JXMBFLKKRAIVLJ-MFKUBSTISA-N 418.449 3.995 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 3145024 HMKBWSNLROLUAD-MFKUBSTISA-N 418.449 3.752 50 50 HHGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)cc1 17088210 BMTGMPYPLCKBPF-LBPRGKRZSA-N 409.364 3.528 50 50 HHGA CCOC(=O)c1ccc(NC(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cc1 2857987 OHQOQBCWPWTUBV-UHFFFAOYSA-N 410.257 3.566 50 50 HHGA Cc1c(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C 6253957 BLONORCETGSBRA-KAMYIIQDSA-N 410.836 3.823 50 50 HHGA COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1OC 12336302 PORWWRQKDWMLQF-MOPGFXCFSA-N 403.862 3.698 50 50 HHGA in-vitro CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 2552911 YDHJJSOJTUADIQ-OEAKJJBVSA-N 421.478 3.619 50 50 HHGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4210491 YWCSEXJGEWLHEH-DPPKBNIASA-N 415.405 3.978 50 50 HHGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1cn(C)nc1C 17087337 IWPNINHSVJLDQU-OQLLNIDSSA-N 406.467 3.789 50 50 HHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4230216 SZPKQYNUKTZMDN-PCLIKHOPSA-N 417.465 3.753 50 50 HHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)c1 2520396 VJLBJRVWLGQXSB-MFKUBSTISA-N 415.449 3.611 50 50 HHGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 713359 YTTLEKFATVHENA-OAQYLSRUSA-N 416.437 3.908 50 50 HHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 9123145 SLPHRIXIQOIFFE-WSDLNYQXSA-N 401.382 3.608 50 50 HHGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OCCC)cc2)cc1 4327402 PTTWQXIKRLRNPQ-PCLIKHOPSA-N 411.502 3.534 50 50 HHGA C[C@@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)CCCc2ccccc21 1875383260 MNVYCVVMNMAEGF-ZPZUNKDASA-N 424.972 3.852 50 50 HHGA COc1cc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1OCCCCl 225421624 GBRIFKWUGMNOFD-OAHLLOKOSA-N 422.875 3.593 50 50 HHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772632713 XBNRHHBLKMJXND-RNAPXVLBSA-N 415.493 3.666 50 50 HHGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(C)cc1 2506459 RHPAUWQTNXDPBQ-PCLIKHOPSA-N 402.450 3.916 50 50 HHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 4302878 ZKSCMGUCVWTGSE-PCLIKHOPSA-N 415.449 3.557 50 50 HHGA COc1ccc(COCc2cccc(NC(=O)NNc3nc4ccccn4n3)c2)cc1 792270525 DKFPWHPYCLUYQK-UHFFFAOYSA-N 418.457 3.603 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O 691511 VHKCZMPRQXRZNQ-KRWDZBQOSA-N 415.335 3.662 50 50 HHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 9110115 DYDFPGDDXQPOEW-ZMOGYAJESA-N 402.433 3.782 50 50 HHGA O=C(N/N=C/c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)Nc1ccccc1 1229139 DQUIGKLPRLTQRM-DFEHQXHXSA-N 400.442 3.998 50 50 HHGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cnccn2)c1 2531525 ITMHWFDKEUWXRS-MZJWZYIUSA-N 410.433 3.921 50 50 HHGA COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 220954634 YXNWIUCLISUPMD-UXHICEINSA-N 406.507 3.709 50 50 HHGA O=C(CCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C\c1cccc(Cl)c1 31670099 SRZDURLEHFQXCO-SEKXJNOLSA-N 405.285 3.764 50 50 HHGA CCO[C@@H](CCl)[S@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3123913 ZSZJCORZFYGDTR-CPJLOUKISA-N 416.908 3.746 50 50 HHGA O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1ccc(Cl)cc1 4355522 QCRZMBWWJXKBRL-LSCMLXDISA-N 408.841 3.743 50 50 HHGA CCCCSc1nc(C)cc(SCC(=O)NNC(=S)Nc2ccccc2)n1 3130343 QJSVHXIJICHKHC-UHFFFAOYSA-N 421.617 3.787 50 50 HHGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccccc2)c1 4355666 ZYVWXZBDCGLQPV-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 100731944 ULZJPKBYMZTMJJ-PCLIKHOPSA-N 406.486 3.836 50 50 HHGA CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 4993096 CTOYFEIFRRZIQA-GOSISDBHSA-N 417.425 3.992 50 50 HHGA CCO[P@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N1CCOCC1 100250377 RKLAZMPDGTVLRF-KRTVLASXSA-N 424.437 3.947 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@@]12C(=O)Nc1ccccc12 2340158 RIVYQOGNERCRDS-NPMABZOXSA-N 417.852 3.655 50 50 HHGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 4366310 HIHZLPYOINQOIX-CNRHGSOZSA-N 403.276 3.932 50 50 HHGA Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)[nH]c2c1 4452834 MWPFDCQUGOFJLU-RVDMUPIBSA-N 404.451 3.843 50 50 HHGA O=C(CCC(=O)Nc1ccc(Cl)cc1)N/N=C\c1cccc(Br)c1 32678400 QYOMCLRPSNUZSJ-JAIQZWGSSA-N 408.683 3.972 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 2544393 PBHVNIJTTVGOCH-KOEQRZSOSA-N 402.450 3.997 50 50 HHGA O=C(C[C@H]1OCCc2ccccc21)NNC(=S)Nc1ccccc1C(F)(F)F 225393024 BYZADDOOEPLWDQ-MRXNPFEDSA-N 409.433 3.727 50 50 HHGA O=C(NNC(=O)[C@@H]1CCCc2n[nH]cc21)c1cc(-c2cccs2)nc2ccccc12 1875261213 IVVOARCTUFUPHA-CQSZACIVSA-N 417.494 3.568 50 50 HHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(Br)cs1 1427735 GGMQCONTTPKMTK-AWEZNQCLSA-N 414.284 3.581 50 50 HHGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)C(C#N)=C(N)O1 1228349 DZGLYXHYVVXYKX-INIZCTEOSA-N 421.291 3.883 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cccnc1 1435048 AENNRMWXZKZRBF-FSJBWODESA-N 424.254 3.827 50 50 HHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(OC)cc2)o1 2792971 DDCPZFTVFQNPDF-FQEVSTJZSA-N 410.426 3.512 50 50 HHGA Cc1ccc([C@]2(O)NC(S)=C(C#N)[C@H](c3ccc(F)cc3)[C@@H]2[n+]2ccccc2)cc1 20587106 QSVFLFXYXNCOOC-WPFOTENUSA-O 418.517 3.860 50 50 HHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1 2553631 BLRCQBDVZMLZDQ-VULFUBBASA-N 421.884 3.799 50 50 HHGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 71775015 APJLSNIMIHMZPO-UKQHYDMASA-N 418.497 3.503 50 50 HHGA CC(C)(C)[Si](OCCI)(c1ccccc1)c1ccccc1 169837603 XRGRXPFJGNTEAB-UHFFFAOYSA-N 410.371 3.998 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccccc1 850043 OPLLNBSKIVEOTA-OAQYLSRUSA-N 416.433 3.754 50 50 HHGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 4978847 LRWUGAPSLMMXPA-KRWDZBQOSA-N 405.483 3.932 50 50 HHGA CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCN(C(=O)OC(C)(C)C)C2 74941483 IYQCOIYSIKDVAW-SNVBAGLBSA-N 416.927 3.784 50 50 HHGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)o1 4259678 VVVFTDUIGGFQDY-FSJBWODESA-N 424.844 3.583 50 50 HHGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1Cl 1226059 DMLOFDKKEVWANG-DJKKODMXSA-N 413.646 3.507 50 50 HHGA O=C(N/N=C(\Cn1cncn1)C1CC1)c1ccccc1OCc1ccccc1Cl 1875262048 GTDKZAUQVUPJIM-NCELDCMTSA-N 409.877 3.707 50 50 HHGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 707182 CDNYZNDNNYEDBD-QFIPXVFZSA-N 410.433 3.592 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1OC 1113257 URTPTXQVKMNHGZ-NRFANRHFSA-N 406.438 3.529 50 50 HHGA Cc1cc(OCC(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C)c1Cl 4646325 QEOCUEJKHWZCOL-UHFFFAOYSA-N 405.926 3.635 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccccc4C(F)(F)F)[C@H]3[C@H]1CC2 229958666 SYKMGGBOPDTRLO-HAFFEQERSA-N 409.415 3.592 50 50 HHGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl 2379941 WNQHWGUCADFYGY-UFWORHAWSA-N 415.074 3.845 50 50 HHGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)c(OC)c1 2506323 SOXVESFHZKRSRM-CIAFOILYSA-N 419.275 3.795 50 50 HHGA COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 32138779 ULOKADSYVZOTTL-CFRMEGHHSA-N 404.422 3.767 50 50 HHGA in-vitro O=C(CCl)NC[C@@H](NC(=O)c1cccc2c1OCC2)c1ccc2ccccc2c1 1875386830 ZUZRNALJDPOOGR-HXUWFJFHSA-N 408.885 3.601 50 50 HHGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4210729 UWDCBKFXKPQGDR-SQTMOLFMSA-N 415.405 3.978 50 50 HHGA CCOC(=O)/C(C#N)=C\c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 17081826 SFZHPCFJKHJKFT-ZSOIEALJSA-N 400.362 3.792 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 1080088 XDYQYCBZWLMWDU-QGZVFWFLSA-N 404.436 3.918 50 50 HHGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 702292 XYIBQNCLJMBWNY-NRFANRHFSA-N 401.441 3.757 50 50 HHGA O=C(COc1ccccc1Br)N/N=C/c1ccccc1Br 1215535 UNYSPQSLQXELHR-GIJQJNRQSA-N 412.081 3.741 50 50 HHGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344756 JWARWQXOPFOWDW-BUVRLJJBSA-N 418.478 3.733 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O 1080087 XDYQYCBZWLMWDU-KRWDZBQOSA-N 404.436 3.918 50 50 HHGA CC(C)(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CCl)cc1 4521246 PTCFDJRJOGPUFE-ROUUACIJSA-N 413.341 3.970 50 50 HHGA biogenic,in-vitro Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 803799 HAQBAPXAYZFIJL-LJQANCHMSA-N 418.478 3.957 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(C)cc1 5409098 IKSZGXNEYHTZFT-NRFANRHFSA-N 402.454 3.832 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1OC 2584668 OGHGPMYHEIOFMZ-LPYMAVHISA-N 410.451 3.748 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1O 102295370 PYPIHAFAEPXKTB-LFVJCYFKSA-N 405.539 3.888 50 50 HHGA CC(C)(C)[Si](C)(C)OCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 169838478 RMSAAYKUAWSMGS-SFHVURJKSA-N 406.599 3.926 50 50 HHGA COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N1 1229207 HKWFLXYBLAMVIZ-FQEVSTJZSA-N 423.494 3.829 50 50 HHGA C/C(Cn1nnc2ccccc21)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5674033 XAOKBMQKXZIOOR-KIHMUJGBSA-N 406.273 3.698 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 102295110 FMWSWUGHEZPUMW-BUVRLJJBSA-N 403.523 3.903 50 50 HHGA N#CC1=CN2[C@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@@H]2C=C1 252695190 WCXHIOXBJLOALR-OTWHNJEPSA-N 419.282 3.575 50 50 HHGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 4210163 BEQFNHRMTKEBKW-AWQFTUOYSA-N 420.281 3.601 50 50 HHGA C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 2842237 BQRXFOWDNCWPIH-GOSISDBHSA-N 412.873 3.811 50 50 HHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5402667 HLMZRTQDFXFIDI-VXLYETTFSA-N 414.219 3.511 50 50 HHGA N#Cc1c(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 4210484 YTHHEHDBAVKJED-LSFURLLWSA-N 421.309 3.894 50 50 HHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4259284 YWJVTFQLAXUVLY-LPYMAVHISA-N 410.451 3.505 50 50 HHGA C/C(=N\NC(=O)c1c(Cl)cnn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 676335 BSPXAQUAQDZVNW-BRJLIKDPSA-N 413.840 3.619 50 50 HHGA O=C(N/N=C/c1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4229991 YUXUGOOMUVAKGZ-HYARGMPZSA-N 413.886 3.905 50 50 HHGA C/C(=N\NC(=O)COc1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 5612632 SNFZWDAJQDWPEN-WGOQTCKBSA-N 405.429 3.997 50 50 HHGA CCN(CC)Cc1cc(/C=N/NC(=O)c2ccc(Br)o2)ccc1OC 6757742 FXXSXHNSIQKIAC-RGVLZGJSSA-N 408.296 3.656 50 50 HHGA O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 799960 HIHDKCMOZTXQEB-YOEHRIQHSA-N 413.783 3.954 50 50 HHGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)OCC)C(O)=N1 8971512 IHNADNXWVBEOFC-JKSUJKDBSA-N 422.890 3.604 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 690857 FTIDNJZYUJSCTA-HTAPYJJXSA-N 402.473 3.796 50 50 HHGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1 9271488 OYGGOIVEDRQQKD-VXLYETTFSA-N 418.320 3.731 50 50 HHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772632710 XBNRHHBLKMJXND-LNQQEWOJSA-N 415.493 3.666 50 50 HHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12 2112631 WYARHDVFRWMYSB-UHFFFAOYSA-N 408.527 3.818 50 50 HHGA Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C 409002718 WNLOMNDKCSQPAF-LDADJPATSA-N 406.442 3.594 50 50 HHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 1427045 IESDJRBRCBJUPU-MRXNPFEDSA-N 408.255 3.519 50 50 HHGA O=C(NNc1c(F)c(F)c(F)c(F)c1F)C(O)(c1ccccc1)c1ccccc1 2262515 WOAQAEQHWLWHDB-UHFFFAOYSA-N 408.326 3.761 50 50 HHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4261202 OJNUWPVHYJCJAH-AFUMVMLFSA-N 422.412 3.583 50 50 HHGA O=C(NNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)[C@H]1Cc2ccccc2O1 748275501 CJARBSMFNVWDQV-GOSISDBHSA-N 418.415 3.668 50 50 HHGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1O 15745674 UTHPSVFBSKMECL-SDQBBNPISA-N 403.232 3.718 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc(OC)c1OC 17180546 IRDVCCYUONJSLI-SSDVNMTOSA-N 414.849 3.520 50 50 HHGA COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1O 8396539 KLAWGVUCZYTEQN-LSHDLFTRSA-N 419.268 3.716 50 50 HHGA O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239415371 UGFFVTCPSSJBQX-BOKPKCGUSA-N 405.075 3.503 50 50 HHGA O=C(NNc1nc(O)c2ccccc2n1)c1cc(-c2ccncc2)nc2ccccc12 758307753 OROCGVBSVWVQCE-UHFFFAOYSA-N 408.421 3.703 50 50 HHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(I)c1 857102 YWIFNFPPRJQBSS-HNNXBMFYSA-N 420.250 3.742 50 50 HHGA Cc1ccc2c3c1[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 2849283 OMOPLUHUKHTSKG-YEBMWUKDSA-N 401.466 3.705 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccncc2)cc1 1775976450 MYBKPUKTCGTBPB-JOCHJYFZSA-N 413.433 3.918 50 50 HHGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1cc(Cl)ccc1Cl 2530400 SWXDARYWEMUSKJ-UFWORHAWSA-N 415.074 3.845 50 50 HHGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccn2)c1)c1cccc(Br)c1 2898233 UFWGUEVLPMPESO-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)ccc1O 5034544 XYYKMAZINSJOGN-ZMOGYAJESA-N 408.502 3.746 50 50 HHGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 17092578 CXRFSOWYAVZFRQ-IZZDOVSWSA-N 421.272 3.857 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CC[C@H](C)C2 17093678 OOYOBXWAHPIFAN-VIFPVBQESA-N 423.585 3.661 50 50 HHGA CCCCCCCC(=O)NNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 2860061 IYJKAACBCTVTRG-UHFFFAOYSA-N 407.470 3.609 50 50 HHGA CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC 4739913 XQLNMYLKXPNMAU-YBEGLDIGSA-N 421.453 3.976 50 50 HHGA COC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 4978942 GPTAFUUQEXYUSC-MDWZMJQESA-N 412.243 3.941 50 50 HHGA O=C(N/N=C/c1ccccc1Br)C(O)(c1ccccc1)c1ccccc1 1191642 ZXRIVOGTFVBMKQ-HZHRSRAPSA-N 409.283 3.835 50 50 HHGA O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 1000169 AOIYMHODZZYKNG-DHRITJCHSA-N 422.416 3.875 50 50 HHGA O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc2c(c1)OCO2 1233596 ISXZCSNFKOBHHY-UFWORHAWSA-N 407.289 3.561 50 50 HHGA CCOC(=O)N[C@@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3124297 HCYMYNFYSGDIGL-JOCHJYFZSA-N 407.406 3.956 50 50 HHGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O 13482118 HMRRSRJGYODNQI-GHXNOFRVSA-N 403.232 3.805 50 50 HHGA Cn1c(SCC(=O)N/N=C/c2ccccc2Br)nc2ccccc21 945940 VYFDWZFSDGCABR-VXLYETTFSA-N 403.305 3.578 50 50 HHGA COc1ccc(/C=N/NC(=O)CCSc2nc3ccccc3s2)cc1OC 1767769 HMXIYKMPASEGCZ-UDWIEESQSA-N 401.513 3.946 50 50 HHGA COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1 8968972 PWCQXMFJIKNKCC-MRXNPFEDSA-N 411.458 3.545 50 50 HHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 867806 QMLIIFIPUDKXGU-LSHDLFTRSA-N 417.252 3.934 50 50 HHGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 6784012 PCIFKBKHYZCCOQ-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1C(F)(F)F 2553750 BDEAJAOPWMBFIR-KTZMUZOWSA-N 418.202 3.892 50 50 HHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4261309 ARLHCPKHHINMKP-AWQFTUOYSA-N 424.682 3.508 50 50 HHGA O=C(NNC(=S)Nc1ccc(F)cc1F)Nc1ccc(Br)cc1 5041947 BRAMZAYQCSXTCV-UHFFFAOYSA-N 401.236 3.750 50 50 HHGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)csc2C1 17087449 ABFBPAAUWNZRBG-YUELXQCFSA-N 406.548 3.551 50 50 HHGA CCOc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC)c(OCC)c1 17081853 SHAWZSZEYAQCPB-GXDHUFHOSA-N 400.456 3.878 50 50 HHGA CC(C)(C)[Si](O[C@H]1C[C@H]2C(=O)C[C@H]3[C@@H](O)C[C@@H]1[C@@H]23)(c1ccccc1)c1ccccc1 169833794 SKNAAGUCAHOXDL-ADOUWIFLSA-N 420.625 3.538 50 50 HHGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccccc1NC(=O)c1cccs1 25580777 ULDFYYMFIUTCIF-OEAKJJBVSA-N 418.482 3.551 50 50 HHGA C=CCOC(=O)[C@H](Br)P(=O)(OCC(F)(F)F)OCC(F)(F)F 43199315 OUMCQVMZCABYDM-ZCFIWIBFSA-N 423.040 3.788 50 50 HHGA CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 71788009 CLAREYWIWVFFND-SFHVURJKSA-N 416.430 3.610 50 50 HHGA in-vitro O=C(NNC(=O)[C@H]1CCCc2n[nH]cc21)c1cc(-c2cccs2)nc2ccccc12 1875261212 IVVOARCTUFUPHA-AWEZNQCLSA-N 417.494 3.568 50 50 HHGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1 2141396 LDCSKUCVHNLIEQ-YDZHTSKRSA-N 402.882 3.791 50 50 HHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1 4260522 GLEMBECDKMUPEJ-VULFUBBASA-N 421.884 3.799 50 50 HHGA CCCCCCc1cc2cc(C(N)=O)/c(=N/NC(=O)c3ccccc3)oc2cc1O 1885215 XFLLFPKVEIZSIG-RWEWTDSWSA-N 407.470 3.606 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 690855 FTIDNJZYUJSCTA-JTSKRJEESA-N 402.473 3.796 50 50 HHGA CC(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22933370 BGEDTDJORCKTPZ-MFKUBSTISA-N 412.965 3.731 50 50 HHGA CCOc1cc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1O 3301487 ZALHZFXOQBHVJT-MFKUBSTISA-N 420.465 3.899 50 50 HHGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1 15636370 MREHTGWVNBTVTB-GOSISDBHSA-N 418.409 3.952 50 50 HHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 1791935 KFDAHSFNHSTLFS-ZVHZXABRSA-N 404.470 3.826 50 50 HHGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 823013 XUSIDXWGJKBKNQ-VFNWGFHPSA-N 402.450 3.912 50 50 HHGA O=C(O)CCSSCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 1875388574 HDVIZQKZJVKWDO-UHFFFAOYSA-N 420.343 3.765 50 50 HHGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 986036 NMKZXTURKCOBGZ-DYESRHJHSA-N 400.434 3.682 50 50 HHGA O=C(Oc1cccc(/C=N/NC(=O)c2ccc(O)cc2O)c1)c1ccc(Cl)cc1 2584695 GVLKQBYEWCZRJI-FSJBWODESA-N 410.813 3.734 50 50 HHGA COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 2858201 QBFFLPNUJCLJNB-UHFFFAOYSA-N 421.453 3.603 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4261274 AKLFHGJUMFSUFP-MFKUBSTISA-N 418.449 3.752 50 50 HHGA C/C(=N\NC(=O)Cc1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2F)cc1 13322011 BIPYRWPFSMMVSY-CVKSISIWSA-N 405.429 3.867 50 50 HHGA BrC(Br)C(Br)(Br)Br 95866606 OGVPXEPSTZMAFF-UHFFFAOYSA-N 424.550 3.941 50 50 HHGA in-vitro C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccncc1 4551737 XZBBEYZZVCHRRH-DEDYPNTBSA-N 415.569 3.858 50 50 HHGA COc1ccc(/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1OC 32649999 PTVXWXNRIPVBCF-MYYYXRDXSA-N 420.465 3.812 50 50 HHGA Cc1nc(-c2ccccc2F)sc1C(=O)NCCSSCCC(=O)O 1875388505 DSTHDAHQKMZAAW-UHFFFAOYSA-N 400.522 3.844 50 50 HHGA COc1ccc(Cl)cc1NC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 1118680 BXZQALCRWACQRE-UHFFFAOYSA-N 405.863 3.517 50 50 HHGA CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@@H](O)CCl)cc1 4521244 PTCFDJRJOGPUFE-HDICACEKSA-N 413.341 3.970 50 50 HHGA biogenic,in-vitro Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)CC3 779413215 RWVYRBXUMVNRNH-MRXNPFEDSA-N 413.481 3.526 50 50 HHGA COc1ccccc1[C@@H](CNC(=O)c1ccc2cc(C)ccc2c1)NC(=O)CCl 1875386530 SKIYSNIJMTVJQK-HXUWFJFHSA-N 410.901 3.983 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1 35896895 DYYIMXLMFRRODY-OALUTQOASA-N 422.330 3.584 50 50 HHGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520147 XQYOQSAGBOAXOA-ZVHZXABRSA-N 420.856 3.681 50 50 HHGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCC(N)=O)N1 4019914 MVONFSZOMIOQIJ-IBGZPJMESA-N 424.551 3.610 50 50 HHGA N#CC1=C(N)N(c2ccc(C#N)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12428977 NMAHTVLVEGHDTM-IBGZPJMESA-N 417.450 3.833 50 50 HHGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cnccn2)cc1 2543082 HNRZBZJTYYIXCG-MZJWZYIUSA-N 410.433 3.921 50 50 HHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1OCc1ccccc1 4229937 GMWOJMYTRMUJCS-VULFUBBASA-N 421.884 3.799 50 50 HHGA C[C@@H](Cl)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1875363611 MICFPUHBSYKAFX-VXGBXAGGSA-N 416.831 3.588 50 50 HHGA CC/C(=N\NC(=O)c1c(Br)cnn1C)c1ccc(Br)s1 8454254 YYHDTVKFPUOMNL-LZYBPNLTSA-N 420.130 3.551 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)c1O 5297233 RLOLGMGYRSGQBV-ZMOGYAJESA-N 416.437 3.717 50 50 HHGA COc1ccc(NC(=O)NNC(=O)c2cc(C3CC3)nc3ccccc23)c(OC)c1 2853030 NYRALUQPQXDCTP-UHFFFAOYSA-N 406.442 3.596 50 50 HHGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12445277 UWZHNOUOOPYMQL-ATVHPVEESA-N 417.494 3.682 50 50 HHGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2csc3ccccc23)s1 2858963 TURWWYDPDOUFOE-UHFFFAOYSA-N 419.553 3.943 50 50 HHGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Cl 43761060 VBIULACHEAYCHM-SRZZPIQSSA-N 421.678 3.644 50 50 HHGA O=C(NNc1ccc(Br)nc1)C(=O)Nc1cccc(-c2ccsc2)c1 1875264757 YUIVIHMNSMSEAR-UHFFFAOYSA-N 417.288 3.654 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 100647432 YGNXCWBXSRVWFU-HZHRSRAPSA-N 420.510 3.788 50 50 HHGA O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772625764 AUEGXEYFXNTTJQ-CEMLEFRQSA-N 417.465 3.531 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O 691513 VHKCZMPRQXRZNQ-QGZVFWFLSA-N 415.335 3.662 50 50 HHGA O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 253470570 HAJFRXBRRWBRFA-HYARGMPZSA-N 414.870 3.872 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1OC 2531115 SJYJFVUWFMPDBB-AFUMVMLFSA-N 422.412 3.826 50 50 HHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 4258776 OTWVKFKCCLCHON-PCLIKHOPSA-N 403.438 3.854 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc2ccccc2c1 5611699 KKYUIMGVUKKIDJ-ZVHZXABRSA-N 400.438 3.569 50 50 HHGA I[C@@H]1CN(Cc2ccccc2)C2(CCC3(CC2)OCCO3)C1 116517538 OQRFPUIWLRKDBA-INIZCTEOSA-N 413.299 3.752 50 50 HHGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(OC)c1OC 1501818 PLQNTPLVJCFGMN-KEBDBYFISA-N 417.512 3.565 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)c1 4677875 TZTAOUZFLIVDLZ-YDZHTSKRSA-N 408.458 3.645 50 50 HHGA C/C(=N\NC(=O)c1cc(O)ccc1O)c1ccc(NC(=O)c2ccccc2C)cc1 17082642 NKUAAMKVBJZRMB-MFKUBSTISA-N 403.438 3.813 50 50 HHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccncc1 1247520 IOKZOEOAWXMPAG-ZVHZXABRSA-N 401.495 3.722 50 50 HHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cn2cnc3ccccc32)cs1 12412728 MEWZEUVUVJGWRB-FQEVSTJZSA-N 420.494 3.791 50 50 HHGA Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385884 DOSLQJOTTZLBOE-YJYMSZOUSA-N 413.905 3.761 50 50 HHGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(O)cc3O)c1)C2 677411 BBYWZFLOUBHVPB-BRJLIKDPSA-N 401.466 3.999 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1C 5595872 OHIZPAKSQCPXON-OAQYLSRUSA-N 402.454 3.832 50 50 HHGA COc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1OC 1112418 SLPVCPWCTHGDRU-LJQANCHMSA-N 413.437 3.793 50 50 HHGA O=C(N/N=C/c1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1211289 HDDMKDLZIBCOFL-IMRMQAIZSA-N 420.694 3.606 50 50 HHGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@@H]2C1 4452888 INZCGGHHJQUASV-NFBKMPQASA-N 409.493 3.594 50 50 HHGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)cc1 4981820 ZNAPYBSEGZZARO-BUVRLJJBSA-N 420.469 3.806 50 50 HHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(COCC(F)(F)C(F)F)cc1 2753296 WWXHCJHGFMZRCS-NUGSKGIGSA-N 413.327 3.776 50 50 HHGA O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1 3099749 GZZDOPPKFJJRQR-RGVLZGJSSA-N 408.683 3.972 50 50 HHGA CCn1cc(/C=N/NC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)cn1 1848444106 KHWJDBJOPCJFEI-LSHDLFTRSA-N 422.514 3.522 50 50 HHGA O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(F)c1 1229831 BFGWXJCOSPJRHL-CNHKJKLMSA-N 416.044 3.820 50 50 HHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2887389 DDKJUWQKUGXVKY-SFHVURJKSA-N 404.466 3.656 50 50 HHGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1 220952331 UKBJBKIFCLLIAK-NRFANRHFSA-N 414.465 3.600 50 50 HHGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccnc1 4600216 QIAIPKVHVUDPHG-DEDYPNTBSA-N 415.569 3.858 50 50 HHGA C[C@H]1Cc2ccccc2N1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 9329769 PTUFGLBRNNRXGD-WMLDXEAASA-N 421.497 3.875 50 50 HHGA O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772625770 AUEGXEYFXNTTJQ-ILWGZMRPSA-N 417.465 3.531 50 50 HHGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1422422 DPWZPCGYRTXPSN-XMMPIXPASA-N 414.440 3.545 50 50 HHGA CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 2506286 JDPUDPVQIOVKRP-RGVLZGJSSA-N 407.264 3.629 50 50 HHGA O=C(NNC(=O)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1)c1ccccc1 263639876 MSHYLNAPSPTQMN-UHFFFAOYSA-N 401.344 3.968 50 50 HHGA O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2Br)[nH]n1 1775971090 NVTHRLIQIAHAQG-UHFFFAOYSA-N 409.247 3.539 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1 1472120 DKDOTCGOTYAFGM-QFIPXVFZSA-N 413.477 3.626 50 50 HHGA biogenic CCCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 2907300 OYQXKZRYWNBZTP-CIAFOILYSA-N 402.520 3.523 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1CSc1ccccn1 4083105 ACKFVLRYTHEWLT-IBGZPJMESA-N 405.483 3.632 50 50 HHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4282868 ITPCABPDPJWHQM-LGJNPRDNSA-N 421.419 3.764 50 50 HHGA O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1ccc(Cl)cc1 4355520 QCRZMBWWJXKBRL-PGLVWIQMSA-N 408.841 3.743 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)/C=C/c1ccccc1 2521172 FVLHZCOCFGJKQB-XXRCXLCKSA-N 416.433 3.784 50 50 HHGA O=C(N/N=C/c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 1083248 KTDJOZBYRUMYLT-HZHRSRAPSA-N 409.283 3.835 50 50 HHGA COc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4231802 PNUQSFMLIQYLNM-HZHRSRAPSA-N 423.494 3.568 50 50 HHGA COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 15219445 DEWXLXDGJSIBIE-GHXNOFRVSA-N 403.232 3.718 50 50 HHGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 823016 XUSIDXWGJKBKNQ-YCRPNKLZSA-N 402.450 3.912 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2F)C2=C1C[C@@H](c1ccccc1)CC2=O 1440700 QQWIJKVFUPJYSH-ZHRRBRCNSA-N 402.473 3.796 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1C 5595871 OHIZPAKSQCPXON-NRFANRHFSA-N 402.454 3.832 50 50 HHGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(F)cc2)C(Cl)Cl)cc1 6211524 HHZOBIYQURKBLQ-OAHLLOKOSA-N 400.306 3.980 50 50 HHGA O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 64624481 UFFSXJKVKBQEHC-UHFFFAOYSA-N 410.057 3.722 50 50 HHGA in-vitro O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc2ccccc12 2892405 YYOZLAWRRCBGLN-WYMPLXKRSA-N 400.265 3.913 50 50 HHGA COc1ccc(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)cc1OC 1118672 XVJBFAAFNSZTRP-UHFFFAOYSA-N 405.545 3.666 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(C)cc1 2597697 VXJIJRGZZHHZAE-ZVHZXABRSA-N 404.422 3.692 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 35896923 LJZZQZDNHSHMTQ-MJGOQNOKSA-N 411.431 3.841 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(F)cc2Cl)o1 649231 ZIINJCDWYKWAAV-SFHVURJKSA-N 418.808 3.906 50 50 HHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(F)cc2)cc1 2520010 FRWHFBFLEPGBDR-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1 2571775 KUQWCVCUMMFPBY-UFWORHAWSA-N 415.074 3.845 50 50 HHGA CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCN(C(=O)OC(C)(C)C)C2 74941485 IYQCOIYSIKDVAW-JTQLQIEISA-N 416.927 3.784 50 50 HHGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)cc1OC 1477321 QFSIXPZZJXCHII-LPYMAVHISA-N 412.515 3.706 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1Cl 4302835 WZBHRGNWITZNHE-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccncc3)c2)cc1OC 689212 IQNIPFVUUMXKKD-YSMPRRRNSA-N 418.453 3.505 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1OC 2391584 YUGZJCDHNVZEIV-MFKUBSTISA-N 418.449 3.995 50 50 HHGA CCCSc1ccccc1N1CCN(CCCNC(=O)C(Cl)Cl)CC1 97973067 ULLCKZICVUEFII-UHFFFAOYSA-N 404.407 3.621 50 50 HHGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 4259397 JPTAEIUDBGZLNU-MFKUBSTISA-N 403.438 3.854 50 50 HHGA N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1cccnc1 1430910 UHXHFXXKKJELQM-HNNXBMFYSA-N 422.901 3.618 50 50 HHGA O=C(CCl)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl 25757663 ZTPIPSNXVDKTRT-VIFPVBQESA-N 409.553 3.678 50 50 HHGA Cc1[nH]c2ccc(Br)cc2c1CC(=O)N/N=C/c1ccc2c(c1)OCO2 1205366 MFTKVYISFIDEFS-ZVBGSRNCSA-N 414.259 3.660 50 50 HHGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 1245056 ANIKEPGEWLISQQ-RGVLZGJSSA-N 401.513 3.946 50 50 HHGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1)c1cccc(Cl)c1 2552638 ZUMGHXILYGUEHB-FSJBWODESA-N 410.813 3.734 50 50 HHGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229188 DYXCQCJCJQYBHB-ZOCVZFIWSA-N 404.253 3.753 50 50 HHGA CC(=O)OC[C@@H](Cl)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 257358373 TVFCEEIAIYQYHI-IPKRGXIZSA-N 404.934 3.972 50 50 HHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@]1(C)CC1(Br)Br 2103041 WOXRULFJDNMOBW-AVWXOPBPSA-N 413.113 3.823 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1OCC 2907437 CNELLCDNBPRQNK-QLPFJNHISA-N 414.531 3.688 50 50 HHGA O=C(O)[C@H](Br)[C@@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 1739559 WRXYCMJAGVGLTO-HTQZYQBOSA-N 419.884 3.544 50 50 HHGA O=C(N/N=C/c1cccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088338 QPCKGZUZWYHWLO-UDWIEESQSA-N 419.915 3.966 50 50 HHGA O=C(NNc1nc(O)c2ccccc2n1)c1ccc(N2CCc3ccccc3C2)cc1 758307969 RZXAFYXVLAKBRC-UHFFFAOYSA-N 411.465 3.655 50 50 HHGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cn1nc(C)cc1C 32573684 UONRSAWWRYVNTR-BKUYFWCQSA-N 407.495 3.895 50 50 HHGA COc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccccc1C 6789607 DCKUSXYQRZOUFL-UHFFFAOYSA-N 409.964 3.908 50 50 HHGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(Cl)cc1Cl 1192373 CSEGDHJKEKICRA-UHFFFAOYSA-N 413.058 3.842 50 50 HHGA C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc(NC(=O)c2ccccc2F)c1 17083152 WQUILNUNQHIBQB-YNYZQSIGSA-N 405.429 3.652 50 50 HHGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 986038 NMKZXTURKCOBGZ-LAUBAEHRSA-N 400.434 3.682 50 50 HHGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 1303148 ARYWFNLWUFWGPT-HYARGMPZSA-N 409.515 3.606 50 50 HHGA CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C 2581478 QOWGJTVNLZQJRY-SRZZPIQSSA-N 405.292 3.994 50 50 HHGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)[nH]n2)c1 5126098 NFCZZTHQYNXVRJ-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCc1ccccc1 6380904 CFXSQRGARWNRLP-NRFANRHFSA-N 402.454 3.914 50 50 HHGA O=C(CCl)N[C@@H]1CN(C(=O)C2(CCc3ccccc3)CC2)CC[C@@H]1C(F)(F)F 1875385778 BIYRQOWLOYQBDX-JKSUJKDBSA-N 416.871 3.534 50 50 HHGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC 823014 XUSIDXWGJKBKNQ-QVKFZJNVSA-N 402.450 3.912 50 50 HHGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cccnc1 1056606 YXEANZIQDKPPPO-HXUWFJFHSA-N 415.453 3.931 50 50 HHGA C[C@H](Cl)C(=O)N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1875363610 MICFPUHBSYKAFX-RYUDHWBXSA-N 416.831 3.588 50 50 HHGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1427505 BDYHPENHPZAGBN-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1oc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Br 1203349 COYIUJBWQJZQOA-REZTVBANSA-N 412.265 3.642 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 4302538 GTSXELRXASLEHH-MFKUBSTISA-N 401.466 3.971 50 50 HHGA N#Cc1cc(Oc2ccc(CC(=O)NNc3cccc(-c4cccnc4)n3)cc2)ccn1 1875351331 SCNBOQJAQKRPEB-UHFFFAOYSA-N 422.448 3.888 50 50 HHGA COc1ccc(/C=N/NC(=O)C2CC2)cc1COc1ccc(Br)cc1 696030 NSQLGZYQCSQDAD-SRZZPIQSSA-N 403.276 3.897 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 1080362 YJBMBEPQTUAMOP-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2543888 IWJLKLBXMZUKLZ-FOKLQQMPSA-N 408.285 3.662 50 50 HHGA CC[C@H](Br)C(=O)Nc1cccc(NC(=O)[C@H](Br)CC)c1 3122797 KRKGLRPMUPVJEA-TXEJJXNPSA-N 406.118 3.911 50 50 HHGA Cc1ccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@@H]3c3ccccc3)o2)cc1Cl 13154690 YGJVACXHSXLFJY-SYEBLPRFSA-N 421.884 3.888 50 50 HHGA Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc2ccccc21 4170202 RMOVRRIGZKNFAJ-NTCAYCPXSA-N 404.451 3.545 50 50 HHGA aggregator COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)[nH]n2)cc1OC 5350437 XJDBWYWEVOTUNE-BHGWPJFGSA-N 418.375 3.877 50 50 HHGA COc1ccc(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)cc1OC 17090139 HFMIREAFRMQXJZ-PGMHBOJBSA-N 414.886 3.545 50 50 HHGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 2529671 YXPVSBNIBLFAKI-VULFUBBASA-N 421.884 3.799 50 50 HHGA C=CC(=O)N1CCCc2cc(C(=O)NNc3cc(F)ccc3Br)ccc21 1875302650 AUIDVJPJNIFFHN-UHFFFAOYSA-N 418.266 3.810 50 50 HHGA CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 4730815 WWAKGOKYUDLVCC-KRWDZBQOSA-N 401.919 3.624 50 50 HHGA C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)C(C)(C)C 4997554 AYNPDBRKZAOAAU-OQKWZONESA-N 401.532 3.729 50 50 HHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nnc1-c1ccccc1 2340359 ZZQIGUQLTHWJPB-MEAVRSSMSA-N 421.526 3.881 50 50 HHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1OC 5349966 BOCVADXPASOCPW-ZMOGYAJESA-N 416.437 3.717 50 50 HHGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 9044009 OLDMNPUKIRWCJV-ZVHZXABRSA-N 414.469 3.652 50 50 HHGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(I)o1 100195028 HFVWSVXXKSFXOQ-WZUFQYTHSA-N 414.206 3.893 50 50 HHGA IP(I)I 257373192 PZHNNJXWQYFUTD-UHFFFAOYSA-N 411.686 3.518 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690862 FTIDNJZYUJSCTA-VGOFRKELSA-N 402.473 3.796 50 50 HHGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(O)c(O)c3)c1)C2 1213844 XGTWRMVTUSGRCM-BRJLIKDPSA-N 401.466 3.999 50 50 HHGA COc1cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(Br)c1O 4587389 YBHLUNQDNCILIP-UFFVCSGVSA-N 422.323 3.765 50 50 HHGA C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(OC(F)F)cc1 13960923 ZIFKFNRISKKHNK-OPEKNORGSA-N 413.428 3.910 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OCC)c3)[nH]n2)cc1 4678086 XKQUUOJUGSFPRC-OEAKJJBVSA-N 408.458 3.734 50 50 HHGA C[C@H](C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1F 1318711097 WFMIJZTYUYQBNN-ZDUSSCGKSA-N 400.381 3.702 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@H](c2ccccc2)CC(=O)C3)c(OC)c1 22590945 MNMKBUPRJQGFTD-PGRDOPGGSA-N 402.450 3.912 50 50 HHGA O=C(Cc1cccnc1)NNC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 1875265300 YDEIHBXEUKKQTR-UHFFFAOYSA-N 418.950 3.711 50 50 HHGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(Br)cc1 6392851 KNNXCZWXDQAGFP-UHFFFAOYSA-N 410.362 3.700 50 50 HHGA C/C(=N/NC(=O)c1cccc(C)c1O)c1cccc(NS(=O)(=O)c2ccccc2)c1 17093596 JXIYXJISVONJFB-KQWNVCNZSA-N 423.494 3.655 50 50 HHGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)O)N1 19337905 YSOFXYBTYMMOJJ-SFHVURJKSA-N 411.508 3.901 50 50 HHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 4282313 HMSCNQGRGSROPK-LFVJCYFKSA-N 403.438 3.966 50 50 HHGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1Cl 22924943 QSHSCOQCWOKFII-LFVJCYFKSA-N 419.356 3.651 50 50 HHGA Cn1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cn1 999377 CSOQIBIOFIDFJV-GOSISDBHSA-N 413.403 3.744 50 50 HHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4283033 OGARKUSILFPEGT-MFKUBSTISA-N 418.449 3.752 50 50 HHGA C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4366501 WJIZKZXUQCFOIX-GCMSVZMUSA-N 406.438 3.594 50 50 HHGA O=C(NNC(=O)c1ccc2ccccc2c1)N[C@@H]1c2ccccc2CC12CCOCC2 811860596 QIOZKDTWRZRHDU-JOCHJYFZSA-N 415.493 3.878 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(F)cc2Cl)o1 649229 ZIINJCDWYKWAAV-GOSISDBHSA-N 418.808 3.906 50 50 HHGA F[C@H](Br)c1nc([C@H](F)Br)nc([C@H](F)Br)n1 101539375 GRLJJIHVVOZKLC-ZPAAKOCQSA-N 413.817 3.961 50 50 HHGA COC(=O)c1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1OC 632713 AUCBNYMHAPPGJC-FQEVSTJZSA-N 410.470 3.618 50 50 HHGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OC 1144900 ULDXQCPULYWREZ-SFHVURJKSA-N 417.259 3.780 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 2506307 SJRIYQYFYXMSFW-CIAFOILYSA-N 419.275 3.795 50 50 HHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 4980263 FQNIBJSYUQPXSZ-YDZHTSKRSA-N 415.409 3.911 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC 5095400 RZXLYSIRQGXIIE-SFHVURJKSA-N 406.417 3.841 50 50 HHGA COc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)cc1OC 6187527 VOADUCNXWYAILJ-ZMOGYAJESA-N 408.502 3.659 50 50 HHGA O=C(N/N=C/c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521981 OGBHWUYVKHVFEU-HYARGMPZSA-N 413.886 3.905 50 50 HHGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229189 DYXCQCJCJQYBHB-WMJRALALSA-N 404.253 3.753 50 50 HHGA O=C(N/N=C\c1cc(Br)cs1)[C@@H]1COc2cc3ccccc3cc2O1 22065060 QLSOBSCREFZJJT-YKAVCUTLSA-N 417.284 3.954 50 50 HHGA O=C(O)[C@H](Br)[C@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 1739562 WRXYCMJAGVGLTO-JGVFFNPUSA-N 419.884 3.544 50 50 HHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1 5353460 GBODAOADSWNMHW-ZVHZXABRSA-N 414.469 3.652 50 50 HHGA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1ccccc1Cl 5577935 CFDBGMUXRUBMNM-ZHZULCJRSA-N 406.667 3.521 50 50 HHGA COC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 5042105 XZVXCPRQXYJEIT-MDWZMJQESA-N 412.243 3.941 50 50 HHGA O=C(CCl)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 3130829 KGDJIOKTGFLFIU-VIFPVBQESA-N 409.553 3.678 50 50 HHGA Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCSSCCC(=O)O 1875388495 DCUBMZRKGZEDII-UHFFFAOYSA-N 414.549 3.928 50 50 HHGA Cn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nc2ccccc21 946856 VIGWOCYMDOFACB-CAOOACKPSA-N 409.334 3.640 50 50 HHGA CCN(CC)C[C@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1 2919232 UYWFGOGKZMUZBS-JOCHJYFZSA-N 400.503 3.579 50 50 HHGA Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C)c1 2855707 HXVKVTWCVGMQTD-UHFFFAOYSA-N 404.466 3.576 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc2c(c1)OCO2 4282072 PZVRPMUHUCKKMA-WYMPLXKRSA-N 406.369 3.538 50 50 HHGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2snnc2C)c1 5796265 BEZKINHUCLWACE-WSDLNYQXSA-N 402.483 3.772 50 50 HHGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)ccc1O 15934413 DNZFMFXRNILABM-ZVHZXABRSA-N 404.422 3.692 50 50 HHGA O=C(NNC(=O)c1cccc2ncccc12)c1ccc(SCc2cccnc2)cc1 1875256437 WGBYDSZXPYJLMJ-UHFFFAOYSA-N 414.490 3.997 50 50 HHGA Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccccc1F)C(C#N)=C(N)O2 702293 XYIBQNCLJMBWNY-OAQYLSRUSA-N 401.441 3.757 50 50 HHGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 4259944 HTYBYFGBSZJHNK-AWQFTUOYSA-N 424.682 3.508 50 50 HHGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccc(F)c(Cl)c1 6829089 PYXHFTLAKDDRGY-UHFFFAOYSA-N 401.891 3.869 50 50 HHGA CCc1cc(C(=O)NNC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)cs1 17093683 KYKBAJJAFFKPEC-UHFFFAOYSA-N 423.585 3.669 50 50 HHGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 691463 DWGXOSNILUMTSH-FDDCHVKYSA-N 414.509 3.666 50 50 HHGA COc1ccc(/C=N/NC(=O)c2csc3ccccc23)cc1CN1CCOCC1 19832240 KNNYMKDPOHDRJE-YDZHTSKRSA-N 409.511 3.506 50 50 HHGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2506444 DILAZXCECIGIPW-FYJGNVAPSA-N 418.291 3.717 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(CSc2ccccn2)c1 850001 QASRPFBCMHEBTB-HXUWFJFHSA-N 423.494 3.637 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 4230075 WGKMQBIGLGOXDG-YDZHTSKRSA-N 407.357 3.717 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nnc1-c1ccccc1 4575322 DVKOZHVWWRTMGG-PXLXIMEGSA-N 409.515 3.606 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(F)cc3)c2)cc1 2543259 XBLJDZURQPDFAO-AFUMVMLFSA-N 422.412 3.583 50 50 HHGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1ccncc1)=C\c1ccccc1 5017868 RLNFIILAOMMZFX-JRSUSTEESA-N 410.477 3.949 50 50 HHGA O=C(CCCc1ccccc1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 220978540 DUGIEPJBBOVZPF-HKOYGPOVSA-N 422.506 3.927 50 50 HHGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)[nH]n1 5319092 WUKYFXSQACKAML-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1Cl 2901459 QIFNUHVMGALVSB-WYMPLXKRSA-N 409.829 3.727 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2Br)cc1 1213937 VQSOVXZNEBSGMF-FYJGNVAPSA-N 404.308 3.824 50 50 HHGA COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1OC 4209301 GEYOGQGPBJHHOC-ZVHZXABRSA-N 407.470 3.884 50 50 HHGA Cc1ccc(NC(=O)NNC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 5600489 LFDQPOQDKAOVJH-UHFFFAOYSA-N 418.900 3.852 50 50 HHGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 13424139 OGBRDIIUMGDXQD-CLFNKMITSA-N 421.291 3.514 50 50 HHGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC[C@@H]1CCCO1 2864682 UQVFSWMCQXXJRM-NRUITVPNSA-N 400.818 3.500 50 50 HHGA O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccc(F)c1 1229852 YCCVOBCCOJDJDO-CNHKJKLMSA-N 416.044 3.820 50 50 HHGA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Br)[C@H](Br)C(=O)O 1739555 WRXYCMJAGVGLTO-SFYZADRCSA-N 419.884 3.544 50 50 HHGA CC[C@H](Br)C(=O)Nc1ccccc1NC(=O)[C@H](Br)CC 3122805 CGTDBHSWOVDJFX-AOOOYVTPSA-N 406.118 3.911 50 50 HHGA CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1cccs1 1215422 PFSVZQBLBYDKLC-RXULLKCLSA-N 424.478 3.550 50 50 HHGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 17082782 LURPTZZGMPOHLZ-ZDUSSCGKSA-N 403.935 3.922 50 50 HHGA N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1cc(F)ccc1Br 673707 ODUNELJQOQZOGZ-HNNXBMFYSA-N 413.202 3.913 50 50 HHGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2553737 JRQUIPLPUOUDKR-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 2565250 LLNXFLJKGJYKGI-PCLIKHOPSA-N 401.466 3.917 50 50 HHGA COC(=O)c1cc(OC)cc(OC)c1[C@H]1C(C#N)=C(C)NC2=C1C(=O)CC(C)(C)C2 632369 MXIPDKGGIBZPFB-HXUWFJFHSA-N 410.470 3.618 50 50 HHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Br)cc1 5677166 CUUPJNOGCWCJOB-CYGNYLSHSA-N 418.291 3.737 50 50 HHGA O=C(N/N=C/c1cccs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521947 BHZLEZCYOPGUNL-UDWIEESQSA-N 419.915 3.966 50 50 HHGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2=O)cc1 1211039 JPIIUWCECIMCPQ-PGCIDKTFSA-N 406.269 3.505 50 50 HHGA COc1ccccc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 2862264 YZAJAJXCHXSGNT-UHFFFAOYSA-N 419.915 3.513 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 220980825 LBSHMYKIWBJGHX-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1OC 2566511 XLLHCUOBVIRWOW-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 5577602 KWDQVSJPTFKRAX-INIZCTEOSA-N 406.829 3.735 50 50 HHGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402355 AXTYZLVJPGDKSS-SFHVURJKSA-N 421.482 3.992 50 50 HHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2553284 FLFYMTFJFNZHGI-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA CC[C@H](Br)C(=O)Nc1ccccc1NC(=O)[C@@H](Br)CC 3122807 CGTDBHSWOVDJFX-UWVGGRQHSA-N 406.118 3.911 50 50 HHGA CC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)N1CC(=O)NN 835869 MHGOTNLNSZQIJI-QGZVFWFLSA-N 407.699 3.547 50 50 HHGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 691461 DWGXOSNILUMTSH-MBSDFSHPSA-N 414.509 3.666 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 102295017 LFUFPMJJEROLBY-KOEQRZSOSA-N 417.550 3.960 50 50 HHGA COc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 4231770 DYFNATMEPYENLF-HZHRSRAPSA-N 423.494 3.568 50 50 HHGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 19758067 LJZZQZDNHSHMTQ-PKOBYXMFSA-N 411.431 3.841 50 50 HHGA O=C(N/N=C\c1ccc(F)cc1)[C@@H](Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 32619734 NDORNCNJQGKTIO-YTLMXASBSA-N 408.389 3.743 50 50 HHGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1 1875384058 KTXJDGQZLYUZIL-CQSZACIVSA-N 400.906 3.703 50 50 HHGA O=C(Oc1ccccc1/C=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(Cl)cc1 4360252 CDSRXOMYDKVUNT-LSCMLXDISA-N 408.841 3.743 50 50 HHGA COc1ccc(COC(=O)N/N=C(\C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 100359841 SUKPTOOACCSSCY-MFKUBSTISA-N 413.518 3.772 50 50 HHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H](O)c1ccccc1 1208802 FACAUOCVQURXES-XQQQEEOESA-N 414.440 3.862 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2OC)cc1 4259448 RZGCNROMVNTUIY-LPYMAVHISA-N 410.451 3.748 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 5446259 NFYFRKYJMXTPBE-NRFANRHFSA-N 402.454 3.832 50 50 HHGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)cc1 13644305 LOWCBDFXNVNEQE-YDZHTSKRSA-N 408.458 3.645 50 50 HHGA CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N 229959171 MHTZLADISVCCNT-JSXNVLRUSA-N 411.509 3.683 50 50 HHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 4210062 IJCOPNDLLFQTKL-VULFUBBASA-N 421.884 3.799 50 50 HHGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(I)c1 712910 IPZDQWCCHSPUGY-VXLYETTFSA-N 403.223 3.845 50 50 HHGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 1120701 ZERJLLHWFLIRFT-LJQANCHMSA-N 406.829 3.781 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 857688 BLPFYCBNISIWEI-INIZCTEOSA-N 403.276 3.909 50 50 HHGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(O)cc1O 43761024 RYONLCDMDWPJPD-DHRITJCHSA-N 416.412 3.854 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1F 800555 HPANQNPEUKGAKK-HXUWFJFHSA-N 406.417 3.663 50 50 HHGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)c1 5297204 XZXWEJVPRGNCMK-ZMOGYAJESA-N 416.437 3.717 50 50 HHGA CC1(C)OB(c2cc([N+](=O)[O-])ccc2C(Br)Br)OC1(C)C 169955914 GWLMJCWSGOOACM-UHFFFAOYSA-N 420.894 3.682 50 50 HHGA COc1ccccc1[C@H](CNC(=O)[C@]1(C)CCCc2ccccc21)NC(=O)CCl 1875386451 QRGAFUOXJTZXNL-WMZHIEFXSA-N 414.933 3.502 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1COc1ccc(F)cc1 648866 VKKGNRKSGFEHDO-FQEVSTJZSA-N 406.417 3.663 50 50 HHGA CCOc1c(OC)cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 970292 YJJDQZIWEPHQRU-INIZCTEOSA-N 424.482 3.772 50 50 HHGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccoc2C)cc1 1002037 RARSAXMCAMXTDU-YDZHTSKRSA-N 406.398 3.903 50 50 HHGA O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5041182 YKCFAGVTOCRDKR-UHFFFAOYSA-N 406.467 3.822 50 50 HHGA COc1ccc(CCC(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)F)c2)cc1 17087643 OKXNUCWEXWMAQO-DHRITJCHSA-N 407.392 3.669 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cc(Br)cs1 1231683 ARBGKQWKFHYULV-ZDUSSCGKSA-N 400.257 3.570 50 50 HHGA C=CCOC(=O)[C@@H](Br)P(=O)(OCC(F)(F)F)OCC(F)(F)F 43199316 OUMCQVMZCABYDM-LURJTMIESA-N 423.040 3.788 50 50 HHGA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 100897731 ZPXGUQWLFREOMR-ZNZDAUKMSA-N 408.410 3.740 50 50 HHGA CCc1cc(C(=O)NNC(=S)Nc2sc(C)c(CC)c2C(=O)OC)cs1 17089014 AOWFNSFHUGEXJD-UHFFFAOYSA-N 411.574 3.661 50 50 HHGA CC(=O)OC[C@@H](Cl)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257358371 TVFCEEIAIYQYHI-AMLRTMSTSA-N 404.934 3.972 50 50 HHGA O=C(O)CCSSCCNC(=O)c1oc2ccccc2c1Br 1875388815 RJPHOIOVGUNJFS-UHFFFAOYSA-N 404.307 3.781 50 50 HHGA O=C(N/N=C/c1ccccc1C(=O)O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 946731 HJNZMYNXBFGWLF-DHRITJCHSA-N 410.433 3.791 50 50 HHGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1994714 XTEWMCLOILYQHF-CNHKJKLMSA-N 413.173 3.582 50 50 HHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(OC(=O)c2ccco2)c1 4101257 CJOQYRXJPFRDDA-LJQANCHMSA-N 404.422 3.950 50 50 HHGA O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)[C@@H]1COc2cc3ccccc3cc2O1 15974418 SRULHOCCOJPFSY-RWCRQZTBSA-N 402.406 3.524 50 50 HHGA C[C@@H](NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccccc1 2793933 YZXRVAIFDHELJM-LLVKDONJSA-N 415.412 3.793 50 50 HHGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1Br 752670 KZOZOFWXPYOKAR-VVVCHXIZSA-N 419.275 3.527 50 50 HHGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460209 HJNYISHBMIRWNI-OZAJXLCCSA-N 401.466 3.705 50 50 HHGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Br)cc1 2387538 LUSFLXJZIWBXGE-UFWORHAWSA-N 415.074 3.845 50 50 HHGA COc1ccccc1/N=C(/Nc1ccccc1OC)SCC(=O)/C(C#N)=C(/C)N 207328297 ISMAEDNJTNZXKS-PFONDFGASA-N 410.499 3.862 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c(OC)c1 1122388 CWWDGLTUBGWUEC-KRWDZBQOSA-N 408.483 3.990 50 50 HHGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c(Cl)nc2c1 2391611 HXVKSKWTRKPHFV-LSHDLFTRSA-N 401.253 3.939 50 50 HHGA CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 2835420 UINIAOMAPXCAKW-QGZVFWFLSA-N 421.522 3.968 50 50 HHGA COc1ccc(CCC(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 17087645 SAAGBJRHUBMQMQ-MXAYSNPKSA-N 407.392 3.669 50 50 HHGA CC/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(OC)cc1 17091300 NDPJFGVBMPIMJV-QCUKBLKESA-N 418.129 3.822 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)c(OC)c1 1122386 CWWDGLTUBGWUEC-QGZVFWFLSA-N 408.483 3.990 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 4229840 CSCIKLDMKRREMG-ZVHZXABRSA-N 407.470 3.884 50 50 HHGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4282888 UWIOHJLSTUDRRL-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cc(F)ccc2F)C(C#N)=C(N)O3)c1 4978895 LFMXLIOPGTYXBJ-KRWDZBQOSA-N 410.380 3.590 50 50 HHGA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 229959410 HHQFFIOFZPGAOG-METOXPJLSA-N 413.470 3.869 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)c1 2529674 ZEHKCHCIUZINHE-ZMOGYAJESA-N 402.406 3.707 50 50 HHGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC[C@H]1CCCO1 1196578 UQVFSWMCQXXJRM-XETPBLJFSA-N 400.818 3.500 50 50 HHGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC1(c1ccccc1)c1ccccc1 15636367 MREHTGWVNBTVTB-SFHVURJKSA-N 418.409 3.952 50 50 HHGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1 1427734 GGMQCONTTPKMTK-CQSZACIVSA-N 414.284 3.581 50 50 HHGA COc1cccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 4229818 FYTDLHQQBVNQHR-AFUMVMLFSA-N 421.428 3.502 50 50 HHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 12412712 RIUKTOZFLSXPIA-HXUWFJFHSA-N 424.453 3.857 50 50 HHGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)ccc2F)[C@@H]2CSCC=C12 39324998 BIVBZUJFVHJGQZ-GDBMZVCRSA-N 415.291 3.745 50 50 HHGA N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1022752 DRKZUBVMIILSQC-SFHVURJKSA-N 422.286 3.544 50 50 HHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 752626 MDZZKIXXNSOFSV-OYHNWAKOSA-N 402.450 3.912 50 50 HHGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(F)cc1 12566196 FYGDNHBICHJENA-CNHKJKLMSA-N 416.044 3.820 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O 13140528 GODAOLMKRNVIFM-KRWDZBQOSA-N 415.335 3.662 50 50 HHGA CCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 8425436 STZGSXKOCPMQFV-UHFFFAOYSA-N 401.507 3.629 50 50 HHGA COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c([N+](=O)[O-])cc1OC 100644677 BGPDOACMIROVLS-ACAGNQJTSA-N 403.398 3.621 50 50 HHGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(O)ccc43)c3c(C)c(C)cc1c32 1067586 OPNLAHGAPVZESK-VWLOTQADSA-N 413.477 3.924 50 50 HHGA COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)cc1 1186800 SFNRGBLSSABNRR-YBEGLDIGSA-N 414.303 3.747 50 50 HHGA COc1cc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc(OC)c1OC 5795838 ZKSJXQKWULXXRI-FOKLQQMPSA-N 413.861 3.986 50 50 HHGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(OCc2ccccc2)c1 4347471 SEAQRXRGXNJJBO-VULFUBBASA-N 421.884 3.799 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)s4)c32)ccc1O 1070345 ZYFFCVUIOISNSX-AWEZNQCLSA-N 400.847 3.724 50 50 HHGA COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3OC)[nH]n2)c(OC)c1 5402729 CUELFVOMWBHSLE-RROQIJDCSA-N 406.442 3.532 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc(C)c3)c2)cc1 4360270 FYOWKQYVBSDANZ-MFKUBSTISA-N 418.449 3.752 50 50 HHGA COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2OC)cc1 4167739 GHLWHKWTOHBBEA-NRFANRHFSA-N 418.453 3.533 50 50 HHGA O=C(Cc1cccs1)NNC(=S)Nc1ccc(Br)cc1Cl 1120376 LZDWLVRISHXWDN-UHFFFAOYSA-N 404.742 3.724 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc(OC)c1O 5126138 NAMRXFUAZVOLFQ-ZMOGYAJESA-N 416.437 3.717 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccncc1 1435067 IGUVASHHWQNFOR-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA Cc1[nH]nc2c1[C@H](c1cc(Cn3cnc4ccccc43)c(C)s1)C(C#N)=C(N)O2 4625996 AFWMHJATAAEKRN-IBGZPJMESA-N 402.483 3.704 50 50 HHGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(N(C)C)cc1 230141459 ACNOEZHDRMNWHO-SRZZPIQSSA-N 404.308 3.661 50 50 HHGA CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 1079326 ZMKFWZDIPREXFZ-INIZCTEOSA-N 411.502 3.635 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3OC)c2)cc1 4360135 KOPHUTNDISLOPC-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1cccs1 17091165 CNZZTNLTKWMCGV-UHFFFAOYSA-N 417.537 3.895 50 50 HHGA O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccccc1Cl 1214441 QLPNUTSFCBAWHV-LSCMLXDISA-N 408.841 3.743 50 50 HHGA O=C(N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1cccnc1 1216489 UCYHWSJJHKBGTI-FSJBWODESA-N 424.254 3.827 50 50 HHGA O=C(/C=C/c1ccc(Br)c(Cl)c1)NNc1nc(-c2ccncc2)no1 1875257432 RIDHBNUJZWHSNX-DUXPYHPUSA-N 420.654 3.704 50 50 HHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 4303006 SXEOXIIJUOPSIP-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385882 DOSLQJOTTZLBOE-DJJJIMSYSA-N 413.905 3.761 50 50 HHGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OC 1144898 ULDXQCPULYWREZ-GOSISDBHSA-N 417.259 3.780 50 50 HHGA COc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 27551856 JSRQZLGVKUULSM-HXOBKFHXSA-N 414.509 3.666 50 50 HHGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2571797 JTGZSIHRLBJPQG-UFWORHAWSA-N 415.074 3.845 50 50 HHGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)sc2c1CCCC2 4229864 HBVXMXSPEDRPSL-ZMOGYAJESA-N 402.479 3.741 50 50 HHGA CC1(C)OC[C@H]2OC=C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 169744757 LNJNLLJTWRZBMQ-ZLNRFVROSA-N 424.613 3.996 50 50 HHGA CCOc1cc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)ccc1O 2544170 HNHXBGHMUOWESO-LFVJCYFKSA-N 406.438 3.725 50 50 HHGA C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 13424137 OGBRDIIUMGDXQD-XVDJGBJWSA-N 421.291 3.514 50 50 HHGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1Br 752671 KZOZOFWXPYOKAR-HUTHGQBESA-N 419.275 3.527 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 5330135 XTUHPLJTENDZFX-OAQYLSRUSA-N 416.437 3.908 50 50 HHGA COC(=O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)OC)c2)ccc1[N+](=O)[O-] 34426734 CJDMZGFNKPIFNQ-UHFFFAOYSA-N 424.412 3.876 50 50 HHGA Cc1nn(-c2ccccc2)c2c1[C@H](c1c(Cl)cccc1[N+](=O)[O-])C(C#N)=C(N)O2 1111270 VUGNTQIOXCQVAV-QGZVFWFLSA-N 407.817 3.961 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1 102295098 XBYPOQWVTPORAC-LFVJCYFKSA-N 405.539 3.888 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@@H](c2ccccc2)CC(=O)C3)c(OC)c1 22590940 MNMKBUPRJQGFTD-GCJKJVERSA-N 402.450 3.912 50 50 HHGA CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 1080053 VYCOYLGBWAASHL-QGZVFWFLSA-N 402.589 3.999 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 4230004 WUEMIUPUUTYIBP-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA COc1cc(/C=N/NC(=O)c2csc(C)c2)ccc1OCCN1CCCCC1 2749225 YAQPXGGJVYDQEB-HYARGMPZSA-N 401.532 3.694 50 50 HHGA CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 2867182 NCSOFWXEHSHECG-CQSZACIVSA-N 404.894 3.767 50 50 HHGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc(Br)cc1 5403580 AUMAVSPWLBJZPY-CIAFOILYSA-N 417.332 3.968 50 50 HHGA Cc1cnccc1-c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)s1 1875264086 YCFCSEZOAOZMEK-UHFFFAOYSA-N 403.467 3.583 50 50 HHGA CCC(C(=O)N/N=C/c1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Cl)c1 39959621 OIZRFWIWLLHJFU-LCHFAGMQSA-N 405.285 3.620 50 50 HHGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520329 FYGAHVIQKIEEGS-ZVHZXABRSA-N 420.856 3.681 50 50 HHGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 2544080 CAYPXMBJGVMRDD-FOKLQQMPSA-N 408.285 3.662 50 50 HHGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402356 AXTYZLVJPGDKSS-GOSISDBHSA-N 421.482 3.992 50 50 HHGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 100713520 KXKRQSLFWLXJSI-OAQYLSRUSA-N 419.506 3.758 50 50 HHGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2F)C2=C1C(=O)CCC2 1422423 DPWZPCGYRTXPSN-DEOSSOPVSA-N 414.440 3.545 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1COc1ccc(F)cc1 4631411 VKKGNRKSGFEHDO-HXUWFJFHSA-N 406.417 3.663 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cnccn1 5900496 ASTLNKBHXNHQLG-FOKLQQMPSA-N 411.259 3.582 50 50 HHGA O=C(CCCCCCC(=O)N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2 245239596 KURBORKWOOLPAH-WEIXVSKXSA-N 410.562 3.955 50 50 HHGA CC(C)C[C@H](C(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O 6214232 WQTNSRUVWKXWKN-LJQANCHMSA-N 400.438 3.539 50 50 HHGA COC(=O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)oc1CO 169830622 WMNFJQJYJHMCPA-UHFFFAOYSA-N 424.569 3.635 50 50 HHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccccc1O 1798407 YKHOILKMXYNEAT-VXLYETTFSA-N 416.553 3.778 50 50 HHGA CCCCOc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OCC)cc1 5006167 BBBCRHHIXLRWJD-HZHRSRAPSA-N 400.475 3.802 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(C)cc1 2506351 YTSAPUIIERGGLE-ZVHZXABRSA-N 404.422 3.692 50 50 HHGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2553685 RYXZMKQQELLSGT-FBCYGCLPSA-N 415.620 3.644 50 50 HHGA COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc(OC)c1OC 1191659 JUTYLDSHZNPMIE-SSDVNMTOSA-N 402.516 3.713 50 50 HHGA CCCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 2858773 XDSOUNVPXIISNW-UHFFFAOYSA-N 401.410 3.673 50 50 HHGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)c(Cl)nc2c1 4282675 MVGOXGOKXHVMPG-LSHDLFTRSA-N 401.253 3.939 50 50 HHGA CCOC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc2c1CCCCCC2 5979996 PWFBBOJYSDYZSI-UHFFFAOYSA-N 421.544 3.808 50 50 HHGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(Cl)cc1 1226047 PBILKAQOJWBSJB-DJKKODMXSA-N 413.646 3.507 50 50 HHGA CCOc1ccc(CC(=O)NNC(=S)Nc2cc(C)ccc2C)cc1OCC 2794602 VLBWDGDVRSRRGF-UHFFFAOYSA-N 401.532 3.661 50 50 HHGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1O 1454930 GQMXPWCMZUYMRP-FBCYGCLPSA-N 418.074 3.991 50 50 HHGA O=C(CCn1c2ccccc2c2ccccc21)NNC(=S)NCc1ccccc1 5572115 XMDBFYDBWRZXQJ-UHFFFAOYSA-N 402.523 3.880 50 50 HHGA O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1211292 HDDMKDLZIBCOFL-WVISFHDSSA-N 420.694 3.606 50 50 HHGA Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1 803800 HAQBAPXAYZFIJL-IBGZPJMESA-N 418.478 3.957 50 50 HHGA Cc1ccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1 2794763 RBGIIOOOPZHBAU-UHFFFAOYSA-N 401.385 3.863 50 50 HHGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2506302 AKDIMZXAGZLPMV-YBFXNURJSA-N 404.220 3.686 50 50 HHGA O=C(O)CCSSCCNC(=O)c1c[nH]nc1-c1ccc(C(F)(F)F)cc1 1875388831 RVDBQHDEOLNDQS-UHFFFAOYSA-N 419.450 3.681 50 50 HHGA CCN(CC)C[C@@H](C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1 2919231 UYWFGOGKZMUZBS-QFIPXVFZSA-N 400.503 3.579 50 50 HHGA COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(F)(F)F)c1 12343174 ZYQJMOBJICZGJZ-BRJLIKDPSA-N 423.391 3.857 50 50 HHGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)c1 4282993 MDDMDUVYUFCXRT-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA CCCCOc1cccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)c1 6635739 WGBCLBYHQQSXDP-UHFFFAOYSA-N 408.527 3.819 50 50 HHGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460210 HJNYISHBMIRWNI-RZFZLAGVSA-N 401.466 3.705 50 50 HHGA O=C(CCl)N[C@@H]1CN(C(=O)C2(CCc3ccccc3)CC2)CC[C@H]1C(F)(F)F 1875385777 BIYRQOWLOYQBDX-HZPDHXFCSA-N 416.871 3.534 50 50 HHGA COc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1OC 1112414 SLPVCPWCTHGDRU-IBGZPJMESA-N 413.437 3.793 50 50 HHGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 1188130 DRYQCIJRGYWMNM-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc1OC 2531311 NUHLUOHYBHCXSW-BUVRLJJBSA-N 410.470 3.953 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc(Br)cs1 1231682 ARBGKQWKFHYULV-CYBMUJFWSA-N 400.257 3.570 50 50 HHGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1 2836104 DTAHUHYRLMXRBK-IKWXZYGUSA-N 401.422 3.646 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cnc3ccccc32)cs1 4622970 HQVRHOXNEXSORB-FQEVSTJZSA-N 402.479 3.961 50 50 HHGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 9108879 FQZUVAPPMIPMNK-GFCCVEGCSA-N 401.875 3.952 50 50 HHGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 4303012 ZPZURQJECWDCNN-PCLIKHOPSA-N 401.466 3.917 50 50 HHGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 8462208 WBHDNELTJZCXLI-GIJQJNRQSA-N 405.277 3.673 50 50 HHGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1 2530429 PSVIDMQVGYQFGY-CIAFOILYSA-N 419.275 3.795 50 50 HHGA CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231926 GVZLNRIHIQGHPJ-XQNSMLJCSA-N 423.494 3.650 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cnc3ccccc32)cs1 4622973 HQVRHOXNEXSORB-HXUWFJFHSA-N 402.479 3.961 50 50 HHGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccoc1C 6232914 DNSMIBGYLUEHPA-UHFFFAOYSA-N 415.496 3.735 50 50 HHGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 945676 WRQLHKWTVBYQEE-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccncc3)s2)cc1 2300742 DCEHWHCRWFVSOD-KEBDBYFISA-N 415.569 3.776 50 50 HHGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1 32606241 OLRZUTWLDIDIHV-WGARJPEWSA-N 405.429 3.916 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2F)C2=C1C[C@@H](c1ccccc1)CC2=O 1440701 QQWIJKVFUPJYSH-OPAMFIHVSA-N 402.473 3.796 50 50 HHGA O=C(CCCOc1ccc(Cl)cc1Cl)NNc1nc(-c2cccnc2)no1 728079498 WHHWOHSHARQNMW-UHFFFAOYSA-N 408.245 3.741 50 50 HHGA O=C(CC(c1ccccc1)c1ccccc1)NNC(=S)Nc1ccc2c(c1)OCO2 1120027 UQRBKFZGNCLCJH-UHFFFAOYSA-N 419.506 3.955 50 50 HHGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1232813 YADZRQPCXGPPSS-FMCGGJTJSA-N 417.377 3.714 50 50 HHGA CCc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2850867 CSWIREBUQCNUTK-UHFFFAOYSA-N 404.466 3.521 50 50 HHGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 5446260 NFYFRKYJMXTPBE-OAQYLSRUSA-N 402.454 3.832 50 50 HHGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccn3)s2)cc1 2321293 ICNONUPOSSHQDH-KEBDBYFISA-N 415.569 3.776 50 50 HHGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 17083142 ZLNRAHKSPLMJHH-ZMOGYAJESA-N 405.410 3.723 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(Br)ccc1F 714323 NCSZREZGYLDNFY-OAHLLOKOSA-N 413.202 3.913 50 50 HHGA CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NC3CCCCC3)=C2C#N)cc1 2836335 SOKGJEWHAZYTKJ-SFHVURJKSA-N 413.543 3.606 50 50 HHGA CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NC3CCCCC3)=C2C#N)cc1 2836334 SOKGJEWHAZYTKJ-GOSISDBHSA-N 413.543 3.606 50 50 HHGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccco1 5980032 QNCUQILLYRKEHJ-UHFFFAOYSA-N 415.496 3.816 50 50 HHGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1 1875384056 KTXJDGQZLYUZIL-AWEZNQCLSA-N 400.906 3.703 50 50 HHGA Cc1cc(C)c(OCC(=O)N/N=C/c2ccccc2I)c(C)c1 842143 YOSFXOGCLHNTBW-KEBDBYFISA-N 422.266 3.746 50 50 HHGA Cc1ccc(OCc2ccc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 32573555 XDDSZLGMUQQVBU-NHDPSOOVSA-N 424.369 3.747 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc(O)cc1 4978900 FEDIFEBZCNEZFZ-HNNXBMFYSA-N 409.243 3.763 50 50 HHGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1 2870612 DWDSWKXVWKURLH-UHFFFAOYSA-N 418.291 3.653 50 50 HHGA N#Cc1cc2c([n+]3c1S[C@@H]1CCC[C@@H](I)[C@H]13)C1CCN2CC1 253487141 FSHIZWXDNSZNAI-XNRPHZJLSA-N 424.331 3.546 50 50 HHGA O=C(CCl)NCCc1ccc(CNC(=O)c2cc(Cl)c(Cl)s2)cc1 1875385787 BKJXDWHTQVYHPI-UHFFFAOYSA-N 405.734 3.882 50 50 HHGA C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Cl)cc1 6013681 ZPRQMUFJQVWPLI-VOTSOKGWSA-N 406.685 3.880 50 50 HHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 4259333 WAQXZOFHQLWSTJ-MFKUBSTISA-N 415.449 3.611 50 50 HHGA CC(C)(C)[Si](O[C@H]1C[C@H]2C(=O)C[C@@H]3[C@H]2[C@H]1C[C@H]3O)(c1ccccc1)c1ccccc1 169833796 SKNAAGUCAHOXDL-LLGHXGDHSA-N 420.625 3.538 50 50 HHGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3O)[nH]n2)cc1 5609150 XEOLHAYICIYWON-BUVRLJJBSA-N 421.501 3.791 50 50 HHGA O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc(F)cc1 37867471 GMFNFCCFMJIGDB-UHFFFAOYSA-N 401.401 3.902 50 50 HHGA C[C@@H]1CCC[C@@H](C(C)(C)O)[C@@H]2CCO[Si](c3ccccc3)(c3ccccc3)O[C@@H]21 169833519 NBZMUASANRNDIA-OYYPCOLYSA-N 410.630 3.872 50 50 HHGA O=C(CCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1691882 VHFJBCKFUNLZLE-FWSOMWAYSA-N 405.285 3.764 50 50 HHGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4230031 UZMYZEMQGXLXIO-LSHDLFTRSA-N 401.253 3.939 50 50 HHGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CCCC3=O)s1 12401690 XWSIRSPWINPNLB-INIZCTEOSA-N 424.555 3.738 50 50 HHGA C/C(=N\NC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(C)s2)c1 13321342 PTOYJZGJTYETAS-YDZHTSKRSA-N 409.467 3.874 50 50 HHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2 945860 IFYKWZHZDHIOJY-AFUMVMLFSA-N 410.481 3.742 50 50 HHGA Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 16384063 KGOOIUJEKYTTSS-WQRHYEAKSA-N 422.466 3.714 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)CSc1cccc2cccnc12 252680103 VZNFZRGPLLYMBL-UHFFFAOYSA-N 417.494 3.677 50 50 HHGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1sc2ccccc2c1Cl 1216153 PECNDJMCQYDIMS-ZVBGSRNCSA-N 403.847 3.785 50 50 HHGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 5317524 HRVPQTNOVYJGGV-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA O=C(CCl)NCCN(Cc1cccc(Cl)c1)C(=O)c1nc2ccccc2s1 1875386017 HELOHFYQRIQFJN-UHFFFAOYSA-N 422.337 3.947 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1OC 2530407 LFQILGLDUXSDAU-AFUMVMLFSA-N 422.412 3.826 50 50 HHGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2568463 FEXVGRFTUOVRJV-UFWORHAWSA-N 415.074 3.845 50 50 HHGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 100733227 TWRQXOLTPFGNAA-PCLIKHOPSA-N 406.486 3.836 50 50 HHGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259024 IXSACEPDNXFCJK-SCELWYEFSA-N 418.449 3.735 50 50 HHGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1 713356 YTTLEKFATVHENA-NRFANRHFSA-N 416.437 3.908 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cn2cnc3ccccc32)c(C)s1 12372410 CNNJBBYZLNJBSO-HXUWFJFHSA-N 420.494 3.709 50 50 HHGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 986035 NMKZXTURKCOBGZ-UTKZUKDTSA-N 400.434 3.682 50 50 HHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(OC)cc1 2352264 ATFZWVYSGPKNKK-ZREQCHBWSA-N 421.526 3.881 50 50 HHGA N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nn(CCO)c(N)c1C#N 8895971 NTIAHYGBBUEKFC-KPKJPENVSA-N 414.252 3.960 50 50 HHGA COC(=O)[C@@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 220954576 YXNWIUCLISUPMD-PMACEKPBSA-N 406.507 3.709 50 50 HHGA C/C(=N/NC(=O)c1csc2c1CCCC2)c1ccc(NC(=O)c2ccnn2C)cc1 5826726 MLCHHSIPCYBDGY-QFEZKATASA-N 421.526 3.767 50 50 HHGA CCc1c(C(=O)NNC(=S)Nc2ccc3c(C)cc(=O)oc3c2)csc1C 1121682 LYRDSKKCDPTQDN-UHFFFAOYSA-N 401.513 3.665 50 50 HHGA Cc1ccc(-c2ccc(/C=N\NC(=O)[C@H]3C(=O)NC[C@H]3c3ccccc3)o2)cc1Cl 13602555 YGJVACXHSXLFJY-OMMQVZKQSA-N 421.884 3.888 50 50 HHGA Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 1229862 HIOJSJSLMAUXPV-UHFFFAOYSA-N 419.319 3.895 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccncc1 2388848 QSVGQUDTRBAKKI-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA O=C(CCl)Nc1c(Br)cc(Br)c(O)c1Br 2572945 RYPNFNRUEZUCFK-UHFFFAOYSA-N 422.298 3.857 50 50 HHGA CC(=O)OC[C@H](Cl)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 257358372 TVFCEEIAIYQYHI-CAKXQGDRSA-N 404.934 3.972 50 50 HHGA Cc1ccc(S(=O)(=O)SCCSS(=O)(=O)c2ccc(C)cc2)cc1 1841356 DUFUGAKEFZRFEQ-UHFFFAOYSA-N 402.584 3.847 50 50 HHGA in-vitro O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc2ccccc2n1 5522861 QKTVJFXMXNQILP-VYIQYICTSA-N 406.445 3.916 50 50 HHGA O=C(Cc1cccnc1)NNC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 789352881 RDRYISOJBQSSCH-UHFFFAOYSA-N 416.268 3.846 50 50 HHGA O=C(NNC(=O)c1cccc(C#Cc2ccccc2)c1)c1ccc(Br)cc1 1187899 JSHZISAKUGROFJ-UHFFFAOYSA-N 419.278 3.924 50 50 HHGA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1 1194657 OKUXHAAJYSEEPU-UHFFFAOYSA-N 405.907 3.582 50 50 HHGA O=C(O)CCSSCCNC(=O)c1csc(Br)c1Cl 1875388878 UFSBJCALTVVEGE-UHFFFAOYSA-N 404.760 3.750 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccncc1 731254 CGUWEZUWCAINIQ-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)c1 4624522 VPFDVMTXEOILLH-XMMPIXPASA-N 414.440 3.545 50 50 HHGA C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2cccnc2)cc1 8454259 HKXCUMPIFVCRGC-CVKSISIWSA-N 422.872 3.907 50 50 HHGA CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2c(Br)cnn2C)cc1 656109 VTYNESNGIBNVIO-CIAFOILYSA-N 412.291 3.714 50 50 HHGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 1189779 QNOXLZCKFCXNQW-OEAKJJBVSA-N 405.410 3.946 50 50 HHGA O=C(Cc1ccccc1)N/N=C/c1cc(O)c(Br)cc1Br 1229813 DAADXUDMLZSVJW-GIJQJNRQSA-N 412.081 3.610 50 50 HHGA N#CC1=C(N)Oc2nc(SCc3ccccc3)nc(N)c2[C@@H]1c1ccccc1F 1430783 WRFFHKCXXWPWSR-MRXNPFEDSA-N 405.458 3.708 50 50 HHGA C[C@H](NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl)c1ccccc1 6522129 IZMXNCURIFVYCF-LBPRGKRZSA-N 411.955 3.969 50 50 HHGA COc1cc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)ccc1OC(C)C 1829978 SOOPGKZYJKTRQV-ZVHZXABRSA-N 421.501 3.702 50 50 HHGA C[C@@H](NC(=S)NNC(=O)CSCc1ccc(F)cc1Cl)c1ccccc1 6525398 IZMXNCURIFVYCF-GFCCVEGCSA-N 411.955 3.969 50 50 HHGA O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@H]1COc2ccccc2O1 805631 BNSYUTTWEDMTQJ-DXPRYJPLSA-N 411.461 3.980 50 50 HHGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 3097436 ZQJCXEGGOSVAQP-OEAKJJBVSA-N 403.394 3.886 50 50 HHGA COc1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1 5060181 DRQVCBDHIVFVIS-ROUUACIJSA-N 411.502 3.958 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccccc1 2529680 NZSLBFMTMICHRQ-BUVRLJJBSA-N 404.422 3.774 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1 4230110 HGRDXGSXLZKUFM-YDZHTSKRSA-N 407.357 3.717 50 50 HHGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1I 1091036 IOVSQESDYBKCEO-RGVLZGJSSA-N 416.218 3.914 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 13615061 CAMZUROBYRRXFX-SSDVNMTOSA-N 414.849 3.520 50 50 HHGA CCNC(=S)NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12 2112450 HDMNTULUADPAQQ-UHFFFAOYSA-N 408.527 3.818 50 50 HHGA O=C(COc1ccc2ccccc2c1)N/N=C\c1cc(O)c(O)c(Br)c1 32565828 DWMRKCWNTNDNOQ-FBHDLOMBSA-N 415.243 3.543 50 50 HHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4210845 WFWBMOOFFIILHF-MFKUBSTISA-N 418.449 3.752 50 50 HHGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 5126066 CRSYRDCCVZOOAX-CIAFOILYSA-N 412.291 3.669 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1 676242 OBTNWXODKSJIBP-LSHDLFTRSA-N 406.866 3.512 50 50 HHGA COC(=O)c1ccc(Cl)cc1N(CCCl)S(=O)(=O)c1ccc(C)cc1 3106331 RZMCHHLEEGFZKJ-UHFFFAOYSA-N 402.299 3.869 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1 2530507 QFANJBATGGVLLC-BUVRLJJBSA-N 404.422 3.774 50 50 HHGA C[C@@H]1Cc2ccccc2N1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 9329768 PTUFGLBRNNRXGD-RHSMWYFYSA-N 421.497 3.875 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)ccc1O 867822 RLMULWXASVZHBL-ZVBGSRNCSA-N 405.241 3.862 50 50 HHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(OC(=O)c2ccco2)c1 4101258 CJOQYRXJPFRDDA-IBGZPJMESA-N 404.422 3.950 50 50 HHGA N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 100713523 KXKRQSLFWLXJSI-NRFANRHFSA-N 419.506 3.758 50 50 HHGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Br)cc1 2383756 LZIREUPZPIMYDA-ZVBGSRNCSA-N 414.181 3.557 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1 2532066 JKLGDIIXVJKZGL-MZJWZYIUSA-N 419.456 3.593 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC 4168824 IJYPBTSQPPCPAX-GOSISDBHSA-N 406.417 3.841 50 50 HHGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 12412710 RIUKTOZFLSXPIA-FQEVSTJZSA-N 424.453 3.857 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)c(Br)c1 714280 GZSOBANHMHELIL-HNNXBMFYSA-N 413.202 3.913 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 849987 PEGJPCRCZCLXNP-OAQYLSRUSA-N 402.454 3.725 50 50 HHGA Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)c1 3130821 ZQNAMDODJIZTAO-NSHDSACASA-N 403.162 3.641 50 50 HHGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 5059613 QKIZPPLQBQQVNM-KRWDZBQOSA-N 411.914 3.728 50 50 HHGA Cc1ccc(OCc2cccc(C(=O)NCCSSCCC(=O)O)c2)cn1 1875388814 RJHFLLMVKUDJAL-UHFFFAOYSA-N 406.529 3.555 50 50 HHGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C1(O)c2ccccc2-c2ccccc21 2747710 MQTZBTLOZHEUKP-JVWAILMASA-N 422.488 3.856 50 50 HHGA N#C/C(=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 4983596 FBKVCBYORQCGOW-WYMLVPIESA-N 406.492 3.799 50 50 HHGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)OCC)C(O)=N1 8971510 IHNADNXWVBEOFC-CVEARBPZSA-N 422.890 3.604 50 50 HHGA C[C@@H]1Cc2ccccc2N1C(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 9329766 PTUFGLBRNNRXGD-PBHICJAKSA-N 421.497 3.875 50 50 HHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 9110131 ZUDHMHBPZRJALB-LSHDLFTRSA-N 417.252 3.934 50 50 HHGA CC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 4647151 ONKNNTCCEXATDM-SFQUDFHCSA-N 412.265 3.728 50 50 HHGA COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(C)cc2C)cc1Br 1182412 JGSZYKBTXKDTGU-LSHDLFTRSA-N 420.307 3.645 50 50 HHGA CCCOC(O)=C1C=CC(=NC=C(C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 2082927016 OYDLRGUTIIAMAU-UHFFFAOYSA-N 400.456 3.597 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(C)cc2)c1 649228 HLDOLHGADDWOJP-JOCHJYFZSA-N 420.465 3.837 50 50 HHGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccccc1Br 4527912 OUWPWIQOJQLCPF-KOUDTOEKSA-N 418.291 3.737 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(Cl)cc1 2571678 GKWWHUMVLPFZBS-ZMOGYAJESA-N 409.829 3.727 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(OC)c3)c2)cc1 2543248 IZZVOEFVIUJJPW-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3ccc(-n4cccc4)cc3)ccc12 2853682 BXBLICBOHAMTKZ-UHFFFAOYSA-N 418.478 3.524 50 50 HHGA O=C(CCl)NC[C@H](NC(=O)c1cccc2c1OCC2)c1ccc2ccccc2c1 1875386829 ZUZRNALJDPOOGR-FQEVSTJZSA-N 408.885 3.601 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2542502 SIWJXLRYJTXAMR-OEAKJJBVSA-N 419.393 3.587 50 50 HHGA COc1ccc(O)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 1211257 SKIXMQOLWOFYCM-LSHDLFTRSA-N 419.268 3.716 50 50 HHGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 13424138 OGBRDIIUMGDXQD-MBLSOGTRSA-N 421.291 3.514 50 50 HHGA CC1(C)OB(c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2)OC1(C)C 1775954690 JXIYEYHDLHTCGJ-UHFFFAOYSA-N 404.255 3.625 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(CSc2ccccn2)c1 850000 QASRPFBCMHEBTB-FQEVSTJZSA-N 423.494 3.637 50 50 HHGA O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772625754 AUEGXEYFXNTTJQ-BAGYTPMASA-N 417.465 3.531 50 50 HHGA CC[C@@H](Br)C(=O)Nc1cccc(NC(=O)[C@H](Br)CC)c1 3122798 KRKGLRPMUPVJEA-VXGBXAGGSA-N 406.118 3.911 50 50 HHGA CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1cccs1 1215427 PFSVZQBLBYDKLC-BTVXTAIASA-N 424.478 3.550 50 50 HHGA CC(C)(C)OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 4899647 XGSZKZYRDFXIHX-OAHLLOKOSA-N 424.450 3.515 50 50 HHGA in-vitro CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(N)=O)N1 19791497 QQVFOHLJCYEOCP-KRWDZBQOSA-N 419.934 3.596 50 50 HHGA O=C(O)CCSSCCNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1875388847 SJNIIHMORMFSEZ-UHFFFAOYSA-N 418.751 3.998 50 50 HHGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 691465 DWGXOSNILUMTSH-JPYJTQIMSA-N 414.509 3.666 50 50 HHGA CCCOc1cccc(-c2cc(C(=O)NNC(=S)NCC)c3ccccc3n2)c1 8681015 YHHRQXSHKHJEAT-UHFFFAOYSA-N 408.527 3.819 50 50 HHGA Cc1oc2ccc(OCC(=O)N/N=C/c3cccc(O)c3)cc2c1C(=O)OC(C)C 1249250 VQDOCCPDEZZGGK-FOKLQQMPSA-N 410.426 3.541 50 50 HHGA O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(O)cc1 1798424 QOSOIJHXYSYELX-VXLYETTFSA-N 416.553 3.778 50 50 HHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccnc1 1208150 AXMHGQHORDUOKF-BUVRLJJBSA-N 414.494 3.572 50 50 HHGA COc1cc2c3c(c1)C(C(Br)Br)=CC(C)(C)N3C(=O)C2=O 1848442423 KCBUMSVPZDSOCD-UHFFFAOYSA-N 415.081 3.516 50 50 HHGA N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1 17090472 HQINSNIYLHNSOJ-VZUCSPMQSA-N 416.187 3.632 50 50 HHGA CCO[C@@H](CCl)/[S@@](=N/S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4566370 ZSZJCORZFYGDTR-PUAOIOHZSA-N 416.908 3.746 50 50 HHGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 12375324 CEGXVIHRPINAHB-IBGZPJMESA-N 417.450 3.833 50 50 HHGA Cc1noc(C)c1[C@H](C)C(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875385883 DOSLQJOTTZLBOE-ORAYPTAESA-N 413.905 3.761 50 50 HHGA CCOC(=O)N[C@H](C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3124298 HCYMYNFYSGDIGL-QFIPXVFZSA-N 407.406 3.956 50 50 HHGA CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@H](O)CCl)cc1 2386877 PTCFDJRJOGPUFE-QZTJIDSGSA-N 413.341 3.970 50 50 HHGA biogenic,in-vitro O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccccc1 4365916 PPCMCIJOEKZBOM-OEAKJJBVSA-N 405.410 3.703 50 50 HHGA O=C(CSCc1ccc(Cl)cc1Cl)NNc1nc(-c2ccncc2)no1 728072014 NEGUGZBVXDKFAB-UHFFFAOYSA-N 410.286 3.815 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 849986 PEGJPCRCZCLXNP-NRFANRHFSA-N 402.454 3.725 50 50 HHGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4355463 LFPXUOOQUFSOIO-PCLIKHOPSA-N 417.465 3.753 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)c1 2542981 BZJHJOIADCZATP-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100647394 AEQQLKWIJLUBMW-LPYMAVHISA-N 410.902 3.955 50 50 HHGA C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4366504 WJIZKZXUQCFOIX-HUSFYUSLSA-N 406.438 3.594 50 50 HHGA O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)c1ccccc1 2897337 XILWUYGSNKEPQZ-UHFFFAOYSA-O 413.284 3.928 50 50 HHGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccc3c(c2)CCC3)o1 8456155 KECLCPYFZQPJQX-FMCGGJTJSA-N 421.409 3.725 50 50 HHGA Cc1cc(C)c(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@@H]2C(N)=O)cc1C 20388825 XKNQROQLRABAHJ-LJQANCHMSA-N 424.570 3.686 50 50 HHGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1O 946276 CCJBLPNMTVQRCK-DHRITJCHSA-N 412.449 3.807 50 50 HHGA O=C(N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(O)cc(O)c1 13321913 BEXFWLZEUUNBTI-AFUMVMLFSA-N 412.449 3.774 50 50 HHGA O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1cccnc1 1251422 GXRGDZVETYJFIR-ZVHZXABRSA-N 401.495 3.722 50 50 HHGA O=C(CCl)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3130825 ZWNROSBTVJZPJL-VIFPVBQESA-N 409.553 3.678 50 50 HHGA Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 1230015 UILHKVIPMNCJMV-UHFFFAOYSA-N 419.319 3.895 50 50 HHGA COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1CN1CCSCC1 695985 WVOWROCOAYOZCN-OEAKJJBVSA-N 417.962 3.590 50 50 HHGA CN(C)c1ccc(P(=O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 33353171 WJWYOXIYLBXRKS-UHFFFAOYSA-N 407.498 3.524 50 50 HHGA COC(=O)c1cc(OC)cc(OC)c1[C@@H]1C(C#N)=C(C)NC2=C1C(=O)CC(C)(C)C2 632365 MXIPDKGGIBZPFB-FQEVSTJZSA-N 410.470 3.618 50 50 HHGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2 17093681 JVYSBJSDMPOBNI-VIFPVBQESA-N 423.585 3.661 50 50 HHGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)n[nH]1 1208126 POVQRMRLQXOVJY-HYARGMPZSA-N 400.398 3.540 50 50 HHGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccnc3)s2)cc1 2349473 DLPWSGKKWWVXNA-KEBDBYFISA-N 415.569 3.776 50 50 HHGA O=C(COc1ccc(Cl)cc1)NNC(=O)Nc1cccc(Oc2ccncc2)c1 756547402 CFUMXCURFRIDRX-UHFFFAOYSA-N 412.833 3.759 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2Cl)n[nH]1 867754 HJXWADUECWJLTK-AWQFTUOYSA-N 419.666 3.962 50 50 HHGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 9110002 FQZUVAPPMIPMNK-LBPRGKRZSA-N 401.875 3.952 50 50 HHGA COc1cccc(/C=N/NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1O 999851 CGTHGZMMUARCBU-UFWORHAWSA-N 405.819 3.941 50 50 HHGA O=C(COc1ccccc1Br)N/N=C/c1cccc(Br)c1 1187678 VTQWTRQMZOPJBP-GIJQJNRQSA-N 412.081 3.741 50 50 HHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 5408149 RSSXDRFOLCEQQP-PKOBYXMFSA-N 411.431 3.839 50 50 HHGA CCOc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 17087647 LDNTVWJBAXNNLR-MXAYSNPKSA-N 407.392 3.669 50 50 HHGA CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)OC(CCl)CCl)cc1 245245152 AOFIFAFZYGLVDH-DSIZOQBWSA-N 412.313 3.852 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(C(F)(F)F)c4)[C@@H]3[C@H]1CC2 245253997 XUFJORXVCDBGLG-DQEVTTJGSA-N 409.415 3.592 50 50 HHGA CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 19800398 AAIJCFQQRWBAFC-WXYKTORPSA-N 409.471 3.872 50 50 HHGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(COCC(F)(F)C(F)F)cc1 662847 YNGFFORGKDCQAG-NUGSKGIGSA-N 413.327 3.776 50 50 HHGA Cc1ccc([C@]2(O)NC(S)=C(C#N)[C@H](c3ccc(F)cc3)[C@H]2[n+]2ccccc2)cc1 19805112 QSVFLFXYXNCOOC-WMTXJRDZSA-O 418.517 3.860 50 50 HHGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@H]1c1ccc(Cl)cc1 2848284 ZGHDPNVBUBZZKD-LBPRGKRZSA-N 404.904 3.507 50 50 HHGA COc1cccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3Cl)o2)c1 17090414 VGGAJWOZYFSIAB-UHFFFAOYSA-N 415.833 3.987 50 50 HHGA Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c1 1055682 DOOQICSIMCZNJU-AFUMVMLFSA-N 406.413 3.882 50 50 HHGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)[nH]n1 5319291 SQABCAQBARJBKM-OEAKJJBVSA-N 408.458 3.647 50 50 HHGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccn3C)nc3ccccc32)cc1 13598324 DSSUVKWMVMOUDN-ZVHZXABRSA-N 417.538 3.974 50 50 HHGA COc1ccccc1NC(=O)NNC(=O)c1ccc(COc2ccccc2Cl)o1 17090415 NOYWOCNBFJBHOL-UHFFFAOYSA-N 415.833 3.987 50 50 HHGA C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 100538483 NYBGDFJHZOTLPN-FOKLQQMPSA-N 408.336 3.748 50 50 HHGA COC1=CC(=O)C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=CC1=O 101019585 DZMSBLAZBXWOKX-UHFFFAOYSA-N 413.433 3.589 50 50 HHGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1 4820028 FANZAWYCXZNMBN-QGZVFWFLSA-N 405.845 3.907 50 50 HHGA Cc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)[nH]n1 5029589 QECJHSQWCZETQG-NHDPSOOVSA-N 413.275 3.824 50 50 HHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2OCc2ccccc2)[C@@]2(CCO2)[C@H]1O3 257357931 QUWIEIIQHGMURK-ZMARIXAFSA-N 420.578 3.601 50 50 HHGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1cccc(Cl)c1Cl 2521933 NDGLLQOKMXQXAK-UFWORHAWSA-N 415.074 3.845 50 50 HHGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1sc2ccccc2c1Cl 4229816 YFCICRWDAQCJSA-FOKLQQMPSA-N 415.902 3.834 50 50 HHGA O=C(Cc1cccs1)NNC(=O)c1cccc(COc2ccc(Cl)cc2)c1 655052 NMBGPUDENKCEAK-UHFFFAOYSA-N 400.887 3.984 50 50 HHGA COc1cccc(/C=N/NC(=O)CSCc2ccccc2Br)c1O 1173808 CGJIVLGOPQZRIR-DJKKODMXSA-N 409.305 3.547 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1 4355540 LJCLWUURLHCYRR-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 6480625 DEEGSPOPQYWSNI-WJDWOHSUSA-N 418.409 3.926 50 50 HHGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(O)ccc43)c3c(C)c(C)cc1c32 1067584 OPNLAHGAPVZESK-RUZDIDTESA-N 413.477 3.924 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 1144001 ZIIFJDOTZSVJOV-OAQYLSRUSA-N 417.421 3.989 50 50 HHGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3C)cc2)cc1 2542700 NQUMXLBDBWWAKF-JFLMPSFJSA-N 415.493 3.763 50 50 HHGA C=C[Si](C)(C)O[Si](O[SiH2]C=C(C)C)(O[Si](C)(C)C=C)c1ccccc1 201186657 HJOIEUCLQITTAQ-UHFFFAOYSA-N 408.795 3.750 50 50 HHGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 5611695 COZCSQIPKJZOQN-ZVHZXABRSA-N 406.486 3.713 50 50 HHGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)cc1 17088209 BMTGMPYPLCKBPF-GFCCVEGCSA-N 409.364 3.528 50 50 HHGA O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 1479197480 DUHSMQNKVARELD-DLBZAZTESA-N 414.387 3.754 50 50 HHGA COC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 841831 ZLDUTFBPQARUSQ-GOSISDBHSA-N 408.479 3.510 50 50 HHGA O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)n[nH]3)o2)c1 1205726 CWWWTTJUBCSOQJ-YDZHTSKRSA-N 400.394 3.799 50 50 HHGA C[C@H](Nc1nc2ccccc2s1)C(=O)N/N=C/c1cc(Br)ccc1O 19912322 XLALXHVOKZQBIC-XPAGJJBOSA-N 419.304 3.715 50 50 HHGA CC(=O)c1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2Cl)cc1 2858296 VVLYPAKHEWKZBW-UHFFFAOYSA-N 410.655 3.772 50 50 HHGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NCc2ccc(Cl)cc2)c1 2855662 NZBZQUCLCNTGRC-UHFFFAOYSA-N 405.951 3.846 50 50 HHGA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 239025607 BWQWNKSGRBXXRM-ZNOIYHFQSA-N 408.410 3.740 50 50 HHGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 752623 MDZZKIXXNSOFSV-QRQCRPRQSA-N 402.450 3.912 50 50 HHGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccc(Cl)c1)S(=O)(=O)CC2 1429895 ZSAHNGUMVCFGAC-GOSISDBHSA-N 415.877 3.807 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1OC 1457931 MSZYSDJPNREBAC-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA O=C(NNC(=O)c1ccc2ccccc2c1)N[C@H]1c2ccccc2CC12CCOCC2 811860597 QIOZKDTWRZRHDU-QFIPXVFZSA-N 415.493 3.878 50 50 HHGA Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nc2ccccc21 946847 QVDOFGBVZSXBKE-AWQFTUOYSA-N 421.295 3.717 50 50 HHGA CCCOc1cccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)c1 6399802 PTCMDKUQUOONFP-ZVHZXABRSA-N 408.458 3.647 50 50 HHGA O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1ccccn1 1215573 ADVSKOVULXLSPI-RGVLZGJSSA-N 417.206 3.710 50 50 HHGA Cc1cc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Cl 2551730 PMRFTNVQZBWPMQ-UHFFFAOYSA-N 424.884 3.921 50 50 HHGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2892286 ZQFSZCNKPLIYCP-ZVBGSRNCSA-N 414.181 3.557 50 50 HHGA CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1cc(C(C)C)ccc1C 822496 ASLIVPYHPUSMRU-ZMOGYAJESA-N 412.486 3.589 50 50 HHGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc(Cl)ccc1O 3136533 OFEAMPJTQOIDJQ-DNTJNYDQSA-N 411.683 3.954 50 50 HHGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2 17093682 JVYSBJSDMPOBNI-SECBINFHSA-N 423.585 3.661 50 50 HHGA COc1ccc(/C(C)=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1OC 1211261 UQMQGLNLUATJPU-UTKDAVAPSA-N 406.438 3.537 50 50 HHGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 57585932 SVHGYAKKPSYFMZ-BUVRLJJBSA-N 404.422 3.687 50 50 HHGA O=C(Cc1csc(-c2cccc(Cl)c2)n1)NNc1nc(-c2ccncc2)no1 1875257433 RVFTXMBMVNELAD-UHFFFAOYSA-N 412.862 3.594 50 50 HHGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5126158 LASJNALMRRKSKO-DHRITJCHSA-N 410.433 3.791 50 50 HHGA CCO[C@H](CCl)[S@@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 3123914 ZSZJCORZFYGDTR-IVCQMTBJSA-N 416.908 3.746 50 50 HHGA O=C1NC(c2ccccc2)=N[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011748 TUTBRMSOJIEAGF-MHZLTWQESA-O 421.460 3.883 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 4372669 VNACDDNIWXEGEA-OEAKJJBVSA-N 419.393 3.587 50 50 HHGA O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1c(F)ccc(F)c1F 170598645 DWLQHVBTRHYRCD-UHFFFAOYSA-N 400.356 3.611 50 50 HHGA Cc1ccc2c3c1[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 809859 OMOPLUHUKHTSKG-RZFZLAGVSA-N 401.466 3.705 50 50 HHGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1I 1231074 VEZKVQVRISPWPK-QGMBQPNBSA-N 402.594 3.848 50 50 HHGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc(OC)c1OC 1813888 RIUVEXOGFQAWTD-SSDVNMTOSA-N 414.849 3.520 50 50 HHGA CC(C)(C)[Si](C)(C)OCC1CCC(OC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 242273469 YCXLVMDQHAYMSN-CGZBRXJRSA-N 404.645 3.935 50 50 HHGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccccc1Cl 1214439 QLPNUTSFCBAWHV-PGLVWIQMSA-N 408.841 3.743 50 50 HHGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)s1 9177636 PRMJANOAVMTQBK-QGMBQPNBSA-N 405.277 3.679 50 50 HHGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772632711 XBNRHHBLKMJXND-RFUDCGQUSA-N 415.493 3.666 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 3181014 WNTRJTISAOWZOE-OEAKJJBVSA-N 405.410 3.946 50 50 HHGA Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)cc1 4624528 UPKHYMLGAULQCR-DEOSSOPVSA-N 414.440 3.545 50 50 HHGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1Br 1231678 JTGXEQQMHRHOAP-MRXNPFEDSA-N 424.254 3.517 50 50 HHGA CCn1c(SCC(=O)N/N=C/c2ccc(C)s2)nnc1-c1ccc(OC)cc1 864074 POAPYLOPHFJVSE-RGVLZGJSSA-N 415.544 3.586 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1c(F)cccc1Cl 1097780 GVOZVGNRSBXGCI-AWEZNQCLSA-N 411.780 3.996 50 50 HHGA CCO[P@@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N1CCOCC1 100250386 RKLAZMPDGTVLRF-QGEMAQJBSA-N 424.437 3.947 50 50 HHGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(-c2ccccc2)cc1 19834197 CRWQGRVERBGPBX-ZXVVBBHZSA-N 412.537 3.622 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2F)C2=C1C[C@H](c1ccccc1)CC2=O 1440698 QQWIJKVFUPJYSH-AOMKIAJQSA-N 402.473 3.796 50 50 HHGA CN(Cc1ccccc1)Cc1cccc(C(=O)NCCSSCCC(=O)O)c1 1875388646 KALBWPBFZRWIQL-UHFFFAOYSA-N 418.584 3.905 50 50 HHGA C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1 13424136 OGBRDIIUMGDXQD-LLOPKGDWSA-N 421.291 3.514 50 50 HHGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccccc1O 13646379 QHDMLRGMOMAWGP-ZVHZXABRSA-N 414.469 3.739 50 50 HHGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2cc(O)ccc21 1460212 HJNYISHBMIRWNI-RKNYENMMSA-N 401.466 3.705 50 50 HHGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)C1c2ccccc2Oc2ccccc21 2853507 ILAIUBBJQJLCGL-UHFFFAOYSA-N 420.450 3.850 50 50 HHGA COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1 5060186 DRQVCBDHIVFVIS-ZWKOTPCHSA-N 411.502 3.958 50 50 HHGA CCNC(=S)NNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccc(C)cc12 6655178 DITFVXPJEXVTTQ-UHFFFAOYSA-N 408.527 3.738 50 50 HHGA CC(=O)N/C(S)=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101133513 RACTUKWGMBLPLB-GHVJWSGMSA-O 403.467 3.739 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccc(C(F)(F)F)c4)[C@@H]3[C@H]1CC2 245254033 XUFJORXVCDBGLG-OAOYMFHYSA-N 409.415 3.592 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccccn1 1212757 IEYCMUXYTZTJIT-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1cccnc1 731179 AJYPYUCUGUYMGW-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1cccnc1 1056602 YXEANZIQDKPPPO-FQEVSTJZSA-N 415.453 3.931 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1c(F)cccc1Cl 5062153 IMCJJGORBPWLGC-OAHLLOKOSA-N 410.792 3.816 50 50 HHGA C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(Br)cc1 12342865 AUMAVSPWLBJZPY-MTJSOVHGSA-N 417.332 3.968 50 50 HHGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NCc1ccc(F)cc1 2857772 LCSFKGZJGZAJSZ-UHFFFAOYSA-N 409.486 3.567 50 50 HHGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1 17093036 NHJKATMMZGWJBA-GXDHUFHOSA-N 422.466 3.869 50 50 HHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2391500 WIOVHUIDPDRTIW-MFKUBSTISA-N 418.449 3.752 50 50 HHGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1 2544088 VNDHVZOFZLUITF-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA CCCCSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@@H](C(=O)OCC)C(=O)N1 17015105 SVZUZLYWASNZSB-QZTJIDSGSA-N 402.516 3.746 50 50 HHGA O=C(NNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 728305977 ZBKPGWVTJNAXAN-IBGZPJMESA-N 403.438 3.760 50 50 HHGA C[C@H](Cl)C(=O)N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 1875363609 MICFPUHBSYKAFX-NWDGAFQWSA-N 416.831 3.588 50 50 HHGA N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1cc(F)ccc1Br 673704 ODUNELJQOQZOGZ-OAHLLOKOSA-N 413.202 3.913 50 50 HHGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)s2)n[nH]1 8836917 JZUFGPVRTSTOLE-CAOOACKPSA-N 420.248 3.573 50 50 HHGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 25504665 GFSHLOGYKHXUOJ-ZVHZXABRSA-N 420.856 3.681 50 50 HHGA CCCCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 78506469 GTSNOMYUUGCZJN-UHFFFAOYSA-N 419.522 3.782 50 50 HHGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(C)cc2)c1 649226 HLDOLHGADDWOJP-QFIPXVFZSA-N 420.465 3.837 50 50 HHGA Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 1306844 RCFZTMIWGMCSEB-OEAKJJBVSA-N 403.511 3.666 50 50 HHGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)ccc3OC)c21 5574490 PZTCEYOKQWYLAP-LJQANCHMSA-N 418.453 3.711 50 50 HHGA CNC(=S)NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 6734722 MCZARCOGWDDTPF-UHFFFAOYSA-N 405.310 3.947 50 50 HHGA CC(=O)N1CCN(Cc2cccc(NCc3ccc(OCCCCl)cc3)c2)CC1 328593914 YRRLAPGPOHZZHW-UHFFFAOYSA-N 415.965 3.971 50 50 HHGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OC 1147859 BCRZIMJRBPUSJG-QGZVFWFLSA-N 417.259 3.780 50 50 HHGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1c[nH]c2ccccc12 4229894 KKBFLVWVQNXNHM-YSURURNPSA-N 410.886 3.916 50 50 HHGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccc(Br)c1 1197766 XVCVANBNDHDOJS-GIJQJNRQSA-N 412.081 3.741 50 50 HHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 4372564 JUWMNBTVWGDOSD-MFKUBSTISA-N 420.465 3.812 50 50 HHGA Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)NCCc2c(F)cccc2F)cc1 918228771 QXVZVPRVIMILOT-UHFFFAOYSA-N 412.440 3.559 50 50 HHGA O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cc(-c2ccco2)[nH]n1 912988123 BZJIEZYMZWZNHR-UHFFFAOYSA-N 413.393 3.553 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@]12C(=O)Nc1ccccc12 2340154 RIVYQOGNERCRDS-JCQPUDPBSA-N 417.852 3.655 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 4261268 GTPAAPOINSJSOZ-ZVHZXABRSA-N 421.840 3.648 50 50 HHGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCC)c3O)[nH]n2)cc1 4746367 AZFUSHTVJMBQFD-OEAKJJBVSA-N 408.458 3.734 50 50 HHGA CN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N 229959182 MHTZLADISVCCNT-LROSEOONSA-N 411.509 3.683 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(Br)cs1 705844 SSEQNLZUSBYXCD-CYBMUJFWSA-N 401.241 3.835 50 50 HHGA O=C(CSCc1ccccc1Br)N/N=C/c1ccc2c(c1)OCO2 1233521 VWZDXBGOUNUKKC-UFWORHAWSA-N 407.289 3.561 50 50 HHGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1 2521924 CEJWYCCGMLSSRL-UFWORHAWSA-N 415.074 3.845 50 50 HHGA CC(C)C[C@@H](C(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O 6214110 WQTNSRUVWKXWKN-IBGZPJMESA-N 400.438 3.539 50 50 HHGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4327161 PXEZAUZARJFGJE-WGOQTCKBSA-N 423.476 3.937 50 50 HHGA O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1COc2ccccc2O1 805633 BNSYUTTWEDMTQJ-PODSUIKTSA-N 411.461 3.980 50 50 HHGA Cc1ccc(-c2cc(C(=O)NNC(=S)Nc3ccc(F)c(Cl)c3)n[nH]2)cc1 8306588 SIKYPHBINSDWKN-UHFFFAOYSA-N 403.870 3.809 50 50 HHGA C/C(=N/NC(=O)c1csc2c1CCCC2)c1cccc(NC(=O)c2ccnn2C)c1 1005711 PLYKFNGDMMNMBK-QFEZKATASA-N 421.526 3.767 50 50 HHGA C/C(=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc([N+](=O)[O-])cc1 5125778 UHPJMVBHMYSXCP-YDZHTSKRSA-N 407.474 3.940 50 50 HHGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 2518588 ZTIFKIPOEYLHSS-MFKUBSTISA-N 417.465 3.671 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC 4168823 IJYPBTSQPPCPAX-SFHVURJKSA-N 406.417 3.841 50 50 HHGA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 239439229 ZPXGUQWLFREOMR-VMDGZTHMSA-N 408.410 3.740 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 4366588 CGTRRKXWERUTJB-XDHOZWIPSA-N 406.223 3.620 50 50 HHGA O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 104193674 YBEJKUIVCWDKHR-UHFFFAOYSA-O 424.460 3.937 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2)cc1 2542442 OZKNRTRVLVPRSH-PCLIKHOPSA-N 418.449 3.834 50 50 HHGA COc1ccc(Cl)cc1NC(=S)NNC(=O)CSCc1ccc(C)cc1 6788273 NBRPYYOZPGFZAO-UHFFFAOYSA-N 409.964 3.908 50 50 HHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cn2cnc3ccccc32)cs1 12412726 MEWZEUVUVJGWRB-HXUWFJFHSA-N 420.494 3.791 50 50 HHGA F[C@@H](Br)c1nc([C@@H](F)Br)nc([C@H](F)Br)n1 100043384 GRLJJIHVVOZKLC-RBVZJJKUSA-N 413.817 3.961 50 50 HHGA O=C(N/N=C/c1cc(Br)ccc1F)c1n[nH]c2c1CCc1ccccc1-2 946735 NWOJMBCJXPANOQ-LSHDLFTRSA-N 413.250 3.841 50 50 HHGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 4231391 FSASZOVOSOBQLP-YZSQISJMSA-N 424.545 3.592 50 50 HHGA C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)COc1cc(C)cc(C)c1 5048781 MCCXNCNBUPHTES-WGOQTCKBSA-N 411.546 3.505 50 50 HHGA CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCC)cc2)sc(C(C)=O)c1C 945260 FEOHAGRWTLYIKC-SRZZPIQSSA-N 417.487 3.990 50 50 HHGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1O 102266666 FEZLWDBYVMKECH-LFVJCYFKSA-N 405.539 3.888 50 50 HHGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 752625 MDZZKIXXNSOFSV-NYHFZMIOSA-N 402.450 3.912 50 50 HHGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 15745684 CDNPBVOBAJVLDG-GHXNOFRVSA-N 402.204 3.912 50 50 HHGA COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)o2)cc1Cl 1226711 DYWCHJYHKHJTKH-BLXMRYOQSA-N 412.829 3.899 50 50 HHGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 2391618 VTEQQYJKFOQJNT-MFKUBSTISA-N 415.449 3.611 50 50 HHGA COc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 27551852 JSRQZLGVKUULSM-SBUREZEXSA-N 414.509 3.666 50 50 HHGA C=CC(=O)N(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1 1875373626 INPSTBZBBINOCY-UHFFFAOYSA-N 407.257 3.609 50 50 HHGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccccc3C)c2)cc1 2543198 UDGAKUTVNDDGLQ-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1cc(C)c(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@H]2C(N)=O)cc1C 20388832 XKNQROQLRABAHJ-IBGZPJMESA-N 424.570 3.686 50 50 HHGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520303 YTPPMJMEDKFCFJ-ZVHZXABRSA-N 420.856 3.681 50 50 HHGA COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C1C#N 1253475 AUYLATKXLGTNBK-MRXNPFEDSA-N 411.458 3.545 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2ccc(C)s2)sc2c1CC[C@@H](C)C2 17093690 VTGLVGBPHGGLQX-SECBINFHSA-N 423.585 3.661 50 50 HHGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 17180788 RKJZWHLEOFDDCD-VXLYETTFSA-N 414.219 3.511 50 50 HHGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c1 691468 DWGXOSNILUMTSH-WZONZLPQSA-N 414.509 3.666 50 50 HHGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4209890 CFNVDIOGKCDSIW-MFKUBSTISA-N 418.449 3.752 50 50 HHGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)c(Cl)nc2c1 4282150 YWJLGFJGYDWHIX-YSURURNPSA-N 415.280 3.730 50 50 HHGA COc1ccccc1[C@H](CNC(=O)c1ccc2cc(C)ccc2c1)NC(=O)CCl 1875386529 SKIYSNIJMTVJQK-FQEVSTJZSA-N 410.901 3.983 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1 731409 GYCJGGFLYOXHHG-BRJLIKDPSA-N 410.861 3.872 50 50 HHGA CC[C@@H](Br)C(=O)Nc1ccc(NC(=O)[C@H](Br)CC)cc1 3122794 GPLMAMYULDULGH-VXGBXAGGSA-N 406.118 3.911 50 50 HHGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2520045 AJSBQFHGCBCLHS-HYARGMPZSA-N 413.886 3.905 50 50 HHGA O=C(NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1 2760945 YVJXCEDUKYVMAP-UHFFFAOYSA-N 404.873 3.544 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc2c1CCCC2 17093685 YMGYJCSNWHGXHV-UHFFFAOYSA-N 423.585 3.723 50 50 HHGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC 823015 XUSIDXWGJKBKNQ-BTYIYWSLSA-N 402.450 3.912 50 50 HHGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 1229799 ZNFPUYWZKMPDIX-GIJQJNRQSA-N 412.081 3.610 50 50 HHGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4210758 IZAQOUGWDFFNCA-FOKLQQMPSA-N 415.902 3.834 50 50 HHGA O=C(CCl)N[C@H]1CN(C(=O)C2(CCc3ccccc3)CC2)CC[C@@H]1C(F)(F)F 1875385776 BIYRQOWLOYQBDX-HOTGVXAUSA-N 416.871 3.534 50 50 HHGA COc1ccc(/C=N/NC(=O)c2sccc2C)cc1COc1ccccc1C(N)=O 681599 BETGXJHTYPDZRZ-WYMPLXKRSA-N 423.494 3.507 50 50 HHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccn1 1475095 QPFVDNJLPVJFGY-BUVRLJJBSA-N 414.494 3.572 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 43761022 XTZOTCHUYZNTCI-ZVBGSRNCSA-N 413.257 3.548 50 50 HHGA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NNC(=O)c1ccc2ccccc2n1)CC3 779413214 RWVYRBXUMVNRNH-INIZCTEOSA-N 413.481 3.526 50 50 HHGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccco3)s2)cc1 1821098 DNMWLZADSUHOTH-GIJQJNRQSA-N 404.542 3.974 50 50 HHGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@]12C(=O)Nc1ccccc12 2340156 RIVYQOGNERCRDS-ZAMGYDSWSA-N 417.852 3.655 50 50 HHGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 4210860 PGVCAVGXNXRSTB-FOKLQQMPSA-N 414.918 3.501 50 50 HHGA C[C@@H]1CCCN(C(=O)c2ccn(C3CCCCC3)n2)[C@@H]1CCCNC(=O)CCl 1875383389 RNAZENTYTLEROJ-VQIMIIECSA-N 408.974 3.764 50 50 HHGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 752624 MDZZKIXXNSOFSV-IVZQSRNASA-N 402.450 3.912 50 50 HHGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 2792972 DDCPZFTVFQNPDF-HXUWFJFHSA-N 410.426 3.512 50 50 HHGA Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 2898170 UOUDSVIRICNJOP-LFVJCYFKSA-N 421.522 3.649 50 50 HHGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259023 IXSACEPDNXFCJK-STPJHCLOSA-N 418.449 3.735 50 50 HHGA COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCCCl)cc1OC 12336300 PORWWRQKDWMLQF-OALUTQOASA-N 403.862 3.698 50 50 HHGA in-vitro COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc5c(c4)OCO5)cc3C2)cc1 32511898 JGFQJHLBYWPWTP-ROTLSHHCSA-N 415.449 3.708 50 50 HHGA Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2887391 DDKJUWQKUGXVKY-GOSISDBHSA-N 404.466 3.656 50 50 HHGA COc1cc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)ccc1O 37246208 WUJUZASCJAJXAI-CFRMEGHHSA-N 422.416 3.948 50 50 HHGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1 20130094 YKGKLMUMWVYHLJ-LFVJCYFKSA-N 419.356 3.651 50 50 HHGA COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)c(OC)c1OC 43761041 XSRRAOZAAGUGBL-ZVBGSRNCSA-N 413.257 3.548 50 50 HHGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1cccc(Br)c1 13564419 JMZZTUZFRZDZHZ-SRZZPIQSSA-N 403.305 3.958 50 50 HHGA Cc1[nH]nc2c1[C@@H](c1cc(Cn3cnc4ccccc43)c(C)s1)C(C#N)=C(N)O2 4625994 AFWMHJATAAEKRN-LJQANCHMSA-N 402.483 3.704 50 50 HHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2OCc2ccccc2)[C@]2(CCO2)[C@H]1O3 257357930 QUWIEIIQHGMURK-JPQAWSJCSA-N 420.578 3.601 50 50 HHGA CCOc1cc(C=C(C#N)C#N)c(Br)c(Br)c1OCC#N 2754311 WDBVUWCYOFGSMW-UHFFFAOYSA-N 411.053 3.943 50 50 HHGA Cc1cc2nc(/C(C#N)=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH]c2cc1C 4820849 VOZHSIISFNAFPR-BOPFTXTBSA-N 403.442 3.989 50 50 HHGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 6448851 PYBZHIGNUOFZPS-UHFFFAOYSA-N 407.433 3.830 50 50 HHGA O=C(CBr)c1cc2cc(Br)cc(Br)c2oc1=O 3098125 PHUHDLMUHWASPM-UHFFFAOYSA-N 424.870 3.896 50 50 HHGA C[C@H](Cl)C(=O)N1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 1875380597 SZRLCZSXQJCGTF-AWEZNQCLSA-N 424.973 3.858 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 5295958 SYWPFHITGPUTGQ-BUVRLJJBSA-N 421.501 3.704 50 50 HHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4335716 JBCLXXIFXLYUOT-MFKUBSTISA-N 415.449 3.611 50 50 HHGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)O)N1 19337901 YSOFXYBTYMMOJJ-GOSISDBHSA-N 411.508 3.901 50 50 HHGA COc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 4231762 SZGQDPZEMDPBNS-HZHRSRAPSA-N 423.494 3.568 50 50 HHGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 4282122 POEKPCIDSDJBLD-MFKUBSTISA-N 414.465 3.645 50 50 HHGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 707183 CDNYZNDNNYEDBD-JOCHJYFZSA-N 410.433 3.592 50 50 HHGA COc1cc(/C=N\NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1 32593018 DCHOJJNXGKSVPS-QRVIBDJDSA-N 424.478 3.813 50 50 HHGA C=CC[C@@H](CC(=O)N(C)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169834461 HWYQLZPEUMXNAR-FQEVSTJZSA-N 411.618 3.918 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2F)C2=C1C[C@H](c1ccccc1)CC2=O 1440699 QQWIJKVFUPJYSH-KSFYIVLOSA-N 402.473 3.796 50 50 HHGA C[C@H](NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccccc1 2793932 YZXRVAIFDHELJM-NSHDSACASA-N 415.412 3.793 50 50 HHGA CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 1079325 ZMKFWZDIPREXFZ-MRXNPFEDSA-N 411.502 3.635 50 50 HHGA CC(/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1 97441313 GYDBKUDNGYQFAA-VOHHWRIISA-N 410.949 3.663 50 50 HHGA Cc1nnsc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 5792624 CEUBKTFIIRVHIC-SSDVNMTOSA-N 406.446 3.602 50 50 HHGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)c1 2506367 NBNBDUAYMCDMEU-MFKUBSTISA-N 418.449 3.995 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 12418184 HQOSWSUQACLRRX-SSDVNMTOSA-N 414.849 3.520 50 50 HHGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)c(Br)c1 714281 GZSOBANHMHELIL-OAHLLOKOSA-N 413.202 3.913 50 50 HHGA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 18202544 ZPXGUQWLFREOMR-UPRAQXHNSA-N 408.410 3.740 50 50 HHGA O=C(NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)c1cccc2ccccc12 736708136 KTRPPICBUUYWPG-UHFFFAOYSA-N 409.371 3.889 50 50 HHGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 690859 FTIDNJZYUJSCTA-VGSWGCGISA-N 402.473 3.796 50 50 HHGA CCn1c(SCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 1309497 YYTHOTIYHIGUMA-KGENOOAVSA-N 424.486 3.506 50 50 HHGA CC[C@H](Br)C(=O)Nc1ccc(NC(=O)[C@@H](Br)CC)cc1 3122795 GPLMAMYULDULGH-RYUDHWBXSA-N 406.118 3.911 50 50 HHGA O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1C(=O)O 1187224 DPBABITYWXYSDQ-DJKKODMXSA-N 407.289 3.531 50 50 HHGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 17252747 VESGXJKUWHNPBW-KRWDZBQOSA-N 403.398 3.602 50 50 HHGA N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@@H]2C=C1 252695189 WCXHIOXBJLOALR-FHWLQOOXSA-N 419.282 3.575 50 50 HHGA O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 799957 HIHDKCMOZTXQEB-WMLDXEAASA-N 413.783 3.954 50 50 HHGA O=C(NNc1nc(O)c2ccccc2n1)c1cc(-c2ccccn2)nc2ccccc12 758300491 XLCLHOTUCMQPAD-UHFFFAOYSA-N 408.421 3.703 50 50 HHGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(I)c1 857103 YWIFNFPPRJQBSS-OAHLLOKOSA-N 420.250 3.742 50 50 HHGA C/C(=N/NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1 12342909 JWIXXELHMHXPJO-BKUYFWCQSA-N 400.276 3.730 50 50 HHGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 17081847 RHAUHUSWVSCALY-VCHYOVAHSA-N 400.438 3.591 50 50 HHGA CCN(CC)C(=O)c1sc(NC(=O)C(Cl)Cl)c(C(=O)OC(C)C)c1C 695715 KTMCPLHUDCIDNC-UHFFFAOYSA-N 409.335 3.846 50 50 HHGA CNC(=S)NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 6734718 NWIKZAINGSUDPQ-UHFFFAOYSA-N 405.310 3.947 50 50 HHGA Cc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 2899549 ZLSMYGONWURCES-LFVJCYFKSA-N 421.522 3.649 50 50 HHGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 4258607 HMTLQOYTZVKFHC-WGOQTCKBSA-N 423.476 3.937 50 50 HHGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccco1 662876 VGGKLCKUZMFTDG-HYARGMPZSA-N 403.467 3.770 50 50 HHGA O=C(N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1)c1ccncc1 1215169 JDYPNLSNVMKDSV-YDZHTSKRSA-N 424.254 3.827 50 50 HHGA Cc1cc(C)nc(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)n1 1740519 NFRCQNYRNOGZQF-SUQUQSPJSA-N 405.321 3.724 50 50 HHGA C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC 2502509 UFYIRBCTNGILLB-IBGZPJMESA-N 412.829 3.860 50 50 HHGA Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)N/N=C/c3ccncc3)o2)n1 2754021 ASUAOBJSUGAOIK-NUGSKGIGSA-N 421.404 3.848 50 50 HHGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccnc1 3049916 NZKPHVAEOSWAJQ-FSJBWODESA-N 424.254 3.827 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2ccc(C)s2)sc2c1CC[C@H](C)C2 17093689 VTGLVGBPHGGLQX-VIFPVBQESA-N 423.585 3.661 50 50 HHGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 25504590 NBVMDHXFIJZARW-VULFUBBASA-N 421.884 3.799 50 50 HHGA COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NNc2cccnn2)c(OC)c1 736695131 URZLZBQLWLLZLO-UHFFFAOYSA-N 417.469 3.718 50 50 HHGA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CCn2cc(Cl)cn2)o1 2783962 YZSMGQMTKPTULU-KEBDBYFISA-N 401.810 3.554 50 50 HHGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1F 800556 HPANQNPEUKGAKK-FQEVSTJZSA-N 406.417 3.663 50 50 HHGA CC1(C)O[C@H]2C(=O)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 169747435 MNHGEKZEDWXELW-PKTZIBPZSA-N 422.597 3.592 50 50 HHGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3s2)cc1OC 4888939 YUNXELXSKOYELY-CIAFOILYSA-N 401.513 3.946 50 50 HHGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 786546 YXXMAXHEJPGERG-NRFANRHFSA-N 419.506 3.927 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1 2570312 XTUHPLJTENDZFX-NRFANRHFSA-N 416.437 3.908 50 50 HHGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)c(Br)c1 1071386 GUKPWYMQPHTFFL-UHFFFAOYSA-N 411.321 3.648 50 50 HHGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3ccoc3C)ccc2c1Cl 2852676 LVBBLADKBWRTNE-UHFFFAOYSA-N 423.903 3.874 50 50 HHGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4282374 LLRPAEXJBXGULN-AFUMVMLFSA-N 422.412 3.583 50 50 HHGA COC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc(C)c1-c1ccccc1 6824930 OZKODMUNEYUJCP-UHFFFAOYSA-N 415.496 3.735 50 50 HHGA O=C(O)[C@@H](Br)[C@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 1739558 WRXYCMJAGVGLTO-YUMQZZPRSA-N 419.884 3.544 50 50 HHGA COc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1OCc1ccccc1 4889152 IGDUBXVJGOOQCN-LGJNPRDNSA-N 400.438 3.914 50 50 HHGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc2ccccc2cc1O 1229871 PABBHSZVIUWXLZ-ZVBGSRNCSA-N 413.227 3.801 50 50 HHGA Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 2885387 IEFFZJLZSRLDRX-KRWDZBQOSA-N 423.513 3.742 50 50 HHGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCc1ccccc1 2931854 OPLLNBSKIVEOTA-NRFANRHFSA-N 416.433 3.754 50 50 HHGA C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1OCC 2907439 CNELLCDNBPRQNK-QPNANDPSSA-N 414.531 3.688 50 50 HHGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(F)cc2)C(Cl)Cl)cc1 6211529 HHZOBIYQURKBLQ-HNNXBMFYSA-N 400.306 3.980 50 50 HHGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2OCc2ccccc2)[C@]2(CCO2)[C@H]1O3 257357929 QUWIEIIQHGMURK-DEAJMQISSA-N 420.578 3.601 50 50 HHGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(Cl)cccc1[N+](=O)[O-])C(C#N)=C(N)O2 1111271 VUGNTQIOXCQVAV-KRWDZBQOSA-N 407.817 3.961 50 50 HHGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c1 2531277 VFOXKIVALHMDFW-MFKUBSTISA-N 415.449 3.611 50 50 HHGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc1 2543047 WAEARFGKCJDSQK-BUVRLJJBSA-N 404.422 3.774 50 50 HHGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCC(N)=O)N1 4019913 MVONFSZOMIOQIJ-LJQANCHMSA-N 424.551 3.610 50 50 HHGA Cc1ccc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 220981779 PVDBQDOPSVIYPJ-LFVJCYFKSA-N 422.506 3.764 50 50 HHGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1Br 752668 KZOZOFWXPYOKAR-XLFHBGCDSA-N 419.275 3.527 50 50 HHGA N#CC1=C(N)Oc2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1c(F)cccc1Cl 1162768 XUDOLTIKVVDWKL-AWEZNQCLSA-N 411.780 3.996 50 50 HHGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(I)c1 1230238 SUNSDEULWQNWKS-UDWIEESQSA-N 420.250 3.549 50 50 HHGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)c(Cl)nc2c1 25539220 SBXFTDOARDODRE-YSURURNPSA-N 415.280 3.730 50 50 HHGA COC(=O)[C@H]1C(=O)NC(SCCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 220954696 YXNWIUCLISUPMD-VQTJNVASSA-N 406.507 3.709 50 50 HHGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)cc1 2518479 OYOSSFBZAJKZGA-MFKUBSTISA-N 415.449 3.611 50 50 HHGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1cccnc1 4181150 XNGMUZCVRITRBZ-FQEVSTJZSA-N 415.453 3.931 50 50 HHGA CCc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 239235288 VSINYAVFVVQOIZ-NDBYEHHHSA-N 415.125 3.675 50 50 HHGA CCOc1cc(/C=N/NC(=O)c2cc(O)ccc2O)ccc1OCc1ccc(F)cc1 13321375 HUPXKGOARNSLLN-DHRITJCHSA-N 424.428 3.979 50 50 HHGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 13512331 RSSXDRFOLCEQQP-IEBWSBKVSA-N 411.431 3.839 50 50 HHGA N#C/C(=C\c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(N)=O 17087604 XZTCVWCDCZCRCX-MHWRWJLKSA-N 407.271 3.753 50 50 HHGA CC(C)(C)[Si](C)(C)OCC1CCC(OC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 242273468 YCXLVMDQHAYMSN-AQFXKWCLSA-N 404.645 3.935 50 50 HHGA O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1cc(Cl)ccc1O 1185329 XXLIJSTTYHRYHF-DAFNUICNSA-N 419.868 3.769 50 50 HHGA O=C(N/N=C\C=C\c1ccc2c(c1)OCO2)[C@H]1COc2cc3ccccc3cc2O1 5029556 SRULHOCCOJPFSY-LLLWKHLMSA-N 402.406 3.524 50 50 HHGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 17082781 LURPTZZGMPOHLZ-CYBMUJFWSA-N 403.935 3.922 50 50 HHGA N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 12375325 CEGXVIHRPINAHB-LJQANCHMSA-N 417.450 3.833 50 50 HHGA Cn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nc2ccccc21 945946 RESMXTQTUBYLJM-VXLYETTFSA-N 403.305 3.578 50 50 HHGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)sc2c1 5676249 VHEYKLBSLDYRIU-UFWORHAWSA-N 405.819 3.941 50 50 HHGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1 8845703 HNWOJJLLTFKKLJ-OAQYLSRUSA-N 402.454 3.914 50 50 HHGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 868006 SDPPFZODECAPNB-AWQFTUOYSA-N 420.878 3.581 50 50 HHGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1C#N 6526985 QPRHAYICDOKLHK-UXBLZVDNSA-N 404.904 3.891 50 50 HHGA COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC 4229676 ORQJQGBAYMVVGR-ZVHZXABRSA-N 407.470 3.884 50 50 HHGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 16360966 WNUCMGHBWUATNX-UHFFFAOYSA-N 420.425 3.588 50 50 HHGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(C(F)(F)F)c4)[C@H]3[C@H]1CC2 229927180 XUFJORXVCDBGLG-UTRMSSBJSA-N 409.415 3.592 50 50 HHGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 658145 HDBNPLVCUIIKEM-MFKUBSTISA-N 418.449 3.995 50 50 HHGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1086763 RHBBIUYUHMPNJE-UFFVCSGVSA-N 418.240 3.910 50 50 HHGA COc1ccc(OC)c(NC(=S)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 4999133 VRXVQKHYGWQNCJ-UHFFFAOYSA-N 403.548 3.628 50 50 HHGA Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1 19787730 UUKHQSUGOGXSCR-YZSQISJMSA-N 416.525 3.690 50 50 HHGA Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4231925 XYYQNVKCXLBMAD-HZHRSRAPSA-N 407.495 3.868 50 50 HHGA CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CCC2 814342 AXPNXTHROQJOTO-RUZDIDTESA-N 415.493 3.760 50 50 HHGA COc1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1 5060187 DRQVCBDHIVFVIS-QZTJIDSGSA-N 411.502 3.958 50 50 HHGA CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1CC 2269336 QWQFEDNZHLWYDI-HYARGMPZSA-N 409.515 3.606 50 50 HHGA O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772625778 AUEGXEYFXNTTJQ-KSEOMHKRSA-N 417.465 3.531 50 50 HHGA COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(F)cc2)=C1C#N 1253476 AUYLATKXLGTNBK-INIZCTEOSA-N 411.458 3.545 50 50 HHGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 4229727 WAQHWKDJANRTBP-LSFURLLWSA-N 421.309 3.894 50 50 HHGA O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206239862 FJYNDFKPTXAGDQ-WMLDXEAASA-N 419.572 3.896 50 50 HHGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cc(Br)ccc1O 2521900 ZPSAJQBRIKCYHP-FBCYGCLPSA-N 418.074 3.991 50 50 HHGA C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(NC(=O)C(F)(F)F)c1 5021165 NHUNYUOLHMGWMQ-KSEXSDGBSA-N 408.336 3.558 50 50 HHGA O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 799961 HIHDKCMOZTXQEB-PBHICJAKSA-N 413.783 3.954 50 50 HHGA O=C(N/N=C\c1ccc(F)cc1)[C@H](Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 32619733 NDORNCNJQGKTIO-XBPUZACXSA-N 408.389 3.743 50 50 HHGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 4366309 HIHZLPYOINQOIX-HADWXUJASA-N 403.276 3.932 50 50 HHGA COc1cc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)ccc1OCCCCl 225421592 GBRIFKWUGMNOFD-HNNXBMFYSA-N 422.875 3.593 50 50 HHGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2I)cc1 3106030 GCEDRHSPRHBMOV-DEDYPNTBSA-N 421.282 3.901 50 50 HHGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 5125786 CLXMHOAYVJWLDS-YDZHTSKRSA-N 415.409 3.911 50 50 HHGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 5583776 VHVWJWLRFLMXDP-JJIBRWJFSA-N 410.518 3.801 50 50 HHGA COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)cc1 9329722 GUHXODTZMAPTHI-GOSISDBHSA-N 407.495 3.714 50 50 HHGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cc(Cl)ccc1O 4209401 NQCGARJARPWZPC-GZIVZEMBSA-N 422.293 3.794 50 50 HHGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)ccc2F)[C@H]2CSCC=C12 39325004 BIVBZUJFVHJGQZ-HOCLYGCPSA-N 415.291 3.745 50 50 HHGA COc1ccc(OC)c(NC(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1 2858934 LALZOGJNNOHZDB-UHFFFAOYSA-N 421.881 3.678 50 50 HHGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 4978849 LRWUGAPSLMMXPA-QGZVFWFLSA-N 405.483 3.932 50 50 HHGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1OCC 1192288 JUECSEYFLZGEOH-NGZBARDMSA-N 402.520 3.522 50 50 HHGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 4282051 CXHCQLXPFNFFRA-ZMOGYAJESA-N 402.406 3.707 50 50 HHGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5297033 SBYHPECCSVPSIA-VULFUBBASA-N 424.460 3.879 50 50 HHGA