smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1cc(/C=N\NC(=O)c2cccn(C(C)C)c2=O)ccc1OCC(=O)N(CC)CC 169919073 VZQNLTCXDBNSLQ-MYYYXRDXSA-N 456.543 2.839 50 10 JFGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117555 PDLONFFAYYMWAX-MRAWALMUSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC([C@H](F)CBr)C1 2316827122 NVYQXZFPUUDBHI-QGZVFWFLSA-N 475.380 2.838 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325889887 WZXBWRSLRRISHQ-UHFFFAOYSA-N 475.486 2.894 50 10 JFGE CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OC)c(OC)c3)sc2c1 2329703230 CMRONLZWMRUCCR-UHFFFAOYSA-N 458.521 2.767 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 12570526 YQLDZAXIRSOBCF-UHFFFAOYSA-N 487.719 2.969 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)NS(=O)(=O)c1ccccc1Cl 59369791 CMASYSYSDRGHHM-UHFFFAOYSA-N 452.703 2.745 50 10 JFGE C#CCOc1ccccc1C=NNC(=O)CCCCC(=O)NN=Cc1ccccc1OCC#C 254410539 GOPXSEIPIFJVSK-UHFFFAOYSA-N 458.518 2.871 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 703965237 OIQJTBISYFRLHX-CJNGLKHVSA-N 457.390 2.744 50 10 JFGE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 726496839 MQBIJHQIUZJMSO-AFRXXKALSA-N 486.619 2.651 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772748466 AAKIACUTPKQWFA-UHFFFAOYSA-N 490.516 2.907 50 10 JFGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868277841 JZQMPTLILMVYBP-UHFFFAOYSA-N 481.626 2.727 50 10 JFGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 2314435456 JJWFLKMDILDBDP-UHFFFAOYSA-N 471.517 2.892 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 14042214 IJBZCIIRDANGBG-UHFFFAOYSA-N 452.330 2.562 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1OC 59261130 RBBRDSDJZMSYTA-ZMOGYAJESA-N 492.565 2.517 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 725414715 MKPMNZFVMWYSAP-LEWJYISDSA-N 496.589 2.682 50 10 JFGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1083911779 RCFYLMXDLNPWIV-UHFFFAOYSA-N 452.492 2.936 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1 1084049862 DFYDBIYRMUJCNV-UHFFFAOYSA-N 462.344 2.819 50 10 JFGE C#CCCCCNC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1564343046 KFYONEKHHNBEFK-UHFFFAOYSA-N 458.540 2.634 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745397 XZHGHQSSZKRGOC-UHFFFAOYSA-N 460.490 2.768 50 10 JFGE CC[C@H](C)[C@@H](CI)NC(=O)c1cnn(C)c1I 2023034385 SGURCYRPQHPZPE-IONNQARKSA-N 461.085 2.604 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H](C)N1C(=O)OCc1ccccc1 2044690901 JHURRZQYMZGYCW-HOTGVXAUSA-N 474.421 2.822 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H](Br)C[C@]2(CCCO2)C1 2120030217 BRCSLPNQURWQJZ-QPUJVOFHSA-N 457.131 2.906 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](CNS(=O)(=O)N2CCC(Br)CC2)(C2CC2)C1 2162588898 KYWDXGNRFZGBCX-GOSISDBHSA-N 466.442 2.717 50 10 JFGE CO[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2172465258 WCRUCSJCZNKSHT-HUUCEWRRSA-N 463.394 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CI)[C@H](C(F)(F)F)C1 2243188572 FKAFOTBRSHFEIY-IUCAKERBSA-N 472.267 2.629 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(F)c(B(O)O)c2)CC1)OCC1c2ccccc2-c2ccccc21 2302868824 WFUCFVRWPBFMIL-UHFFFAOYSA-N 460.270 2.515 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 2313499160 TYYPCQJKHVOROO-UHFFFAOYSA-N 481.315 2.649 50 10 JFGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841954 DIZHFZWRMBPFOA-CVEARBPZSA-N 487.416 2.657 50 10 JFGE COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2417127 GUKLGOGBDDMCFW-GTUYJWLHSA-N 451.508 2.858 50 10 JFGE Cc1cc(I)ccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 34847083 UACFLHBLBCRTNO-UFWORHAWSA-N 454.224 2.776 50 10 JFGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1C 105794304 ARFNBVOYPHSUCK-NDQMAWMYSA-N 469.630 2.765 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(Cl)nc2)cc1 920853591 CBBOAYGQXHWJFY-YVLHZVERSA-N 464.913 2.706 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2O)cc1OC 1084025943 MSAMQTAYRPGOJU-UHFFFAOYSA-N 497.573 2.793 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770780 XEGZQBKOFFCJGQ-NEPJUHHUSA-N 480.999 2.807 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1860771915 LOSNKEBNDCOZEE-XJKSGUPXSA-N 468.579 2.987 50 10 JFGE ICCn1cnc(I)c1I 1934755275 XICRMHNVBGRZNO-UHFFFAOYSA-N 473.821 2.527 50 10 JFGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535086 XXIGKQVAZDGPBD-HNJNHCNJSA-N 463.369 2.738 50 10 JFGE C[C@@H]1C[C@@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 2008780665 QZKILPMGDQGLCP-ZJUUUORDSA-N 486.294 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2013979964 PFTXHHJBVNLHGY-IRXDYDNUSA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2106776280 GEVKRVPCPUFGEH-CQSZACIVSA-N 452.415 2.612 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2117739010 XETYGFIZYOQLMK-VQIMIIECSA-N 487.391 2.980 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2256598970 BUCJXMUUAXLHFC-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2256605219 IYDLXZSVPHCFQN-QGZVFWFLSA-N 470.334 2.573 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2364007101 NRINIFUUZCAZRY-YUMQZZPRSA-N 473.991 2.865 50 10 JFGE O=C(NN=Cc1ccccc1I)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 252616302 JZCABUWLVDNIOH-UHFFFAOYSA-N 465.207 2.801 50 10 JFGE O=C(Cn1nc2ccccc2n1)NN=Cc1cc(Br)c(O)c(Br)c1 252625247 QFXRFZCSMQXEPN-UHFFFAOYSA-N 453.094 2.812 50 10 JFGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(CO)cnc(C)c2O)cc1 254305837 XTDYKPSMFIWQOE-GTCXRGBVSA-N 460.490 2.518 50 10 JFGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852023 NIKVVPHVLYNXBR-MRXNPFEDSA-N 468.579 2.898 50 10 JFGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021075 ZAQHLCRKUSJXMR-DJJJIMSYSA-N 475.380 2.979 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455784 OUGYUPZNFMDUCQ-HKPCVWGHSA-N 474.550 2.901 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@@]23CCC[C@]2(CN(Cc2ccccc2)C3)C1 2179869434 XVNFOJPALNEINY-PMACEKPBSA-N 456.450 2.936 50 10 JFGE O=S(=O)(NCCOCCCI)c1ccc(F)c(Br)c1 2232138943 YWIWOAIHBMTQSN-UHFFFAOYSA-N 466.110 2.708 50 10 JFGE COc1ccc(N2C(=NC=C(C#N)C(=O)NCCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2296608226 BJBWQQADKZCSHN-VXKWHMMOSA-N 496.614 2.536 50 10 JFGE COc1cc2c(C=NNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 2328799265 YKBBYIRVMNWFAS-HNNXBMFYSA-N 474.514 2.743 50 10 JFGE COC[C@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338860601 KESXPXHHVUWLDC-LLVKDONJSA-N 461.980 2.723 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 12503033 WOVXIUYIYFCKLR-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)cc1 40815312 LRWDPHAVKSYQDP-XQNSMLJCSA-N 470.507 2.583 50 10 JFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1F 59246775 VDTSREMMDUFPMY-WYMPLXKRSA-N 480.334 2.958 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(N)c(Cl)c3)CC2)cc1 217253604 XMQBGQOMFZNCLJ-PEZBUJJGSA-N 459.959 2.583 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 254401999 HCMQFRYRUSVFQO-UHFFFAOYSA-N 489.550 2.918 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 254737328 OCDNWTMMEJMLCF-KEYBJCOKSA-N 496.614 2.536 50 10 JFGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 719785308 CLYGYOKKAZTBKJ-KBPBESRZSA-N 457.390 2.744 50 10 JFGE COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)NCc2ccnc(C)n2)cc1OC 918660932 HMOUNNHCQPAMQX-WOJGMQOQSA-N 457.494 2.803 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 1084288609 IWDPQGVBIWNNIK-UHFFFAOYSA-N 468.930 2.939 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1Br 1942095155 NTHOFDAYATUDAB-PBHICJAKSA-N 457.390 2.936 50 10 JFGE C[C@@H](Br)[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942097460 IIKDYVGDIKHFMH-CABCVRRESA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC1(C)C 1949206263 ZLYQCGZBXVTSHD-ZDUSSCGKSA-N 457.390 2.886 50 10 JFGE C[C@H](Br)C1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046028556 JJXLYVASRIPBSU-ORAYPTAESA-N 475.380 2.836 50 10 JFGE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2106774749 YXCYWWJPNJUFBG-UHFFFAOYSA-N 451.383 2.743 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)CC[C@@]1(CBr)C2 2134807033 SVVYLKOEPGKNMF-UFYCRDLUSA-N 487.391 2.980 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 2179860350 QJRDJRSSDKZBFP-GOSISDBHSA-N 455.422 2.790 50 10 JFGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 10294247 ITNAPUCPNDOJHB-UHFFFAOYSA-N 456.524 2.551 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14021519 BKQZZUSPBRWBHR-UHFFFAOYSA-N 465.300 2.865 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1OC 14654133 CGRSHRKGCWUUJK-UHFFFAOYSA-N 496.383 2.961 50 10 JFGE COc1cccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 15973826 YKVWPPGEFKVJRM-UHFFFAOYSA-N 476.445 2.703 50 10 JFGE aggregator O=C(NNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O)c1ccncc1 27529321 BBEWZUAIDSZAGY-UHFFFAOYSA-N 467.073 2.788 50 10 JFGE CCCc1cc2c(c(=O)n1CCOC)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569460 AXXSUAKAZZWWEM-HXUWFJFHSA-N 455.511 2.691 50 10 JFGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1NNC(=O)c1ccccc1Br 40784819 BBIKVWYPVINQSC-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 58990321 SOCPNPVDRHEGGE-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2 254483332 FBQOZVNGQIPWAL-UHFFFAOYSA-N 482.474 2.669 50 10 JFGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccc(O)c3)c2)c(C)c1 725880147 YJAGJZNHGOVACS-UHFFFAOYSA-N 453.520 2.814 50 10 JFGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)cc1 742947381 CYAJKOGDFQVYIT-KRWDZBQOSA-N 471.627 2.648 50 10 JFGE C#CCN(CC)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1625502521 ZYCBBWCJPDPCRZ-LFIBNONCSA-N 454.328 2.577 50 10 JFGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2106303955 ZQAWJQUGVBQHOU-UONOGXRCSA-N 454.431 2.716 50 10 JFGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cnn(CCBr)c2)C[C@@H](C)N1Cc1ccccc1 2179808442 IJOGOFSGXPETGA-IXDOHACOSA-N 455.422 2.950 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](C(F)(F)F)C1 2186682261 IMCMCJKWNIUQJB-LBPRGKRZSA-N 480.347 2.574 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 2313616932 AZTBAXQHGFXDMH-UHFFFAOYSA-N 460.943 2.803 50 10 JFGE CO[C@@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827976 WXZULBKAONSWJH-IBGZPJMESA-N 475.405 2.562 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2356241059 ALNZDFOMNZKFNM-WCIQWLHISA-N 457.434 2.855 50 10 JFGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 9825521 OILHNQGTKCCQQD-UHFFFAOYSA-N 484.290 2.790 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572531 MENHGDRBPKADFH-SNVBAGLBSA-N 487.321 2.770 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1I 14776482 NBIAMALKVIWXIG-UHFFFAOYSA-N 492.342 2.890 50 10 JFGE O=C(NNC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15974315 OGTNJANPSONZFG-UHFFFAOYSA-N 480.344 2.825 50 10 JFGE aggregator C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1 18052538 JLLSFPGFTWNMPS-KRWDZBQOSA-N 496.527 2.810 50 10 JFGE N#Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59167015 CDZNZIRZNCRHPH-VYIQYICTSA-N 455.430 2.913 50 10 JFGE CCn1c(CCC(=O)NNc2ccc(F)c(F)c2F)nc2cc(S(=O)(=O)N(C)C)ccc21 727759576 GMAWMEFVRQFMIN-UHFFFAOYSA-N 469.489 2.800 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccccc2)c(I)c1 1084209985 OOAWYPIXQWHFPD-UHFFFAOYSA-N 479.318 2.653 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1 1084354937 VAWGXAWOMRFACQ-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2cccc(O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084540368 QOTZKYALDJICFF-UHFFFAOYSA-N 499.545 2.764 50 10 JFGE C=CCc1cc(CNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cc(OC)c1OC 1477657993 ODTXGTFSLYOKNB-UHFFFAOYSA-N 455.519 2.859 50 10 JFGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3cc(F)ccc3C)cc2)CC1 1676870392 PJHJXPAKGWENAK-UHFFFAOYSA-N 457.550 2.546 50 10 JFGE COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 1860773620 CHCZLXNHERARPA-UAGKAUTFSA-N 485.522 2.917 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@H]1Br 1942099644 VZCZXZQYZPSTEM-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2162590789 FPOGQJZRXPLUTI-CRAIPNDOSA-N 466.442 2.860 50 10 JFGE CC(C)(CI)CN1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2306818527 LHGRUWZZMXZAHX-BARDWOONSA-N 452.377 2.901 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309226383 VPBQBAWWMVOHHZ-OSMBCOQSSA-N 469.401 2.648 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c2cc1OC 2328799259 XRRHQURATNYEJI-HNNXBMFYSA-N 460.487 2.733 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502104 FNKWYFNBCPSMOH-UHFFFAOYSA-N 484.321 2.956 50 10 JFGE CCOc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 15985689 ILXUWARHWPIKKG-UHFFFAOYSA-N 454.892 2.563 50 10 JFGE Cc1cc(C)n(CC(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)n1 27609770 OJSRAUPPICUHFH-QFIPXVFZSA-N 492.967 2.823 50 10 JFGE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc1 1084242580 MEHWGHSKWZDBLN-UHFFFAOYSA-N 466.571 2.650 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 1669716625 XGAKTFHRHNAEKB-SUMWQHHRSA-N 455.437 2.641 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](C(F)(F)CCl)C1 1892700910 PNPWJFLJWRLLIP-SJKOYZFVSA-N 452.882 2.537 50 10 JFGE C[C@H](CCCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540609 PPTTUVVWFYNZIK-ACJLOTCBSA-N 463.369 2.741 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)CCC[C@H]1Br 2011550553 AZJYXBYFNLOAMW-FHLIZLRMSA-N 461.353 2.636 50 10 JFGE Cc1nc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)c(Br)n1C 2125300686 SSWVVRLIRZCSAB-UHFFFAOYSA-N 489.483 2.675 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2268610578 STDCRKNGUJZLRI-AREMUKBSSA-N 484.361 2.772 50 10 JFGE COc1ccc(C(=O)NNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1I 2313601898 MJPCNXDMGACMKD-UHFFFAOYSA-N 482.274 2.791 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(C1)OCCC[C@@H]2Br 2364021687 IFTAVTWARNWMQY-ZETCQYMHSA-N 471.975 2.714 50 10 JFGE COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1O 3112699 QJEPQOYKCQGAQG-NSRYLYFRSA-N 467.547 2.749 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1C 12502899 NRNDEBDLWXBURZ-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040743 RGLWTDYHMVJSDX-UHFFFAOYSA-N 465.531 2.859 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NCCc3ccc(OC)c(OC)c3)c2[N+](=O)[O-])cc1 40583768 KTFZKTJUQZDXEU-UHFFFAOYSA-N 468.470 2.822 50 10 JFGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc(F)ccc2Br)c1 728548846 STZFESNZDYMBMG-UHFFFAOYSA-N 451.252 2.580 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 1084272521 WEQGEWDRCSMCDC-UHFFFAOYSA-N 477.315 2.719 50 10 JFGE C#CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCCCC1 1538837281 JUNMSWRUKQSZRZ-UHFFFAOYSA-N 453.564 2.900 50 10 JFGE C=C[C@@H](C)ONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1644295649 DJEYIWNCHXIJOB-MLJKTZRHSA-N 458.316 2.717 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851440 BRCKUJGWKHMWNE-HOTGVXAUSA-N 496.589 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCCCCI 1928300332 BWMIUMITVRSQOF-UHFFFAOYSA-N 478.352 2.588 50 10 JFGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1Br 2002521520 DRGQQFDQQBYIJB-ZQIUZPCESA-N 457.390 2.934 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1Cc2ccccc2[C@H](CBr)C1 2056067874 HAHBWQMIDXZXQO-OAHLLOKOSA-N 463.353 2.607 50 10 JFGE Oc1ncnc(N2C[C@@H](C(F)(F)F)[C@@H](CBr)C2)c1I 2106984805 GFTFZKZPUOKDKJ-NTSWFWBYSA-N 452.012 2.796 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2108228424 APKAGNGNELXTAQ-GKCIPKSASA-N 487.391 2.838 50 10 JFGE O=S(=O)(c1occc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179827764 IYAYRIASCMHZIX-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cccc(B(O)O)c1F 2248904719 XPLWFBWNLPYIMO-UHFFFAOYSA-N 462.286 2.763 50 10 JFGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4C3)cc2)cc1 15659459 BARKFVYUBPOZNO-LJQANCHMSA-N 495.557 2.898 50 10 JFGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 33347168 DUXTWFIEBASDPK-VROXFSQNSA-N 456.524 2.513 50 10 JFGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c1O 58988406 SQYJWFNECOHEQK-ZVHZXABRSA-N 452.540 2.821 50 10 JFGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 107912592 RISMJRAKLJGCBW-UHFFFAOYSA-N 484.438 2.748 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 109878413 ZBLBOQVHPGTZEY-CQSZACIVSA-N 498.175 2.616 50 10 JFGE COc1ccc(N(CCC(=O)NNC(=O)NC(C)C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 745139392 FLTXIEWVQVMMLI-UHFFFAOYSA-N 462.572 2.636 50 10 JFGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1 1540271319 MMPVVFFPQMCMOG-UHFFFAOYSA-N 453.611 2.547 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c1 1633773627 NHFFWHKLCUGISC-BNGSBABLSA-N 453.568 2.772 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)c(Cl)s1 2004902617 NVLLWAFOUNICBG-RXMQYKEDSA-N 452.495 2.870 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2042546077 UKDVUMNEMPLHED-NONVJHHQSA-N 469.401 2.934 50 10 JFGE COC1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089707012 JBEZWCKPBSUHQG-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1c(Br)cccc1Br 2121330750 SPVCRWUGMRZARQ-BDAKNGLRSA-N 475.984 2.502 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134131110 PRDZPECDXSNXCS-OSMBCOQSSA-N 487.391 2.977 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CI)C[C@@H]1C(F)(F)F 2242679630 OGZMMTNZZAYGRZ-RKDXNWHRSA-N 472.267 2.629 50 10 JFGE COc1cc(B(O)O)ccc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257374978 WKYXBIWOUAOWIT-UHFFFAOYSA-N 474.322 2.631 50 10 JFGE COc1ccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccccc1 2328808857 AFKDBKXOMOZBEH-UHFFFAOYSA-N 458.474 2.840 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC[C@@H](CBr)O2)C1 2364230007 GUZCIBNOLADUOI-ZETCQYMHSA-N 471.975 2.714 50 10 JFGE CC(C)(C)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 13988364 PDLWCBCNWKUEQK-UHFFFAOYSA-N 467.183 2.658 50 10 JFGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40785267 JUFNGIAPGFIZGO-UHFFFAOYSA-N 481.944 2.520 50 10 JFGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 58988562 AIAVNZWHQVVOTJ-KOEQRZSOSA-N 451.600 2.866 50 10 JFGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 103699901 PTAOHYQOLQFDOO-KAMYIIQDSA-N 454.537 2.967 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H](Br)C1 703967259 QCDOTSWGSKETRI-UONOGXRCSA-N 457.390 2.934 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCC1 717690044 HEVINPYOJXLQQV-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NN(C)C(=S)NC)ccc1Cl 1160935778 KLTFXPNRHNPWBV-UHFFFAOYSA-N 452.989 2.802 50 10 JFGE C[C@@H](Br)C1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1942099607 VKBSJEDATPBOPA-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)CI)C1 2013087881 FHZKAFLJQUGDQI-SNVBAGLBSA-N 470.333 2.658 50 10 JFGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1cc(I)ccc1O 2190183689 PGCJWVMPLAVCBD-KBPBESRZSA-N 452.086 2.813 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234559528 PTBDHQNJEWLBBN-YMTOWFKASA-N 454.077 2.914 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2256562778 FYQRBQSBLDXORB-AVYPCKFXSA-N 469.401 2.936 50 10 JFGE C[P@]1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338846652 FHHBZAFCAHMTTE-IIZOCFLVSA-N 460.920 2.745 50 10 JFGE COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2OC)C(C)C)c1 2661865 JXRITFRCSSQCBH-LJQANCHMSA-N 463.918 2.581 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 13976816 GUVRXZNSYCPHOA-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCC)cc1 14037160 RAZDEURBCBYVCS-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE CN(C)CCOc1ccc(CNC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1 727733376 GASBRMHZMZMXFB-UHFFFAOYSA-N 461.566 2.914 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1[N+](=O)[O-] 1083903318 CZPKLQVMNPTDEI-UHFFFAOYSA-N 482.518 2.772 50 10 JFGE C#CCN(CC(=O)NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)OC(C)(C)C 1472499901 XLZXUUMLULQMFL-UHFFFAOYSA-N 458.540 2.801 50 10 JFGE CCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 1772719761 TXLJMWZZAJIGOJ-UHFFFAOYSA-N 457.328 2.846 50 10 JFGE O=C(Cc1c(F)cccc1F)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770100 SUDCPISDJNEOCO-UHFFFAOYSA-N 454.458 2.793 50 10 JFGE CC(C)C[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2057122955 OSDYVAKFZHXIRG-LIRRHRJNSA-N 477.396 2.987 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@H]2COC[C@@H](C1)C2Br 2169668924 VYZRYXRLQQDZFC-PHXKMMTBSA-N 454.077 2.912 50 10 JFGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2C1=O 2313815373 TXSVZZIMBWZGHU-QGZVFWFLSA-N 458.474 2.871 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2nnn3c2CCC3)C1 2316912917 WMCKQFDVUJWZHO-QGZVFWFLSA-N 462.332 2.946 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1Br 14662100 QDMFMZYUJMUMMU-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(O)c(Br)cc1Br 33403404 HVRYBWKLMSOMQF-FTGAVUAMSA-N 481.144 2.897 50 10 JFGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC 40877874 HFMIFHJBNAAZME-QGOAFFKASA-N 454.479 2.748 50 10 JFGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 101615731 UREDLMJBOJSRMU-XIEYBQDHSA-N 464.478 2.800 50 10 JFGE CC(=NNC(=O)CCCC(=O)NN=C(C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 254430680 YBQYSFZBSSLOIW-UHFFFAOYSA-N 452.467 2.695 50 10 JFGE COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(OC)c1 254509785 NFHQVYZEQPFTEY-UHFFFAOYSA-N 457.508 2.638 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3cccc(F)c3)nnn2-c2nonc2N)cc1 254630592 YMMPJLRSLHWZHV-UHFFFAOYSA-N 452.475 2.736 50 10 JFGE O=C(NC[C@@]1(CBr)CCCOC1)c1ccc(I)c(O)c1 700910174 BLFBOGHKGRCQEJ-AWEZNQCLSA-N 454.102 2.918 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 725414718 MKPMNZFVMWYSAP-SFTDATJTSA-N 496.589 2.682 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1cccc(Cl)c1 1860770310 CBMAOZLLDXVKIY-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098318 NAJUFRLYZGXFOO-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 1942099489 VAWSYXATPAGFJH-CPUCHLNUSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2041459841 KHXMVHGKTMCAFN-MGPUTAFESA-N 469.401 2.890 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2070015290 QRWBOTPBBURZLR-OLMMMNRUSA-N 473.364 2.588 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)c1 12502878 RHIRCSOCXQBACQ-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccco3)c(C)c21 101600947 LNQIYOQMFIIJEI-BUVRLJJBSA-N 450.451 2.735 50 10 JFGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)nnn1-c1nonc1N 254306183 BCMXLZCMXVSHTC-HNNXBMFYSA-N 465.562 2.668 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 703966248 DYZHYDSMHRMNKB-HALDLXJZSA-N 471.417 2.990 50 10 JFGE O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)c1ccc(Cl)cc1 726272530 NEQXJPDQQXMXLJ-UHFFFAOYSA-N 450.948 2.659 50 10 JFGE C[C@@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1cc(F)ccc1N1CCN(C)CC1 726279761 ROFXLGAYBDQWHX-MRXNPFEDSA-N 450.518 2.831 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)c1 1471691877 XFIUMHLJNLFGAS-UWJYYQICSA-N 452.580 2.528 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772749125 QLMAONMFQAXGSM-UHFFFAOYSA-N 480.546 2.611 50 10 JFGE CCc1cccc(CC)c1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777672 OLMPSALBASPXCL-LEWJYISDSA-N 463.582 2.941 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(OCCNS(=O)(=O)CI)cc1 1983328498 YDOWEUPPCMOQOL-UHFFFAOYSA-N 456.302 2.724 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 2022858663 VHJFERFQWLPOTD-CABCVRRESA-N 479.665 2.627 50 10 JFGE CSCC[C@@H](Cl)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024800 DCZZDQSSQNIQLV-UGSOOPFHSA-N 450.985 2.681 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=C[C@H]1CBr 2301117737 SXUUJRSAMYDZIY-HNNXBMFYSA-N 455.374 2.808 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(B(O)O)c(F)c2)CC1)OCC1c2ccccc2-c2ccccc21 2302691210 PSZVJZOHSGIAMX-UHFFFAOYSA-N 460.270 2.515 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(OC)cc1B(O)O 2317614533 YIOYAHYABGVMDM-QHCPKHFHSA-N 474.322 2.631 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 14030674 IJQQOYLIGBQOLC-UHFFFAOYSA-N 473.551 2.613 50 10 JFGE COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C\c3cc(Br)ccc3O)s2)cc1 27472889 ZBCVMBSHXSJTDF-FBHDLOMBSA-N 490.339 2.960 50 10 JFGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(O)cc2O)NC(=S)N1 59385041 JJKVIBHBUGJQJM-JDYBYSMLSA-N 461.341 2.803 50 10 JFGE COc1cc(C=NNC(=O)CSCc2ccccc2Br)ccc1OCC(N)=O 254762095 FMGPPKRGFSLAON-UHFFFAOYSA-N 466.357 2.705 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(F)ccc1Br 728547270 PXVVFNKRHSBAAR-AWEZNQCLSA-N 490.376 2.654 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](Br)C1 2003409965 LRTTYSAXXMQRER-UGSOOPFHSA-N 461.353 2.590 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CCNS(=O)(=O)CI)C(F)(F)CC1 2007707605 INCGMJQVYQXZIP-LLVKDONJSA-N 482.331 2.971 50 10 JFGE CC(C)N(CCOCCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029233544 UNJUJEPMYLKOFL-UHFFFAOYSA-N 475.405 2.515 50 10 JFGE COCC1(CNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2178026151 RYRIZZIBYBUVSS-UHFFFAOYSA-N 463.394 2.743 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](F)C[C@H](Br)C1 2213904665 WOUXFQGQPCUYBI-KBPBESRZSA-N 461.353 2.590 50 10 JFGE CO[C@H]1[C@@H](CBr)N(C(=O)c2ccc(I)cc2)C[C@H]1OC 2233354016 IKMCAJBMTNEFHA-UPJWGTAASA-N 454.102 2.541 50 10 JFGE BrC[C@@H]1CO[C@H]2CN(c3ncc(Br)cc3Br)C[C@H]2O1 2265028654 YMSWVIHHIWFMSO-DVVUODLYSA-N 456.960 2.974 50 10 JFGE Cc1c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc(B(O)O)c1Cl 2268655069 HLBLAZSTNMDDGZ-QRWLVFNGSA-N 476.766 2.765 50 10 JFGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 2324345720 JIKYWAAWNFYBNF-UHFFFAOYSA-N 462.506 2.756 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 10450669 PELVQTLFTLUGAW-SOFGYWHQSA-N 493.339 2.780 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)c(Br)c1 13978517 XFKWVFGHLACXRV-SOFGYWHQSA-N 452.330 2.773 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)C(F)(F)F)nnc1-c1ccc(Br)cc1 20831203 HILNIOQZZRSOQK-UHFFFAOYSA-N 464.267 2.695 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2c(O)ccc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 20924052 FRTALAWIPWQEDX-BHGWPJFGSA-N 479.497 2.802 50 10 JFGE O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254505804 UFQYLKWYYISHBD-YJSXEUPYSA-N 474.429 2.950 50 10 JFGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 726276480 ADZZTYARHWABOS-ROUUACIJSA-N 477.675 2.786 50 10 JFGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccccn1 728501466 MJPULWDBNAZGEX-UHFFFAOYSA-N 460.899 2.619 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCc2ccc(F)cc2)cc1 920847566 HCKGBFNRHJKGIN-XMHGGMMESA-N 461.497 2.839 50 10 JFGE COc1cccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 1084134839 ZDJGBJSMKZNOSP-UHFFFAOYSA-N 455.500 2.598 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1683676832 WIGMHWRPLYQSJT-KRWDZBQOSA-N 454.533 2.867 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(Br)CC1 2000539781 BTJQQWXSXVKDOC-PWGQDJSOSA-N 461.353 2.636 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cccc(Br)c1Br 2031487764 YIZIJWHACGFPNT-QMMMGPOBSA-N 490.917 2.918 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065401448 BVKADGSQMGFNDS-MUJYYYPQSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1scc(B(O)O)c1Cl 2243376804 PLLJJHFRHUCYAN-UHFFFAOYSA-N 452.769 2.639 50 10 JFGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 2297471343 JHQXYGIATOPEIN-RBUKOAKNSA-N 456.524 2.947 50 10 JFGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2302552023 UEJWCIFQOPPQJJ-INIZCTEOSA-N 459.406 2.990 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2364231099 VHQHDJZBAPBWKH-JVXZTZIISA-N 471.975 2.571 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40784182 RBXHHPFIHDOADA-UHFFFAOYSA-N 456.304 2.644 50 10 JFGE CCN(CC)c1ccc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1 59878875 LEHYAGPGAULGCW-KOUDTOEKSA-N 458.592 2.525 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ncc(O)nc3=O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 504169300 QDDZYKQFTBFTMS-KANFNMMFSA-N 487.702 2.559 50 10 JFGE biogenic Cn1ncc(C(=O)N2C[C@@H](CBr)[C@H](C(F)(F)F)C2)c1I 709806283 IQTXHDPCVZSEQI-HTRCEHHLSA-N 466.039 2.670 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860772219 VJJILOOCECUFGL-CHWSQXEVSA-N 470.551 2.622 50 10 JFGE CN(C)CCCN1C(=O)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866610528 AUTWUTAGBQJAOY-UHFFFAOYSA-N 493.589 2.955 50 10 JFGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1914353166 NFFHYOAMBMOAIH-SNVBAGLBSA-N 452.172 2.552 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 2046027119 AINHFJRDJUCPFT-QAPCUYQASA-N 473.364 2.590 50 10 JFGE ClCc1nc(-n2cnc3c(I)ncnc32)ncc1Br 2121256551 WQPKBGXZHSXKLK-UHFFFAOYSA-N 451.453 2.711 50 10 JFGE CN1CCN(C(=O)Cc2ccccc2I)[C@@H](CCBr)C1 2202834796 NHSUMUDHOFHTGQ-ZDUSSCGKSA-N 451.146 2.761 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2301660520 DAFZFNXMGYRVCT-HSZRJFAPSA-N 458.323 2.931 50 10 JFGE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 20923999 XQGAIZKDIBFTIM-LSFURLLWSA-N 489.993 2.852 50 10 JFGE O=C(C[S@@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1 100989175 HBQOFMFRQSWMMX-PMERELPUSA-N 482.370 2.510 50 10 JFGE CC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217242378 MQAFLERDFNPNEL-SILNSSARSA-N 452.536 2.550 50 10 JFGE CCCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254763350 DHITVPPTUOFVIV-UHFFFAOYSA-N 489.540 2.812 50 10 JFGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1 742947383 CYAJKOGDFQVYIT-QGZVFWFLSA-N 471.627 2.648 50 10 JFGE CCCNC(=O)CN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 1084516599 HSFKXQKJBPPSSX-UHFFFAOYSA-N 450.539 2.891 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771032 GZYBPIDFIAYRLS-NEPJUHHUSA-N 455.496 2.513 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NS(=O)(=O)CI 1983329255 HPTCGGPZYXGPQY-NEPJUHHUSA-N 458.362 2.772 50 10 JFGE C[C@]1(CBr)C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2009761602 MBLPCOKHTSDHMJ-QUWSVYMGSA-N 457.390 2.936 50 10 JFGE Cc1cccc([C@@H](Br)CS(=O)(=O)N2CCOCC2)c1I 2145642596 MVUGGNCHJAKNQZ-LBPRGKRZSA-N 474.158 2.698 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2cc(I)ccc2O)CC1 2170216228 OFPXDXMHXUPQLB-JTQLQIEISA-N 453.118 2.538 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@H](CBr)OCC12CC2 2183974567 ONLYNPRMAYVLPN-JTQLQIEISA-N 452.086 2.765 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2270094123 DWSGLQQMOWFMII-PBHICJAKSA-N 455.415 2.592 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@H](Br)[C@H]2C1 2308193273 LGAOQGXAYVUOKO-JLSDUUJJSA-N 469.401 2.888 50 10 JFGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)c1ccccc1O 2314397429 MSHDSWOUUATAEI-UHFFFAOYSA-N 483.502 2.668 50 10 JFGE CCCOc1c(Cl)cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc1OCC 2323157699 GXTQBHKBHKCQIQ-JTQLQIEISA-N 455.924 2.755 50 10 JFGE O=S1(=O)C[C@H](NCc2ccc(I)c(Br)c2)[C@@H](Cl)C1 2325230916 QWKCKFKSZUFEJL-ONGXEEELSA-N 464.550 2.548 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 2325255664 PXWDNNPUUPXTSZ-UHFFFAOYSA-N 489.941 2.909 50 10 JFGE CCCN(CCC)Cc1c(C(=O)N/N=C/C(C)=C\c2ccccc2)nnn1-c1nonc1N 4456385 NRDCILSNYFGEBU-DNSIDTQISA-N 451.535 2.674 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1OC 58987656 SUFNUEOHISGLRV-LSHDLFTRSA-N 491.371 2.681 50 10 JFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(OC)c1 58990037 VYHDPIZGDWGHIE-PCLIKHOPSA-N 468.583 2.817 50 10 JFGE COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 101123881 KOCMWNJMCGRUPC-UYRXBGFRSA-N 466.519 2.939 50 10 JFGE Cc1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)nn1-c1ccccc1 107932241 ALUWVDYOBHCVPN-UHFFFAOYSA-N 478.516 2.957 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CBr 703989305 HNCYSXITYDVRJA-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)CCOc1ccccc1 726192377 ZSHNZKZYSJGHBE-GOSISDBHSA-N 453.543 2.803 50 10 JFGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1083961040 ZTMFMXVCVHSQSD-UHFFFAOYSA-N 450.904 2.799 50 10 JFGE CC1=C(C(=O)NN=Cc2ccc(O)cc2O)[C@H](c2ccc(Br)cc2)NC(=S)N1 1084145055 ZENOZFIHQWOZCE-KRWDZBQOSA-N 461.341 2.803 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccccc2)CCC3)cc1 1772747631 NGXVMIPZWMPMFS-UHFFFAOYSA-N 496.545 2.690 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770300 BTEPCQXZJGGLBL-NSHDSACASA-N 466.972 2.561 50 10 JFGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771282 OYWCAOAWBJTGFK-SQMDOARZSA-N 487.563 2.974 50 10 JFGE O=S(=O)(CI)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1880574777 ZUQGTUMBWCLUNP-UHFFFAOYSA-N 486.375 2.770 50 10 JFGE O=C1c2ccc(I)cc2S(=O)(=O)N1C[C@H]1C[C@@H](Br)C1 1887836270 CPFYYINKOZMKCU-OCAPTIKFSA-N 456.099 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2013979965 PFTXHHJBVNLHGY-SJORKVTESA-N 455.374 2.640 50 10 JFGE CN(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cnn(CCCBr)c2)C1 2179786539 BTOROCWHPJNWFB-GOSISDBHSA-N 455.422 2.953 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(I)cc1Cl 2231666413 HQKGHXNNFGKPQL-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]2[C@H]1CBr 2316815301 LYLDPAATASSKEI-ZTFGCOKTSA-N 469.401 2.888 50 10 JFGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841955 DIZHFZWRMBPFOA-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)CCc2ccccc2)cc1I 12501929 QKQVNLOPOLRQQI-UHFFFAOYSA-N 483.331 2.568 50 10 JFGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC)ccc1OC(C)=O 34988277 WAOCSXANWJJJAW-ZSOIEALJSA-N 471.491 2.812 50 10 JFGE C[C@H](Oc1ccc(/C=N/NC(=O)COc2ccccc2I)cc1)C(=O)O 59302465 MZFHRBVEJMTWLX-QDBSGRMGSA-N 468.247 2.672 50 10 JFGE COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 1088659726 RTIYSFQBUVSNRR-PGMHBOJBSA-N 465.531 2.784 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](CCBr)C1 1942091471 SLLOONLGVYLUBN-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(C)(C)[C@@H]1CBr 1944084982 AXBCUVWKHOBTLU-HNNXBMFYSA-N 457.390 2.744 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)Cc1ccccc1 2164503779 WVNPXJFPJBQAED-IIBYNOLFSA-N 452.935 2.780 50 10 JFGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876480 GBPPYRSASQMLQX-DOMZBBRYSA-N 466.398 2.928 50 10 JFGE Cc1cc([C@H](Br)CS(=O)(=O)N2CCOCC2)ccc1I 2207104421 GHTWPZSEONOICX-GFCCVEGCSA-N 474.158 2.698 50 10 JFGE BrCCOCCOCc1cn(C[C@@H]2CC2(Br)Br)nn1 2224800234 FSNQEPPIQSHEAF-VIFPVBQESA-N 461.980 2.712 50 10 JFGE OB(O)c1cc(Br)cnc1Oc1ccc(Br)cc1Br 2231618521 MLDDPAMBCVWEEY-UHFFFAOYSA-N 451.705 2.841 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2340085330 QACVRBMQRGRMJJ-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE N#C/C(=C/c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)C(=O)Nc1ccccc1 15229386 PHFWKHGDVZRNDO-RGEXLXHISA-N 463.494 2.814 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(Br)CC1 703988112 ARNABQLYTNUSJF-UHFFFAOYSA-N 457.390 2.934 50 10 JFGE BrCCOCCn1cnc(I)c1I 716405453 FRXRRAZZKWQMNE-UHFFFAOYSA-N 470.874 2.504 50 10 JFGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 1084253221 QYWABFRHRCMGHV-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2Br)cc1 1446457152 CDBVUICYBMSEPN-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1)C(C)C 1465624734 NLRBNFJQSWVWHX-UHFFFAOYSA-N 450.499 2.801 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2027642391 MJPGYWSOCSLDJH-IAOVAPTHSA-N 469.401 2.744 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 2043320915 TZKOACSTICUSIU-GFCCVEGCSA-N 485.322 2.946 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046024334 ZSOSQNHBFQVMJY-BIENJYKASA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 2112863570 JYSWVVOEYIOWEB-HRCADAONSA-N 451.427 2.516 50 10 JFGE C[C@H]1CN(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cnn(CCCBr)c1 2179786824 GPCQWXQKMLUUID-SJORKVTESA-N 455.422 2.952 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2256622028 BIXUNLAHMVITRG-UPCLLVRISA-N 473.338 2.653 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 2297335843 WMMYVUXUVVDSSN-UHFFFAOYSA-N 464.522 2.965 50 10 JFGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccc(F)cc1 2328808895 NPEMRFFXNASGQY-UHFFFAOYSA-N 476.464 2.979 50 10 JFGE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c1 2329699663 WJLGTTKYCNLNEB-LBPRGKRZSA-N 457.284 2.681 50 10 JFGE NNC(=O)[C@H]1CC[C@H](COCc2ccc(I)c(Br)c2)C1 2377632638 CVKKIBNXPYYJRV-ONGXEEELSA-N 453.118 2.977 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C 9696089 AQSVWPTZBBDXSM-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE CCOc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254503824 GCBCMTDUEMGLIC-UHFFFAOYSA-N 470.529 2.925 50 10 JFGE COc1cc(Cl)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 789910645 MNHCOPIJBDWDDT-UHFFFAOYSA-N 480.702 2.558 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@H]1Br 1942099645 VZCZXZQYZPSTEM-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)CI 1983326534 BHFDJNDZBDIGSP-OLZOCXBDSA-N 458.362 2.963 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222303907 YIBZEHZRIXRXPG-GCUGWZBJSA-N 473.364 2.731 50 10 JFGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccc(B(O)O)cc1 2319283908 FBPYYNIRFMAIHM-QGZVFWFLSA-N 470.334 2.615 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CCCCC1 2324571022 LMTQAKHHYQEUFD-UHFFFAOYSA-N 452.964 2.629 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2N)c(O)c1 58991817 WJKKBMOSUSWDHB-MFKUBSTISA-N 467.599 2.571 50 10 JFGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 256028269 BUXOBEULOCXGIO-UHFFFAOYSA-N 497.602 2.685 50 10 JFGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CN2CCOCC2)cc1Br 1084578986 PPJCWZCTRYTQFY-UHFFFAOYSA-N 457.328 2.682 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1 1200232476 HGKPZGPBUNSZLJ-AEFFLSMTSA-N 454.527 2.903 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852406 VJGJMBGJYYRFHX-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 2085374819 DNGBLIVZEHWNQC-HXUWFJFHSA-N 462.937 2.971 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2273664920 PRUMAVJPMQQDEQ-QXFUBDJGSA-N 457.131 2.762 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC(F)(F)CBr 2301110977 KYTNZUHYHBQZGM-UHFFFAOYSA-N 467.332 2.793 50 10 JFGE C[C@@H]([C@H](Br)c1c(Br)c(Br)nn1C)S(=O)(=O)N(C)C 2316719024 ZSJKTKPREIHJNO-WDSKDSINSA-N 468.009 2.661 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2317670475 DOANZEAXLNZBSJ-XMMPIXPASA-N 470.334 2.573 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(CC[C@H](CBr)O2)C1 2364230006 GUZCIBNOLADUOI-SSDOTTSWSA-N 471.975 2.714 50 10 JFGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 254301394 JHQXYGIATOPEIN-RUFZKQEJSA-N 456.524 2.947 50 10 JFGE Cc1nc(I)c(I)n1-c1nnc(CCl)s1 725538321 YYYAKWUIMWJNFH-UHFFFAOYSA-N 466.473 2.980 50 10 JFGE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 1260503666 KRRAKSKCBHUMDR-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3)cc2OC)cc1OC 1772720790 YKNWFOCRBDLDBU-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744562 FOWLLYWJJTUWCA-UHFFFAOYSA-N 491.460 2.747 50 10 JFGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103924 WFYHMHCRFGMEAV-GOSISDBHSA-N 469.498 2.537 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@H]1Br 1924836243 MKQVEEUSBVSKED-YOEHRIQHSA-N 469.401 2.936 50 10 JFGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1CC(CS(C)(=O)=O)C1 1995354492 VXQMBVBGZOAXNM-QOZQQMKHSA-N 461.362 2.545 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2162601225 LCVXNOOGEUVYEZ-OFQRWUPVSA-N 466.442 2.716 50 10 JFGE O=C(NCCCC(=O)N1CCCc2cccc(B(O)O)c21)OCC1c2ccccc2-c2ccccc21 2269563045 MRRWFQQUKRAJFQ-UHFFFAOYSA-N 484.361 2.965 50 10 JFGE COc1c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(N)=O)c2c(c1OC)OCO2 254759392 MNCBHQAUICNRSJ-CYBMUJFWSA-N 460.874 2.824 50 10 JFGE CC1(C)C[C@@H](Br)C[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703948182 IOERFXGSHIFRAN-KBPBESRZSA-N 457.390 2.934 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 727363819 DWBXZDIFXURMJP-UHFFFAOYSA-N 452.555 2.794 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](Br)CBr 1191134358 KFOHJVUNNRCDBD-QMMMGPOBSA-N 465.989 2.894 50 10 JFGE O=C(NCCCNC(=O)c1cccc(Br)c1)NNC(=O)c1ccc(Br)cc1 1318174238 BIGKPORRNZEHCM-UHFFFAOYSA-N 498.175 2.976 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1Br 1877390781 VQWHTALJFBTLPW-XHSDSOJGSA-N 455.349 2.913 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)CI)[C@@H]1C(F)(F)F 1903070198 SQFVDIGYRYYFBN-DTWKUNHWSA-N 472.267 2.629 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 1926398705 GCCOZZFCVOAJSW-CQSZACIVSA-N 469.401 2.888 50 10 JFGE CC1(C)CC[C@H](Br)[C@@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1927088729 CHYLLOLMBWBUPJ-CJNGLKHVSA-N 457.390 2.792 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C(F)(F)F 2046022195 ICTNEAMLADVSTP-ZUZCIYMTSA-N 489.285 2.504 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780113 VEENAMNORVDLEG-KBPBESRZSA-N 454.431 2.716 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1O 2178905135 BTYFLORPQGTYSO-KOLCDFICSA-N 453.118 2.536 50 10 JFGE O=S(=O)(N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1)N1CCCC[C@@H]1CBr 2179809834 YRRKFLTYNYUDJF-SLFFLAALSA-N 456.450 2.935 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@]2(CBr)C1 2239187029 AJXSFGCNUUWCNG-UTKZUKDTSA-N 499.427 2.515 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2273664918 PRUMAVJPMQQDEQ-NRPADANISA-N 457.131 2.762 50 10 JFGE C[C@@H](COc1c(I)cc(Cl)cc1I)C(=O)NN 2301612132 SDKVHWMPTHBQNO-YFKPBYRVSA-N 480.471 2.554 50 10 JFGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324209629 CKBFCLMQHHQHCT-UHFFFAOYSA-N 469.260 2.996 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC(F)(F)C(F)(F)CCl 2336524848 OKCATYYJXBGADQ-UHFFFAOYSA-N 458.861 2.882 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 13979117 MZHUEKNMRZFNPA-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 16270576 MPKDSGAYUDQKOC-BQYQJAHWSA-N 459.344 2.501 50 10 JFGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40649798 PSGNAYMNABMXHD-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730583315 OUXFPKUOSYNFIV-MRXNPFEDSA-N 487.607 2.658 50 10 JFGE COc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084180219 VKWRMHYWDHNEOB-RUDMXATFSA-N 482.059 2.900 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nnc1-c1ccccc1OC 1472921089 JBHGRFATFWLLGS-UHFFFAOYSA-N 451.552 2.930 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1645576394 AQVHVRNXRBGBKL-INIZCTEOSA-N 454.568 2.526 50 10 JFGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534157 UQPRZMNEKVJXPE-DAYGRLMNSA-N 463.369 2.882 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)CCC[C@@H]1Br 2011550556 AZJYXBYFNLOAMW-WBAXXEDZSA-N 461.353 2.636 50 10 JFGE OB(O)c1ccc(Nc2cc(Br)c(Br)c(Br)c2)nc1 2231632251 FVEAMJXVNAOGQE-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@H]2C[C@@H]2Br)C1 2242012667 RQHDOBCLVYCQFM-KBPBESRZSA-N 462.385 2.742 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248419560 CPERDSHOQDUAMD-QGZVFWFLSA-N 458.323 2.849 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2269550131 UWPFYQPXDUWFOV-UHFFFAOYSA-N 484.361 2.568 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 12570490 RLFUMJUJHQAZGG-UHFFFAOYSA-N 491.367 2.756 50 10 JFGE CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1C 727742937 KFSWSLXFUAJLNB-LTGZKZEYSA-N 469.611 2.679 50 10 JFGE CCN(C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)CI 1983326505 AUIZJWRVXSGBQY-FUNVUKJBSA-N 458.362 2.961 50 10 JFGE CN(Cc1ccc(CNS(=O)(=O)CI)cc1)C(=O)OC(C)(C)C 1983331141 VHKDHKFLVWDJHZ-UHFFFAOYSA-N 454.330 2.865 50 10 JFGE CC(C)[C@@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543083 LWAHOSAEUOZYGJ-YJBOKZPZSA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)NCc1cccc(CNS(=O)(=O)N2CCC(Br)CC2)c1 2162589101 MZZHKQFGHMEXFA-UHFFFAOYSA-N 462.410 2.905 50 10 JFGE CO[C@@H]1[C@H](OC)CN(C(=O)c2ccccc2I)[C@H]1CBr 2233356215 PAWDETYOJPFGOB-XQQFMLRXSA-N 454.102 2.541 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256595380 LHCKPYCDTUZSNU-QFIPXVFZSA-N 493.756 2.917 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)c(Br)s1 2314188047 HFISTVZMBOBJGW-UHFFFAOYSA-N 484.029 2.813 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2320388633 RVCJGZPUFZBANV-VIFPVBQESA-N 490.917 2.720 50 10 JFGE CC1(C)[C@@H](CCl)OCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213297 GEQWDQDTWMCJOE-GOSISDBHSA-N 456.992 2.891 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1I 12491925 YGSNPMZOKMMEAQ-UHFFFAOYSA-N 460.655 2.793 50 10 JFGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623070 KWGMNKLXXHRUNI-KRWDZBQOSA-N 474.355 2.641 50 10 JFGE COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 59463979 BOAPZEFUSRMMBD-AFUMVMLFSA-N 467.547 2.872 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 101619377 MQSPPDVKRZOOCW-LFVJCYFKSA-N 450.451 2.740 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccccc3OC)nnn2-c2nonc2N)cc1 254696025 FKPYQNGKYFOWAG-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE O=C(NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccc(OC(F)F)c1 728544541 FZOAVTIYWWEWIQ-UHFFFAOYSA-N 468.413 2.631 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@@H](C)C2 730468667 FJMXXXWKCWMYNW-QANKJYHBSA-N 470.522 2.999 50 10 JFGE COc1ccc(C(=O)NNC(=O)NC(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 745146248 DVJJCLISORETTF-UHFFFAOYSA-N 485.360 2.611 50 10 JFGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1cc2c(cc1Br)OCO2 1084257438 ZWQUGFQILQIPHZ-UHFFFAOYSA-N 454.664 2.929 50 10 JFGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 1540343053 WPWHUXKGQUHZHW-HPUUJOOBSA-N 452.330 2.603 50 10 JFGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 1540343055 WPWHUXKGQUHZHW-YAFRSCOQSA-N 452.330 2.603 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956878 WEILKZXIUVPXMW-UHFFFAOYSA-N 474.426 2.536 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)C(F)F 1918568715 PGXQKDKYMYETMR-AWEZNQCLSA-N 467.332 2.791 50 10 JFGE C[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106297968 IJENVDZJQUYCSC-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE COC1(CCNS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2167018362 RTZSPCBTVAPXFQ-UHFFFAOYSA-N 463.394 2.886 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179816356 JTBBBYRQFXVIFE-AABGKKOBSA-N 456.450 2.792 50 10 JFGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2248900251 RISLGUNMIAGISQ-INIZCTEOSA-N 478.379 2.924 50 10 JFGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2265306079 NFLAQLPFMPFXKM-QRHJNKNDSA-N 451.427 2.516 50 10 JFGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2302572434 UXVBVBFBAGZSEB-QAPCUYQASA-N 463.369 2.692 50 10 JFGE O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 59226876 OYKHDTUAIVKBNA-POKQCCFWSA-N 497.143 2.603 50 10 JFGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 254311885 MNPSCWXEAMIHFF-UHFFFAOYSA-N 481.530 2.733 50 10 JFGE CC(C)[C@H](OC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N(C)C 729694527 JYPALLREQROBHX-HZBHDWBUSA-N 471.945 2.642 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(OC)c1 730550202 PAPGOECMUIGJLC-LJQANCHMSA-N 455.511 2.827 50 10 JFGE CCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962840 XHMVWQDTTFUYFM-RTBURBONSA-N 465.554 2.605 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 1892231253 LJFYNPKBCQPNFA-QGZVFWFLSA-N 495.395 2.572 50 10 JFGE Cc1nc(I)c(I)n1-c1nccnc1CCl 1936389363 UHJWCOMXAGEZLB-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE O=S(=O)(c1ccc(CBr)s1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123238909 YSGUVDMRZZDBOY-IAGOWNOFSA-N 457.415 2.917 50 10 JFGE O=S(=O)(N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1)N1CCCC[C@@H]1CBr 2179823836 OAXKHURGNADHDP-SLFFLAALSA-N 456.450 2.935 50 10 JFGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851017 WOFYYROGTSYDIE-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 40815080 NGXVMIPZWMPMFS-NCELDCMTSA-N 496.545 2.690 50 10 JFGE COC(=O)c1ccc(Cl)cc1N/C=C1/C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 102675996 QAUPNRDFPKOLRZ-QGOAFFKASA-N 470.913 2.644 50 10 JFGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)o1 109420615 NZRNXOZFAVCUSF-GOSISDBHSA-N 458.534 2.503 50 10 JFGE CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2ccccc2c1 254624967 URAPAMFPKHFLEL-UHFFFAOYSA-N 464.591 2.995 50 10 JFGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)cc(Br)c2O)s1 1084061514 DIAQBQKDQPWOQH-UHFFFAOYSA-N 467.168 2.593 50 10 JFGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc2c1=O 1568384238 DEKMYSIAAJWAFE-GFCCVEGCSA-N 458.927 2.753 50 10 JFGE CC(=O)[C@H]1CC(C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)=NN1c1ccccc1 1632249114 KXGJERRWFVORNK-QGZVFWFLSA-N 454.430 2.647 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1 1865759958 ADPFXUZVCJLPRJ-OAHLLOKOSA-N 458.474 2.511 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](CBr)CC1 1942099878 XIGHGEKBOFQAFG-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC[C@H]2NS(=O)(=O)CI)CC1 1983327438 MOBOUIVPMAAACT-GFCCVEGCSA-N 458.362 2.868 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2106302588 NHLLDFBPBVISQP-PBHICJAKSA-N 452.415 2.612 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)s1 2319284149 IJMRFXMRZZSRQJ-UHFFFAOYSA-N 490.390 2.766 50 10 JFGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321279295 IRKOMDMGEKNSHN-CFNLKKDLSA-N 475.380 2.834 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2364197621 NGOLRQIKYSDQTN-IIBYNOLFSA-N 499.427 2.659 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 10042644 FBKRCRQPCLINJG-PKNBQFBNSA-N 454.552 2.766 50 10 JFGE N[C@@H](CSS[C@@H]1CCN([C@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 257373090 AMPOCARAOGXMMH-FEJPSSIMSA-N 468.572 2.725 50 10 JFGE C[C@H](NC(=O)NNC(=O)c1cccc2cccnc12)c1cc(F)ccc1N1CCN(C)CC1 726279755 ROFXLGAYBDQWHX-INIZCTEOSA-N 450.518 2.831 50 10 JFGE CS(=O)(=O)NC1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843900349 AIWHNCMCNSHWSN-LGMDPLHJSA-N 486.985 2.564 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(c3ccccc3C)CC2)cc1 920848567 FSKPDFZFYLQVBO-OQKWZONESA-N 498.587 2.998 50 10 JFGE C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 1230747052 RZHVUJBBJDMAQI-UHFFFAOYSA-N 452.536 2.755 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1C 1643752952 FGGPURUVTAWFMO-UHFFFAOYSA-N 452.496 2.901 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770658 QWCAHEAPZBZQGN-UHFFFAOYSA-N 475.530 2.853 50 10 JFGE Cc1nc(I)c(I)n1-c1ccc(CCl)nn1 1936388739 PPRXTTIPKJFAJE-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2011127692 DTIRJABIIBNERB-QUWSVYMGSA-N 455.374 2.642 50 10 JFGE COC1(CCNC(=O)N2CCC(Br)CC2)CN(C(=O)OCc2ccccc2)C1 2048734665 CQFLAQZGOQPDQP-UHFFFAOYSA-N 454.365 2.983 50 10 JFGE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cnn(CCCBr)c2)CN1Cc1ccccc1 2179792219 CXJRDSSYUXWENA-AEFFLSMTSA-N 455.422 2.952 50 10 JFGE O=C(c1c(F)cccc1I)N1CCN2C[C@H](Br)C[C@@H]2C1 2282792044 MCZULSABXBTSSS-NXEZZACHSA-N 453.093 2.724 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=C[C@H](Br)C1 2301113568 PRAUWBBPAZHTGA-HNNXBMFYSA-N 455.374 2.808 50 10 JFGE C[C@H]1C[C@H](O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C[C@@H](C)S1(=O)=O 2307473249 XUXKMZYLZLYFRD-ZUWCUPBKSA-N 473.373 2.780 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2316827395 QGBCJRUCECQFQV-NNZMDNLPSA-N 469.401 2.746 50 10 JFGE COC1(CCl)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364201969 MUDGOHKKMWPAKR-UHFFFAOYSA-N 456.992 2.893 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(=O)OC)cc2)c(Br)c1 10455858 YYHBCKCNULSRLY-UHFFFAOYSA-N 494.367 2.513 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 13978552 FEJIVQJJDQODQQ-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)c1 100368037 PMOSWAJTIXMIGV-RMLRFSFXSA-N 456.502 2.535 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 252603697 FTAZTIAFNYPPAC-VOKATDEVSA-N 468.469 2.683 50 10 JFGE C=C(Br)COC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 918948693 CMOOXEKAMASZJF-OQLLNIDSSA-N 459.300 2.793 50 10 JFGE C=CCCc1ccc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1622029795 IWWJTWOHPBRTQE-UHFFFAOYSA-N 452.577 2.603 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 1671437983 FDSDOOFCOHRUGD-BFYDXBDKSA-N 455.515 2.518 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccnc2)CCC3)cc1 1772746493 VWNSLVHBCUTSMW-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687046 IDJMCDULGZWLRT-JOCHJYFZSA-N 453.543 2.539 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)COc3ccc(OC)cc3C(C)(C)C)cnc2s1 1865845166 MDRLUXWMOUQIOF-UHFFFAOYSA-N 472.567 2.553 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](C(F)(F)CCl)C1 1892700909 PNPWJFLJWRLLIP-SJCJKPOMSA-N 452.882 2.537 50 10 JFGE C[C@H](Br)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531685 DBDXKDCATAXILN-SGTLLEGYSA-N 461.353 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CBr 2000534331 VNDZNBUZBSMWBD-ACJLOTCBSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 2041123411 BLZFQNQDDXVZEV-ZDUSSCGKSA-N 479.343 2.887 50 10 JFGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1)OCc1ccccc1 2162587146 QPSLJLOUHKMXNV-WOJBJXKFSA-N 452.960 2.830 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 2179862313 UMNRTCFHYDRCNB-OAHLLOKOSA-N 455.422 2.790 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2255708469 JWNJHHSBTKFAPP-UHFFFAOYSA-N 471.454 2.950 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)C(F)(F)C1 2316689595 BBAUWTMFLGSRHA-BYPYZUCNSA-N 451.891 2.800 50 10 JFGE O=C(NC[C@H]1Cc2ccccc2CN1CCOCCI)C(F)(F)F 2326654995 UFTGNMYDABFEAK-CQSZACIVSA-N 456.246 2.543 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12503439 CTUNRWWTXIKOBE-UHFFFAOYSA-N 460.943 2.711 50 10 JFGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1I 14003185 HADAAQZADSKIIZ-UHFFFAOYSA-N 473.723 2.823 50 10 JFGE CN(C)c1ccc(N2/C(=N\C=C(\C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 102706706 PCQLHOUVUJEOFE-CQOHYYLUSA-N 481.603 2.874 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1OC 106107174 UVDQVPGXZWCCIV-NTMALXAHSA-N 484.578 2.775 50 10 JFGE COc1ccc(N2C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254478256 BJBWQQADKZCSHN-XPPDRLARSA-N 496.614 2.536 50 10 JFGE Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1I 728112182 DOZMBQPGFYISBX-UHFFFAOYSA-N 472.666 2.871 50 10 JFGE COc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 1084621072 RPHRYBSFEDFWJN-UHFFFAOYSA-N 479.320 2.748 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1 1594437761 SNIXRJYFRIPXLX-UHFFFAOYSA-N 450.564 2.693 50 10 JFGE COC[C@@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748449 XZUDKTBEGWXKNM-LLVKDONJSA-N 463.332 2.981 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2004850557 SAOSAVGRPPERTM-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE CO[C@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089701677 VUKDFLFQJRAUAQ-FQEVSTJZSA-N 487.416 2.659 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]1(CBr)CCCOC1 2089701736 WMYCQRAKRRHAMD-FQEVSTJZSA-N 487.416 2.564 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 2108243528 LSOFZXQKZPYMAZ-LIRRHRJNSA-N 487.391 2.838 50 10 JFGE C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cnn(CCCBr)c2)C1 2179787346 NLXXUZOXNFAUOY-KRWDZBQOSA-N 455.422 2.811 50 10 JFGE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1O 2293039645 WRAODWNJUBLCPH-UHFFFAOYSA-N 485.543 2.564 50 10 JFGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 2313892263 IGSSKYFREROQAK-UHFFFAOYSA-N 452.536 2.783 50 10 JFGE C=CCN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 2314397400 KMTUNXBVPXCCBQ-UHFFFAOYSA-N 451.504 2.882 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H]1[C@H]2CBr 2316822884 VKZHBNUVNVWVRA-FHLIZLRMSA-N 469.401 2.888 50 10 JFGE CCn1nc(Br)c(CNCC(F)(F)C(F)(F)CI)n1 2351845773 PEMMNOQMLIFRDU-UHFFFAOYSA-N 459.023 2.856 50 10 JFGE O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 2630362 YUVGKTSUMTWOEL-NUGSKGIGSA-N 451.390 2.902 50 10 JFGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccccc1I 12501559 RIVUTYYIQIDZGW-UHFFFAOYSA-N 489.722 2.659 50 10 JFGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629921 YYRQPICHPCGUQV-AWEZNQCLSA-N 464.316 2.639 50 10 JFGE O=C(NNC(=O)c1ccc(Cn2ccccc2=O)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 29386322 YMGOGPJFFHCKMT-UHFFFAOYSA-N 480.484 2.812 50 10 JFGE Nc1nnc(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)s1 58990263 XFPGUABLTXMDKG-CRKCGEKBSA-N 467.168 2.593 50 10 JFGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)cc1 101604262 SYUPVCFJWUEZEB-LFVJCYFKSA-N 450.451 2.735 50 10 JFGE CCOc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217240029 BVXXUPYOYMDSKQ-ZPHPHTNESA-N 454.552 2.746 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCCN(CCBr)CC1 236263878 VSRBUKBXSSAPIX-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(F)c1 1539976839 TWQFCXZBGIDHBP-UHFFFAOYSA-N 458.453 2.805 50 10 JFGE CC(C)(C)OC(=O)N1CC([C@@H]2CCCCN(S(=O)(=O)CI)C2)C1 1983330782 SJPVRJGIHCNORX-GFCCVEGCSA-N 458.362 2.678 50 10 JFGE CN(C1(CCBr)CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2015859949 PWPIFCGMHHMVSL-QGZVFWFLSA-N 461.353 2.590 50 10 JFGE CC[C@]1(CBr)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2112709773 CCYDHVDSWFSIHZ-FQEVSTJZSA-N 487.416 2.515 50 10 JFGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNS(=O)(=O)N1CCC(Br)CC1 2162589079 MUCSTGAYDZTTPC-OAHLLOKOSA-N 476.384 2.715 50 10 JFGE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163054647 ZEXRKPBVLJXIIT-CABCVRRESA-N 463.394 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](F)C[C@@H](Br)C1 2213904666 WOUXFQGQPCUYBI-KGLIPLIRSA-N 461.353 2.590 50 10 JFGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(I)c1OCC(=O)O 2294168598 ULGNYFAOFLSXEJ-UHFFFAOYSA-N 482.230 2.580 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2301721370 YZPUYYHSILIGLK-QHCPKHFHSA-N 458.323 2.931 50 10 JFGE N#CC(=CNCCCN1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602964 IEJHVCPILJFYNE-UHFFFAOYSA-N 473.621 2.640 50 10 JFGE COC1CC(CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690864 LRQXYRKAFBTUSZ-UHFFFAOYSA-N 459.964 2.617 50 10 JFGE O=C(O)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2343259175 DGLBAHNYKCLJJV-ZETCQYMHSA-N 455.939 2.882 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12485646 UXMZXGSUCQXPPZ-UHFFFAOYSA-N 455.254 2.847 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 13976747 BHOWZHLDDKXSSL-UHFFFAOYSA-N 458.239 2.759 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 39919018 LBEVNHKJNNUOBI-MUUNZHRXSA-N 499.546 2.777 50 10 JFGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NN/C=C1/C=C(Cl)C=CC1=O 136155830 KAXHHCVWUCOVNB-QINSGFPZSA-N 457.943 2.902 50 10 JFGE NNC(=O)C(F)(F)Oc1c(I)cc(Cl)cc1I 310117276 CUYXUHBLYPEOSE-UHFFFAOYSA-N 488.397 2.511 50 10 JFGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)NCc1ccccc1 1083989234 MJPGXDBFCAXJAD-UHFFFAOYSA-N 474.517 2.788 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)NNC(=O)c1ccc(F)cc1 1084575085 APALYNCLTOOJNA-UHFFFAOYSA-N 498.327 2.956 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771210 NBWWTCJGGPGLEN-NEPJUHHUSA-N 485.522 2.522 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H]1CCCC2(CCC2)[C@@H]1Br 1924836242 MKQVEEUSBVSKED-WMLDXEAASA-N 469.401 2.936 50 10 JFGE CC(C)[C@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002412712 IVODXIMTKULIQO-CRAIPNDOSA-N 463.369 2.692 50 10 JFGE NNC(=O)c1nc(CSc2cc(I)ccc2Br)ns1 2338340654 CETKZDXYJPZIDO-UHFFFAOYSA-N 471.143 2.801 50 10 JFGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 3193716 MBRUDHMRUHWHQY-FBCYGCLPSA-N 452.217 2.624 50 10 JFGE C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 9562744 MVAYRWCEHTYRPC-NBVRZTHBSA-N 458.503 2.912 50 10 JFGE NNC(=O)[C@@H]1CC[C@@H](COc2c(Br)cc(Br)cc2Br)O1 110555220 YZUWIJHONMZMTK-XVKPBYJWSA-N 472.959 2.890 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 215727750 FSLKNVJZUZSDSY-WDYCEAGBSA-N 450.630 2.571 50 10 JFGE COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 728086747 XGTMGNMWNYZXQD-MWJIIQFGSA-N 451.479 2.804 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 1084214034 OYZDRFIXQRGNHE-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2006024316 CTXDYOKFYKYTDQ-MRXNPFEDSA-N 455.374 2.642 50 10 JFGE CCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106777291 RHNDLILAJBBMMQ-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2cc(I)ccc2O)C1 2121339372 ZEURHJICNPKPJY-DQPNGWRMSA-N 458.030 2.865 50 10 JFGE O=C(NCCOCCCI)c1cc(Br)cc([N+](=O)[O-])c1 2160286067 LQULUTWUZNDIKI-UHFFFAOYSA-N 457.062 2.929 50 10 JFGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835156 DXYSAIOQAFOHFT-CVEARBPZSA-N 487.416 2.657 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2356241056 ALNZDFOMNZKFNM-FUMNGEBKSA-N 457.434 2.855 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H]2F 2358237171 GDXJVKBZFYTQNW-KBXIAJHMSA-N 470.405 2.559 50 10 JFGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccccc32)c(OC)c1 3018177 ZVRGNIHXGONHIX-STZFKDTASA-N 470.485 2.947 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 9826176 CFBJZPSPNROZBG-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 9826233 MGEFCXSGCKYIEO-UHFFFAOYSA-N 496.383 2.579 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 10294305 DMJFDWKWQOOISN-AWEZNQCLSA-N 451.504 2.729 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571175 VCROGMISSFUSMG-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14660703 QVHIUUDRVQOFQN-UHFFFAOYSA-N 492.557 2.913 50 10 JFGE COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CCl 34834505 ULDNNHLSKXKFQT-UHFFFAOYSA-N 451.974 2.676 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 216742426 MLUOEXUMDOFDOH-SDXDJHTJSA-N 450.495 2.596 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=C[C@H]2CC=CCC2)c1CN1CCC(Cc2ccccc2)CC1 254761891 LHLMZNCSSKQIJZ-FQEVSTJZSA-N 489.584 2.759 50 10 JFGE O=C1NC(=O)[C@H](c2ccc(Br)c(I)c2)[C@@H]1Br 300886475 BKZCCHHCTFFXFL-SFYZADRCSA-N 458.875 2.557 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(I)c(Br)c2)[C@@H]1Br 300916690 VHYYKDHWWRBGBP-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)c1cccc2cccnc12 726273200 ZBMJELIAMGMDSI-UHFFFAOYSA-N 467.551 2.554 50 10 JFGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 1084061627 TYRRWYLGOOBZHB-UHFFFAOYSA-N 473.946 2.856 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccsc3)cc2)cc1 1293453831 KHASAIICKNGRIM-UHFFFAOYSA-N 457.533 2.755 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2033537124 IFUJEBRROGBFLM-JCGIZDLHSA-N 469.401 2.888 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1S(=O)(=O)N1CCC(Br)CC1 2106778482 DNHHWAYZNSFLIX-MJBXVCDLSA-N 454.431 2.809 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)Cc2ccccc2I)CC1 2170227516 ZTIKXIWOTMJYSJ-LBPRGKRZSA-N 451.146 2.761 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2257378915 HWPWNQLMVYCSQY-JOCHJYFZSA-N 473.338 2.653 50 10 JFGE C[C@@H](Br)CCCN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2299506877 IHZBIZFSPGMKAS-FZKQIMNGSA-N 463.369 2.836 50 10 JFGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841957 DIZHFZWRMBPFOA-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C[C@@]2(CBr)CC2(F)F)C1 2379985379 HMKNPBTVYRRPKF-DLBZAZTESA-N 455.340 2.745 50 10 JFGE O=C(CSc1nnc(N/N=C/c2cc(Cl)cc(Cl)c2O)[nH]1)NNC(=O)c1ccc(F)cc1 20923511 APALYNCLTOOJNA-QPJQQBGISA-N 498.327 2.956 50 10 JFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 102855623 BVNVLMYDVXPFSQ-XGHXRCDJSA-N 477.502 2.658 50 10 JFGE N#C/C(=C/N1CCN(c2ncccn2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505089 OQRGFHXXXLGVDK-RWEWTDSWSA-N 493.615 2.940 50 10 JFGE O=C(NN=Cc1cccs1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NN=Cc1cccs1 254405325 UCVSGWFMTQFNIS-UHFFFAOYSA-N 494.518 2.826 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254567803 YCTRAXLWRQMRNO-XPPDRLARSA-N 495.630 2.551 50 10 JFGE O=C(Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 725934296 TVTWQAOYUIVKIY-UHFFFAOYSA-N 462.437 2.683 50 10 JFGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 1637726562 XAOKCKVMHHVVSV-UHFFFAOYSA-N 452.467 2.742 50 10 JFGE COC(=O)c1cccc(CNC(=O)c2cnc(C)nc2C2CCN(C(=O)[C@@H](C)Cl)CC2)c1 1857516993 FDSHNXGWBMZKKU-CQSZACIVSA-N 458.946 2.835 50 10 JFGE O=C(Cc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858956648 ZZLOTTYSNJUBQG-UHFFFAOYSA-N 469.475 2.931 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771345 RRQKQTJKDWBGNR-UHFFFAOYSA-N 462.531 2.968 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CC[C@@H](O)CNC(=O)OC(C)(C)C 1993341836 MBEGHHBBCZMUOR-CQSZACIVSA-N 467.654 2.675 50 10 JFGE CC(C)N(CCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542564 KZEAIKJBPMYBAF-SFHVURJKSA-N 463.369 2.836 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 2170215791 JQBGKIFUUAODJI-JTQLQIEISA-N 453.118 2.538 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2173357963 QVQSNYCKSNIESR-CQSZACIVSA-N 466.442 2.860 50 10 JFGE CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179790375 CWGGSLJESVPJEA-GOSISDBHSA-N 455.422 2.953 50 10 JFGE O=C(Cc1ccccc1I)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201779116 NTJQMLICWWYOSG-DOMZBBRYSA-N 450.114 2.989 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@H](Br)C1 2301120637 LJMDSYOZDPRERK-SYDPRGILSA-N 494.807 2.928 50 10 JFGE CC[C@@]1(CCl)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213459 HCNCFMCGQQEOIL-OAQYLSRUSA-N 456.992 2.893 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)c(Br)c1 13978595 XWIMSOHECZNWMP-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14030141 FLNSREHIHZGDMH-UHFFFAOYSA-N 456.568 2.598 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3sccc3C)nnn2-c2nonc2N)cc1 254866031 VUQRJHWNSNJTAD-UHFFFAOYSA-N 454.541 2.967 50 10 JFGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1c[nH]c2ccccc12 1084242496 HKBHVYWUPMOQEA-UHFFFAOYSA-N 494.449 2.781 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769803 IJXNLYRNLAPKNP-USYSOWRXSA-N 466.563 2.842 50 10 JFGE CSCC[C@@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(SC#N)cc1 1867043378 HHIAZHINEOMJKI-OAHLLOKOSA-N 475.625 2.877 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2084025639 CYQWSBOQKAWVNV-RUGDWHBFSA-N 469.401 2.934 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2084025640 CYQWSBOQKAWVNV-VIBAHUMZSA-N 469.401 2.934 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2256606491 SYIQCDZWYJWJOK-QGZVFWFLSA-N 470.334 2.573 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355687285 YVTCPVNCIIYAKM-YRGRVCCFSA-N 450.114 2.702 50 10 JFGE Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1 12689476 PDMADYVITZFTIL-UHFFFAOYSA-N 499.556 2.935 50 10 JFGE O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14337081 DWADFTLZNFYHLM-OAQYLSRUSA-N 456.527 2.923 50 10 JFGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 59247011 KBAOQSSLFWETHV-BRJLIKDPSA-N 475.929 2.829 50 10 JFGE CCS(=O)(=O)N1CCC(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Br)cc2)CC1 62590043 UEAMSAKLCHBPAX-PTNGSMBKSA-N 492.399 2.676 50 10 JFGE CO[C@@]1(CBr)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959434 YZXLLESHSXXVPX-HXUWFJFHSA-N 487.416 2.515 50 10 JFGE COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCN3CCCS3(=O)=O)c2C)cc1 725761866 XFMHSKKFMZFBPA-HMMYKYKNSA-N 456.568 2.552 50 10 JFGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1860770975 DZXFXMSZJRBJEU-UHFFFAOYSA-N 470.551 2.595 50 10 JFGE C[C@@H](CCBr)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532702 LTUYFESMBJRLHS-SCLBCKFNSA-N 463.369 2.741 50 10 JFGE Cn1cc(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(CCl)n1 2009737196 GOVCXGNPTFRXHC-UHFFFAOYSA-N 470.979 2.901 50 10 JFGE CC1(NC(=O)OC(C)(C)C)CCC(NS(=O)(=O)N2CCC(Br)CC2)CC1 2106305108 LVOVTCDLNUBVNZ-UHFFFAOYSA-N 454.431 2.906 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)c1ccccc1 2179674626 PAABLEPVLOWHQH-MRXNPFEDSA-N 462.410 2.946 50 10 JFGE C[C@H](Br)[C@H]1C[C@@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116990 KWWANJKPONKGSX-XKQJLSEDSA-N 457.390 2.934 50 10 JFGE NNC(=O)c1ccoc1COCc1ccc(I)c(Br)c1 2377634779 OSSLGXKBBZFHLT-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE COc1cc(C(=O)ON=C2C=CC(=NNC(=O)c3ccccc3O)C=C2)cc(OC)c1OC 3124890 VVGIYAPPAOYINC-UHFFFAOYSA-N 451.435 2.843 50 10 JFGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10129729 QEGQNVAVHMLGLD-CQSZACIVSA-N 475.567 2.940 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1OC 40583773 QQNXJORYNBGCCT-UHFFFAOYSA-N 497.468 2.651 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccccc1O 252615405 JRXOUGRZXYISHT-UHFFFAOYSA-N 454.464 2.646 50 10 JFGE CCC[C@H](NC(=O)NNC(=O)c1cccc2cccnc12)C(=O)N1CCc2sccc2C1 727229424 NRSRUFYQJYOPBE-SFHVURJKSA-N 451.552 2.994 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2ccc(Br)cc2)c2ccccc21 1084319444 VMTYLFPUHJALIW-UHFFFAOYSA-N 457.328 2.798 50 10 JFGE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 1260511413 APBUSULNMXETMS-HZPDHXFCSA-N 463.394 2.884 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)OC)c1 1455405858 JSQIUYYPWGLHLZ-UHFFFAOYSA-N 458.521 2.863 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)Cc1ccccc1 1772718845 RDDUYFHASPJXFQ-OTXCQBAASA-N 451.504 2.882 50 10 JFGE O=C(NC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F)OCc1ccccc1 2044256839 HJNGRBGYELINPO-AWEZNQCLSA-N 488.326 2.537 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2048006278 SVLOODURVWYFMY-NKGKWGDASA-N 469.401 2.792 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(CBr)cc1 2163057645 CXVGIELQCYRUOQ-JKSUJKDBSA-N 461.378 2.590 50 10 JFGE CC(C)(C)OC(=O)NCc1ccc(Nc2ncc(Br)cc2B(O)O)cc1Cl 2281672762 FJTZFDOCPZRLKH-UHFFFAOYSA-N 456.533 2.946 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 2296724872 ULMBAZYUTAKFRY-INIZCTEOSA-N 498.948 2.659 50 10 JFGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313568513 WJNVJXUFXYSILG-UHFFFAOYSA-N 493.095 2.601 50 10 JFGE C[C@H](Cl)C[C@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215435 TZEYMQFFDQCVBH-IRXDYDNUSA-N 456.992 2.891 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 13980032 GBFXHBSCMDZCBM-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14027474 IDENAMQIZCEVII-UHFFFAOYSA-N 470.522 2.736 50 10 JFGE O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254835125 VPDFSCBAMWQPGU-YJSXEUPYSA-N 474.429 2.950 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)CI)c1ccccc1 1983327216 JZQRWUAODROMPB-ZDUSSCGKSA-N 454.330 2.907 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)CI)Cc1ccccc1 2007718920 HHSGQKAFHMKRRZ-AWEZNQCLSA-N 468.357 2.824 50 10 JFGE CN1C[C@@H](Br)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2029861830 DIMQYBPMIDYCMU-GHMZBOCLSA-N 487.961 2.861 50 10 JFGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027444 BQCFDXYQIPUTRL-NJSLBKSFSA-N 475.380 2.979 50 10 JFGE CC1CC(CBr)(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2065456056 BCJXDBACQGGVLF-HRJVKACCSA-N 475.380 2.741 50 10 JFGE CC1(C)C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2106304102 BEQMREYUPMBBSJ-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE CN(C(=O)c1cnn(C)c1I)C1(CBr)CCSCC1 2114722593 IUZWZNOMONWUJK-UHFFFAOYSA-N 458.163 2.757 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCN(CCCBr)CC1 2169928525 WAAQRMTYKIUBPH-UHFFFAOYSA-N 453.118 2.540 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H]2OCCC[C@@]2(CBr)C1 2230591283 DKDYNFSZWMGQLC-BXKDBHETSA-N 457.131 2.764 50 10 JFGE CC(C)c1cc(B(O)O)cc(C(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1 2267447362 IGCQSVXIIFDRGE-UHFFFAOYSA-N 452.360 2.752 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2318455094 MIVCMHBMJGEWPS-UHFFFAOYSA-N 482.562 2.524 50 10 JFGE CC(C)(CI)CN1CCNC(=O)C12CCN(C(=O)OC(C)(C)C)CC2 2326667256 HXXGQXBQHYNGKH-UHFFFAOYSA-N 465.376 2.649 50 10 JFGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc(C#N)c(C#N)nc12 101107839 ZYGREXRLWSMHSA-ZSEKCTLFSA-N 465.311 2.599 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 742401278 BJVNQQKRCWONMM-BJLUOBIUSA-N 478.597 2.578 50 10 JFGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1456190650 ZZFHJWCSRDCWRL-UHFFFAOYSA-N 459.955 2.652 50 10 JFGE COc1ccc(C2=NO[C@H]3[C@H]2C(=NNC(=O)c2cc4cc(F)ccc4[nH]2)[C@H]2OC[C@H]3O2)cc1 1565517361 NFOVOJOJPSUICL-PGCKSFNISA-N 450.426 2.576 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860770430 HQDRIJBVSIHIHY-NSHDSACASA-N 466.972 2.561 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)CI)C1 1879992809 ANROUFQLWBQQSY-UHFFFAOYSA-N 466.341 2.830 50 10 JFGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096811 DITOPXLKPSGKRI-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(F)cc2I)CC1 2169358122 KSSOPQJVWXDDFQ-JTQLQIEISA-N 455.109 2.972 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199772734 JQCPHCIGXQRYGD-AYOQOUSVSA-N 499.427 2.657 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)CC12CCCCC2 2217435654 JNXUXNNNFXDUHW-CQSZACIVSA-N 455.374 2.785 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 2314808168 MDXRLFMNHABAKF-UHFFFAOYSA-N 481.461 2.662 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2355844881 FXOCRGQQZGQXMN-IYWMVGAKSA-N 457.434 2.855 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4C3)c2)cc1 17396746 GBOJUJOSFCSLRP-SFHVURJKSA-N 481.530 2.508 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O 27519756 WEEGTVSKCWNLIM-GZIVZEMBSA-N 454.708 2.762 50 10 JFGE COC[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 136841507 RDAKRVKSAYKCGT-MRVPVSSYSA-N 465.989 2.900 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 254305239 BAOLENDRZJVVFN-UHFFFAOYSA-N 475.513 2.518 50 10 JFGE O=C(N[C@@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 721576652 HACYWIQCJFMOLP-PSASIEDQSA-N 474.918 2.946 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC 1138928052 DHNUMUSYSCXABW-CYBMUJFWSA-N 454.911 2.817 50 10 JFGE CC(=O)c1cc(Br)cc(F)c1OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 1307327850 UEHHPHQHSTZHJP-UHFFFAOYSA-N 454.208 2.539 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1873792799 MUMLGHXBYJIJKW-SOAGAIGUSA-N 474.514 2.821 50 10 JFGE CC(C)(C)OC(=O)N(CCCNS(=O)(=O)CI)Cc1cccnc1 2007719580 JCMNMPWNJNAQDG-UHFFFAOYSA-N 469.345 2.521 50 10 JFGE CC1(C)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2013229282 WDIKNZLZYZACTL-MRXNPFEDSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCC2 2046018377 IGWSQBNBDNQNLR-UGSOOPFHSA-N 473.364 2.733 50 10 JFGE CC(C)(C)OC(=O)Nc1cnn2c1N(S(=O)(=O)N1CCC(Br)CC1)CCC2 2163050019 GBFKVQVMTGROHI-UHFFFAOYSA-N 464.386 2.544 50 10 JFGE CN([C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054008 SSWKSHKYWFIBNU-ZSHCYNCHSA-N 466.442 2.953 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2257384844 YESZXJYGBGWFCI-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](OCCBr)C1 2338849433 IJEYGYTXTBYSRT-INIZCTEOSA-N 487.416 2.659 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCOc2ccccc2)c1 13623205 YTCRUHBEGMVBDX-JOCHJYFZSA-N 473.529 2.954 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14662576 QVEGJEZMVBYYHH-UHFFFAOYSA-N 483.315 2.575 50 10 JFGE COc1cc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OC 58979644 VBZABUKOBQICIN-LBPRGKRZSA-N 468.293 2.586 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 96888124 XHSRWIUILVMKMS-ZHZULCJRSA-N 464.522 2.967 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607143 POEFXNFHFFHSMY-LGUFXXKBSA-N 489.488 2.970 50 10 JFGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 703964301 JDLHDWVFUFBXEH-ZDUSSCGKSA-N 457.390 2.792 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)Cc2cccnc2)c(-c2ccc(Cl)cc2)n1 728850830 BQDDJEBJWUTFAE-LDADJPATSA-N 459.897 2.809 50 10 JFGE CCN(CC)c1ccc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1 1084365317 LEHYAGPGAULGCW-CQSZACIVSA-N 458.592 2.525 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cccs2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084504186 UFGJWLRNHANGRZ-UHFFFAOYSA-N 476.500 2.559 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CI 1907614441 HVHYUOMCDRADCG-ZJUUUORDSA-N 486.294 2.876 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 1918925821 BJVPZRYTVDXGTQ-LPHOPBHVSA-N 455.374 2.642 50 10 JFGE C[C@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2001930687 UEVKHUZMYUPIOE-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CN(C1(CCBr)CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2015863754 IGLJSZBXTYJDFP-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106304467 FTBYQFPJJPLODS-HIFRSBDPSA-N 454.431 2.764 50 10 JFGE COCCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2181742619 DJWWJRVEEZKVTH-UHFFFAOYSA-N 483.454 2.970 50 10 JFGE C[C@@H](NS(=O)(=O)Cc1ncsc1Br)c1nnc(CBr)s1 2234489163 JIOBIXAFGGOHQG-RXMQYKEDSA-N 462.214 2.833 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2ccc(B(O)O)cc2C(F)(F)F)C1 2281600145 WRVBBGDMRLOFSZ-UHFFFAOYSA-N 478.276 2.647 50 10 JFGE N#CC(=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 2296846631 IBVVQUYKAUUZHF-UHFFFAOYSA-N 494.555 2.833 50 10 JFGE CCN(CC)C(=O)COc1ccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 2313670570 GNRQZTNKZNTKAV-UHFFFAOYSA-N 465.506 2.894 50 10 JFGE CC[C@H](NC(=O)C(C#N)=CNCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2325086317 CFRSSUHCRCUELB-QHCPKHFHSA-N 452.580 2.977 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1Br 2338863979 QWCIBFXDPAHDLX-CSKJZBPTSA-N 477.919 2.814 50 10 JFGE O=C(c1cc(I)sn1)N1CCCN(CCCBr)CC1 2340831696 HVHXRBGCUJKKML-UHFFFAOYSA-N 458.163 2.681 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Cl 2364208509 JHWBSXHEZMICSW-QZTJIDSGSA-N 454.976 2.691 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CC1(CBr)CC1 2364343261 YDXQJSLAYKPEGL-UHFFFAOYSA-N 494.047 2.882 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc(C)c1 14662940 BFECCWUXQQULDV-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40658444 WMSOHPGPHVOBBQ-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE CCn1nc(C(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)c2ccccc2c1=O 107908422 BFPRSNGQECMINI-UHFFFAOYSA-N 470.533 2.946 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1O 217238074 ODWKTPWZFYQFCC-YPKPFQOOSA-N 462.915 2.525 50 10 JFGE CC(C)(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)cc1 254556070 ZJZLKCYGFWVDEJ-UHFFFAOYSA-N 485.552 2.857 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OCC)cc1 254841793 VQTBAMFTMKWKEF-UHFFFAOYSA-N 476.566 2.898 50 10 JFGE O=C1NC(=O)[C@H](c2cc(I)ccc2Br)[C@@H]1Br 300886452 BHKANBYEUJRIDT-SFYZADRCSA-N 458.875 2.557 50 10 JFGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 725380409 UPSTWPMLMBAPFW-IBGZPJMESA-N 488.544 2.718 50 10 JFGE CC(C)CNC(=O)C(=O)NN=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 1083990468 RWILNWHLVGYCJK-UHFFFAOYSA-N 493.333 2.828 50 10 JFGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)NCCc1ccccc1 1084505415 VUHQMLRNKCJGQP-UHFFFAOYSA-N 464.566 2.713 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccccc2F)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084510244 NPFICBHVSCVKNH-UHFFFAOYSA-N 488.461 2.637 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772080 QBZHAFJSTTXELM-GDBMZVCRSA-N 468.579 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CCC[C@@H]1Br 1942099643 VZCZXZQYZPSTEM-PBHICJAKSA-N 457.390 2.936 50 10 JFGE COC[C@](C)(CBr)N(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233847 YBJJNUYOZFUAPM-IBGZPJMESA-N 475.405 2.515 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(C2CCC2)S(=O)(=O)N2CCC(Br)CC2)C1 2106783085 WOTIFUYVZYGCEB-UHFFFAOYSA-N 452.415 2.564 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)N1CCC(Br)CC1 2163050493 KGVBPMZWIIJUEO-HZPDHXFCSA-N 466.442 2.954 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506236 KERQPYRYINNOII-SJORKVTESA-N 467.376 2.712 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C[C@@]1(C)CBr 2215694424 WVUMWHHRGYIGLT-IBGZPJMESA-N 455.374 2.664 50 10 JFGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259750799 LQPRVRVMMPYYGI-DJJJIMSYSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2360224573 GOUQOJVVAOQCCF-IMJJTQAJSA-N 466.442 2.858 50 10 JFGE N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1840598 JNHBHMUWCIAFGX-JLHYYAGUSA-N 469.508 2.657 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696131 OURZZUXYQOJJPF-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629970 UJSYBFPEDFQKDI-CQSZACIVSA-N 492.370 2.915 50 10 JFGE COc1cc(OC)c(OC)cc1C=NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 19849458 YISRPBREIVLKBB-UHFFFAOYSA-N 460.962 2.634 50 10 JFGE CN1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 694742127 NEHLRYNFVVNUTO-LJQANCHMSA-N 452.418 2.676 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2c(C)cc(C)cc2C)c2ccccc21 1084271639 WGCVLZBGBFSEBY-UHFFFAOYSA-N 450.539 2.726 50 10 JFGE COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)CCCC[C@H]3CCSS3)CC2=O)c1 1860191863 OKVSWDLLIDJHBP-LPHOPBHVSA-N 465.641 2.995 50 10 JFGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539971 NAPZYMIJSSZGMJ-CDHAZOANSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCSC[C@H]1CCBr 2029233745 WWHUXOVEMXTHJY-OAHLLOKOSA-N 489.457 2.985 50 10 JFGE CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106774432 PVOZKZXDNRKJCK-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736799 ZMTYZUBIIIJLFF-UHFFFAOYSA-N 450.524 2.959 50 10 JFGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703958224 NMDLRQSVAHEPDT-GJZGRUSLSA-N 471.417 2.992 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)C1 707407985 CLRGNIGCGOGMIA-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2cccc3cccnc23)s1 729226716 ALGKDFFSTKJERU-UHFFFAOYSA-N 475.596 2.514 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852213 PCYVSDANAQPDHD-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c1 1866131980 WJLGTTKYCNLNEB-VWBIBIBXSA-N 457.284 2.681 50 10 JFGE C[C@@H](CCCl)C(=O)Nc1c(I)ncnc1I 1985800451 GHAXLTAIWGIKKG-YFKPBYRVSA-N 465.460 2.889 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2044854470 SBOHMHFIUZKALP-SMDDNHRTSA-N 483.306 2.508 50 10 JFGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2058221103 QMKGRTXXYJZQJW-SUMWQHHRSA-N 485.322 2.691 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2061794800 MQHCHHRHAZCVSE-AGRHKRQWSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2106777295 RIEWAEAKGJIVEA-SHZVTRLKSA-N 451.438 2.907 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2217355749 XDIHBIPYASAYOQ-ZQIUZPCESA-N 455.374 2.640 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2256679276 VSYQPUNIOSTGSS-GYCJOSAFSA-N 473.338 2.653 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 8766281 IVZJYMLJGZKSSL-LIMNOBDPSA-N 491.367 2.964 50 10 JFGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C1 10736562 FICQCWFZDNMWEN-IAGOWNOFSA-N 468.579 2.920 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(NC(=O)C2CC2)cc1 12500922 VIYVGNIEHYVVPY-UHFFFAOYSA-N 461.341 2.747 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Cl)cc1I 12501660 RWAOIFSIZXBDTL-UHFFFAOYSA-N 489.722 2.903 50 10 JFGE CCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629879 OKJJTJJYFWUELB-AWEZNQCLSA-N 464.316 2.641 50 10 JFGE COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822866 XZUDKTBEGWXKNM-NSGIVPQISA-N 463.332 2.981 50 10 JFGE O[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 196470006 JPYQXENTEBMXQH-UHFFFAOYSA-N 458.709 2.987 50 10 JFGE C=CCc1cc(CNC(=O)NNC(=O)c2cc(Br)cn2C)cc(OC)c1OC 747991804 FEBWGEQWGVINRD-UHFFFAOYSA-N 451.321 2.678 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771253 OKMWSLRUPMYRDX-KBPBESRZSA-N 484.578 2.551 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)C1 1860771328 QRKOVCXFYPOQSC-STQMWFEESA-N 478.530 2.711 50 10 JFGE CC[C@@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542517 KRDDIIBRIPAILS-SCLBCKFNSA-N 463.369 2.741 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1c(F)cccc1I 2282787616 SDWBMZRYNGVQGU-ZJUUUORDSA-N 455.109 2.970 50 10 JFGE O=C(N/N=C1/C(=O)Nc2cc([N+](=O)[O-])ccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 3035522 OCCLLVLWWJIKEX-VXLYETTFSA-N 499.439 2.567 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccccc1Cl 13976932 AVKFWPAJZZANDW-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 58987806 YVVCCSMWHWMZMV-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(F)cc1 59157704 CKJKNXULYXUNKE-SZXQPVLSSA-N 456.433 2.603 50 10 JFGE NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1Cl 725907627 NWJNKJWEUZGUNT-UHFFFAOYSA-N 477.901 2.780 50 10 JFGE C=CCn1c(Cl)c(C=NNC(=O)Cc2ccccn2)sc1=NS(=O)(=O)c1cccs1 729147219 RFQDFTXBIFTLMW-UHFFFAOYSA-N 482.012 2.828 50 10 JFGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 1135322841 MAMIHRBZMBTFEB-JLHYYAGUSA-N 455.458 2.820 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(Br)cnn2C2CC2)cc1 1210519425 ZIRYPKLZAUWDIY-NSHDSACASA-N 450.293 2.803 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3c(F)cc(F)cc3F)CC2)cc1 1456712400 KEMNISYJZXTEJI-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860770782 XEGZQBKOFFCJGQ-RYUDHWBXSA-N 480.999 2.807 50 10 JFGE CC1(C)C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2106294939 BEQMREYUPMBBSJ-CQSZACIVSA-N 454.431 2.716 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2111466740 QVPMOCUFEWJSIW-HCWOTZHVSA-N 487.391 2.836 50 10 JFGE CN(C(=O)OC(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163053250 LTDDKJSSRUQPCR-XYPWUTKMSA-N 466.442 2.953 50 10 JFGE CC1(C)C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2172558361 XLERFTFCJNEXMK-AWEZNQCLSA-N 468.458 2.963 50 10 JFGE COc1cccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)c1 2296024859 SJONGKPVYGBJSS-UHFFFAOYSA-N 454.537 2.967 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 14042213 LELOBGMYKLXHAY-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 254734538 ZLLGRXDLAGRFHK-UHFFFAOYSA-N 499.637 2.588 50 10 JFGE C=CCOc1ccc(C=NNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 1084145615 SBDDILUHNUYEAC-QGZVFWFLSA-N 475.567 2.964 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 1471690820 CDWSDDLDJPYFLU-KRWDZBQOSA-N 457.353 2.801 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(CBr)CC1 2039790275 YSVOOLOQVDFFCN-UHFFFAOYSA-N 475.380 2.838 50 10 JFGE COC[C@@](C)(CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2040258644 DNTQBJYDXSBYRC-LJQANCHMSA-N 475.405 2.562 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CCBr)C1 2046025105 GNKBXMNEAARIKJ-SCLBCKFNSA-N 493.420 2.543 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2060624975 DZVSZSHTTUWGKQ-WAIKUNEKSA-N 473.338 2.653 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1CBr 2179811907 NUBMUJBYWRDUCU-QFBILLFUSA-N 453.406 2.756 50 10 JFGE CCC(C)=NNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1 2296735002 YHNUGHUVEQTJQK-OAHLLOKOSA-N 465.357 2.886 50 10 JFGE CC1(CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2301116374 DVYATKAQLSZRJM-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE CC(C)(CI)CN1CCNC(=O)[C@]12CCCN(C(=O)OC(C)(C)C)C2 2326666360 DPBLJBPXVNBMEP-GOSISDBHSA-N 465.376 2.649 50 10 JFGE CCCn1c(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nc2cc(S(N)(=O)=O)ccc21 15714468 NXAAMMDNMMCSCS-UHFFFAOYSA-N 485.610 2.785 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)c1ccc2ccccc2c1 20835608 CZRKVIWYNDCDRZ-AUEPDCJTSA-N 451.434 2.596 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100242298 YLGZHSGGWLRICW-SZVBFZGTSA-N 452.646 2.795 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1-c1ccccc1 1860769626 BDHWVJDRCFERQE-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE CC(C)C[C@H](NC(=O)/C(C#N)=C/c1ccccc1)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873678818 YAWFHNPSLFFRCX-SOXCDQJVSA-N 458.562 2.932 50 10 JFGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1C[C@H](S(C)(=O)=O)C1 1905171945 RRTBTHHZUPLKIB-LALPHHSUSA-N 461.362 2.545 50 10 JFGE CC[C@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098320 NAJUFRLYZGXFOO-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)(F)F 2046028607 JRNVPBIPTQLYJS-OAHLLOKOSA-N 489.285 2.600 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@]1(C)CNS(=O)(=O)N1CCC(Br)CC1 2106303240 SENIQBILAVWHBK-QGZVFWFLSA-N 454.431 2.860 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 2108228577 AZNBQRKBNQEEQB-YVEFUNNKSA-N 497.333 2.693 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCC[C@@H](CBr)C1)C2 2179811687 JOSRMKGDPATYBY-SLFFLAALSA-N 456.450 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCCC[C@]2(CCl)C1 2239163349 UNOUYZFAJMGLSP-NQIIRXRSSA-N 454.976 2.503 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2243685389 TXYDZKFFHFZYFU-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@H](Br)C2)c(Br)c1 2263380592 FKADLSXIEYCLQN-KBTIHESUSA-N 462.989 2.998 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)c1 10293896 PXIKBZFGFXANIX-UHFFFAOYSA-N 463.515 2.855 50 10 JFGE O=C(CN1CCOCC1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59147271 NLURTMRIUWJEFW-XLVZBRSZSA-N 454.530 2.975 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 254395925 FOYYLEKQGWSNQI-UHFFFAOYSA-N 486.528 2.543 50 10 JFGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096809 DITOPXLKPSGKRI-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539885 CGYJCZCMXDBWDB-SNUQEOBHSA-N 463.369 2.882 50 10 JFGE CN(CC(C)(C)CBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544315 ZCYFSZOGNQKQHT-SFHVURJKSA-N 463.369 2.694 50 10 JFGE C[C@H](Br)[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2019069147 XGLZYHULAPEDNU-GWCFXTLKSA-N 471.295 2.697 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CBr 2046030352 XMJSICGXHUYEEA-NRXGSXMXSA-N 475.380 2.884 50 10 JFGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123284798 SJOQMPDYHSBFQH-CVEARBPZSA-N 457.415 2.917 50 10 JFGE O=C(Cc1ccccc1I)NCC12CC(CBr)(CO1)C2 2159575351 IWVBMTLLKSXEDG-UHFFFAOYSA-N 450.114 2.894 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)[C@]2(CCCOC2)C1 2306801368 FZEKELMAVTXAEG-RHSMWYFYSA-N 454.349 2.586 50 10 JFGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCC(=O)O)c(I)c1 2313567303 INQIBOVFYOEZSD-UHFFFAOYSA-N 479.068 2.512 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c1C 14648995 ZKGNMZBSVMVXEF-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40618816 OGRIOHDNRBUVKD-UHFFFAOYSA-N 493.318 2.684 50 10 JFGE CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)NNC(C)=O)n2-c2ccccc2)cc1 59844886 SVXNQQHUPTWLAW-HNNXBMFYSA-N 454.556 2.926 50 10 JFGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 727473311 KTAMWDCDDQABNF-CQSZACIVSA-N 493.358 2.753 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)c2nc(C)cs2)cc1 727678285 QFMKEBUISQGAOB-DISPHTKASA-N 464.551 2.983 50 10 JFGE COC[C@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313702 ASEHWQFAUBPQPY-UQRWVXEISA-N 499.637 2.794 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1OC 1084583843 FLHSFDCFFDOHPF-UHFFFAOYSA-N 470.555 2.794 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1 1858995141 AKAISGLVCVRURY-UHFFFAOYSA-N 472.470 2.991 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1cc2ccccc2oc1=O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771326 QRKOVCXFYPOQSC-OLZOCXBDSA-N 478.530 2.711 50 10 JFGE O=C(NCc1nnc(CBr)s1)c1cc(I)ccc1O 1877558746 RCSRXGXDNVAKEK-UHFFFAOYSA-N 454.087 2.673 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C(F)(F)F 2043328339 DDXDPZLTNWPPLB-NSHDSACASA-N 485.322 2.802 50 10 JFGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1Br 2048897924 XTTCNJFYHLGJAI-LTGQISBOSA-N 475.380 2.882 50 10 JFGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2109492326 DNGAWFUSLHWNPM-VWLOTQADSA-N 451.438 2.765 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2243684693 FMSLJCGYKQVWRR-GJZGRUSLSA-N 464.352 2.532 50 10 JFGE CC(C)[C@H](Br)C(C)(C)CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2302056436 XZKLYVJKUJLJNK-INIZCTEOSA-N 459.406 2.990 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2330955091 CEWBJKAGDIFRSA-FVINJOMDSA-N 487.391 2.979 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2340085329 QACVRBMQRGRMJJ-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE O=S(=O)(NCC(F)(F)C(F)(F)CI)c1cncc(Br)c1 2361682278 QYRPQTXUAIBXNL-UHFFFAOYSA-N 491.042 2.828 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2364008489 WKCHQLJBAGJZDF-JVXZTZIISA-N 471.975 2.571 50 10 JFGE CC1(C)CC(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])CC(C)(C)N1 40645224 FDNHHZIBPQFQGW-UHFFFAOYSA-N 458.479 2.771 50 10 JFGE CC(=NNC(=O)c1ccc(Br)o1)c1cc2c(cc1NC(=O)CCC(=O)O)OCO2 252632455 VTXAAAHEZRQBOT-UHFFFAOYSA-N 466.244 2.728 50 10 JFGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 1084098322 AGMXKGSJEJTQNT-IBGZPJMESA-N 458.518 2.709 50 10 JFGE BrC[C@H](CN1CCN(c2ncc(I)cn2)CC1)C1CC1 1654442635 HTZFJTOJYHUQKH-GFCCVEGCSA-N 451.150 2.624 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770902 BHHWZMUDTZXOEL-NQCFCXBZSA-N 481.534 2.913 50 10 JFGE CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1860771388 USGYXPAAPIOVSC-ZHACJKMWSA-N 466.563 2.985 50 10 JFGE C[C@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096878 DYQKMULHNBZBMC-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538199 GAMXYBWSIYXKAC-KDOFPFPSSA-N 463.369 2.740 50 10 JFGE C[C@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2018682142 FNNASQKIOPBDKG-IFXJQAMLSA-N 457.390 2.936 50 10 JFGE C=CCC[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2019471936 DZHCTLHNGDEXTP-CQSZACIVSA-N 457.390 2.958 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058373521 KTUXRKJDARMDKC-ZQIUZPCESA-N 469.401 2.886 50 10 JFGE CC(C)(CI)CN1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CO 2306818529 LHGRUWZZMXZAHX-LXTVHRRPSA-N 452.377 2.901 50 10 JFGE C=CCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620545 QGUNIQCBCIZWOI-UHFFFAOYSA-N 468.506 2.822 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2364210720 GEAGKUJCGFFVOJ-KFKAGJAMSA-N 499.427 2.515 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8687408 JPRJMXZXANFYBK-CAPFRKAQSA-N 466.563 2.853 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110366 GROZKKCPFUKZMP-QRVIBDJDSA-N 476.331 2.770 50 10 JFGE O=C(COc1ccccc1Br)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 252625096 QDDYECDXOJHICT-UHFFFAOYSA-N 463.288 2.723 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@H](CBr)C1 703854361 DAUFFQOKOGDZCZ-SSDOTTSWSA-N 452.621 2.864 50 10 JFGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 726276476 ADZZTYARHWABOS-MSOLQXFVSA-N 477.675 2.786 50 10 JFGE C/C(=C/C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccccc1OC(F)F 1617990394 QMJQOXPYKQABNP-QXMHVHEDSA-N 452.483 2.754 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC1(C)C 1949206262 ZLYQCGZBXVTSHD-CYBMUJFWSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 1993245254 BDOCTHZFOCSOMS-ZDUSSCGKSA-N 467.654 2.673 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 2030217730 FLZMSMXOYFYNGD-ZWKOTPCHSA-N 469.401 2.888 50 10 JFGE C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2106778230 BGQHMYWSHWOPPN-ZFWWWQNUSA-N 454.431 2.858 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780115 VEENAMNORVDLEG-UONOGXRCSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163050832 NMVRHHLKNSQXBS-ZBFHGGJFSA-N 466.442 2.812 50 10 JFGE Cn1ncc(C(=O)N2CCC(CBr)(C(F)F)CC2)c1I 2289943640 VJUKFCYNDGYAMO-UHFFFAOYSA-N 462.076 2.907 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2308522409 KXZTVUDZMXQPJF-CPUCHLNUSA-N 469.401 2.886 50 10 JFGE COc1cccc(O[C@H](C)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314796048 RUGQGPBNKSAPAO-QGZVFWFLSA-N 466.490 2.842 50 10 JFGE Cc1csc(CN(C)C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1B(O)O 2319041779 FDQDGQWIYMNOPP-UHFFFAOYSA-N 490.390 2.766 50 10 JFGE C[C@]1(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2327694248 HXJIENSVXKGKPT-BAGFXWCHSA-N 469.401 2.934 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCCN(CCBr)C1 2364015989 VLNFIFGRQSVSAW-QMMMGPOBSA-N 473.007 2.534 50 10 JFGE NNC(=O)[C@H]1C[C@H]1CCCOCc1ccc(I)c(Br)c1 2377632973 JBJNSEPXMZSHTL-MNOVXSKESA-N 453.118 2.977 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2OC)cc1I 14006659 ICORIXWZQJTMNY-LLVKDONJSA-N 470.263 2.537 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 14027352 CFEMQBHLYVSXFA-UHFFFAOYSA-N 465.300 2.539 50 10 JFGE CN1C(=O)[C@@]2(C)CC(C)(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)C[C@@](C)(C2)C1=O 100970291 NGIJHNMUZFSJGV-SFTDATJTSA-N 470.353 2.721 50 10 JFGE O=S(=O)(N[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 323339715 XIEMDHAIXZACOY-DTWKUNHWSA-N 463.973 2.652 50 10 JFGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2C)cc1 725407032 GJMHOVYRBRSKKT-UHFFFAOYSA-N 478.549 2.929 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)C1 730937536 VYDFOFACBFJAEZ-PMFHANACSA-N 499.413 2.553 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OCC 1083898681 JWLHHFSWAQHMMU-UHFFFAOYSA-N 491.566 2.584 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 1084498119 ZZKCTNDTGTZMEH-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccnc(Cl)c3)c(=O)c2c1-c1ccccc1 1860769916 LPCNYGOZTGTXLS-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)CC1CCOCC1 1883292630 MXYZBFFMNUOFJO-INIZCTEOSA-N 487.416 2.562 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(S(=O)(=O)CI)C1 1983327856 QVRQVYLAUTZLBJ-CHWSQXEVSA-N 458.362 2.820 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 2037824529 HGMMZCPKWDXMHE-CQSZACIVSA-N 469.401 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CCBr)C1 2046025103 GNKBXMNEAARIKJ-ACJLOTCBSA-N 493.420 2.543 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)C[C@@]2(CBr)C1 2046800480 BFCOIDDEGATSOS-WOJBJXKFSA-N 469.401 2.746 50 10 JFGE CC(C)(C)OC(=O)N1CCCCC[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299163 VNCMEYDMMBFKJD-HNNXBMFYSA-N 454.431 2.860 50 10 JFGE C[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2115934782 DJZYYGASMAKIJG-ZIAGYGMSSA-N 454.431 2.573 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2120125265 XIKVARKDWMRZNS-PMACEKPBSA-N 487.391 2.982 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506233 KERQPYRYINNOII-DLBZAZTESA-N 467.376 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CBr)C1 2239159481 XPCJUHZFYSNECY-WIYYLYMNSA-N 499.427 2.659 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2317670476 DOCUXVKJRGAHSP-RUZDIDTESA-N 470.334 2.526 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 10455867 ZMRCUMXDJMDRGF-UHFFFAOYSA-N 463.515 2.855 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 12570426 FWIFOZMGWLEWBE-UHFFFAOYSA-N 479.356 2.512 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(F)cc4)c3[N+](=O)[O-])CC2)cc1 40611224 WRZXOBKKTLOKAU-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 103246509 CGUHDTOPOBVTME-QGOAFFKASA-N 466.519 2.939 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4c(F)cccc4F)c(=O)c23)C1 1860770896 BGUJFHIBWORGEU-NWDGAFQWSA-N 460.506 2.812 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 1883275233 RKKZKIVTVVEOCF-HZPDHXFCSA-N 487.416 2.562 50 10 JFGE CC(C)(C)OC(=O)Nc1nc(CNS(=O)(=O)N2CCC(Br)CC2)cs1 2044254087 AOBHRRKETAYKGM-UHFFFAOYSA-N 455.400 2.684 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304958 KNAQGCWNCMEDKL-LSDHHAIUSA-N 454.431 2.906 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 2108228576 AZNBQRKBNQEEQB-SJKOYZFVSA-N 497.333 2.693 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2257374399 SDECKXUHQUQFOI-UHFFFAOYSA-N 470.334 2.526 50 10 JFGE CCN(C[C@](C)(CBr)O[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270094615 JJXTUISOJPDZBI-YOEHRIQHSA-N 457.431 2.838 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2301664401 KEXMICJERKSOKQ-FQEVSTJZSA-N 479.729 2.671 50 10 JFGE COC[C@@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825598 UHYFCCQJSGGQHS-HNNXBMFYSA-N 475.405 2.562 50 10 JFGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](CCBr)O1 2364017690 MSEUYTKDXHRVKT-JGVFFNPUSA-N 473.991 2.960 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCC)cc1 14655093 ZXZBXYGOLTZSLS-UHFFFAOYSA-N 465.300 2.865 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc2c(c1)OCO2 20923501 MNHOPUZUGLUAHK-FOKLQQMPSA-N 487.929 2.576 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 58986954 KHWVMVCCLBDSCY-HZHRSRAPSA-N 453.528 2.708 50 10 JFGE CC(=O)OC[C@@H](OC(C)=O)C1=C[C@@H](C=NN(C(C)=O)c2ccccc2)NN1c1ccccc1 256015758 ZJRYJRBRPBMWNW-GBXCKJPGSA-N 450.495 2.797 50 10 JFGE O=C(c1cccc(F)c1I)N1CCN2C[C@@H](Br)C[C@@H]2C1 721694232 XKEHCJHAYVXOQD-VHSXEESVSA-N 453.093 2.724 50 10 JFGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)c3cccc4cccnc34)cc2c1C 726766438 BDUCZZCEZLJXIY-UHFFFAOYSA-N 470.532 2.953 50 10 JFGE Cc1csc(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248414769 PFBPBYXGPMJJTF-INIZCTEOSA-N 478.379 2.622 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cc(Cl)ccc2B(O)O)C1 2284061829 ZUMZGVKWXHEXSR-DEOSSOPVSA-N 488.777 2.802 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 709832114 MJGORYLPNIVJSV-IUODEOHRSA-N 466.909 2.988 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 1083952425 KUISWBPKNJNALU-UHFFFAOYSA-N 481.530 2.812 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1860771372 SWMVTZROMWKSRF-RYUDHWBXSA-N 485.522 2.522 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 1872960349 CDONZLSZGQRRCA-CVEARBPZSA-N 475.471 2.835 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](C)(CBr)C1 2046024164 YFSQUOHTPMZIBB-OALUTQOASA-N 475.380 2.838 50 10 JFGE C[C@H](Br)C[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027435 BQCFDXYQIPUTRL-CKFHNAJUSA-N 475.380 2.979 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313616958 GISCWSAVXRGRAC-UHFFFAOYSA-N 470.551 2.548 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2320389984 GAWBUJYFOFJFQZ-VIFPVBQESA-N 490.917 2.720 50 10 JFGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011526 HTIMAOYFVSQLDX-UHFFFAOYSA-N 463.559 2.970 50 10 JFGE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NNC(=O)c1ccncc1 33932682 JFSQKRNXZZILBA-RVDMUPIBSA-N 491.392 2.897 50 10 JFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 58989790 BVJOGRJMDRALBC-ZVHZXABRSA-N 499.553 2.997 50 10 JFGE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1OC 1858626770 AHGDMGNRXYVALU-UHFFFAOYSA-N 462.553 2.815 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CC[C@@H](CBr)C1 1942367616 JJPMIQCCTIHKNA-CABCVRRESA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2065387880 BVKADGSQMGFNDS-HUUCEWRRSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2106295077 CWLIBHYQYRXUNB-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE C[C@]1(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2249886227 RGKOQPXTFHFJDJ-VQIMIIECSA-N 457.390 2.936 50 10 JFGE O=C(CNC(=O)c1ccccn1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2296750206 ZJWUVLWLZMMIPL-UHFFFAOYSA-N 497.305 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2330102578 JYSWVVOEYIOWEB-OAGGEKHMSA-N 451.427 2.516 50 10 JFGE OB(O)c1cnc(Sc2cc(I)ccc2Br)c(Cl)c1 2338306383 DTMAOXKXJDYYLH-UHFFFAOYSA-N 470.322 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCO[C@]2(CCl)C1 2364205968 PBVTYYQBFDFTJQ-HRAATJIYSA-N 454.976 2.503 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2I)cc1OC 12493356 NGHLCSRQNNZMDI-CSKARUKUSA-N 452.248 2.783 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1OC 14018196 ZOOKZYHVDALFCI-CSKARUKUSA-N 464.341 2.815 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2N)cc(C(=O)OC)c1 40705802 CWBACFRSBMXQOQ-UHFFFAOYSA-N 470.873 2.786 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1)NNC(=O)c1ccccc1 59815658 HKBNXLNGTIMXRL-ODCIPOBUSA-N 480.337 2.816 50 10 JFGE O=C(NN=Cc1ccc(Br)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252641987 ZHNNFSLGGFBJKZ-AWEZNQCLSA-N 460.737 2.999 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254300679 IEKLYFOFECVSGJ-CGHCUZRCSA-N 487.468 2.800 50 10 JFGE Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(Cc3ccccc3)CC2)cc1 254509302 CWGBMQNIAZNGDV-UHFFFAOYSA-N 499.579 2.760 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)COc1ccccc1Br 1536590228 NEUKGUZNAQSUKQ-SFHVURJKSA-N 458.312 2.940 50 10 JFGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1C(F)(F)F 1538531748 RKDSXOOXWGYIAI-ACCUITESSA-N 455.458 2.820 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851771 IVQBCNUHFUAGPB-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@@]2(CCCO2)C1 1924215900 JVMQUNXDIPTYJQ-IERDGZPVSA-N 454.976 2.645 50 10 JFGE CCN(C[C@@](C)(CI)OCCN1CCOCC1)C(=O)OC(C)(C)C 2007003878 OWIVLDOLJNSCNF-QGZVFWFLSA-N 456.365 2.786 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2COCCOC2)CC1 2024292995 MQYLABBFPJCVQQ-UHFFFAOYSA-N 455.333 2.871 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163059122 QNWBUMUJCJJUBP-HOCLYGCPSA-N 466.442 2.812 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2cccc(F)c2I)CC1 2169363721 MBJLLYVTULTDBT-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876482 GBPPYRSASQMLQX-SWLSCSKDSA-N 466.398 2.928 50 10 JFGE Cc1ccc(C)c(N2C(=O)CSC2=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 2297706252 NUGSYBFWPOCBDZ-UHFFFAOYSA-N 472.592 2.869 50 10 JFGE Cn1ncc(Br)c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2303543839 VSUDELCFNCJBTI-CYBMUJFWSA-N 481.210 2.831 50 10 JFGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1 2313574314 NHVKYALGAGQODG-QGZVFWFLSA-N 470.016 2.982 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2336289849 OIJRIUDJAPPUSF-CQSZACIVSA-N 454.431 2.668 50 10 JFGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 58987927 QMBGHALMXOHIJK-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE O=C(N/N=C\c1cccc(Cl)c1Cl)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891847 ADQZLZJGTAMCDZ-DGKJUAPTSA-N 450.307 2.749 50 10 JFGE COc1ccc(C=NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1CSc1nnc(C)s1 254826207 ZQNKLNPUUDSGOC-UHFFFAOYSA-N 461.529 2.711 50 10 JFGE O=C(NCCS(=O)(=O)c1ccccc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 918229518 HGGKATJUUGPMCY-UHFFFAOYSA-N 489.557 2.957 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 1477019873 OGQKCIBYQPSGAE-AWEZNQCLSA-N 454.483 2.867 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@H](C)Oc4ccc(Cl)cc4)c(=O)c23)C1 1865851984 MDMWEHKKMGTXBK-STQMWFEESA-N 474.970 2.851 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046682540 ILORTTXZZKKNGE-BIENJYKASA-N 475.380 2.694 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134131113 PRDZPECDXSNXCS-STECZYCISA-N 487.391 2.977 50 10 JFGE C[C@@]1(CBr)COCCN(C(=O)c2cc(I)ccc2O)C1 2199825850 VAJZIZDYPOLXSS-AWEZNQCLSA-N 454.102 2.870 50 10 JFGE CCCN(C[C@@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2250562667 KPOOEPSRJPCOJT-FZKQIMNGSA-N 463.369 2.836 50 10 JFGE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCC(Br)CC1 2289801249 YTVDUTTZHMVXGC-AWEZNQCLSA-N 450.374 2.792 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)C[C@H](C)O1 2296732179 FALIPNKTKJLFOC-OALUTQOASA-N 457.534 2.574 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 217229864 YGAKJSRCDFDCJQ-PEZBUJJGSA-N 489.941 2.909 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751438 BYCDFWJOWXVQCO-UHFFFAOYSA-N 476.489 2.847 50 10 JFGE COc1cccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772428 YKCYPHILAABCIW-PLSXKVAHSA-N 452.536 2.767 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851770 IVQBCNUHFUAGPB-CABCVRRESA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCCO1 1926759548 HSUIMZYOBBXLMX-CVEARBPZSA-N 487.416 2.705 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NS(=O)(=O)CI 1983329258 HPTCGGPZYXGPQY-VXGBXAGGSA-N 458.362 2.772 50 10 JFGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2106787435 YYOXMJCCDLCUMP-SANMLTNESA-N 454.431 2.744 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1scc(Br)c1Cl 2246435372 JYTVTKKEEMKYTJ-RXMQYKEDSA-N 452.495 2.870 50 10 JFGE CN(Cc1cc(B(O)O)cs1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248890364 BMEIORYUECOZFP-UHFFFAOYSA-N 478.379 2.704 50 10 JFGE C[C@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 2296532756 XOIWPHPLMWWTBA-GASCZTMLSA-N 459.462 2.655 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2nnn3c2CCC3)CC1 2316920802 HOFASNWAQCNCOM-UHFFFAOYSA-N 462.332 2.946 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2317670351 CBCOQAAQXYQPDJ-DEOSSOPVSA-N 470.334 2.573 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)C2CCC2)nnc1-c1ccc(Br)cc1 59877954 PGBFPLWGTFEJKW-UHFFFAOYSA-N 450.362 2.933 50 10 JFGE Cn1nc(C(=O)NNC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 96600559 OMXQGWAGGYLCNX-SSZFMOIBSA-N 454.486 2.987 50 10 JFGE COc1ccc(/C=C/C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254500201 CTVHGKRAJJDRBH-VRQAPXOMSA-N 482.540 2.934 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1084459162 DALAWOWRWFAVJT-UHFFFAOYSA-N 452.511 2.612 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cc(C(F)(F)F)ccn2)cc1 1611369190 GAPFGHLGBBXDEQ-UHFFFAOYSA-N 458.462 2.847 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1626252383 ZLFXLCKEKCHZRR-HNNXBMFYSA-N 452.442 2.799 50 10 JFGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1916366606 LARXWVATDDZNKI-QGZVFWFLSA-N 495.395 2.525 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Br 2000532131 HKKAKOILTZWOGK-DAYGRLMNSA-N 461.353 2.636 50 10 JFGE CCC[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2008112559 FYRSXNJKSQZLIC-ACJLOTCBSA-N 463.369 2.741 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCC(F)(F)CBr 2012619933 LACXOCDRFIGRMP-UHFFFAOYSA-N 467.332 2.793 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2163051179 QROKUZFKBJBHPI-GASCZTMLSA-N 466.442 2.669 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1cc(Br)ccc1I 2320398038 PJYUWKJQSDUZSH-VIFPVBQESA-N 490.917 2.720 50 10 JFGE CN1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338712196 WPXQKDCLJFDSDL-NKWVEPMBSA-N 480.020 2.805 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1(CBr)CCOCC1 2338851486 ZBZMGZGDTTXYIR-UHFFFAOYSA-N 487.416 2.707 50 10 JFGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1ccc(-c2ccc(F)cc2)[nH]1 254313259 QUXAZBUVXCBJNO-UHFFFAOYSA-N 484.553 2.925 50 10 JFGE C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NNC(=O)CCOc1ccccc1 726192378 ZSHNZKZYSJGHBE-SFHVURJKSA-N 453.543 2.803 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1ccccc1[N+](=O)[O-] 1084178807 ZLXQKFURQTWIKX-UHFFFAOYSA-N 453.371 2.978 50 10 JFGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084288639 TUBTTYJVQHYRIQ-UHFFFAOYSA-N 474.517 2.869 50 10 JFGE COc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 1088659725 RTIYSFQBUVSNRR-LTGZKZEYSA-N 465.531 2.784 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)c1 1154054018 SYOUGXDGOCEIOD-MRXNPFEDSA-N 454.556 2.855 50 10 JFGE C#CC[C@]1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1540360978 LNPXIOWJTNHECX-MZNJEOGPSA-N 459.543 2.793 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1 1562496991 OCIBMFRXGLNVBK-CQSZACIVSA-N 452.471 2.625 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 1885845225 DBPKDCSYDOFHHE-GXTWGEPZSA-N 454.431 2.620 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C[C@@H]1C(F)(F)F 1904642600 MNHAHBOMEDFSMG-WDEREUQCSA-N 452.255 2.825 50 10 JFGE C[C@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1997236391 IESDDMALMRXSQO-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 1997914663 NIGVKPZGSZGWNC-GFOFROLCSA-N 455.374 2.544 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084888800 KGLNEKLJIGYSQG-BIENJYKASA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCCN2S(=O)(=O)N2CCC(Br)CC2)CC1 2163058994 PLRPHARWHSBZSS-UHFFFAOYSA-N 466.442 2.956 50 10 JFGE CN1CCN(C(=O)c2ccc(F)cc2I)[C@@H](CCBr)C1 2202835055 PWNBHHXYVPZVOB-NSHDSACASA-N 455.109 2.972 50 10 JFGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2243911874 XUTMLUMERQNZPT-OAHLLOKOSA-N 464.352 2.534 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CCCCI)C2 2248245486 IZSWLVKUKDSRSV-QGZVFWFLSA-N 454.349 2.540 50 10 JFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 254590278 XQQRDWTVPNZZDI-UHFFFAOYSA-N 471.433 2.789 50 10 JFGE COC(=O)[C@@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721606860 BBAODPTXVKZXIP-QMMMGPOBSA-N 490.917 2.720 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2O)cc1 725410181 CHANWJVWVAPQLS-UHFFFAOYSA-N 467.547 2.785 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1865851940 KWQPMQGVAWYAGS-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)CI)C1 1983327521 NJGQNFOUTFDPCG-GFCCVEGCSA-N 452.314 2.665 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@H]1CBr 2046028979 MMDMLGUEHMOWEX-IFXJQAMLSA-N 475.380 2.980 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCC1 2046035861 SREHDCFFMGWONY-VQIMIIECSA-N 475.380 2.884 50 10 JFGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204524755 IEXQXLAWISHLKP-HAGHYFMRSA-N 457.434 2.855 50 10 JFGE O=S(=O)(CI)Nc1cc(Br)cnc1Br 2209900568 XJTKIHQRMPKSPP-UHFFFAOYSA-N 455.897 2.741 50 10 JFGE COCCN(CCOCCI)C[C@H]1CCCN1C(=O)OC(C)(C)C 2306802363 OGXTZYARWDMDNQ-OAHLLOKOSA-N 456.365 2.786 50 10 JFGE O=C(C=Cc1ccco1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2330193561 AREICEVOVQGFEV-UHFFFAOYSA-N 471.447 2.995 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1Br 12570827 WSWRNBBQBBSNDJ-UHFFFAOYSA-N 477.134 2.763 50 10 JFGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630231 HXAUQPOWSGEGHT-SFHVURJKSA-N 486.594 2.923 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 14657269 DRTYFFJDPKEWCY-UHFFFAOYSA-N 472.567 2.646 50 10 JFGE CCOC(=O)C1=C(COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 32778477 NMYAPFXMKRQJAL-YAECTWJJSA-N 478.505 2.976 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br 58986853 YPJGYQKMMKLDFH-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c1 728260238 FQLWORISNDYQMV-UHFFFAOYSA-N 480.395 2.647 50 10 JFGE CS(=O)(=O)N1CCC(C(=O)NNc2ccc(OCCOc3ccccc3Cl)cc2)CC1 1858080592 HXGAYFWVWUMOQW-UHFFFAOYSA-N 467.975 2.913 50 10 JFGE COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1858956154 KWVWLBFNTIESNN-UHFFFAOYSA-N 499.501 2.940 50 10 JFGE C[C@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942088119 JVNNIEJBBPNOBD-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE CC[C@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542516 KRDDIIBRIPAILS-FZKQIMNGSA-N 463.369 2.741 50 10 JFGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546286 ZFFRQSVOJWKASR-QITLCBANSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2014966326 NPVYQLXLJXTUKB-CRFBAAHOSA-N 455.374 2.546 50 10 JFGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2106303953 ZQAWJQUGVBQHOU-KBPBESRZSA-N 454.431 2.716 50 10 JFGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1O 2206484516 JICMJXOYABRVJO-PWSUYJOCSA-N 452.086 2.812 50 10 JFGE O=C(NOCCCNC(=O)c1cc(B(O)O)ccc1Cl)OCC1c2ccccc2-c2ccccc21 2255498768 VWDBELQJJVQBKJ-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE CN(Cc1ccccc1I)S(=O)(=O)c1n[nH]cc1CBr 2280351152 FKDNRAWLNUPYAC-UHFFFAOYSA-N 470.130 2.730 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=C[C@@H](Br)C1 2301113569 PRAUWBBPAZHTGA-OAHLLOKOSA-N 455.374 2.808 50 10 JFGE Cc1cc(B(O)O)ccc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302689231 FPUIYEMAXUUMED-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852607 PYMXSDWWCJSNHR-GSXCWMCISA-N 487.416 2.705 50 10 JFGE CCOC(=O)C1=c2s/c(=C/c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C 32939098 DMQKSSCUZYZPBQ-NNVROAHOSA-N 457.555 2.518 50 10 JFGE CCN1CCN(c2c(CN(CCOC)C(=O)CCl)c(C)nn2-c2cccc(F)c2)CC1 34831828 DQYPRYZYRKKGSF-UHFFFAOYSA-N 451.974 2.676 50 10 JFGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1 254382965 MBFUJHLWITUKRH-UHFFFAOYSA-N 474.473 2.800 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cccc(OC(F)F)c1 728510779 TZQZKTXOGLWOAK-UHFFFAOYSA-N 451.245 2.682 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2ccc(OCc3ccccc3)cc2)cc1 1633573254 JEKYWWHVZYBVKZ-UHFFFAOYSA-N 453.520 2.890 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1Br 1877396714 LFIDIUAHRIGSJN-CHWSQXEVSA-N 450.374 2.648 50 10 JFGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1 1915296096 QMIVZZWOWIXPDS-QGZVFWFLSA-N 452.436 2.815 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099158 RWIABKAYRHLZDR-CABCVRRESA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CC12CCC2 1949820962 WBRDFCYHSQESDJ-CQSZACIVSA-N 455.374 2.785 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)(F)F 2046025729 LNQYHSDZWJVUSM-ZUZCIYMTSA-N 489.285 2.646 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)sc1Br 2057676421 YSZXCHVUKIWIKS-NTSWFWBYSA-N 482.013 2.563 50 10 JFGE Cn1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(CCl)n1 2179998068 FTSRBOMBBCHTRB-JFIYKMOQSA-N 452.964 2.627 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2227656917 ASXQTCLDDIZTDE-DTORHVGOSA-N 478.000 2.989 50 10 JFGE NNC(=O)[C@H]1CC[C@@H](CSc2cc(I)ccc2Br)O1 2338340414 ZRJDBCHCXSTKPP-WCBMZHEXSA-N 457.131 2.683 50 10 JFGE CCCCOc1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891709 BSARQGLLMWYOTI-PVFDWLMNSA-N 453.524 2.621 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=C(CC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1 254796965 BVGCOGFXQVKZKK-UHFFFAOYSA-N 462.470 2.548 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CCBr 689311724 QTJNUHUYUXPTKR-CQSZACIVSA-N 489.457 2.841 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCC[C@@H](CBr)C1 703972561 FJFMPNWEOMHDSO-CABCVRRESA-N 457.390 2.793 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 703994730 WPCDAICQSSVMIJ-CZUORRHYSA-N 457.390 2.744 50 10 JFGE O=C(NCc1ccc(OCc2ccccn2)cc1)NNC(=O)c1nn(-c2ccccc2)cc1O 918015946 HKAMNCYNFMZVMD-UHFFFAOYSA-N 458.478 2.696 50 10 JFGE C=CC[C@]1(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1466702818 UKSCXYBWBREPKN-OAQYLSRUSA-N 453.561 2.888 50 10 JFGE CCCn1c(CCC(=O)N2CC=C(C#N)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 1630798769 GGBOKBIRJWKSHB-UHFFFAOYSA-N 455.584 2.846 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NCCOCCI)C1 1904646889 NQOKEFGDGVMESS-XCMOZONUSA-N 460.378 2.839 50 10 JFGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531708 DHODNLQQGPAXKF-SNUQEOBHSA-N 461.353 2.588 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2054669308 KGYARSLPVOKHNE-PJIJBLCYSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299615 ZUULLUGIIATABE-HIFRSBDPSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cc(B(O)O)c(Cl)s1 2243377730 GBFLBHKOMZOLEB-UHFFFAOYSA-N 452.769 2.639 50 10 JFGE CN(Cc1ccccc1B(O)O)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257385183 ZFKQKYHOARXLEP-UHFFFAOYSA-N 472.350 2.644 50 10 JFGE CN(CCCBr)S(=O)(=O)N(C)Cc1ccccc1I 2265610037 ORUJMKBCXYYIGK-UHFFFAOYSA-N 461.163 2.685 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)c(F)cc1Cl 2270437572 KCJLQIAPQYETMC-SECBINFHSA-N 464.456 2.948 50 10 JFGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502221 APVQAOBGEZNKRQ-UHFFFAOYSA-N 458.239 2.759 50 10 JFGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623499 LQRLECXDWQVOCC-GOSISDBHSA-N 468.579 2.550 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217191551 OIAWKHFSULEVAF-IIOOQYDGSA-N 472.655 2.591 50 10 JFGE O=C(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NN=Cc1ccccn1 254410902 IECUEPDMLUPKJC-DEOSSOPVSA-N 498.543 2.667 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C3CCc4ccccc43)nnn2-c2nonc2N)cc1 254486282 QYDYCXZOCYSMFY-UHFFFAOYSA-N 458.482 2.769 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1CBr 703991290 SLYGTGJTIYSYSR-XJKSGUPXSA-N 457.390 2.792 50 10 JFGE CCn1c(NNC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)nc2ccccc2c1=O 728858989 HJPIGRAVSVRIGG-IBGZPJMESA-N 454.506 2.523 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC2CCN(C(C)(C)C)CC2)cc1 920853670 DNAFGYKKBSUGBA-XDJHFCHBSA-N 478.597 2.720 50 10 JFGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1564913566 OFVJQXJBJCIBPD-HXUWFJFHSA-N 458.584 2.849 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745534 AZVOXJFHMMMDNA-UHFFFAOYSA-N 479.449 2.943 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)F 1918553635 PXXUKRJTBWIDGY-CYBMUJFWSA-N 467.332 2.647 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2029233025 OENGPZMBZBZGQF-XHSDSOJGSA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2083633283 NGVOPHSQEFKQFQ-JYJNAYRXSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2163051019 PEGSAVRNKCNWHX-KDOFPFPSSA-N 466.442 2.717 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2182451476 TXBPGVXOUPZFBI-DLBZAZTESA-N 470.405 2.562 50 10 JFGE CCN(C[C@](C)(CBr)OC1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 2270095475 SBYAJHRDOBQHEE-KRWDZBQOSA-N 457.431 2.838 50 10 JFGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 2296543656 VOWUAIBDLOYXKA-IBGZPJMESA-N 492.557 2.622 50 10 JFGE COc1ccc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2c1 2328796728 BQIARPVAMWANGS-INIZCTEOSA-N 464.544 2.971 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1I 13981072 RFLPCFDMSWOSAL-UHFFFAOYSA-N 454.264 2.757 50 10 JFGE O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1I 14002120 DKIBUWCHARXZSB-UHFFFAOYSA-N 473.723 2.823 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40647313 FXKYSQUPGJCONK-UHFFFAOYSA-N 475.219 2.951 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 41016637 WRXJAMXBYFSKGQ-SFQUDFHCSA-N 451.435 2.897 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NCc1ccccc1 1084039309 FUXMWKAJCVMDEY-UHFFFAOYSA-N 478.936 2.802 50 10 JFGE O=S(=O)(Nc1nccnc1I)c1ccc(CBr)cc1 1260504178 RWTJBWMAAHDOEA-UHFFFAOYSA-N 454.087 2.777 50 10 JFGE CC(C)C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1873704471 YAWFHNPSLFFRCX-BCSMLWEISA-N 458.562 2.932 50 10 JFGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NCCOCCI)C1 1904642753 NQOKEFGDGVMESS-WVPYVGAHSA-N 460.378 2.839 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106295541 IKGPCZLZMKYUMW-CQSZACIVSA-N 454.431 2.858 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163053251 LTDDKJSSRUQPCR-ZSHCYNCHSA-N 466.442 2.953 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179866165 CNIFSNCSIYVGNS-LJQANCHMSA-N 455.374 2.840 50 10 JFGE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)CI 2306818841 OHBQYTPDUGPWCZ-CYBMUJFWSA-N 453.365 2.505 50 10 JFGE CCCCOc1cccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1 169891783 WURRYJNJXXUASU-NLKUQUHMSA-N 453.524 2.621 50 10 JFGE CCN(C)c1ccc(/C=N/NC(=O)CCOCCC(=O)N/N=C/c2ccc(N(C)CC)cc2)cc1 1615949828 QTQOYYMKSSAZTA-MKYUKRCKSA-N 480.613 2.996 50 10 JFGE C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(C)(C)O 1625361987 AVXCLGTXZWXPIB-NRFANRHFSA-N 451.523 2.778 50 10 JFGE Cc1cc(Cl)ccc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962076 PGIWOPZAWZVRNB-SJORKVTESA-N 455.946 2.778 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2cc1OC 1873794182 XHTFABLIXJYCJL-KIBLKLHPSA-N 479.445 2.827 50 10 JFGE BrCCOCCN1CCN(Cc2ccc(I)cc2)CC1 1921066295 HZZVCWDSFLFMAX-UHFFFAOYSA-N 453.162 2.820 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(F)(CBr)CC1 1995925298 DLQOTEMSZKOKAX-UHFFFAOYSA-N 461.353 2.592 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2068383879 KUCFJWQJKIAPAP-ZTQAJYAQSA-N 469.401 2.936 50 10 JFGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccco1 2172876483 GBPPYRSASQMLQX-WFASDCNBSA-N 466.398 2.928 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201762321 GBPZQCSNTQOBAE-YGRLFVJLSA-N 452.086 2.765 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2314740252 DQQWQGTZEPHCMP-UHFFFAOYSA-N 470.478 2.610 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C[C@@H]1CCOC1 2364231281 XCSDKQAHMDDROQ-YUMQZZPRSA-N 473.991 2.865 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2ccccc2oc1=O 207211554 CMLOVLTZMMMNHP-PDGQHHTCSA-N 460.442 2.787 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 1084425036 WJDRBOCHEFKLRC-IBGZPJMESA-N 455.496 2.555 50 10 JFGE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866803589 RRWXSHRPMRDCSL-SFHVURJKSA-N 491.591 2.974 50 10 JFGE O=C(NN=Cc1cc(I)cc(I)c1O)C(F)(F)F 1923785333 YCUXPVOYDMSSQR-UHFFFAOYSA-N 483.953 2.614 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](CN(S(=O)(=O)N3CCC(Br)CC3)C1)C2 2176937242 NDBJRFLOOCSPFF-KDOFPFPSSA-N 466.442 2.717 50 10 JFGE CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cnn(CCCBr)c1 2179789230 OAABQYOKBZPFIT-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc([N+](=O)[O-])c1O 2318792759 ZXSMTBBTNCMNQK-UHFFFAOYSA-N 479.474 2.898 50 10 JFGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14037113 UDCAMLPTPUTIPF-UHFFFAOYSA-N 466.357 2.952 50 10 JFGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c2ccccc21 100218696 BDEHVIOXACGOLP-BGABXYSRSA-N 482.500 2.529 50 10 JFGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 254301393 JHQXYGIATOPEIN-LBRTZNKQSA-N 456.524 2.947 50 10 JFGE CCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720655 VELLKPADMPXREU-UHFFFAOYSA-N 457.328 2.764 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1OC 1865758323 VCDHJROGJDEEEW-UHFFFAOYSA-N 488.500 2.522 50 10 JFGE C[C@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096884 DYQKMULHNBZBMC-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCSC[C@@H]1CCBr 1942099647 WAHXEHJKJNPVHS-AWEZNQCLSA-N 475.430 2.595 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H](Br)C1CC1 1942841746 IZUUOXWUWVVOLA-INIZCTEOSA-N 457.390 2.792 50 10 JFGE CCC[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2025368870 UCCCPLJWEYMGIB-CABCVRRESA-N 457.390 2.746 50 10 JFGE O=C(Cc1ccccc1I)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146692614 KJCOJZUKWYJIQG-IACUBPJLSA-N 450.114 2.987 50 10 JFGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179830537 MDOFLTASCHJYJS-DXBWTPJFSA-N 457.434 2.855 50 10 JFGE Cc1csc(CN(C)C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)c1B(O)O 2256639691 FFKFLYRHTBOEGF-UHFFFAOYSA-N 460.405 2.912 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268636114 ZGZDUVLDSODPED-FOIQADDNSA-N 476.766 2.765 50 10 JFGE Cc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc(B(O)O)c1Cl 2268655068 HLBLAZSTNMDDGZ-MGPUTAFESA-N 476.766 2.765 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284143990 TXQAFWOYTXIYES-UHFFFAOYSA-N 488.777 2.721 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2301723865 XLRHGMJSZPMROG-DEOSSOPVSA-N 458.323 2.931 50 10 JFGE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1O 20923291 KGDHGKYRZPDAEV-FOKLQQMPSA-N 485.957 2.892 50 10 JFGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 58987924 BQTAAGSKQHOIGC-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1 59948082 NHVKYALGAGQODG-MBOBHEEDSA-N 470.016 2.982 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1OC 254415603 WFVSHYDIZXCDNC-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 1562130380 UEBJSSRSCWOYFD-GOSISDBHSA-N 453.543 2.570 50 10 JFGE O=C1c2ccc(I)cc2S(=O)(=O)N1CC1CC(Br)C1 1887836271 CPFYYINKOZMKCU-UHFFFAOYSA-N 456.099 2.609 50 10 JFGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021074 ZAQHLCRKUSJXMR-BFUOFWGJSA-N 475.380 2.979 50 10 JFGE C[C@@H](Br)C1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046028557 JJXLYVASRIPBSU-YJYMSZOUSA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(Br)C2)C1 2053753979 HISZKTAMFVFMKS-SZSCYUJKSA-N 473.364 2.590 50 10 JFGE O=S(=O)(c1cccc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179820093 UHCZPCWMDHZRMD-PMACEKPBSA-N 451.386 2.855 50 10 JFGE Cc1sc(CN(C)C(=O)CCN(Cc2ccccc2)C(=O)OC(C)(C)C)c(B(O)O)c1C 2256678394 DFNRTAIMUIEEOI-UHFFFAOYSA-N 460.405 2.831 50 10 JFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(-c2ccccc2)cc1 13630126 HBHHSJZQYJAIOD-IBGZPJMESA-N 462.531 2.631 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccccc1Cl 13976910 BZIJVOYSZWAWMS-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 16271208 AKEFSPMHUXGWFN-CQSZACIVSA-N 455.312 2.755 50 10 JFGE COc1ccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3ccc(OC)c(O)c3)c2C)cc1O 254305501 GPPAQOPLDDYCSB-UHFFFAOYSA-N 479.493 2.588 50 10 JFGE COc1ccc(-c2noc(CNC(=O)CC(C)=NNC(=O)COc3ccc(C)cc3C)n2)cc1 254397005 LYSKWQJTDYKZNP-UHFFFAOYSA-N 465.510 2.939 50 10 JFGE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2F)CC1 1858628437 FZDDHJNBSLQLJE-UHFFFAOYSA-N 473.866 2.901 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)CC1CCCC1 1926792701 SRWUKHDZJZDDKB-HNNXBMFYSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)CC1CCCC1 1926792702 SRWUKHDZJZDDKB-OAHLLOKOSA-N 457.390 2.936 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CCBr)C1 2046025104 GNKBXMNEAARIKJ-FZKQIMNGSA-N 493.420 2.543 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1csc(Br)c1Br 2057670820 TVERMCBAQGEDGU-WDSKDSINSA-N 482.013 2.563 50 10 JFGE CN([C@H]1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163053039 JWMQDSPOCQQFSV-IMJJTQAJSA-N 466.442 2.810 50 10 JFGE O=S(=O)(N1CCN(Cc2ccccc2)CC(F)(F)C1)N1CCCC[C@@H]1CBr 2179808023 CJOIKRANSFAOFV-QGZVFWFLSA-N 466.392 2.934 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179832143 HARJQPLNPIAKSJ-ZCNNSNEGSA-N 457.434 2.857 50 10 JFGE Cn1ncc(C(=O)NC[C@]2(CBr)C[C@@H]2C(F)(F)F)c1I 2192580342 MEVRTPVYSHCDKE-OIBJUYFYSA-N 466.039 2.718 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@H]2CCO[C@@]2(CBr)C1 2239890162 IAZPFDCDYUJWOB-OTYXRUKQSA-N 452.086 2.623 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1OC 2317657661 FFZOSHONSCYKBV-JOCHJYFZSA-N 474.322 2.631 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2325890632 XXMYOBZKMNCMHI-UHFFFAOYSA-N 481.515 2.956 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 14660672 HIIKKMMQBATUAG-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(O)cc1 254502237 YZBICVKJSJSQLL-UHFFFAOYSA-N 464.511 2.775 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F 1252479357 LHGQYGOCYPKWQH-OAQYLSRUSA-N 457.937 2.696 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1 1463646807 FGKLRLNIPKVGLU-UHFFFAOYSA-N 453.545 2.990 50 10 JFGE CCOc1cc(C(=O)NNC(=O)Cn2cnc3sc(CC)cc3c2=O)cc(OCC)c1OCC 1860769708 FDYACCUHSSVOKP-UHFFFAOYSA-N 488.566 2.678 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757057 LDGUPAWZNRVDDW-UHFFFAOYSA-N 458.474 2.513 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866580732 XFPCGMJODSZENW-JXFKEZNVSA-N 475.567 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@](F)(CBr)C1 1917122369 FIUHTHJHUAHCEJ-SFHVURJKSA-N 461.353 2.592 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(F)(F)F)CCN1S(=O)(=O)CI 2007719188 HVHYUOMCDRADCG-UWVGGRQHSA-N 486.294 2.876 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CN(C)C[C@H]2Br)cc1Br 2146526270 UXDHMZLMQCYKLB-MNOVXSKESA-N 491.043 2.876 50 10 JFGE O=C(Nc1ccc2c(c1)CN(S(=O)(=O)N1CCC(Br)CC1)C2)C(F)(F)F 2163056758 VJQVVCVFQXUXJG-UHFFFAOYSA-N 456.284 2.607 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CCCC[C@H]21 2179458538 NGFSVODQNUIQOS-OWCLPIDISA-N 466.442 2.858 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC2(CCN(Cc3ccccc3)CC2)C1 2179867364 VCMREWJJGQESCI-UHFFFAOYSA-N 453.406 2.981 50 10 JFGE CC(C)(C)OC(=O)N1CCC(N(CCCCCI)CC(N)=O)CC1 2214705122 NRBLSYYWQPZWGA-UHFFFAOYSA-N 453.365 2.779 50 10 JFGE CC[C@@H]1CN(c2ncc(Br)cc2B(O)O)[C@H](CC)CN1C(=O)OCc1ccccc1 2240334368 VVAXPVBHBBLYMG-QZTJIDSGSA-N 476.180 2.540 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2256602238 WWHFBQAWQRDSQP-VWLOTQADSA-N 472.350 2.546 50 10 JFGE O=S1(=O)C[C@@H](I)[C@H](OCc2c(F)cc(Br)cc2F)C1 2271572829 ZJXLXMVFVJPBQE-GHMZBOCLSA-N 467.069 2.845 50 10 JFGE Cn1cc(I)c(CNCC(F)(F)C(F)(F)CI)n1 2319224475 CZKKMQLEGVEFQG-UHFFFAOYSA-N 491.008 2.820 50 10 JFGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 2325141336 WZRLRDOKZKUMIQ-NRFANRHFSA-N 468.579 2.876 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC(C)(C)[C@@H]1CBr 2364231474 ZMEHRKKWQDZFQM-ZETCQYMHSA-N 473.991 2.960 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460488 KDOZOEKJAXVKCE-UHFFFAOYSA-N 463.943 2.550 50 10 JFGE C/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 13138682 KKLSCGHXHUCELG-KQWNVCNZSA-N 494.411 2.943 50 10 JFGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 14037107 FSXIFMXSALMIOW-UHFFFAOYSA-N 472.567 2.929 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)cc1 254400392 LRAYKLJKQCAICQ-UHFFFAOYSA-N 492.496 2.557 50 10 JFGE Cc1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726157188 QPVNVJSUXDBKLN-UHFFFAOYSA-N 481.557 2.725 50 10 JFGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)CC1 758659411 UKTUBRIEKUHSNZ-QJOMJCCJSA-N 475.593 2.846 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(OC)c1 1084413643 WAPDSSSQJBFWGG-UHFFFAOYSA-N 497.529 2.748 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852212 PCYVSDANAQPDHD-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](CBr)C1 1942099908 XUJDHTBWNXVFBG-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1Br 2002521518 DRGQQFDQQBYIJB-JJRVBVJISA-N 457.390 2.934 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCCN(CCBr)CC1 2169666163 YHCVRTIGGSIDPI-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2268628303 GBLKXTLILFQUGK-AREMUKBSSA-N 486.377 2.888 50 10 JFGE COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCC(Br)CC1 2289801250 YTVDUTTZHMVXGC-CQSZACIVSA-N 450.374 2.792 50 10 JFGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885316 XDVAMLDTKAMYKP-AWEZNQCLSA-N 482.562 2.776 50 10 JFGE Cn1ncc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2336542999 DUAWKYWCSSWERC-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CCl)C1 2364205971 PBVTYYQBFDFTJQ-KKSFZXQISA-N 454.976 2.503 50 10 JFGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 33851519 QXNSHMPLCYDLEL-UVQBRAAOSA-N 498.948 2.659 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCN2C[C@H](Br)C[C@H]2C1 405252854 DTCSRFIWZHVBKG-KOLCDFICSA-N 453.093 2.724 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OC(C)(C)C1 703967723 SCIKLMBGHCWLFR-CQSZACIVSA-N 487.416 2.513 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)c(OC)c1 730752297 XEWMIUGDTHQBAT-UHFFFAOYSA-N 451.817 2.950 50 10 JFGE CC(=NNC(=O)c1ccccc1Br)c1ccc(OCC(=O)N2CCOCC2)cc1 916247735 WVKPVUWETCMTPF-UHFFFAOYSA-N 460.328 2.841 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1)NNC(=O)c1ccc(F)cc1 1084242418 FRTALAWIPWQEDX-UHFFFAOYSA-N 479.497 2.802 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851982 MDMWEHKKMGTXBK-OLZOCXBDSA-N 474.970 2.851 50 10 JFGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1916333972 APXNTXUYOWWINX-SFHVURJKSA-N 464.971 2.759 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@@H]1Br 1924836241 MKQVEEUSBVSKED-RHSMWYFYSA-N 469.401 2.936 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1 2022917745 SMSFXDFLSKVXFS-OYOVHJISSA-N 479.665 2.675 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2057708048 LJQJYZUENAGBMR-RSJDLPBQSA-N 491.344 2.511 50 10 JFGE CN([C@H](CCBr)C(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2058221100 QMKGRTXXYJZQJW-CXAGYDPISA-N 485.322 2.691 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)C[C@@H]1c1ccccc1 2065729119 QZMCSHFWYUGDBO-LSDHHAIUSA-N 480.368 2.949 50 10 JFGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2086023444 FWNMWQNQHCWRDS-DOXZYTNZSA-N 475.380 2.882 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OCC1(C)C 2111235399 BLFOWPZRCOMKNE-CQSZACIVSA-N 487.416 2.513 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2162199381 LJFFHGOEPMKKIF-UHFFFAOYSA-N 466.392 2.934 50 10 JFGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2243911873 XUTMLUMERQNZPT-HNNXBMFYSA-N 464.352 2.534 50 10 JFGE O=C(O)/C=C/C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12491562 IJVQOWDRWCKWEQ-AATRIKPKSA-N 472.089 2.532 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCO[C@@H](CBr)C1 122240014 OSTQZLMLLRMICO-VIFPVBQESA-N 478.000 2.996 50 10 JFGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2C1=O 207423039 TXSVZZIMBWZGHU-MJSCBBHESA-N 458.474 2.871 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2 254291365 QFYDDBOPGYUCRZ-GFCCVEGCSA-N 457.508 2.867 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)C1 707407988 CLRGNIGCGOGMIA-CQSZACIVSA-N 457.390 2.746 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084562070 WNEPBVLYRXHRTB-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 1622886686 PLVJJCBPSFVCHI-UHFFFAOYSA-N 453.524 2.816 50 10 JFGE C[C@H](C(=O)NNC(=O)CCC(=O)c1cccs1)n1cnc2sc3c(c2c1=O)CCCC3 1860772251 WPCYPORCSJNPJI-GFCCVEGCSA-N 458.565 2.770 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CBr)C[C@H]1C(F)(F)F 1877512137 ASUFGPNOIWURBS-RHSMWYFYSA-N 497.333 2.946 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@@H](Br)C1 1942094753 IWSNZZUMELHMGL-HUUCEWRRSA-N 457.390 2.936 50 10 JFGE CN(C)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1Br 2089924285 UQKLAAKFSZQBFA-SVRRBLITSA-N 452.621 2.862 50 10 JFGE COc1cc(C=NNC(=O)CCc2nnc(O)nc2O)ccc1OCc1cc(C)ccc1C 2323177890 FKJZMJOGIPZVTN-UHFFFAOYSA-N 451.483 2.570 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14020732 JQBDRTJXMQUIOP-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccco1)CCC2 101606608 GSYWPWRVVHJASV-BUVRLJJBSA-N 450.451 2.735 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1OC 107978036 MEGZKHTVABWYNE-BENRWUELSA-N 457.552 2.941 50 10 JFGE Cc1ccc(-c2c(C(=O)NN=Cc3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)cc1 254365572 ZMCNADGFUPRWIE-UHFFFAOYSA-N 456.388 2.991 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C#N)cc1 254383990 IIIPLJXFIDYVAL-UHFFFAOYSA-N 473.522 2.859 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 746181205 SAUXTWYNTDEXDB-UHFFFAOYSA-N 476.507 2.501 50 10 JFGE BrC[C@@H](CN1CCN(c2ncc(I)cn2)CC1)C1CC1 1654442638 HTZFJTOJYHUQKH-LBPRGKRZSA-N 451.150 2.624 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956851 VDYVSABFLMIKDY-UHFFFAOYSA-N 499.457 2.731 50 10 JFGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC[C@H]1C[C@@H](S(C)(=O)=O)C1 1905176915 RRTBTHHZUPLKIB-TYNCELHUSA-N 461.362 2.545 50 10 JFGE O=C(NCCOCCCI)c1csc(I)c1 1976717245 GGUYOGBGPUQPMI-UHFFFAOYSA-N 465.094 2.924 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)c2ccccc2C1 1983326856 FZPKJIQNDFCQDY-UHFFFAOYSA-N 452.314 2.966 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122790324 NCXLXRCCMWDOEL-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(O)(C#N)CC2)CCN(Cc2ccccc2)CC1 2124189546 UWCAJHZIDBWINM-UHFFFAOYSA-N 456.587 2.813 50 10 JFGE O=S(=O)(NC[C@]12CCC[C@H]1CN(Cc1ccccc1)C2)N1CCC(Br)CC1 2162209617 OGHBNZSBTLAPRX-ICSRJNTNSA-N 456.450 2.982 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2317672110 TZOGKPLILSFWKB-RUZDIDTESA-N 470.334 2.526 50 10 JFGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338683544 CXHDVGSAOSAVMS-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@@H](CCl)CO1 2364204578 FCSHFYNXEQTIKB-DLBZAZTESA-N 456.992 2.796 50 10 JFGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)Nc1nccs1 2622050 SAMXIIBQKHBWIM-SSZFMOIBSA-N 470.532 2.970 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)c2ccccc21 24319986 JIHZWTSJWAPFQC-UHFFFAOYSA-N 462.959 2.983 50 10 JFGE COc1ccc(N2C(=N/C=C(/C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254478254 BJBWQQADKZCSHN-PQPXJSIUSA-N 496.614 2.536 50 10 JFGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254825179 FPTZCEWHXRFJLC-UHFFFAOYSA-N 480.433 2.686 50 10 JFGE CC1CCC(CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703973169 KOVFGXMCCSKSTC-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 726312327 GGTQUFMBRNVAHM-LIRRHRJNSA-N 494.967 2.903 50 10 JFGE COCCn1cc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 1084588464 QRKMMKIBZJOGIL-UHFFFAOYSA-N 490.593 2.965 50 10 JFGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=S)Nc2ccccc2C(C)C)s1 1155964467 OSOWTBNKVYOBSN-UHFFFAOYSA-N 452.627 2.896 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1449363592 SWZIAIWVDGQUOI-QUCCMNQESA-N 456.543 2.745 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNc3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2C1=O 1466234968 YPGWJKRHEJQEOK-UHFFFAOYSA-N 453.398 2.519 50 10 JFGE CC(C)Oc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770116 UILKSHATUHRAPL-CQSZACIVSA-N 454.552 2.831 50 10 JFGE C[C@@H](C(=O)NNC(=O)Cc1cn(C)c2ccccc12)n1cnc2sc3c(c2c1=O)CCCC3 1865851952 LHEIICHQSPSUQY-AWEZNQCLSA-N 463.563 2.780 50 10 JFGE CCN1CC[C@@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2007644811 ROXJQAVKHJAOLA-CBAPKCEASA-N 451.149 2.608 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2027642393 MJPGYWSOCSLDJH-RRQGHBQHSA-N 469.401 2.744 50 10 JFGE CC(C)(C)[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2046418037 AHRQETSNFOUSJW-CABCVRRESA-N 471.417 2.992 50 10 JFGE CC(C)(C)OC(=O)N1CCN(c2ccccc2NS(=O)(=O)CI)CC1 2062770123 YDIAYFJDYIILOO-UHFFFAOYSA-N 481.356 2.878 50 10 JFGE CC(C)(C)OC(=O)NCC12CC(NS(=O)(=O)c3ccc(CBr)cc3)(CO1)C2 2162590859 GBHCCQYKGWLFQJ-UHFFFAOYSA-N 461.378 2.686 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179819640 NZDPBTDVMKTJAE-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE C[C@]1(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2249886226 RGKOQPXTFHFJDJ-QFBILLFUSA-N 457.390 2.936 50 10 JFGE C[C@H](Br)CCCN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2299506878 IHZBIZFSPGMKAS-SCLBCKFNSA-N 463.369 2.836 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(C)cc2)cc1 2313739328 ZYRSFUGNEBXLSI-UHFFFAOYSA-N 455.536 2.676 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 10154450 PJZYBSQGTZKFMY-QGZVFWFLSA-N 459.568 2.822 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c2ccccc21 27136273 YSBXCSGIWFZMSM-UHFFFAOYSA-N 473.514 2.814 50 10 JFGE COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 34856021 WBHUVLUVRNQIBD-NVMNQCDNSA-N 455.208 2.981 50 10 JFGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1 40794999 MVGWEILLDAOINQ-UHFFFAOYSA-N 475.553 2.613 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)Cn3nc(C)cc3C)cc2OC)cc1 254821928 QPFDOCALFDJVLM-UHFFFAOYSA-N 465.510 2.685 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1OC 725396599 MAIJTVWDTDGGEJ-UHFFFAOYSA-N 457.508 2.951 50 10 JFGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1 1084533694 APTXIVFUERZHGJ-HNNXBMFYSA-N 469.235 2.869 50 10 JFGE CC(=O)c1c(C)cc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 1219969094 XTLCVZFVTZSCIA-UHFFFAOYSA-N 458.540 2.757 50 10 JFGE Cc1c(CCl)c(-n2cnc(I)c2I)nn1C 1987718667 ZXBRCBCNQKXGMY-UHFFFAOYSA-N 462.460 2.862 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889515 YQMHZBHONMLNJR-UXHICEINSA-N 456.450 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CC[C@@H](Br)C2)CC1 2250501422 SIQPHCWRFLHOEF-CQSZACIVSA-N 455.374 2.642 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2317670417 CXXZDTMSSJVQNN-HXUWFJFHSA-N 480.276 2.900 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2339936814 AULULESODNDXLP-SANMLTNESA-N 484.361 2.568 50 10 JFGE CC(C)C[C@@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2353832782 VEJAWOCCQMEVNW-HRCADAONSA-N 453.443 2.762 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C[C@@H]1C(F)(F)F 2361445637 CFMZJDWNSJPUDF-KHIZAZIESA-N 470.872 2.975 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)c1 12571093 MDVFLMTZUSELOC-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 13979119 XUSOBNGKIRHLFT-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1C 14662948 SXMLYYHQLAXOAP-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 20923303 AJCSGPAVJNFPAP-SSDVNMTOSA-N 472.962 2.523 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1 40628055 QBMQLRIZHYZRCU-UHFFFAOYSA-N 499.553 2.845 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)C1 1860769957 NDPMYMAHZYFECG-HNNXBMFYSA-N 463.563 2.775 50 10 JFGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)cc1 1865757748 SDOYHPYDCKGESY-UHFFFAOYSA-N 452.536 2.691 50 10 JFGE COc1cccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674346 VBFNZLUHKXXUMF-FQEVSTJZSA-N 466.519 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCCBr)Cc1ccccc1 1914649821 UWSMOSHHYFIORI-UHFFFAOYSA-N 465.369 2.900 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2108231054 MZVKBLDXHSDKEK-KZDUYQQSSA-N 487.391 2.836 50 10 JFGE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162591241 JDAGXGZTEIIFMM-XHSDSOJGSA-N 463.394 2.931 50 10 JFGE Cc1csc(C(=O)O)c1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181751330 UVPBVNSMFOPBME-UHFFFAOYSA-N 456.633 2.939 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2256622027 BIXUNLAHMVITRG-GYCJOSAFSA-N 473.338 2.653 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccco2)c(Br)c1 13979162 DVNXUQXYJHKWLJ-SOFGYWHQSA-N 452.330 2.719 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 14021995 DUFSQCBZSQCCJJ-LFYBBSHMSA-N 459.499 2.507 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cccc4ccccc34)CC2)cc1 252627226 RPFBJVLQZHTTLK-UHFFFAOYSA-N 450.564 2.605 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254556362 NGADVDPUWAXYHM-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254735620 NWQNHAIFSVAZKS-UHFFFAOYSA-N 481.530 2.651 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](C)C1Br 703966251 DYZHYDSMHRMNKB-KBPBESRZSA-N 471.417 2.990 50 10 JFGE NC(=O)c1cccc(CCNC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 726717712 BDWACFNBJLVHKT-UHFFFAOYSA-N 450.470 2.690 50 10 JFGE O=C(CCc1nc(-c2ncccn2)no1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727704893 CDKWIKWDQPBYFR-UHFFFAOYSA-N 462.441 2.639 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(C(=O)O)cc1 1084501312 CFCGFOFKAAOWMB-UHFFFAOYSA-N 465.531 2.769 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ncncc3Cl)cc2)cc1 1556214887 HLTWKOLVBINWML-UHFFFAOYSA-N 459.915 2.568 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCC[C@H]1CCBr 1942994846 PYPJSKXHJTVFTA-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE CN1CCC[C@@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2007642952 GNLWPDMTRIMNKW-CBAPKCEASA-N 451.149 2.608 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C12CCC2 2046028663 KFXRVEHVVWXBNW-CRAIPNDOSA-N 473.364 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](CBr)C2(CCCC2)C1 2054783918 VFSZAQJGUWLHJS-HNNXBMFYSA-N 469.401 2.890 50 10 JFGE CCCN1CCC[C@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2145775844 HSPYIESDTMXNQO-MNOVXSKESA-N 476.178 2.665 50 10 JFGE O=S1(=O)C[C@H]2C([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]2C1 2174597528 QJMLTOIQEHPYLL-WZRBSPASSA-N 469.138 2.953 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCCCI)C1 2248249389 LKTFBTLRDJDPKF-AWEZNQCLSA-N 453.365 2.555 50 10 JFGE C[C@H](c1nscc1B(O)O)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256597311 GEYUKTFZIFGFIQ-MRXNPFEDSA-N 461.393 2.560 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 10296134 GWDSRTLYOKGKAY-OAHLLOKOSA-N 473.551 2.755 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 13976844 BSXLAXHLXJMWFO-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811591 KQNJMROCVWTHML-NLRVBDNBSA-N 458.946 2.774 50 10 JFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1O 254743262 WIUXOWHURNUALK-UHFFFAOYSA-N 485.493 2.648 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)O[C@H](C)C2 730649321 CUSYWYMEZOXUSW-BPAFIMBUSA-N 452.507 2.825 50 10 JFGE CC(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C(F)(F)F 762267098 YTOPVBVYIPOWMC-UHFFFAOYSA-N 481.431 2.724 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770553 NEIPWMASGUDPRK-NEPJUHHUSA-N 480.999 2.807 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1873792406 BEBSJCZCLSSEPW-DAFNMPDCSA-N 476.530 2.971 50 10 JFGE CC(C)(CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539874 CDAOFPOCOFNLCX-GOSISDBHSA-N 463.369 2.741 50 10 JFGE CC(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2011349241 RTFIMACDNHAYRD-IRXDYDNUSA-N 457.390 2.886 50 10 JFGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2018682141 FNNASQKIOPBDKG-AUUYWEPGSA-N 457.390 2.936 50 10 JFGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257386954 MBGZCAYYSICWKQ-SFHVURJKSA-N 472.350 2.863 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268636117 ZGZDUVLDSODPED-YWZLYKJASA-N 476.766 2.765 50 10 JFGE Cc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc(B(O)O)c1Cl 2268652538 HLBLAZSTNMDDGZ-MGPUTAFESA-N 476.766 2.765 50 10 JFGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)o1 2313619246 WGNMIUKFQHQDQL-UHFFFAOYSA-N 452.330 2.773 50 10 JFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 102855693 JPZSZHGTNDKVRB-GTVARFKMSA-N 477.502 2.658 50 10 JFGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)NCCCN1CCCC1=O 216755414 QZXWVYRJABMEQC-OWBHPGMISA-N 452.296 2.548 50 10 JFGE COC(=O)[C@@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 234590678 AAQDVGZRPMYSFJ-LURJTMIESA-N 469.966 2.971 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1OC 254369296 VQGOAOZCTRKFOI-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE COc1ccccc1NC(=O)C(=O)NN=Cc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 254568719 FHUNMSAMQSCIPS-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cc(F)ccc3F)nnn2-c2nonc2N)cc1 254700163 GMQBELJDEBDODK-UHFFFAOYSA-N 468.424 2.730 50 10 JFGE C=CCN1C(=O)C(=NNC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 254749070 LNDARRQVCQUSFL-UHFFFAOYSA-N 479.500 2.709 50 10 JFGE CCOc1cc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254826106 VCFUCTKTTGMZOB-UHFFFAOYSA-N 481.530 2.733 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2CC2(Cl)Cl)cc1 920852881 BALREOATKDSSEQ-VCHSTOLQSA-N 462.337 2.651 50 10 JFGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 1084022217 GDCGOPGTVZGCLQ-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccncc3)c(C)c21 1772745933 LGOMGPMYQXZGIV-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Br 1924801390 MLMXRXJYEKNJBG-YOEHRIQHSA-N 469.401 2.936 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117558 PDLONFFAYYMWAX-WBHUJUFNSA-N 461.353 2.588 50 10 JFGE CC(C)(C)OC(=O)NCC1CCC(NS(=O)(=O)N2CCC(Br)CC2)CC1 2106303113 RABOXEYFIFUKED-UHFFFAOYSA-N 454.431 2.764 50 10 JFGE C[C@H]1CN(S(=O)(=O)c2cnn(CCCBr)c2)[C@@H](C)CN1Cc1ccccc1 2179786823 GPCQWXQKMLUUID-IRXDYDNUSA-N 455.422 2.952 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 12570516 BLAQJZSWUHNULI-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE O=C(CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1)NNC(=O)C(F)(F)F 20909165 ABGYXLQTUKESKX-UHFFFAOYSA-N 491.499 2.860 50 10 JFGE CCOc1ccccc1OCC(=O)NNC(=O)Cn1c(-c2cscn2)nc2ccccc21 24351162 LFHTVXDTLLFCAK-UHFFFAOYSA-N 451.508 2.785 50 10 JFGE CCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(C)ccc21 33959284 VELLKPADMPXREU-NCELDCMTSA-N 457.328 2.764 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N3CCCc4ccccc43)CC2)cc1 216689684 XBAVBNNJFLJJOM-UZYVYHOESA-N 450.564 2.688 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Br 707409254 IUAJDFRFTFNSEP-BBRMVZONSA-N 457.390 2.792 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=S)Nc3cc(OCC)ccc3OCC)cc2C1=O 727496027 AHRJEWAPHIEVGL-UHFFFAOYSA-N 468.535 2.897 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1087668925 CAOIVXWEBUENPE-GJZGRUSLSA-N 454.474 2.872 50 10 JFGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771722 FZYJNJJZSZIZGE-YKWSONSWSA-N 467.507 2.667 50 10 JFGE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H](Br)C1 1910166425 GVOJKBJICZRGCW-ZNMIVQPWSA-N 462.362 2.733 50 10 JFGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1923143553 VIDXCFUTYQEUBK-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(C)CN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000537677 DMJIGXRKHXMSAY-GOSISDBHSA-N 463.369 2.694 50 10 JFGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538545 HTUXIBHQTBSNMU-KSSFIOAISA-N 463.369 2.740 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2046025041 FZUMZMQPVVHBGU-PJHJGJPPSA-N 473.364 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2108228426 APKAGNGNELXTAQ-UAOJZALGSA-N 487.391 2.838 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2108233235 FMCIVQCBEPVGGQ-IFXJQAMLSA-N 487.391 2.838 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C(F)(F)CC1 2108233697 ISCHHHLSKQJTCX-RHSMWYFYSA-N 452.882 2.679 50 10 JFGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]2C1 2174594689 QJMLTOIQEHPYLL-YVECIDJPSA-N 469.138 2.953 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1F 2178912113 UBBCJYWBKJKDEY-KOLCDFICSA-N 455.109 2.970 50 10 JFGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 2179825845 LYCJQMXYHZYHFL-UHFFFAOYSA-N 455.422 2.791 50 10 JFGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248896599 USLLJGKPLRUAMQ-MRXNPFEDSA-N 478.379 2.876 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@@H](CI)c2cccc(Br)c2)C1 2285602028 DGCIHZAQTTUSRZ-OLZOCXBDSA-N 474.158 2.976 50 10 JFGE Cc1cc(CN(C)C(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)sc1B(O)O 2319026955 OGZOCIFOSFKZRI-UHFFFAOYSA-N 490.390 2.766 50 10 JFGE Cc1cc(I)ccc1NC=C(C#N)C(=O)NCCCN1CCCC1=O 2324073819 QZXWVYRJABMEQC-UHFFFAOYSA-N 452.296 2.548 50 10 JFGE CCOC(=O)N(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCN 2324610055 FXGPQQWACNPCLK-UHFFFAOYSA-N 461.566 2.745 50 10 JFGE O=C1CN(Cc2ccc(Cl)cc2I)CCN1CCBr 2341048626 JWSDBWSDQNAXIZ-UHFFFAOYSA-N 457.537 2.984 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2364015574 QPJTUUJTKRJIOV-MUWHJKNJSA-N 471.975 2.760 50 10 JFGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2369428567 LOPZTIVTJNOCCF-SECBINFHSA-N 493.999 2.735 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C[C@@]2(CBr)CC2(F)F)C1 2379985385 HMKNPBTVYRRPKF-IRXDYDNUSA-N 455.340 2.745 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(OCC)cc2)cc1 14012702 SHADLMADXXPVBX-UHFFFAOYSA-N 458.540 2.538 50 10 JFGE COc1c(Br)cc(Br)cc1/C=C(/C#N)c1nn(CCO)c(N)c1C#N 33400225 VNDGHASCMBUQGW-WMZJFQQLSA-N 467.121 2.927 50 10 JFGE O=S(=O)(NCCI)c1cc(Br)ccc1Br 161945111 BPIKCMBCASIUII-UHFFFAOYSA-N 468.936 2.925 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761414661 IBNIGWQRFCSMTL-NDENLUEZSA-N 483.484 2.959 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770482 KDRMBWCKJSLKSN-UONOGXRCSA-N 474.608 2.716 50 10 JFGE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2106780191 VYYXGTXFKNFULA-ZIAGYGMSSA-N 454.431 2.716 50 10 JFGE Cc1sc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2248415577 CMYARBLRESYCGU-OAHLLOKOSA-N 478.379 2.588 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@H](CI)c2ccc(Br)cc2)C1 2285603986 XQGBUUUHKBKOGO-QWHCGFSZSA-N 474.158 2.976 50 10 JFGE CC1(C)[C@H](Br)C(=CBr)c2cccc3c2N1C(=O)C3=NNC(N)=S 2297731506 XWWSFQMTUPZIHF-GFCCVEGCSA-N 458.179 2.862 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2301721665 AWFNRSXILWVRLG-HSZRJFAPSA-N 478.379 2.704 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2301723675 VLGNUOIRYVHSDW-QHCPKHFHSA-N 462.286 2.761 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC 2321721591 QODOJWMSYKCKNE-CYBMUJFWSA-N 474.514 2.981 50 10 JFGE CO[C@@]1(CBr)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863695 NAKHJMZIBQTUMG-LLVKDONJSA-N 459.964 2.571 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@H]1CBr 2381134594 FILSJPWXIRBUIM-QGZVFWFLSA-N 499.427 2.515 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 13979128 ASECXZIJZBDLLK-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 727942709 ZMOOFLJQTBWCKJ-HNNXBMFYSA-N 462.535 2.915 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ncnc3ccsc23)cc1 1445518747 XRTWAPXEIYURDZ-KRWDZBQOSA-N 459.553 2.580 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(C#N)cc2)nc2cc(Cl)ccc2c1=O 1640578260 PFVBHNIZCXKCOD-UHFFFAOYSA-N 453.911 2.661 50 10 JFGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749483 LXUUAYYMLLGYBV-UHFFFAOYSA-N 452.555 2.990 50 10 JFGE C#CCc1cc(B(O)O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887519077 LSAADPGAKORKDD-UHFFFAOYSA-N 480.373 2.922 50 10 JFGE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106777250 QWHAHOSVNKYRLL-RUZDIDTESA-N 467.407 2.987 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@H](CCl)C1 2108231659 ROBNNZOTOZCTOZ-PXAZEXFGSA-N 452.882 2.537 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2174543546 UYPDDFTWZNPHGS-AWEZNQCLSA-N 466.442 2.860 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(F)cc1I 2178907376 PZOYNMLMPVFLDT-KOLCDFICSA-N 455.109 2.970 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179814801 HYXVYCFBPTWBGE-AABGKKOBSA-N 456.450 2.792 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 2179862312 UMNRTCFHYDRCNB-HNNXBMFYSA-N 455.422 2.790 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2269535367 AXTOVAZLRHDOSK-SANMLTNESA-N 486.377 2.936 50 10 JFGE C[C@H]1C[C@H](O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C[C@@H](C)S1(=O)=O 2307473247 XUXKMZYLZLYFRD-XVIXHAIJSA-N 473.373 2.780 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCS[C@H](CBr)C1 2316816560 BDELRQBBEHAIAP-OAHLLOKOSA-N 489.457 2.985 50 10 JFGE C[C@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CCCC3 2325885272 LQENRFIHUIIBQP-LLVKDONJSA-N 473.536 2.728 50 10 JFGE COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)cc1 651103 MUDZYLBYFOUYRO-UHFFFAOYSA-N 490.545 2.900 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 16399142 FBPOZDNVRJBYMY-UHFFFAOYSA-N 450.308 2.950 50 10 JFGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59165870 IPRIUXHOGYQESH-ZZIIXHQDSA-N 479.606 2.711 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619407 PMPCFDMJGBTITF-KOEQRZSOSA-N 491.460 2.747 50 10 JFGE CCOc1ccc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)C(C#N)=C3C)cc2)cc1 108847252 ZRLUEGLUXDAORZ-DEDYPNTBSA-N 452.492 2.678 50 10 JFGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207209277 WJRKGUUCTZSPBS-SYXXZYOVSA-N 473.485 2.982 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CCBr)C1CCCC1 725118227 UKJQPEUGCIBCFT-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1084387876 AKVVFLBDVXIMRZ-QGZVFWFLSA-N 489.488 2.940 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2cc(C#N)ccc2Br)cc1F 1300526718 IFHNYTHMORUXBQ-UHFFFAOYSA-N 454.277 2.579 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(C)C[C@@H]3Br)CC2)c1 1588025761 GQFMZIGVDPXBPS-HKUYNNGSSA-N 457.390 2.580 50 10 JFGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851744 HYEXRWVHFYSYSX-UHFFFAOYSA-N 454.552 2.652 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCCCc3ccccc3)C2)C1 1872962263 RUPMZGVWGQZZLV-FCHUYYIVSA-N 463.582 2.635 50 10 JFGE C[C@@H](CCCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540614 PPTTUVVWFYNZIK-SCLBCKFNSA-N 463.369 2.741 50 10 JFGE CC(=O)NNC(=O)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019085905 BWTQJBIQQVTQIF-OAQYLSRUSA-N 485.562 2.657 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046024337 ZSOSQNHBFQVMJY-TYILLQQXSA-N 475.380 2.694 50 10 JFGE CC1CC(CBr)(N(C)S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046095734 SGLQFLKFTWLUPE-HRJVKACCSA-N 475.380 2.836 50 10 JFGE Oc1ncnc(N2C[C@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2106984807 GFTFZKZPUOKDKJ-WDSKDSINSA-N 452.012 2.796 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2108231053 MZVKBLDXHSDKEK-DSEONOSFSA-N 487.391 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 2108245414 TZGRKUJWSYWQEB-FFZOFVMBSA-N 487.391 2.980 50 10 JFGE CN(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2146153035 KWHXCSZZQDOECT-QWRGUYRKSA-N 491.043 2.910 50 10 JFGE COc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1 2268613685 XPKAANQFCVQLET-RUZDIDTESA-N 488.349 2.877 50 10 JFGE CN(C(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 2324537456 YNKDWMBHEINIPB-UHFFFAOYSA-N 466.991 2.971 50 10 JFGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 2324606057 QNZJYZGPPLGILB-VWLOTQADSA-N 492.645 2.837 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c(C)c1 12570765 IOYFFQAXZOVPFT-UHFFFAOYSA-N 467.345 2.713 50 10 JFGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40645637 PPWNGHMWRDETJG-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 103724154 CVUMZDGRKWEHIM-SRZZPIQSSA-N 467.398 2.907 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NNc1ccc(Cl)cc1 1084522447 MHERDXXXOSJSBQ-UHFFFAOYSA-N 491.877 2.956 50 10 JFGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1520934883 GMWOMNYAPKTCAM-FGGAIWKESA-N 451.548 2.659 50 10 JFGE CCN(C(=O)[C@H](Br)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1858181164 FVHBKMJCPNFWQD-GXTWGEPZSA-N 453.196 2.791 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(Br)o1 1860771422 VUPUXUWGYVBUPW-UHFFFAOYSA-N 473.308 2.942 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1C 1860771427 VZUDYLQPACEZJL-UHFFFAOYSA-N 462.531 2.968 50 10 JFGE C[C@]1(CCBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2014779703 LCROAHMXTVYEQL-IBGZPJMESA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305725 REROTLHGLUDAAD-DZGCQCFKSA-N 454.431 2.764 50 10 JFGE C[C@]1(CBr)C=CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2215692657 FIQFQYHQFWLXBY-LJQANCHMSA-N 455.374 2.808 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)N(C)C(=O)C(C#N)=C1C 2296907902 UTCGUCFDDFCNOK-UHFFFAOYSA-N 466.519 2.939 50 10 JFGE C[C@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CCCC3 2325885145 FZYJNJJZSZIZGE-CYBMUJFWSA-N 467.507 2.667 50 10 JFGE CN(C)[S@@](=O)(=NCC(C)(C)CI)N1CCN(C(=O)OC(C)(C)C)CC1 2326670147 SKYKEKULGNYPKQ-VWLOTQADSA-N 488.436 2.860 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2339882136 VNIKJRRHNXXCDO-RUZDIDTESA-N 484.361 2.963 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 12490586 ULKYGKMXKLFOAF-BJMVGYQFSA-N 452.248 2.783 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501252 LNHDYQMJZKQJHU-UHFFFAOYSA-N 484.321 2.956 50 10 JFGE COc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1O 254870261 RSRMJXKCQOKFCS-UHFFFAOYSA-N 484.490 2.655 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1 725390971 MGOPQZVOEFEBBB-UHFFFAOYSA-N 453.520 2.742 50 10 JFGE C=C[C@H](C)ONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1644295650 DJEYIWNCHXIJOB-NCPSJORJSA-N 458.316 2.717 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)C1 1860772113 ROWGZSACDYBMKF-NXEZZACHSA-N 479.356 2.961 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)C1 1872963042 YQXHCCXRWNATGI-HOTGVXAUSA-N 475.471 2.835 50 10 JFGE CC(C)[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544210 YTBIQZJYXKVBMR-UGSOOPFHSA-N 463.369 2.597 50 10 JFGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNS(=O)(=O)CI 2007719938 JIOBRGFPDHNHDS-AWEZNQCLSA-N 466.341 2.833 50 10 JFGE CC(C)[C@H](C)[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106296991 CYULFORXKOBWJS-DZGCQCFKSA-N 456.447 2.866 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2174543547 UYPDDFTWZNPHGS-CQSZACIVSA-N 466.442 2.860 50 10 JFGE Cc1cc(CN(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2248397552 MGJIPWZVYUOSOM-MRXNPFEDSA-N 478.379 2.622 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2268652173 SADAFAOUIPFLOR-QYBDOPJKSA-N 486.377 2.936 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2283937623 WRRPNGQGMCJQJP-MHZLTWQESA-N 498.388 2.814 50 10 JFGE O=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cc([N+](=O)[O-])cc(Br)c1O 2296645897 XVTSLPQFIPAPCK-UHFFFAOYSA-N 455.652 2.596 50 10 JFGE CO[C@H](C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1 3669160 JHCOQAJOPKVREV-INIZCTEOSA-N 490.335 2.579 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657700 LQALPEDTPQGTTN-UHFFFAOYSA-N 486.286 2.970 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658034 IBNBIJDBJQILGG-UHFFFAOYSA-N 488.420 2.960 50 10 JFGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccc([N+](=O)[O-])cc1 254634579 WGUPJGALBAYPHD-UHFFFAOYSA-N 455.456 2.931 50 10 JFGE CCc1ccccc1OCC(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727482581 PPPQLUNCCIHKJL-UHFFFAOYSA-N 452.555 2.739 50 10 JFGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cn[nH]c2)c1 1587135718 UNMCYBVMMFVUAN-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE C[C@H](CBr)CCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540427 FFYGQTWBVWADJT-SCLBCKFNSA-N 463.369 2.741 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2008989658 AFNDKOCRYGIICE-ZQIUZPCESA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2120125268 XIKVARKDWMRZNS-WOJBJXKFSA-N 487.391 2.982 50 10 JFGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2123238910 YSGUVDMRZZDBOY-IRXDYDNUSA-N 457.415 2.917 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2256624096 UOXXKUQLEHNAQT-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2296720350 VDKCNZDRYRIVDZ-LJQANCHMSA-N 492.557 2.622 50 10 JFGE C[C@@H](Cl)C[C@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215436 TZEYMQFFDQCVBH-SJORKVTESA-N 456.992 2.891 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccccc1O 13978710 RKZRBEPRQDXRLD-UHFFFAOYSA-N 458.721 2.523 50 10 JFGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14668026 RRXLFTZIPDMPOL-UHFFFAOYSA-N 452.261 2.985 50 10 JFGE CN1C(=C(C#N)C(=O)CCC(=O)NCc2cccc(Cn3cncn3)c2)N(C)c2ccccc21 108865366 YEEQMIWSRZGDHX-UHFFFAOYSA-N 455.522 2.613 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(=O)[C@H]2O[Si](C(C)C)(C(C)C)O1 196779644 TWLMWUCVJNOKKT-FFZOFVMBSA-N 484.698 2.960 50 10 JFGE COc1ccccc1/C=C(/C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 207209195 WJRKGUUCTZSPBS-PLVHLWNTSA-N 473.485 2.982 50 10 JFGE CN(C)C[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 716769147 HMGQDKWQQAHAMT-SECBINFHSA-N 479.032 2.815 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)c1 1651317460 MTARBDDHLVTEHL-UHFFFAOYSA-N 457.512 2.567 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(Br)cc1 1860771524 ZIMPATLCLFXQFH-UHFFFAOYSA-N 461.341 2.561 50 10 JFGE C[C@H](C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851950 LFLOUKQOXSTMLD-CYBMUJFWSA-N 470.526 2.847 50 10 JFGE CC(C)(C)OC(=O)N1CC([C@H]2CCCCN(S(=O)(=O)CI)C2)C1 1983330783 SJPVRJGIHCNORX-LBPRGKRZSA-N 458.362 2.678 50 10 JFGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539972 NAPZYMIJSSZGMJ-DWQUBVKVSA-N 461.353 2.588 50 10 JFGE C[C@H](Br)[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074737877 MWCDDRVAZYEXLR-UAKXVISKSA-N 489.285 2.645 50 10 JFGE O=S(=O)([C@H](CBr)C1CC1)N1CCOCC12CCN(Cc1ccccc1)CC2 2179831699 AAFUUCZOGBIDOU-LJQANCHMSA-N 457.434 2.857 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(B(O)O)cc2)cc1I 2180981797 XLWBWGBHVJXZKG-UHFFFAOYSA-N 482.083 2.570 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1Cc2ccc(NS(=O)(=O)CI)cc2C1 2210516962 URQNJFRPBWRHPZ-ZDUSSCGKSA-N 452.314 2.813 50 10 JFGE CO[C@H]1[C@@H](CBr)N(C(=O)c2cccc(I)c2)C[C@H]1OC 2233352622 FEIZALIVIMUPHU-UPJWGTAASA-N 454.102 2.541 50 10 JFGE CCN(C[C@@](C)(CI)OCCCS(C)(=O)=O)C(=O)OC(C)(C)C 2246095502 GNSLTKYQGDXKGW-OAHLLOKOSA-N 463.378 2.888 50 10 JFGE CN1CCN(C(=O)c2c(F)cccc2I)[C@H](CCBr)C1 2282769838 BLQDVTWPQNDDST-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C[C@]1(CBr)CC1(F)F)C2 2379987210 FHQVXTHCIRJVEY-IAGOWNOFSA-N 455.340 2.745 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc(OC)c1OC 12574092 SJBQHHNWVGZXPS-UHFFFAOYSA-N 469.519 2.580 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 59154519 SZPYCSHPIZKOMG-RWEWTDSWSA-N 460.446 2.920 50 10 JFGE O=C(CCc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59167401 RGKXYOTZZGPESS-RMLRFSFXSA-N 466.497 2.783 50 10 JFGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 59385690 KHOUVOJGECZJDP-MMXTWKRJSA-N 457.284 2.926 50 10 JFGE Cc1cccc(C(C)C)c1NC(=O)C(CC(=O)/C=C/c1cccc([N+](=O)[O-])c1)=NNC(=O)C(N)=O 254567248 PXCNOBXGCGPDRH-GHJHDYJLSA-N 479.493 2.595 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)c1ccccc1 714548863 SZVVAODOUFKZNQ-UHFFFAOYSA-N 451.342 2.904 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2OC)cc1 1084542520 WZTFTBIXEICDPI-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE C=CCn1c(SCC(=O)NNC(=S)NCCSC)nnc1-c1ccc(Cl)cc1 1596322967 PNEMGDDOEZIRED-UHFFFAOYSA-N 457.050 2.735 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771744 GMAZKHSLWNIABE-MARXPDLDSA-N 482.562 2.776 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc(CS(C)(=O)=O)cc3)c(C)n2)c1 1865758454 AYVIUIXZHYUBLD-UHFFFAOYSA-N 453.520 2.685 50 10 JFGE C[C@H](C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1865851472 CHIDDUHYUNPRKG-SNVBAGLBSA-N 475.914 2.921 50 10 JFGE C[C@H](CCl)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1959544150 PNJXPQKXFAOQEY-CQSZACIVSA-N 458.021 2.543 50 10 JFGE C[C@@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1 2066646222 UTNBNPUEXOKARF-HNNXBMFYSA-N 468.376 2.928 50 10 JFGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](CBr)O1 2338860229 JXLHFHFPVKMDSF-RNFRBKRXSA-N 459.964 2.570 50 10 JFGE CC(C)C[C@@H](CBr)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2353823521 BQRLEDIGKABZLD-HNNXBMFYSA-N 453.443 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CC(c2nc(=NS(=O)(=O)CCC(CCl)CCl)s[nH]2)C1 2360250357 BJIJOJTYWIDMCF-UHFFFAOYSA-N 459.421 2.520 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C[C@@H]1C(F)(F)F 2361445640 CFMZJDWNSJPUDF-ZLENFMNRSA-N 470.872 2.975 50 10 JFGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 9819555 BOLABJKGDIUBAC-UHFFFAOYSA-N 454.264 2.781 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 9826109 OSQYOVWKXJMSTG-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1Br 14649039 WUVTWXSQEBNMSR-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)CC1 40811990 LRQHCBFYPXBYJF-XIEYBQDHSA-N 453.495 2.789 50 10 JFGE COc1ccccc1C=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 1084007564 SNZOXWXLCNHPBK-UHFFFAOYSA-N 499.520 2.951 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(Br)c[nH]1 1587509008 YNUWLSPDWMFUGF-UHFFFAOYSA-N 459.094 2.582 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cccc1[N+](=O)[O-] 1860771157 LTAAMHBOUZVCHH-AAEUAGOBSA-N 469.523 2.822 50 10 JFGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048064836 XLBYDRKXPYZZAY-TYILLQQXSA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2108233992 LBQMLIMVCKXOCO-SJCJKPOMSA-N 497.333 2.693 50 10 JFGE O=S(=O)(N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1)N1CCCC[C@H]1CBr 2179823837 OAXKHURGNADHDP-UFYCRDLUSA-N 456.450 2.935 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 2246475619 PZQONGPYBQXYQQ-CABCVRRESA-N 479.665 2.769 50 10 JFGE Cc1ccc(B(O)O)cc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248902957 OUEDVECZCACJTQ-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE Cc1sc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2283977155 MFGVERSCPKQHKT-HRAATJIYSA-N 490.431 2.502 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H](CCBr)C1 2338861729 TYNMXHMQVMLOTQ-ZETCQYMHSA-N 459.964 2.571 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658190 CABMFDVFIMSXSU-UHFFFAOYSA-N 490.795 2.599 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58988707 XCZPWXDXRBVUER-YDZHTSKRSA-N 468.543 2.656 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989207 PCAVXRILOMGYMS-SSDVNMTOSA-N 488.461 2.637 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 103728677 ZLXQKFURQTWIKX-KEBDBYFISA-N 453.371 2.978 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](COc2c(Br)cc(Br)cc2Br)O1 110555223 YZUWIJHONMZMTK-XCBNKYQSSA-N 472.959 2.890 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccc(O)c(O)c2)nnc1-c1ccc(OC)c(OC)c1 254632902 UKNGGLBENIHHTO-UHFFFAOYSA-N 457.512 2.636 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c(OC)c1 1084072582 GXMJPQGFSNRTES-UHFFFAOYSA-N 491.371 2.681 50 10 JFGE CC(=O)N(CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1292323017 YCQCNSYRJDFXSU-VWLOTQADSA-N 456.546 2.814 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(I)cc2NC)c1 1594447376 QSKIKNMLKCCEKO-UHFFFAOYSA-N 450.305 2.946 50 10 JFGE Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)OCC(=O)NNC(=O)c1ccc(F)cc1 2042438694 LTHKQUNRCPABJL-UHFFFAOYSA-N 454.433 2.785 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2048826261 CDCXLTNKLSACAS-MVVMVCHASA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1 2106778760 HCHYSMGFJHWLPJ-CABCVRRESA-N 452.415 2.564 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2163054159 UWEVLPVSRUMGCR-HNNXBMFYSA-N 466.442 2.860 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2320271572 CTNCIWRPQYAFAJ-PHZGNYQRSA-N 469.401 2.746 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1cc(I)ccc1Br 2320389983 GAWBUJYFOFJFQZ-SECBINFHSA-N 490.917 2.720 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2364197622 NGOLRQIKYSDQTN-KKSFZXQISA-N 499.427 2.659 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)n[nH]2)c1C 1137651413 GBZSUZNKBWZSFR-UHFFFAOYSA-N 450.471 2.829 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1N(C)C 1860771525 ZJAIZNIVRDTBJI-DZGCQCFKSA-N 467.595 2.979 50 10 JFGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534161 UQPRZMNEKVJXPE-MPGHIAIKSA-N 463.369 2.882 50 10 JFGE CC(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2011349242 RTFIMACDNHAYRD-SJORKVTESA-N 457.390 2.886 50 10 JFGE CN(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2146153030 KWHXCSZZQDOECT-GHMZBOCLSA-N 491.043 2.910 50 10 JFGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cnn(CCBr)c2)C1 2179811490 IQAJBENUEIINSH-DLBZAZTESA-N 455.422 2.809 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185515030 RVOXAYVFQUTGRI-ROUUACIJSA-N 455.374 2.839 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCCc2cc(B(O)O)ccc21)Cc1ccccc1 2268668826 IVTHKLZSFKSFGO-UHFFFAOYSA-N 452.360 2.863 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@H](CI)c2cccc(Br)c2)C1 2285602027 DGCIHZAQTTUSRZ-CHWSQXEVSA-N 474.158 2.976 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C[C@H]1CCOC1 2364215791 XCWVQLALKSENPK-IAGOWNOFSA-N 456.992 2.796 50 10 JFGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1 13976404 PIPYOQMEEJJTKW-UHFFFAOYSA-N 456.568 2.804 50 10 JFGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4c(Br)cccc4[nH]3)cc2)CC1 728213958 IAOFRGADIPMGKI-UHFFFAOYSA-N 492.399 2.623 50 10 JFGE Cc1nc(I)c(I)n1-c1cncc(CCl)n1 1936388189 JKHAQTVBFHUXGG-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCS[C@@H](CBr)C1 1942088131 KAPNBMFGINSXOT-AWEZNQCLSA-N 475.430 2.595 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2048821677 BNODNVOECOCILT-MVVMVCHASA-N 469.401 2.888 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2cc(I)ccc2O)C1 2121339375 ZEURHJICNPKPJY-QGRDJGHBSA-N 458.030 2.865 50 10 JFGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2C1=O 8909988 TXSVZZIMBWZGHU-OBHPCNEJSA-N 458.474 2.871 50 10 JFGE COc1ccc(C(=O)NNC(=O)CCC(=O)OCCc2ccccc2)cc1I 14010879 NKBIJZFVPSJVRA-UHFFFAOYSA-N 496.301 2.627 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 920853816 HFRKBDLWCBKMAA-NYJBXQQLSA-N 478.597 2.720 50 10 JFGE CC(=O)c1ccc(NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nc1 1466143293 AOUBOTBWDBNTIJ-UHFFFAOYSA-N 456.462 2.509 50 10 JFGE C#CC[C@@]1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CCCN1C(=O)OC(C)(C)C 1633460376 PUWANOUPVZBVJJ-QFIPXVFZSA-N 457.535 2.523 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1C 1640967419 TTXQOZALSDSBFS-UHFFFAOYSA-N 452.496 2.901 50 10 JFGE C[C@H](C(=O)NNC(=O)c1cncc(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772143 SKGCGFNRBBLJOU-SNVBAGLBSA-N 476.356 2.517 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1 1873777881 VXHNPBYMBSTTBI-OFNKIYASSA-N 497.555 2.671 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(F)(F)F)CCN1S(=O)(=O)CI 2007719203 HVHYUOMCDRADCG-VHSXEESVSA-N 486.294 2.876 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@H]1Br 2046030357 XMXWVRYPJZUSDU-CRFBAAHOSA-N 475.380 2.884 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234560387 WJNKYCSRLFCUQB-SWLSCSKDSA-N 450.114 2.704 50 10 JFGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259750798 LQPRVRVMMPYYGI-BFUOFWGJSA-N 475.380 2.979 50 10 JFGE COC[C@@](C)(CBr)N(C)C(=O)c1c(Br)c(Br)nn1C 2338862880 ZPQYVVZMAGYIMU-LLVKDONJSA-N 461.980 2.817 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)c(Br)c1 14010937 ZPMWENSRVVFCHC-UHFFFAOYSA-N 463.328 2.850 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc(OC)c1OC 14035363 RTASGTKNLNOICY-UHFFFAOYSA-N 461.540 2.697 50 10 JFGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 229630166 JHQXYGIATOPEIN-CFNQLYMVSA-N 456.524 2.947 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 254499664 CTTQBOWLEJJFDG-UHFFFAOYSA-N 452.423 2.752 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1CBr 687613684 QIQORJWLFJMSCT-SSDOTTSWSA-N 452.621 2.864 50 10 JFGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)c1cc(F)ccc1Br 728549897 ROGRIVJNFHHSRB-UHFFFAOYSA-N 499.300 2.817 50 10 JFGE CC(=O)N1C[C@@H](CI)[C@@H](c2cc(I)ccc2N)C1 1614642256 PJQUMNGOKONEBG-SKDRFNHKSA-N 470.092 2.870 50 10 JFGE CCC[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2008112567 FYRSXNJKSQZLIC-FZKQIMNGSA-N 463.369 2.741 50 10 JFGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2106783689 BYOOGDKGTAHWBG-LSDHHAIUSA-N 453.443 2.906 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@]2(CCCO2)C1 2120030216 BRCSLPNQURWQJZ-PRHODGIISA-N 457.131 2.906 50 10 JFGE CN(CCCBr)S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2130166891 PZKRIXZDLRCNOZ-HNNXBMFYSA-N 458.344 2.697 50 10 JFGE O=C(NCc1cc(F)cc(NS(=O)(=O)N2CCC(Br)CC2)c1)C(F)(F)F 2162590917 GPBAWZQKONWIGL-UHFFFAOYSA-N 462.263 2.520 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1CBr 2179811903 NUBMUJBYWRDUCU-APWZRJJASA-N 453.406 2.756 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179949167 RQKUYEKYDFBIEO-PMACEKPBSA-N 456.450 2.935 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CC(F)F)C1 2183409479 OREPPMLMHODKIB-ZDUSSCGKSA-N 476.384 2.667 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2269537965 AXTOVAZLRHDOSK-AREMUKBSSA-N 486.377 2.936 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1ccc(I)c(Br)c1 2303603095 ZPPDHKWVQFSSOV-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2320395354 DNFSSISUXQLOBR-VIFPVBQESA-N 490.917 2.720 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OCC[C@]2(CCl)C1 2364190560 OFDBHBDSCPHLHB-RXVVDRJESA-N 454.976 2.503 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)cc2)cc1 3254957 DSRKFLARSPEMOK-RWEWTDSWSA-N 476.558 2.926 50 10 JFGE O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 13982235 ZWFFCKITPZQTIQ-UHFFFAOYSA-N 463.475 2.796 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594084 OYICWUSPMHJPDO-UHFFFAOYSA-N 484.400 2.598 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(C)C[C@H]3Br)CC2)c1 1588025762 GQFMZIGVDPXBPS-IEBWSBKVSA-N 457.390 2.580 50 10 JFGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 1639557548 JHJBDRCFMSKRAT-MAWWMOLZSA-N 453.930 2.693 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860772033 OWIYXVXWYLLNPA-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128879058 WFPBGXKBXWZVNP-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)NCCc1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2137270039 OFMKEWLMIPYRJW-UHFFFAOYSA-N 469.427 2.726 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(I)ccc1Cl 2231677333 CFCDOBKEMBEYKK-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2COC[C@]2(CBr)C1 2234560388 WJNKYCSRLFCUQB-WFASDCNBSA-N 450.114 2.704 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2243679277 VPIINAFVBCFRCU-CABCVRRESA-N 464.352 2.532 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2Cl)cc1 2313743472 SJYBBCRJGGCBNG-UHFFFAOYSA-N 461.927 2.631 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)ccc1Br 2335772987 LKIVEKDSAGBNGT-UHFFFAOYSA-N 478.000 2.751 50 10 JFGE Cn1ncc(C(=O)N2C[C@@H]3C[C@@H](CBr)C[C@@H](C3)C2)c1I 2369340721 KTRHSHJEKAKMJZ-RTCCRHLQSA-N 452.134 2.908 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)c(C)c1 13976154 RXADQPYGDMPWIN-UHFFFAOYSA-N 456.568 2.740 50 10 JFGE Cc1ncc(CO)c(C=NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1O 254863285 LGLQDRHNOIVZJG-IYBDPMFKSA-N 454.527 2.520 50 10 JFGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)s1 1084080091 XFPGUABLTXMDKG-UHFFFAOYSA-N 467.168 2.593 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994704855 LPJNRZBTYSRGAH-PKOBYXMFSA-N 460.040 2.902 50 10 JFGE CC(C)[C@@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542846 LNEDBWMKOSQNJI-QAPCUYQASA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNS(=O)(=O)CI 2007718113 GADQAJBJBJVRCY-AWEZNQCLSA-N 466.341 2.660 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2106778218 BDUORDNMHKZZNL-CQSZACIVSA-N 454.431 2.858 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2162204206 LALCQYHYQDFJLA-PMACEKPBSA-N 456.450 2.935 50 10 JFGE CC[C@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1c1ncc(Br)cc1B(O)O 2240334370 VVAXPVBHBBLYMG-ZWKOTPCHSA-N 476.180 2.540 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2256597257 FJQQMQFFMLOGQY-QRQCRPRQSA-N 493.394 2.563 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2257377784 DNQSIOJTRSVOIS-HSZRJFAPSA-N 492.406 2.998 50 10 JFGE CN1C[C@H](Br)[C@@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277928512 ROTYJQIMDXLOCI-RYUDHWBXSA-N 454.988 2.948 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 14660669 NWYUCPMLPHMGDG-UHFFFAOYSA-N 453.520 2.580 50 10 JFGE COCC(=O)NNC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 253577434 XBLOLFPQRFDMNN-UHFFFAOYSA-N 455.584 2.621 50 10 JFGE CSCCOC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 254840502 LKJSXTQUUUTFLE-UHFFFAOYSA-N 471.579 2.568 50 10 JFGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccccc1 254867389 BGGDTJFOYRNAEQ-UHFFFAOYSA-N 476.497 2.707 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@H](N)C(=O)O)/C(=C/C(=O)O)C1 504243373 BHQAMABUPJQDIU-OOTMCEDBSA-N 489.015 2.823 50 10 JFGE in-vitro O=C(CSc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1)NNC(=O)C1CCC1 1084346082 BJIIORWHMDGJRD-UHFFFAOYSA-N 487.517 2.601 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772745127 STCKPRSNWASWIP-UHFFFAOYSA-N 460.490 2.898 50 10 JFGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851671 FYHKOOPHQUJVMS-OAHLLOKOSA-N 468.579 2.762 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2163050048 GKRQHPKIRLVGBK-VNQPRFMTSA-N 466.442 2.716 50 10 JFGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(O)c1 2195479630 RPVFCZFHULVXTE-ONGXEEELSA-N 454.102 2.917 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2201762135 DXNMNGAZMXPAIJ-OTYXRUKQSA-N 452.086 2.765 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC[C@]2(C[C@H](Br)CO2)C1 2201762318 GBPZQCSNTQOBAE-HZMBPMFUSA-N 452.086 2.765 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@@H]21 2217359148 XDIHBIPYASAYOQ-ZQIUZPCESA-N 455.374 2.640 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248396691 CPERDSHOQDUAMD-QGZVFWFLSA-N 458.323 2.849 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2326680449 VXQDYVVRVVYOHR-PBHICJAKSA-N 469.401 2.936 50 10 JFGE COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Cn2cnc([N+](=O)[O-])n2)c1 3670718 OLHNFCNSYCTSTJ-GOSISDBHSA-N 450.455 2.694 50 10 JFGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 24463187 NCGJNRHGHSHAPE-UHFFFAOYSA-N 450.451 2.850 50 10 JFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 58991330 RYIGHCUTVRKGFN-ZVHZXABRSA-N 499.553 2.997 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 207175662 YNDLEMIJAMBWLB-WQRHYEAKSA-N 482.489 2.706 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(C#N)cc3)nnn2-c2nonc2N)cc1 254820198 ZFQDCLYVWQWDPQ-UHFFFAOYSA-N 471.481 2.714 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2cnn(CCN3CCOCC3)c2)c(-c2ccccc2)n1 728538061 BGVOLMBBJTYLPK-RCCKNPSSSA-N 470.537 2.538 50 10 JFGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 747623083 IOEFTACKQPXFKS-NRFANRHFSA-N 474.542 2.683 50 10 JFGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(C(=O)O)cc2)NC(=O)N1 1083911120 GQTUECPMXZWXSB-KRWDZBQOSA-N 457.284 2.926 50 10 JFGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1)c1ccccc1 1084654733 DBRNJURQSOCAOG-GOSISDBHSA-N 450.539 2.842 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770960 DHIQUFKSRABDDG-SOFGYWHQSA-N 481.515 2.956 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CBr 1942097495 IQZMBKNIDXVMIP-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046680356 SVZKPMFUPGFJQX-GJZGRUSLSA-N 471.417 2.992 50 10 JFGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1nn(C)cc1Br 2080419040 UCLKCJUFTCRCAA-PKSQDBQZSA-N 455.090 2.771 50 10 JFGE CC1(C)C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106772396 NGHHVBSIKSUBNY-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE C[C@@H]1C[C@@H](Br)[C@@H](C)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2214801425 QTWCTSCJLHNBCW-CKEIUWERSA-N 457.390 2.886 50 10 JFGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2248891333 FAXYXZNNRPRRDM-HNNXBMFYSA-N 478.379 2.922 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2282806016 GCSNUAPVIBTXOZ-OTYXRUKQSA-N 454.077 2.914 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc(C)c1Cl 14011384 QPTVJACUQMIZOG-UHFFFAOYSA-N 491.997 2.924 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 14657354 JWPHIKZTLAXXGK-MRXNPFEDSA-N 467.547 2.968 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14770950 PZIXIXXHBBRMHA-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE COC1=C/C(=C\NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=C(Br)C1=O 33907523 CEJUDZWNTTWGPO-PFONDFGASA-N 455.308 2.819 50 10 JFGE C=CCn1c(CCc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NNC(C)=O 59877694 SCTPQCVBPCUTGG-LBPRGKRZSA-N 499.378 2.502 50 10 JFGE CC(/C=C\c1ccc(N(C)C)cc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 254482790 DLSINFLMUDJSCM-ZYSBCVMESA-N 463.527 2.846 50 10 JFGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 1084581097 FHJQRHPLPYGNNV-INIZCTEOSA-N 465.300 2.885 50 10 JFGE C[C@H]1C[C@H]2[C@@H]3CCC4=C/C(=N/NC(N)=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 1848441544 YISHKSDOXRWYLO-XVHZVXDQSA-N 471.554 2.618 50 10 JFGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1 1915296095 QMIVZZWOWIXPDS-KRWDZBQOSA-N 452.436 2.815 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC[C@H](Br)C1 2000001209 JULVCBOILUBGDG-GJZGRUSLSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 2022849925 QHBYIRSBOWJVIA-LSDHHAIUSA-N 479.665 2.627 50 10 JFGE C=CC[C@@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2023592709 ANDJWJCQWPIMHI-IBGZPJMESA-N 457.390 2.960 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C(F)(F)F 2043170441 CQBWYTJQXULMFW-MRXNPFEDSA-N 485.322 2.944 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCBr 2046022826 NGVJAMBOJFUYKS-LIRRHRJNSA-N 475.380 2.980 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2046024146 YCZNLMZXADWHFC-VMDGZTHMSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CCC1(F)F 2163053719 PYJCWIZIFLLDLZ-CYBMUJFWSA-N 476.384 2.715 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2326788493 JMRFLBJJLPLYHN-UHFFFAOYSA-N 480.276 2.900 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@H](Br)CCO1 2338852297 MVAKQHKOILOYSK-HZPDHXFCSA-N 487.416 2.705 50 10 JFGE Cn1ncc(C(=O)N2CC[C@@H](Br)C[C@@H]2C(F)(F)F)c1I 2361453499 XOANZPTXBRTBHH-HTRCEHHLSA-N 466.039 2.955 50 10 JFGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 13621152 JPEUCYFDSOHECK-LFYBBSHMSA-N 478.368 2.962 50 10 JFGE C[C@@H](CN1CCOCC1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916053648 CGAZXXDRVCXKRV-AMRJIULGSA-N 452.946 2.861 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1084101057 XCZPWXDXRBVUER-UHFFFAOYSA-N 468.543 2.656 50 10 JFGE CCOc1cc(C=NNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1O 1084458201 AMLXLEIIGHNSDO-LBPRGKRZSA-N 481.290 2.723 50 10 JFGE CC(=O)N1C[C@H](CI)[C@H](c2cc(I)ccc2N)C1 1614642252 PJQUMNGOKONEBG-JOYOIKCWSA-N 470.092 2.870 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 1665220127 QWAORCDKMLQXLC-LBPRGKRZSA-N 455.439 2.506 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC12CC(CBr)(C1)C2 1945971169 XOUPUJNLSOYBNM-UHFFFAOYSA-N 455.374 2.690 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H](Br)C1 2000532427 JOIRGZHEKKYITE-VBHSOAQHSA-N 461.353 2.636 50 10 JFGE C[C@H](CBr)CCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540429 FFYGQTWBVWADJT-UGSOOPFHSA-N 463.369 2.741 50 10 JFGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@H]1Br 2048897922 XTTCNJFYHLGJAI-HAELCTKSSA-N 475.380 2.882 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@]21CNS(=O)(=O)N1CCC(Br)CC1 2162601810 MOQRJXVZYOYARY-KDOFPFPSSA-N 466.442 2.860 50 10 JFGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2ccc(CCCl)cc2)C1 2162603261 VEMLUMRHSUVVCA-LJQANCHMSA-N 452.960 2.784 50 10 JFGE O=S(=O)(c1cccc(CBr)c1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179820095 UHCZPCWMDHZRMD-VQTJNVASSA-N 451.386 2.855 50 10 JFGE CO[C@@H]1CN(c2ncc(I)cc2Br)[C@H](CCl)[C@H]1OC 2225080176 FMOQOEHFBTXVAH-GMTAPVOTSA-N 461.525 2.906 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2364212883 BHLMKQYBHFUJSD-INIZCTEOSA-N 499.427 2.801 50 10 JFGE Nn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 20922976 GMYVVGDSMDJERK-UHFFFAOYSA-N 481.763 2.628 50 10 JFGE COc1ccc(CNc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40619317 ZBPOGZHAKDULEH-UHFFFAOYSA-N 453.415 2.600 50 10 JFGE CCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21 254616020 URXAYSDVGIISLP-UHFFFAOYSA-N 478.530 2.997 50 10 JFGE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c1 728501373 IZBXPKBGGVHZLV-UHFFFAOYSA-N 461.721 2.903 50 10 JFGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cccc(Br)c2)S(C)(=O)=O)cc1 1084274068 KRGNMCGXHZTXNB-ZDUSSCGKSA-N 454.346 2.763 50 10 JFGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccco3)c(C)c21 1772745936 LNQIYOQMFIIJEI-UHFFFAOYSA-N 450.451 2.735 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771779 HMVIJGANZYSHNC-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 2106785997 RWWSIKBPWCARBU-LSDHHAIUSA-N 451.427 2.660 50 10 JFGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257372945 JVNKFHJWAZOWQW-KRWDZBQOSA-N 472.350 2.861 50 10 JFGE C[C@@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2307515218 SCMMJPZZSPHKKZ-IECZYAKXSA-N 455.374 2.544 50 10 JFGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979224 YMYDFSQIFJTNCL-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14659219 HQOHOAGVAGSBAN-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE N#C/C(=C\c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 40935261 DROMTLUPWMDESH-SFQUDFHCSA-N 455.426 2.705 50 10 JFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@]2(O)CCl 100829696 HHVCVAIASNFMBE-XYEHWOGUSA-N 458.935 2.863 50 10 JFGE endogenous,in-man CCc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254813536 RDONKDSTGOIPLZ-UHFFFAOYSA-N 454.535 2.859 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)n2)cc1 1865757218 RXJYCPQLUQQNJB-UHFFFAOYSA-N 451.395 2.957 50 10 JFGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2001930686 UEVKHUZMYUPIOE-CABCVRRESA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@](CBr)(C(F)(F)F)C1 2048757292 QUVYGRHBNFIDMN-MRXNPFEDSA-N 483.306 2.652 50 10 JFGE CC(C)[C@@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2126337244 RIFIHFPEZOOMQF-LSDHHAIUSA-N 454.431 2.714 50 10 JFGE CN([C@@H]1C[C@@H]2C[C@H](C1)CN2C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163053038 JWMQDSPOCQQFSV-BPUTZDHNSA-N 466.442 2.810 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163059121 QNWBUMUJCJJUBP-GOEBONIOSA-N 466.442 2.812 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1O 2178905137 BTYFLORPQGTYSO-ONGXEEELSA-N 453.118 2.536 50 10 JFGE O=S(=O)(C1CC(CBr)C1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179948687 LZSSFRZZHVWJKB-SOAGJPPSSA-N 457.434 2.857 50 10 JFGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187747134 FEBCZGQPTXTNGY-UFYCRDLUSA-N 456.450 2.935 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2268628304 GBLKXTLILFQUGK-SANMLTNESA-N 486.377 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2351616191 WUJJVVXJAYQTPG-AXHNFQJDSA-N 487.391 2.884 50 10 JFGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 33247506 FTWSAXXSSHKCKV-PXNMLYILSA-N 471.433 2.974 50 10 JFGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649814 DBSAZPIAVQMEST-UHFFFAOYSA-N 467.398 2.509 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1cccnc1 58987075 LTYYJOUQORRGST-SSDVNMTOSA-N 460.361 2.839 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccncc3)n2N)cc1 58988660 PCMANTFBNQAHKZ-PCLIKHOPSA-N 452.588 2.923 50 10 JFGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 205339728 JHQXYGIATOPEIN-SPUDLUADSA-N 456.524 2.947 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)c(Br)s1 234591745 HMNJRJMSGJVKDV-RXMQYKEDSA-N 496.946 2.980 50 10 JFGE Cn1c(O)nc2ncc(-c3cccc(C(=O)NNc4nc(Br)cn5ccnc45)c3)cc21 771824923 FKXHFPXKHRVQQV-UHFFFAOYSA-N 479.298 2.903 50 10 JFGE C#CCCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1626893135 KSFUZTWCBWGVIY-VBKFSLOCSA-N 454.328 2.625 50 10 JFGE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1Cl 1868137080 VDISQUNJPLDQBN-UHFFFAOYSA-N 467.956 2.840 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046024336 ZSOSQNHBFQVMJY-PJIJBLCYSA-N 475.380 2.694 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@]1(C)CBr 2046025207 HJMGEXNSAFHUBE-OALUTQOASA-N 475.380 2.980 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2257359028 WCDDKYGEYBCIOC-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE O=C(NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)C(=Cc1cccs1)NC(=O)c1ccccc1 2295149893 DWXVTOVIYOBPBT-UHFFFAOYSA-N 461.459 2.900 50 10 JFGE COc1ccccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324244946 BLLVTRGGKKVWCD-UHFFFAOYSA-N 476.942 2.828 50 10 JFGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1 254555604 AHXZDJSYZPDEJW-UHFFFAOYSA-N 469.494 2.782 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ncccc2C(F)(F)F)cc1 1654346962 LBGDBRWHEGCBND-UHFFFAOYSA-N 458.462 2.847 50 10 JFGE O=C(O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cccc([N+](=O)[O-])c3)sc2=O)c1 1772719881 KHAQRQWATUNKAL-UHFFFAOYSA-N 460.855 2.982 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772377 XCYBHPOXIOGGKA-CABCVRRESA-N 454.552 2.679 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)C1 1873777693 PCONISSJJGVWAM-NRFANRHFSA-N 497.555 2.916 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2Br 2004620859 BHQYYQZPLQPJKI-JKIFEVAISA-N 455.374 2.640 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 2085374818 DNGBLIVZEHWNQC-FQEVSTJZSA-N 462.937 2.971 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2169635796 VGJXAPQMDRPKBO-KBXCAEBGSA-N 466.442 2.860 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2248401963 QDXOWUKNXPATHR-XMMPIXPASA-N 458.323 2.868 50 10 JFGE O=C(NOCCCNC(=O)c1cccc(B(O)O)c1Cl)OCC1c2ccccc2-c2ccccc21 2255500865 NFMJEFIYLSKGRO-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc([N+](=O)[O-])c1O 2318418112 PWAHEJURBOHLGN-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2C)c(Br)c1 13979145 QYYQSYUJJSMWPM-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE COc1ccc(Br)c(C(=O)NNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 728508381 OVVCKJDQODXKQK-UHFFFAOYSA-N 478.708 2.951 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867176747 UKTNTYBEYWHBTB-LJQANCHMSA-N 462.535 2.787 50 10 JFGE O=C(NCC(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)c1ccc(Cl)cc1Cl 1873777565 KSKKZRRQUVJUOF-CYBMUJFWSA-N 450.326 2.500 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 1942090685 YIFAAJDDAXJFEU-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](CBr)C(F)(F)F 2043320916 TZKOACSTICUSIU-LBPRGKRZSA-N 485.322 2.946 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCN2CCOCC2)C1 2055689134 BQEOLEVWYJBPIG-GOSISDBHSA-N 468.376 2.930 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CBr)C1 2056573078 VCLVGWGGSODLRU-RBUKOAKNSA-N 473.364 2.592 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)N1CCC(Br)CC1 2061267424 CTFHUFCSUZGPCU-UHFFFAOYSA-N 478.500 2.586 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2067011396 HEOPNMLGMZKQMC-SJORKVTESA-N 469.401 2.886 50 10 JFGE COC[C@@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162601852 MWWSXTHCQAPCOQ-GOSISDBHSA-N 463.394 2.886 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310038578 AXTZGCCECCAIEI-CLROSIBMSA-N 469.401 2.790 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2317658831 PPBKOJUFSSSLNQ-CRICUBBOSA-N 472.350 2.861 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(I)c2)cc1 100449515 ZPJBPTMPCKIMFH-UHFFFAOYSA-N 481.290 2.870 50 10 JFGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 229051209 NSAGGUGHVNFKTJ-IQTKLPHMSA-N 450.501 2.860 50 10 JFGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N 254631071 PBABJOZSJLZNGE-UHFFFAOYSA-N 496.705 2.649 50 10 JFGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)c1ccccc1 254736170 HQKVZDDPMMTBCQ-IBGZPJMESA-N 458.518 2.709 50 10 JFGE CC(COc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254906156 QDMJGMDZGFDYMM-UHFFFAOYSA-N 464.511 2.710 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)C1 1872963140 ZJAHRFRGPCIKBM-JKSUJKDBSA-N 491.470 2.715 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCC(Br)CC2)C1 1950164585 JWNWOWLJGGLNEW-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE CC(C)C[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540206 DJLGVHQDTBTSBK-UGSOOPFHSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032218185 ADZQWLGXEIHETC-FHLIZLRMSA-N 469.401 2.746 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2046025039 FZUMZMQPVVHBGU-FGBSKUFISA-N 473.364 2.588 50 10 JFGE CSCC[C@@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026310 QCMQZWZGOYMTFF-SCLBCKFNSA-N 495.436 2.837 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780116 VEENAMNORVDLEG-ZIAGYGMSSA-N 454.431 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2364196836 FHFQCTLERDDGQQ-IIBYNOLFSA-N 499.427 2.516 50 10 JFGE C=C[C@]1(CBr)COCCN1C(=O)c1c(Br)c(Br)nn1C 2364228732 QGLLOJKGLDQPPL-LBPRGKRZSA-N 471.975 2.737 50 10 JFGE Cn1ncc(C(=O)N2CCC[C@H](Br)[C@H]2C(F)(F)F)c1I 2370243329 NRIIQVZBVUVARD-YUMQZZPRSA-N 466.039 2.955 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(OCCOc2ccccc2)c1 13629803 AFLUSUFHMRHUBK-LJQANCHMSA-N 463.490 2.547 50 10 JFGE COC[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 229014097 CXGNZHLYTCULET-QMMMGPOBSA-N 465.989 2.900 50 10 JFGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(CO)cnc(C)c2O)cc1 254305834 XTDYKPSMFIWQOE-CDCAKUJBSA-N 460.490 2.518 50 10 JFGE O=C(N[C@@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 721576657 HACYWIQCJFMOLP-WCBMZHEXSA-N 474.918 2.946 50 10 JFGE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC 730495745 VABLCPWSYQBAIS-AWEZNQCLSA-N 466.581 2.829 50 10 JFGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)CC1=O 1865757586 KRDLFNGGZXGGPA-KRWDZBQOSA-N 478.578 2.847 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2078144380 UUJGKXYJIYCINV-JLTOFOAXSA-N 469.401 2.746 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@H](CBr)C1CCC1 2127125293 GPYSYOIOACOIEI-HNNXBMFYSA-N 451.427 2.518 50 10 JFGE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)c1ccc(CBr)cc1 2163052972 JCTOXXFXJRYNOG-GOSISDBHSA-N 463.394 2.886 50 10 JFGE COC[C@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)OC 2179788547 DHJQKUVPKLTPIK-QMMMGPOBSA-N 451.202 2.687 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2301665619 XCRYQFYPBBYYBA-QFIPXVFZSA-N 478.379 2.704 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2302395776 YYLKWGODIJCURZ-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)CI 2306818842 OHBQYTPDUGPWCZ-ZDUSSCGKSA-N 453.365 2.505 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)c1 13976172 CRNATHPZYQUJHG-UHFFFAOYSA-N 456.568 2.740 50 10 JFGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)c1 263632504 JTHUYQMLKAUZCH-UHFFFAOYSA-N 450.539 2.654 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1627413972 ATFRHUIDUAWMOQ-WNPPMXKSSA-N 453.502 2.832 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4c(c3)OCO4)c(=O)c2c1-c1ccccc1 1860770223 YKJOLHDHZKSJSA-UHFFFAOYSA-N 462.487 2.623 50 10 JFGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851885 JGKHRGFCAHNWJS-UHFFFAOYSA-N 454.552 2.516 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2078432200 ICRFXLRBJDJVTK-JKIFEVAISA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCCC[C@@H]21 2163051193 QTAGPMSSVGZGDM-JKSUJKDBSA-N 466.442 2.954 50 10 JFGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248891841 GKYJWXZPGBDZOL-INIZCTEOSA-N 478.379 2.876 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(C)CCC[C@H]1Br 2258814387 PKOIHPUBWSCWKT-LZQZEXGQSA-N 475.380 2.884 50 10 JFGE O=C(CN1C(=O)SC(=Cc2ccc(Br)cc2)C1=O)NNC(=O)c1ccccc1O 2297313685 OAWLVJFBRIPOQR-UHFFFAOYSA-N 476.308 2.652 50 10 JFGE CN(CCOCCI)Cc1c(Br)c(Br)nn1C 2306799506 OBGWWWAMEOOOFY-UHFFFAOYSA-N 480.970 2.829 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2320949512 DHYIRLMXZPKNGL-ZIAGYGMSSA-N 483.306 2.793 50 10 JFGE O=C(c1cc(I)sn1)N1CC2(CCOCC2)[C@@H]1CBr 2352875210 XHMPJJOTLPUVME-VIFPVBQESA-N 457.131 2.764 50 10 JFGE C[C@H](Br)C[C@@H]1COCCN1C(=O)c1c(Br)c(Br)nn1C 2364229960 GIXIRBFOGGHHHD-JGVFFNPUSA-N 473.991 2.960 50 10 JFGE CCn1nc(C(=O)NNC(=O)/C=C\c2c(C)nn(CC(C)C)c2Cl)c2ccccc2c1=O 208816117 VCLSKNSYXRFDDP-KHPPLWFESA-N 456.934 2.705 50 10 JFGE COc1ccccc1/C=C\C(=O)NCC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254625316 PLZAEHHFPXRNDA-VLSIVNTQSA-N 468.513 2.892 50 10 JFGE C[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866621876 DQBARGLIWOOLQR-OAHLLOKOSA-N 458.565 2.947 50 10 JFGE C/C(=N\NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC(=O)O)cc1 2059036970 WKSVDROOYZJRCB-LPYMAVHISA-N 474.520 2.561 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H](C)C1NC(=O)OC(C)(C)C 2106771503 JDLPRUQXPJKFPP-STQMWFEESA-N 454.431 2.572 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OCC1(C)C 2111235398 BLFOWPZRCOMKNE-AWEZNQCLSA-N 487.416 2.513 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204524760 IEXQXLAWISHLKP-VNTMZGSJSA-N 457.434 2.855 50 10 JFGE CC(C)c1cc(B(O)O)cc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2255788793 VYTYWZSEHVFSPX-UHFFFAOYSA-N 472.350 2.758 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2282806030 GCSNUAPVIBTXOZ-YMTOWFKASA-N 454.077 2.914 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)NCc1sc(Cl)cc1B(O)O)Cc1ccccc1 2303771746 AHVKFIFOLUGTAH-UHFFFAOYSA-N 466.796 2.915 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(C)o2)c(Br)c1 2313619251 XFKWVFGHLACXRV-UHFFFAOYSA-N 452.330 2.773 50 10 JFGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2314737900 BDQLFZFVTVKTMH-UHFFFAOYSA-N 485.452 2.713 50 10 JFGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338838377 WOFYYROGTSYDIE-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE C[C@]1(CCl)COCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364189821 FQRQQZOKWHTUJG-OAQYLSRUSA-N 456.992 2.750 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 1954494 DZLUXIJNOMBEHO-FAJYDZGRSA-N 469.501 2.748 50 10 JFGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 15985687 ZEXZRUPBNIXOJK-UHFFFAOYSA-N 495.557 2.808 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 58989626 DDMRSEIGIHRREZ-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE CC(C)(C)Oc1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891770 BWAMIAPWDMKEJI-ICODJCHTSA-N 453.524 2.619 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)N2CCc3ccccc32)c(-c2ccccc2)n1 729901063 AIVQSGLLFBZUEU-HKWRFOASSA-N 472.530 2.794 50 10 JFGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 1084259861 ZWGPPJDZCLEVMG-UHFFFAOYSA-N 465.422 2.962 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1 1467403711 LDSVEKZEHOCYMV-UHFFFAOYSA-N 454.430 2.591 50 10 JFGE C/C(=C\C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccccc1OC(F)F 1617990396 QMJQOXPYKQABNP-VAWYXSNFSA-N 452.483 2.754 50 10 JFGE C#CCCCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 1658192063 DGMVJXPQRZGPNQ-UHFFFAOYSA-N 458.540 2.867 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851872 IVQBCNUHFUAGPB-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE CCC(CBr)(CBr)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1977418680 TVXKTMCPYVKTQJ-UHFFFAOYSA-N 470.227 2.660 50 10 JFGE O=S(=O)(C[C@@H](Br)c1cccc(F)c1I)N1CCOCC1 2145641111 JJYOJQFDFXEXIB-SNVBAGLBSA-N 478.121 2.528 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2179817149 OEVYRLDABYGCLF-LJQANCHMSA-N 453.406 2.900 50 10 JFGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(O)c1 2195479629 RPVFCZFHULVXTE-MWLCHTKSSA-N 454.102 2.917 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2206181339 ZHFXKINEWRNURX-IJEWVQPXSA-N 466.442 2.716 50 10 JFGE CO[C@@H]1CN(C(=O)c2ccc(I)cc2)[C@@H](CBr)[C@H]1OC 2233354018 IKMCAJBMTNEFHA-YNEHKIRRSA-N 454.102 2.541 50 10 JFGE COc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2257384853 YFYOFSVRFJXZAH-UHFFFAOYSA-N 474.322 2.631 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCCOCCBr 2316825823 FSUOFROWNDHFJP-UHFFFAOYSA-N 475.405 2.564 50 10 JFGE CO[C@H]1C[C@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338690138 CXHDVGSAOSAVMS-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2cccc3ccccc23)nnn1-c1nonc1N)c1ccccc1 254824248 RDOUEWOQGYNKSD-UHFFFAOYSA-N 467.493 2.786 50 10 JFGE O=C(NCCN1CCC(Br)CC1)c1cc(I)ccc1O 321376394 AIYOVYHZOYHTRA-UHFFFAOYSA-N 453.118 2.586 50 10 JFGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 1084036711 USRAUTFHAHEQQR-HXUWFJFHSA-N 458.511 3.000 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1OC 1447136187 AAUQGASGDIWPNW-UHFFFAOYSA-N 452.467 2.742 50 10 JFGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 1772749992 UREDLMJBOJSRMU-UHFFFAOYSA-N 464.478 2.800 50 10 JFGE CCN(C(C)(C)CBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534131 UNMXGDGPEHFCNJ-GOSISDBHSA-N 463.369 2.836 50 10 JFGE CC(C)N(C[C@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535055 XRPORPHLPUIXRH-UGSOOPFHSA-N 463.369 2.834 50 10 JFGE CCC[C@@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541786 IWCWQVOAIDOXDO-ROUUACIJSA-N 463.369 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106306383 YEWPMHPXZVPFLH-OTVXOJSOSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2169006902 XXJCOFNRWPFWIP-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2315138969 MKCIREVDJRJPSQ-ZYSHUDEJSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C[C@@]1(CBr)CC1(F)F)C2 2379987211 FHQVXTHCIRJVEY-IRXDYDNUSA-N 455.340 2.745 50 10 JFGE COc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 3038015 YKVWPPGEFKVJRM-VULFUBBASA-N 476.445 2.703 50 10 JFGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c1 40619479 JDKQEAZCMPNPRZ-UHFFFAOYSA-N 469.414 2.740 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(C)C[C@@H]3Br)CC2)cc1 1131375204 IYZNCMRZRRQDKX-PKOBYXMFSA-N 457.390 2.580 50 10 JFGE C=CCOc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 1658618611 ADCLJFPDADVONU-UHFFFAOYSA-N 458.540 2.893 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCCO1 1926746659 QXPPKECVPWNHBT-CABCVRRESA-N 487.416 2.561 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)CI)Cc1ccccc1 2007718927 HHSGQKAFHMKRRZ-CQSZACIVSA-N 468.357 2.824 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1c(Br)cccc1Br 2033092968 FDZYTXYVUNTXTE-MRVPVSSYSA-N 490.917 2.918 50 10 JFGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022395 JSMUNOWPIONKMW-BFUOFWGJSA-N 475.380 2.979 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2106774060 OGDQNGSKXDNXLB-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2140563291 HBFSCIBJPJPJKF-HFJWLAOPSA-N 486.377 2.936 50 10 JFGE O=S(=O)(C[C@H](Cl)c1ccc(I)c(Br)c1)N1CCOCC1 2145637566 ZRJRKHQHOWMKDE-NSHDSACASA-N 494.576 2.996 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H]2COC[C@@H]21 2158391438 DKVWKJHEFZVMCO-MIMYLULJSA-N 490.011 2.994 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CCl)(C(F)(F)F)C1 2167690909 XZUIZYLOMBYWMX-SJORKVTESA-N 470.872 2.834 50 10 JFGE Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](Br)CBr)cc1[N+](=O)[O-] 2172979359 WAUYCNSYEBNQIT-ZETCQYMHSA-N 450.536 2.993 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2248419492 BPBPKEZDKNBNSJ-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2248897693 XUYBZTPVAYYULZ-UHFFFAOYSA-N 462.286 2.761 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2314905723 PIFMHVCLGJIJTC-BKTGTZMESA-N 473.364 2.590 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2317612686 IRMSCQWNMGKTCW-JOCHJYFZSA-N 492.406 2.978 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2317658832 PPBKOJUFSSSLNQ-GKVSMKOHSA-N 472.350 2.861 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 13977402 SZPGEEKDLJGETB-XBXARRHUSA-N 464.887 2.614 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccccc2OC)c1[N+](=O)[O-] 40658540 XXRRNDLEPRWWAM-UHFFFAOYSA-N 452.427 2.705 50 10 JFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118920352 LFDSJZUWJKJWAH-REKNCFNESA-N 480.985 2.688 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 254700232 KBCJIWFLXZEURS-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE C[C@@](CBr)(NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 703957917 JDRQPWMUOFCPNG-IBGZPJMESA-N 451.342 2.512 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1Br 707365648 SQNXIPZBCVRNMZ-HOTGVXAUSA-N 457.390 2.934 50 10 JFGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCOCC2)cc1 730583127 JQNAUVRMJOQBFP-KRWDZBQOSA-N 481.578 2.875 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cccc(Oc3ccccc3)c2)n1)NNC(=O)C(F)(F)F 1084210113 VHEHMWOZLLMIPF-UHFFFAOYSA-N 479.444 2.845 50 10 JFGE CC(C)N(CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867232981 ICPBFNYPEVUWRZ-HNNXBMFYSA-N 478.571 2.941 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNS(=O)(=O)CI)CC1 1984184438 OWDROTXRDQOYPL-YEORSEQZSA-N 464.341 2.722 50 10 JFGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022359 JODJVNRHYMAENK-BIENJYKASA-N 475.380 2.836 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CC1(CBr)CCCC1 2127125482 IDMBEBSJPVJIQF-UHFFFAOYSA-N 451.427 2.662 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179820343 XCYQECPBTFHWJY-VAMGGRTRSA-N 456.450 2.792 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2256596959 BUCJXMUUAXLHFC-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2OCC[C@]2(CBr)C1 2296352329 DUFQQMABWMWXPJ-ZFWWWQNUSA-N 450.114 2.846 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2355844880 FXOCRGQQZGQXMN-FYQPLNBISA-N 457.434 2.855 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2364196835 FHFQCTLERDDGQQ-IERDGZPVSA-N 499.427 2.516 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)ccc1Cl 14011381 KITWBFBWPGSQLG-UHFFFAOYSA-N 477.970 2.615 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14019148 GKGLCULLVWZEJT-UHFFFAOYSA-N 452.248 2.939 50 10 JFGE Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)CCl)CC3)c12 35912588 SXBQZLFUYVFEHN-UHFFFAOYSA-N 454.962 2.905 50 10 JFGE CC(=O)n1c(SCC(=O)NNC(=O)CSc2nc3ccccc3o2)nc2ccccc21 59449010 KMBVDMOAMCXUIQ-UHFFFAOYSA-N 455.521 2.869 50 10 JFGE Cc1cccc(C)c1NC(=O)CCCC(=O)[C@@H]1C/C(=N/NC(=O)CC#N)CC/C1=N\NC(=O)CC#N 105636532 KBHLMFJUCPEANI-SPRSKBDJSA-N 491.552 2.553 50 10 JFGE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 1084191071 VSYCQUWSPSHHIE-UHFFFAOYSA-N 484.561 2.789 50 10 JFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084475823 LAXUHGQMYSKPOW-UHFFFAOYSA-N 485.526 2.607 50 10 JFGE C[C@H](C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770299 BTEPCQXZJGGLBL-LLVKDONJSA-N 466.972 2.561 50 10 JFGE Cc1nc(I)c(I)n1CCI 1934760097 IXMOHJRXKWGYSS-UHFFFAOYSA-N 487.848 2.836 50 10 JFGE C[C@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C1CC1 1942792983 WLQOPSQMLHYEPB-LJQANCHMSA-N 457.390 2.936 50 10 JFGE C[C@H](Br)C1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046028555 JJXLYVASRIPBSU-DJJJIMSYSA-N 475.380 2.836 50 10 JFGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050618242 JVHRPMUYPOAQAD-ORAYPTAESA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106776768 LMAIEJRZOTXJHJ-AWEZNQCLSA-N 454.431 2.717 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Br)cc1Br 2121335838 CPPPXTSKAPWSTJ-VHSXEESVSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CNS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2162587363 SDULKADNQXJQBN-MAUKXSAKSA-N 466.442 2.860 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178087404 QTOZDXGINYLAAH-PEXQALLHSA-N 454.077 2.912 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508842 GSQSZBHATHTKII-MOPGFXCFSA-N 454.390 2.574 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2269550265 SGPFLAQXJGTWOA-UHFFFAOYSA-N 484.361 2.963 50 10 JFGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Br)cc2F)c1-c1ccccc1 1497282 VQOIBZFHHBWNSS-LSFURLLWSA-N 471.250 2.565 50 10 JFGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502070 LEZHLGRHXHCZPC-UHFFFAOYSA-N 463.903 2.611 50 10 JFGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccc(Cl)c1 14005167 YJNZSCHDYRAWLW-UHFFFAOYSA-N 459.696 2.894 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 14019366 PGRSZMDYORCBJG-UHFFFAOYSA-N 464.341 2.972 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c(OC)c1 58990063 XETRTEQMUXFJLK-LSHDLFTRSA-N 491.371 2.681 50 10 JFGE COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1O 169920267 AZLBMFPZNUMOIR-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCCCCCI 707412187 GBHJSBHEFBHLJO-UHFFFAOYSA-N 478.352 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CC2(COCCN2S(=O)(=O)c2ccc(CBr)cc2)C1 1260505830 RJWJQNVMTHJAPI-UHFFFAOYSA-N 461.378 2.592 50 10 JFGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2=S=C(c3ccc4ccccc4c3)C=C2)cc1 1860391607 QTKQLCNGJCEMSQ-UHFFFAOYSA-N 479.583 2.547 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](N1S(=O)(=O)N1CCC(Br)CC1)C21CC1 1905924008 VCHBLGMQCRCZDI-UONOGXRCSA-N 450.399 2.869 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)C[C@H]1c1ccccc1 2065729116 QZMCSHFWYUGDBO-CABCVRRESA-N 480.368 2.949 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084888802 KGLNEKLJIGYSQG-PJIJBLCYSA-N 475.380 2.694 50 10 JFGE O=C(OCc1ccccc1)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2106297605 GXBASKDASAIFKD-GOSISDBHSA-N 486.432 2.871 50 10 JFGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCC(Br)CC2)CCCCC1 2106298825 RBCVMAWUYWDRSM-UHFFFAOYSA-N 454.431 2.908 50 10 JFGE C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2106778229 BGQHMYWSHWOPPN-UKRRQHHQSA-N 454.431 2.858 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2257371679 FFECHXFDDSFETQ-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2257387266 MWAUOGLHBMDQDG-QGZVFWFLSA-N 472.350 2.861 50 10 JFGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(O)c1 2279403449 AKDIETYLQNLFKX-ONGXEEELSA-N 454.102 2.917 50 10 JFGE C[C@H]1[C@H](C)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2321279298 IRKOMDMGEKNSHN-QOFYIIDASA-N 475.380 2.834 50 10 JFGE COc1cc([N+](=O)[O-])c(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1O 2323648557 QZBNZDBVHBWYHY-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1C 14662498 IKQVXUGDHAXHBO-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE Cc1ccc(C)c(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(C)nn34)CC2)c1 20286971 MTVDBHPRXYYYKA-UHFFFAOYSA-N 486.580 2.775 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCOC)cc2OC)cc1 206410841 FLNKPJBFYXODBI-AQTBWJFISA-N 454.479 2.748 50 10 JFGE N#C/C(=C/NCCCN1CCCC1=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216485418 UWDFHAZUARGIPS-LVWGJNHUSA-N 471.605 2.930 50 10 JFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccc(C(=O)O)cc1 254757054 VNQCVNCUXQUVEU-UHFFFAOYSA-N 482.474 2.639 50 10 JFGE O=C(NN=Cc1cccc([N+](=O)[O-])c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254870283 SNOZQNMHMSANEV-IQHREGGFSA-N 474.429 2.950 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@H]1CBr 1942097597 IQZMBKNIDXVMIP-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE CC[C@@H](C)N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544867 QJMOTGHGCXYJNV-FZKQIMNGSA-N 463.369 2.836 50 10 JFGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545535 SIMNFSJRVBQTRM-HDMKZQKVSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2032666093 KGWSMUBWIFVOGT-HNNXBMFYSA-N 479.343 2.887 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106781763 KXGFGDXAQKZDSZ-OAHLLOKOSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163055508 IQTZQLZEAUCNTO-MKZZRHPPSA-N 466.442 2.858 50 10 JFGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1cc(I)cc2c1OCC2 2174594687 QJMLTOIQEHPYLL-MROQNXINSA-N 469.138 2.953 50 10 JFGE COCCOCCN(Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1 2179787321 NELJTMZCDBUGOU-UHFFFAOYSA-N 460.394 2.522 50 10 JFGE OB(O)c1cccnc1Nc1cc(Br)c(Br)c(Br)c1 2231675153 UGZNDIDKNYARRQ-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2256637319 SYIQCDZWYJWJOK-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2C1=O 2313815236 CXAXMWVIGJHKCQ-QGZVFWFLSA-N 484.468 2.737 50 10 JFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1O 2323647619 AZLBMFPZNUMOIR-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CCl 2336524258 IWQPMILYNRTPEC-UHFFFAOYSA-N 458.861 2.738 50 10 JFGE CCc1c(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 3637696 RDONKDSTGOIPLZ-BHGWPJFGSA-N 454.535 2.859 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 9822013 GHHOOUGONCWPES-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCOc2ccccc2)cc1 13623192 FWWGQRQDZQQSCL-QFIPXVFZSA-N 473.529 2.954 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630251 BJYMHYSJVCCROX-INIZCTEOSA-N 472.567 2.533 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cccnc2)nnc1-c1ccc(Br)cc1 58989727 ZRKIIHYJQGOEIY-WSDLNYQXSA-N 460.361 2.839 50 10 JFGE CC(=O)OC[C@@H](OC(C)=O)C1=C[C@H](C=NN(C(C)=O)c2ccccc2)NN1c1ccccc1 256015759 ZJRYJRBRPBMWNW-HYBUGGRVSA-N 450.495 2.797 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771047 HILOEGBMAMLKDJ-RYUDHWBXSA-N 455.496 2.513 50 10 JFGE O=C(CCC(=O)c1ccccc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771403 VKBRXKKOHQTNAZ-UHFFFAOYSA-N 460.515 2.936 50 10 JFGE C[C@@]1(CCBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2014779704 LCROAHMXTVYEQL-LJQANCHMSA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2163054160 UWEVLPVSRUMGCR-OAHLLOKOSA-N 466.442 2.860 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2284014497 AGWFOEOVKASLGG-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2297554567 HTOXXLKJIRQQOH-UHFFFAOYSA-N 461.590 2.514 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2313616921 XQTNRMMAQLPHEH-UHFFFAOYSA-N 450.476 2.862 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@@H](CBr)C1 2338849689 KVDOIWMPBXEJNU-INIZCTEOSA-N 487.416 2.516 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@](NS(=O)(=O)N3CCC(Br)CC3)(C2)C1 2358099054 FVOOZLVYXOHVDN-RDTXWAMCSA-N 466.442 2.860 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2364016933 DZKTXWSJJUUQRL-XLPZGREQSA-N 471.975 2.712 50 10 JFGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)CN3C(=O)COc4ccccc43)c3ccccc3C2=O)cc1C 38184036 DNKGWQMBAYZYIO-HYARGMPZSA-N 496.523 2.878 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc([N+](=O)[O-])c1O 169920604 PWAHEJURBOHLGN-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NNc1ccc(Cl)cc1 253569413 MHERDXXXOSJSBQ-UFWORHAWSA-N 491.877 2.956 50 10 JFGE COc1cc(C=NNC(=O)CP(=O)(c2ccccc2)c2ccccc2)c(O)c([N+](=O)[O-])c1 254402046 HYSNKFIIBCOPPW-UHFFFAOYSA-N 453.391 2.773 50 10 JFGE COc1cc(C(=O)NN=Cc2ccc(O[C@H](C)C(=O)O)cc2)ccc1I 1083901327 DKDQQOFLNZNBOW-LLVKDONJSA-N 468.247 2.916 50 10 JFGE C/C(=C/C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1OC(F)F 1546252338 ZJHUYDCCRSKYKS-BENRWUELSA-N 453.305 2.518 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745641 DYIQVJQCFAEWFU-UHFFFAOYSA-N 458.946 2.774 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859005540 GHCPWDJNRQATKK-UHFFFAOYSA-N 488.453 2.579 50 10 JFGE C=CC[C@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2023592710 ANDJWJCQWPIMHI-LJQANCHMSA-N 457.390 2.960 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCC[C@H](CN(S(=O)(=O)N3CCC(Br)CC3)C1)C2 2358294095 WVHSIHASCFLBKF-KSSFIOAISA-N 466.442 2.860 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Br 9229845 BFECCQHYHYUFOB-RUDMXATFSA-N 479.312 2.715 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 10154419 DBYRWWTVBRUBAF-KRWDZBQOSA-N 459.568 2.822 50 10 JFGE COc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)Nc3ccc(O)cc3O)c3ccccc32)cc1 15778132 PHRMBVQHLAKNCC-QYQHSDTDSA-N 475.461 2.618 50 10 JFGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c1 41012139 RGBOUIZHRSQIPO-VCHYOVAHSA-N 452.463 2.697 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41016484 KKYRBUKBUVKDAU-XMHGGMMESA-N 466.490 2.844 50 10 JFGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 217003968 PWTCOADJZQVRJB-BENRWUELSA-N 482.303 2.705 50 10 JFGE CCN1C(=O)C(=NNC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 254761659 VGFZXFZXVGKSPY-UHFFFAOYSA-N 467.489 2.543 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2nc(C)cs2)cc1 727678284 QFMKEBUISQGAOB-ADFUCPMPSA-N 464.551 2.983 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCOc3ccccc3C2)cc1 920853541 BKRQEIDWDBJKRB-ZHZULCJRSA-N 471.517 2.762 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046682541 ILORTTXZZKKNGE-LPMFXHHGSA-N 475.380 2.694 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CC2 2070149928 NOUCXNKXFQFENX-CQSZACIVSA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 2089706902 HTLRHBMOPSZRJL-QGZVFWFLSA-N 479.396 2.988 50 10 JFGE CN(C)[S@](=O)(=NC[C@H](CBr)C1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106782894 VAVWDPWDGXTHKT-QWXGXRTQSA-N 453.447 2.820 50 10 JFGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128879056 WFPBGXKBXWZVNP-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2163057644 CXVGIELQCYRUOQ-HOTGVXAUSA-N 461.378 2.590 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2256597730 IYDLXZSVPHCFQN-QGZVFWFLSA-N 470.334 2.573 50 10 JFGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2296849704 AKNYMNDENYFOQS-UHFFFAOYSA-N 493.589 2.849 50 10 JFGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314233802 NPJIRZUAJQHQNQ-FCEWJHQRSA-N 473.364 2.755 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)C1 2325887587 OYWCAOAWBJTGFK-VXGBXAGGSA-N 487.563 2.974 50 10 JFGE NNC(=O)[C@H]1CC[C@H](COCc2cc(I)ccc2Br)C1 2367269411 UJVSILVKEQQWRR-UWVGGRQHSA-N 453.118 2.977 50 10 JFGE NNC(=O)[C@H]1C[C@@H]1CCCOCc1ccc(I)c(Br)c1 2377632974 JBJNSEPXMZSHTL-QWRGUYRKSA-N 453.118 2.977 50 10 JFGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])CC(C)(C)N1 40645219 VBVHTAZIWSCVIM-UHFFFAOYSA-N 458.479 2.771 50 10 JFGE COc1cccc(-c2c(C(=O)NN=Cc3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)c1 254352805 ZHJPTBSSFQACPZ-UHFFFAOYSA-N 472.387 2.691 50 10 JFGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 254582953 HYXHYHPVIDWBBA-UHFFFAOYSA-N 481.530 2.827 50 10 JFGE O=C(CNC(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254683142 QKRZBXKRTYHRAR-UHFFFAOYSA-N 465.487 2.619 50 10 JFGE NC(=O)[C@H](Br)Cc1cc(I)cc(I)c1 690364241 PGKTXVLAKQOSBY-MRVPVSSYSA-N 479.881 2.687 50 10 JFGE C[C@H]1[C@@H](Br)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704003896 UIURWCCOZAOOTC-BBRMVZONSA-N 457.390 2.886 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)c(F)cc3F)CC2)cc1 1466109362 DDNYPFFCDZXFJN-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904429157 CFUCUIPCUBQRFW-BFUOFWGJSA-N 465.638 2.945 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@H](CCBr)CC1 1944705355 YFGOBGWAHZSQHU-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)CCC[C@H]1Br 2011548699 QIACHBRPFRZKTF-BEFAXECRSA-N 457.390 2.934 50 10 JFGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018108878 SKAJANSFGMZAPZ-CZUORRHYSA-N 457.390 2.886 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2037824528 HGMMZCPKWDXMHE-AWEZNQCLSA-N 469.401 2.888 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2046023317 RGOUGIJSEVBXSM-ACWOFJMJSA-N 475.380 2.836 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2056573077 VCLVGWGGSODLRU-OALUTQOASA-N 473.364 2.592 50 10 JFGE CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106773040 JLSVRWNLDAIOGE-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CN(C[C@@H](COCc1ccccc1)Oc1ccc(B(O)O)c(C(F)(F)F)n1)C(=O)OC(C)(C)C 2240285108 RVWRSADTLIWSLY-INIZCTEOSA-N 484.280 2.611 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2)cc1I 13993057 PFOSCSLINRPMLQ-LBPRGKRZSA-N 454.264 2.837 50 10 JFGE CCn1c(SCC(=O)NNC(=O)c2cc(Br)cn2C)nnc1-c1cccs1 28719905 MNSOSZISQZZHTK-UHFFFAOYSA-N 469.390 2.681 50 10 JFGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 504544083 XZQPQOSSEMTXOW-VXCZRNDOSA-N 485.617 2.720 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1)NNC(=O)c1ccccc1 1084606919 IYZLKXHXECRWRB-UHFFFAOYSA-N 474.344 2.567 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)nnc1-c1ccco1 1529626966 OWHRYPUARFDBSD-AWEZNQCLSA-N 459.503 2.960 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771653 CJZFHQDOXOQMAD-GJZGRUSLSA-N 498.605 2.941 50 10 JFGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867082765 FWYOANLJCXAOCA-OAHLLOKOSA-N 491.595 2.779 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1 2022895987 SMSFXDFLSKVXFS-UHFFFAOYSA-N 479.665 2.675 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2022922404 ZUJXYAJEZJCEAJ-HUUCEWRRSA-N 477.649 2.593 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)C1 2046027354 BFCBZZBNFFKZNQ-LIRRHRJNSA-N 475.380 2.838 50 10 JFGE CC(C)[C@@H](CCN(C)S(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106772061 MAXUSGGWZJKKRR-OAHLLOKOSA-N 456.447 2.962 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2COC[C@@H]21 2189101708 ZMBVEURCDKNQEH-JKSUJKDBSA-N 461.378 2.590 50 10 JFGE O=C(N[C@@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1O 2195479470 QLSZWUQGYGSNKR-MWLCHTKSSA-N 454.102 2.917 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296664960 IEKLYFOFECVSGJ-UHFFFAOYSA-N 487.468 2.800 50 10 JFGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2297318644 QXNSHMPLCYDLEL-MRXNPFEDSA-N 498.948 2.659 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 243546865 OIAWKHFSULEVAF-BJKOFHAPSA-N 472.655 2.591 50 10 JFGE CN(C[C@H](Br)C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 690168135 BHQMNNUCIFPZBQ-INIZCTEOSA-N 457.390 2.744 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCc3ccccc3C2)cc1 920847256 CHGHLNWZBWHTNJ-KGENOOAVSA-N 455.518 2.926 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1N 1084411594 DKDULQFLQFYTKR-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 1772745871 MAJJUICBPCELCP-UHFFFAOYSA-N 490.516 2.907 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1860770054 QWHOSEFIKPICRY-UHFFFAOYSA-N 478.530 2.532 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1860771370 SWMVTZROMWKSRF-NEPJUHHUSA-N 485.522 2.522 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2256602239 WXGSVSLIABOJKG-VWLOTQADSA-N 472.350 2.546 50 10 JFGE C[C@H](Br)CN(C1CCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259750801 LQPRVRVMMPYYGI-ORAYPTAESA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2290219165 CAVPFZVXVGZESA-ZBFHGGJFSA-N 466.442 2.812 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296352326 DUFQQMABWMWXPJ-DZGCQCFKSA-N 450.114 2.846 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 2296732330 WNVOUBAWLIELCM-CALCHBBNSA-N 450.520 2.646 50 10 JFGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2304164244 MMQZLRJMQLWIHH-JJRVBVJISA-N 457.390 2.886 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](OCCBr)C1 2338863088 FOIUJSVJQNQNRP-SSDOTTSWSA-N 459.964 2.571 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2343449770 IVINRYUYBHCOGB-SNVBAGLBSA-N 457.944 2.807 50 10 JFGE COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1O 3112697 QJEPQOYKCQGAQG-HUXSYLCKSA-N 467.547 2.749 50 10 JFGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 3640574 NVRZUPUHEOAPAE-OPEKNORGSA-N 479.467 2.637 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596781 KYAPRHTZAUFULX-JJIBRWJFSA-N 450.451 2.740 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610829 LSSFJUHADFCJPU-NLRVBDNBSA-N 489.488 2.970 50 10 JFGE O=C(/C=C\c1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254399090 QJCOQGKFWICMTJ-XWWHQJGMSA-N 482.496 2.612 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccnc(N3CCCC3)c2)cc1 920850645 BDXUKLDBFMWNNH-RCCKNPSSSA-N 499.575 2.653 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2COc3ccccc3C2)cc1 920851186 CGJXVBZLEUZNIJ-LZAZYHHXSA-N 485.544 2.709 50 10 JFGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1084065152 SRJSAKDNLXNEJL-UHFFFAOYSA-N 468.543 2.656 50 10 JFGE C=C/C=C/CCNC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1248370662 GEZCUFIRYQBWRW-AATRIKPKSA-N 458.540 2.962 50 10 JFGE C#CCCCC(=O)NNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1558513358 AJULRGPMJAICSF-IBGZPJMESA-N 451.527 2.501 50 10 JFGE CC(=O)N(CCc1ccccc1)CC(=O)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 1641300784 VLPGUOIIGKMZTH-UHFFFAOYSA-N 458.444 2.514 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C[C@@H]1c1ccccc1 2007719378 IKMVTKVAFQJJPZ-KGLIPLIRSA-N 466.341 2.701 50 10 JFGE CN([C@@H](CCCl)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122007484 YXTQBHNEGPCEIC-BBRMVZONSA-N 458.861 2.832 50 10 JFGE COCCOCCN(Cc1ccccc1)S(=O)(=O)N1CCC(CCBr)CC1 2179954784 RHJYIGMULKKFQB-UHFFFAOYSA-N 463.438 2.893 50 10 JFGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2220340351 KKJHSQBPBGOYBP-LYMQGIMYSA-N 475.380 2.834 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2268649091 AMLIJVQCQBZTHX-DWXRJYCRSA-N 486.377 2.936 50 10 JFGE C=CCOc1c(I)cc(C=C(C#N)C(N)=O)cc1I 2296455799 NXUCKXGRAPUDKQ-UHFFFAOYSA-N 480.043 2.853 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(F)c(CBr)cc1F 2303338728 BYBXGMDJRPMRER-UHFFFAOYSA-N 459.268 2.898 50 10 JFGE COC[C@](C)(CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835717 HNJMCJAIUZUWKD-FQEVSTJZSA-N 489.432 2.953 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 14660580 AIHVKBMHUXXVFX-UHFFFAOYSA-N 453.520 2.580 50 10 JFGE O=C(Cn1ccc2ccccc21)NNC(=S)NC(=O)c1ccccc1I 14776387 CGLJVJKMFVGVJB-UHFFFAOYSA-N 478.315 2.582 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 254737335 OCDNWTMMEJMLCF-PQPXJSIUSA-N 496.614 2.536 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NCCCN2CCCC2=O)c(C)n1-c1ccc(F)cc1 786605274 FWWZVQZPVCPXER-ZHZULCJRSA-N 466.513 2.812 50 10 JFGE Cc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(C)(=O)=O)c(C)c1 1083873399 GJLFBAGEZVEGSF-UHFFFAOYSA-N 482.356 2.711 50 10 JFGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1084111891 IDTWYODOQHQRFM-UHFFFAOYSA-N 494.573 2.995 50 10 JFGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccccc1Cl 1084348392 HWAVBFBUXWOFAY-UHFFFAOYSA-N 489.857 2.953 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084439895 NRSDOBUGCNDZND-UHFFFAOYSA-N 465.531 2.814 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770956 DGOPONCAWIRFAX-NEPJUHHUSA-N 455.496 2.513 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](CNS(=O)(=O)CI)C1 1983326493 ANCHNBFSZHXHMB-LBPRGKRZSA-N 458.362 2.726 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)CI)c1ccccc1 1983327215 JZQRWUAODROMPB-CYBMUJFWSA-N 454.330 2.907 50 10 JFGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028227 HCDZSQGJNLTYQT-GPMSIDNRSA-N 475.380 2.979 50 10 JFGE Cn1cc(S(=O)(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(CCl)n1 2140596143 UZRPJHHSYPGLIR-SFHVURJKSA-N 498.049 2.559 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2257374208 RBMILZRUEHEZPB-DEOSSOPVSA-N 492.406 2.998 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2315144861 UUVHMRYLCKNGMP-FASAQXTFSA-N 473.364 2.590 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 13976591 YSJGIPXGHCORSU-DHZHZOJOSA-N 454.552 2.766 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)CC1 40814591 YVFFBWNETWKGBE-NCELDCMTSA-N 467.526 2.673 50 10 JFGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(O)nc2O)cc1 730558931 XHYMMFGAKFRQQO-UHFFFAOYSA-N 461.507 2.686 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCC(=O)NCc2cccnc2)c(-c2ccccc2)n1 743949111 AGNLVFPVWPMSMN-KGENOOAVSA-N 453.506 2.588 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084286199 LIJWFFWJRXSUFW-UHFFFAOYSA-N 462.890 2.618 50 10 JFGE CC(=O)N1CCN(c2ccc(C(=O)NNc3cc(Cl)nc(Cl)c3)cc2[N+](=O)[O-])CC1 1162693309 KYTAOTVUPOTWOA-UHFFFAOYSA-N 453.286 2.722 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@]2(CCCO2)C1 1924211262 BWKUEWHBBZZHDT-QVKFZJNVSA-N 454.976 2.501 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 1949275769 VOTBTPMYHYAHQA-QKDCVEJESA-N 455.374 2.783 50 10 JFGE C[C@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2001930689 UEVKHUZMYUPIOE-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046037414 YSCIPTLPVGUWJO-BFUOFWGJSA-N 475.380 2.836 50 10 JFGE O=S(=O)(Nc1ccc(F)cc1I)N1CCC(Br)CC1 2105891800 UVSYCWQGYPUGOR-UHFFFAOYSA-N 463.110 2.946 50 10 JFGE CCC1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106773483 SBBYOOIEUOYTQE-UHFFFAOYSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CCN2S(=O)(=O)N1CCC(Br)CC1 2197321223 GGJLCQWDMBJSQE-KDOFPFPSSA-N 466.442 2.860 50 10 JFGE O=C(N[C@@H]1C(F)(F)C12CC(NS(=O)(=O)N1CCC(Cl)CC1)C2)OCc1ccccc1 2240603260 FANBTDJGWVLQJI-PQUAAJSLSA-N 463.934 2.617 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2256597254 FJQQMQFFMLOGQY-IVZQSRNASA-N 493.394 2.563 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2284015810 RYXCDDHDLKKRSE-MHZLTWQESA-N 498.388 2.814 50 10 JFGE C[C@@H]([C@@H](Br)c1c(Br)c(Br)nn1C)S(=O)(=O)N(C)C 2316719021 ZSJKTKPREIHJNO-NTSWFWBYSA-N 468.009 2.661 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616045 NPLIHCBVEUYXED-LFVJCYFKSA-N 466.519 2.960 50 10 JFGE C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 102863582 SJQNCQGRNGHRCS-XLNRJJMWSA-N 468.561 2.534 50 10 JFGE COc1cccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1084202015 JUMIGXREYQFWOI-UHFFFAOYSA-N 473.946 2.856 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(C)C[C@@H]3Br)CC2)c1 1588025764 GQFMZIGVDPXBPS-PKOBYXMFSA-N 457.390 2.580 50 10 JFGE CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852287 RLWPRGOAZCMBIA-UHFFFAOYSA-N 485.566 2.577 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2033537123 IFUJEBRROGBFLM-BMGDILEWSA-N 469.401 2.888 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(Br)C2)C1 2053753977 HISZKTAMFVFMKS-HRJVKACCSA-N 473.364 2.590 50 10 JFGE COc1c(Br)cc(Br)cc1C=C(C#N)c1nn(CCO)c(N)c1C#N 2297322124 VNDGHASCMBUQGW-UHFFFAOYSA-N 467.121 2.927 50 10 JFGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338690136 CXHDVGSAOSAVMS-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE CC(C)C[C@H](CBr)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2353823522 BQRLEDIGKABZLD-OAHLLOKOSA-N 453.443 2.764 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CCC[C@H]21 2360232495 GOUQOJVVAOQCCF-VNQPRFMTSA-N 466.442 2.858 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2364190765 QJWYBTSAHDLFTN-ROUUACIJSA-N 499.427 2.847 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC 12569912 GAQUYEHHFGRVDB-UHFFFAOYSA-N 475.567 2.859 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1 14016366 PBRZLRSCVDETGD-UHFFFAOYSA-N 471.579 2.742 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1OC 14655736 OHZAKPBHPCLQBO-UHFFFAOYSA-N 482.356 2.571 50 10 JFGE COCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14659246 ZTBGHPUPRSTEGY-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C 19651406 UCYRPLKFJLPHFN-ZFVWIKOCSA-N 469.567 2.924 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 208150910 RKGUIQYYNGPQQR-DCRWIRHASA-N 457.534 2.840 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217158544 MIVCMHBMJGEWPS-ZPHPHTNESA-N 482.562 2.524 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Cl)ccc1I 234585518 PJZQIAUIURMHSW-VIFPVBQESA-N 493.466 2.651 50 10 JFGE COc1cc(C=NNC(=O)CNS(=O)(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 254847027 RPPFUMLMUMWBED-UHFFFAOYSA-N 495.557 2.960 50 10 JFGE CCC(CBr)(CBr)NS(=O)(=O)c1nc(C)n(C)c1Br 388297078 ZCLIBCFRSBEQDQ-UHFFFAOYSA-N 482.036 2.708 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)C1 730937537 VYDFOFACBFJAEZ-VHWUNXFSSA-N 499.413 2.553 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(OC)c(F)c2)cc1 920852870 ATQPXLGHKRZFCI-PDGQHHTCSA-N 477.496 2.805 50 10 JFGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084298134 PDGJYHOYVOUGKK-LJQANCHMSA-N 469.929 2.734 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084299664 KFEHXQGDQAFNTB-UHFFFAOYSA-N 470.345 2.555 50 10 JFGE CC(=O)N(CC(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccccc1 1136795872 LNQIYBOFFWWKLR-UHFFFAOYSA-N 451.527 2.708 50 10 JFGE CC(C)(C)OC(=O)NNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1540498712 MDBRNKGTKDBSIQ-SFHVURJKSA-N 459.547 2.923 50 10 JFGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1632166510 FXUSYAVQLXPIHF-LBPRGKRZSA-N 458.924 2.870 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)c1cccc(Br)c1 1634424902 AOZHFUMTFSXXCP-INIZCTEOSA-N 453.724 2.810 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3ncccc3C(=O)OC(C)(C)C)c2)CC1 1668876262 XVRBJGRWDIPBNP-UHFFFAOYSA-N 454.531 2.854 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2)C1 1872962413 STYAJLLYCLGMJC-RTWAWAEBSA-N 490.608 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC(F)F 1942090722 YUZXVWHZVWSUKO-LBPRGKRZSA-N 467.332 2.791 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234559526 PTBDHQNJEWLBBN-OTYXRUKQSA-N 454.077 2.914 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2257389711 YESZXJYGBGWFCI-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CCN(C[C@@](C)(CBr)OC1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 2270095476 SBYAJHRDOBQHEE-QGZVFWFLSA-N 457.431 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@@H]1CBr 2301116327 DJGDLPRVVWWXBF-CABCVRRESA-N 457.390 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@H](CBr)[C@H]2C1 2309714766 JOIJYNAKQYSFEJ-HDMKZQKVSA-N 469.401 2.746 50 10 JFGE C[C@H]([C@@H](Br)c1c(Br)c(Br)nn1C)S(=O)(=O)N(C)C 2316719022 ZSJKTKPREIHJNO-PHDIDXHHSA-N 468.009 2.661 50 10 JFGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 2325902798 FHXMZKZBTAWTQV-LLVKDONJSA-N 471.495 2.671 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CCl)OCC12CC2 2364217344 UWNHHOCUTJQHKT-INIZCTEOSA-N 454.976 2.645 50 10 JFGE CN(C)[S@](=O)(=NC[C@]1(CBr)CC1(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2379984316 LUBDZKXUHGLRSH-YVORESIASA-N 475.400 2.819 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1I 12502942 YXMRBMPCSXPVSH-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572525 MENHGDRBPKADFH-JTQLQIEISA-N 487.321 2.770 50 10 JFGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623519 KHKCOPYWOYUNFN-HXUWFJFHSA-N 482.606 2.796 50 10 JFGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2-c2ccccc2)cc1 20828771 QORPSJSCJWWUKW-UHFFFAOYSA-N 480.472 2.690 50 10 JFGE CN1C(=O)/C(=N\NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 27475159 FDVPSCNNXGBXSN-HTLVBYFCSA-N 469.457 2.863 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 40995031 DLNAEEPGGSLPAQ-CPNJWEJPSA-N 468.506 2.920 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 100437547 LMENZYMFIQEIBS-UFFVCSGVSA-N 451.273 2.869 50 10 JFGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1632166509 FXUSYAVQLXPIHF-GFCCVEGCSA-N 458.924 2.870 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751385 ANSPFIOJLPQLAS-UHFFFAOYSA-N 464.453 2.978 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NS(=O)(=O)CI)C(C)(C)C 1983328362 WPWZXQAGKMFNAR-MGUXCZDKSA-N 482.406 2.746 50 10 JFGE C[C@@H]1C[C@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 2008780662 QZKILPMGDQGLCP-NXEZZACHSA-N 486.294 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2008982998 AFNDKOCRYGIICE-JJRVBVJISA-N 455.374 2.640 50 10 JFGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C=Cc1ccc(Br)o1 2040426263 PLQUBGDZTACFNF-UHFFFAOYSA-N 457.664 2.722 50 10 JFGE O=C1CN(C(=O)c2scc(Br)c2Br)CCN1CCBr 2114639208 RJNMPHWILBKCMH-UHFFFAOYSA-N 475.000 2.952 50 10 JFGE C=CC[C@]1(CBr)CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2250466041 ZNUXODKNQXXXOR-LJQANCHMSA-N 455.374 2.666 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1CBr 2298234780 XDIHBIPYASAYOQ-VBQJREDUSA-N 455.374 2.640 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 2314776964 FGVKPNJPLHDXMD-UHFFFAOYSA-N 454.395 2.700 50 10 JFGE C[C@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 2324904300 RWTNNHFCVLRWGM-QNHAZURESA-N 456.612 2.595 50 10 JFGE O=C(COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)NNC(=O)c1ccccc1 9633813 DIAICOWEUMMMCL-FOCLMDBBSA-N 479.514 2.717 50 10 JFGE O=C(N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)/C(=C/c1cccs1)NC(=O)c1ccccc1 38167118 DWXVTOVIYOBPBT-PDGQHHTCSA-N 461.459 2.900 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1 105468704 DIMDOSHZKZBPCW-FLFQWRMESA-N 464.503 2.607 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(Br)s1 107696881 NSWGQDXUVRNSEF-CYBMUJFWSA-N 468.348 2.892 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@H]1CBr 169237379 JJSLTVBHMILRSO-SECBINFHSA-N 478.000 2.996 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 169918810 XZKKIJGZLWZTBV-CFRMEGHHSA-N 450.451 2.953 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccccc1Br 1083909190 DETOMWXWQNFOGS-UHFFFAOYSA-N 491.371 2.855 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084443971 RIVBLDCISXSBPA-UHFFFAOYSA-N 479.453 2.598 50 10 JFGE O=C(NCCCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 1115959101 MSNSHSSBHUWDOS-UHFFFAOYSA-N 498.175 2.976 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)C1 1860771400 VFOZRZCWSLCPBD-GJZGRUSLSA-N 466.563 2.954 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 1942097053 GAVQUXSHYUHJQA-LIRRHRJNSA-N 457.390 2.746 50 10 JFGE Cc1nc(I)c(NC(=O)[C@@H](C)Cl)c(I)n1 1975070935 MKATUOOHWDWQSZ-GSVOUGTGSA-N 451.433 2.560 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@](F)(CBr)C1 1995940309 PZRYLDGMOVYPDC-SFHVURJKSA-N 461.353 2.592 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1CCBr 2046029276 PJSNFXHDGOLXKM-AZOIQLNYSA-N 475.380 2.884 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)c1CBr 2179811905 NUBMUJBYWRDUCU-LPHOPBHVSA-N 453.406 2.756 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222303909 YIBZEHZRIXRXPG-NALNUFGESA-N 473.364 2.731 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248886431 OHVROFBPRBUBBP-UHFFFAOYSA-N 478.379 2.624 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2268608266 HANLIKQMSSZLNZ-SANMLTNESA-N 484.361 2.819 50 10 JFGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299341128 OKWOIHKARVVQEH-IRXDYDNUSA-N 455.374 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2364202873 XUROTLJBIWRCEP-HRAATJIYSA-N 499.427 2.801 50 10 JFGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623599 KBSIVFQQWDIGAN-QFBILLFUSA-N 468.579 2.548 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 20923613 FGRXDCDRRDXQSI-FOKLQQMPSA-N 461.910 2.987 50 10 JFGE Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40794848 WRMSDTSHVVSVEL-UHFFFAOYSA-N 483.532 2.856 50 10 JFGE CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@H](c2ccc(Br)cc2)NC(=S)N1 59384231 ZENOZFIHQWOZCE-AAWXNRKFSA-N 461.341 2.803 50 10 JFGE CO[C@]1(CBr)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959430 YZXLLESHSXXVPX-FQEVSTJZSA-N 487.416 2.515 50 10 JFGE COc1ncccc1CNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 920852999 DWIKGCZCZXWCJC-GZTJUZNOSA-N 464.913 2.706 50 10 JFGE C#C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(Cl)cc1F 1252479407 MKWWTJIQSONWLU-KRWDZBQOSA-N 453.927 2.905 50 10 JFGE COc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 1772719899 MSTUYZVJILTKFA-UHFFFAOYSA-N 487.354 2.711 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751956 PRBLJYKWTYXMBL-UHFFFAOYSA-N 488.497 2.722 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128151183 CQUZGMSTLCBETF-YYQBIWNASA-N 487.391 2.979 50 10 JFGE CCOC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731377 SIUCYPPSONQWOE-UHFFFAOYSA-N 457.534 2.795 50 10 JFGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)C1 2296849535 LTWHQPOXHJTUBD-GOSISDBHSA-N 489.532 2.599 50 10 JFGE CN(CCCC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(=O)OC(C)(C)C 729298555 MKOGWWWCGNAMOT-UHFFFAOYSA-N 493.564 2.853 50 10 JFGE C#CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 731012216 HSHWVBMUFICJHL-XDJHFCHBSA-N 469.501 2.992 50 10 JFGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(F)cc3)c(=O)c2c1-c1ccccc1 1860770342 DTRKCVPGCZUXBM-UHFFFAOYSA-N 472.523 2.582 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866924607 WNEVGFGXQIYPEU-DYESRHJHSA-N 487.603 2.846 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NCCOCCI)C1 1904643544 XEOZGDNRCNONGO-ZAMGYDSWSA-N 460.378 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCC2)CC[C@H]1CBr 1946659892 JLPPPWIOHHQTDL-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2055500172 UBWYNFZLAHAXDS-NSHDSACASA-N 485.322 2.944 50 10 JFGE CCCN1CCC[C@@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2145775846 HSPYIESDTMXNQO-WDEREUQCSA-N 476.178 2.665 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@]2(C)C1 2172923697 XOWNNYDFQALEJC-JCKWVBRZSA-N 466.442 2.716 50 10 JFGE C[C@@H]1COCCN1CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2257732857 LFQMNLPOMQIRDQ-OAHLLOKOSA-N 468.376 2.928 50 10 JFGE N#CC(=CN1CCC(C(N)=O)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608255 DFTPMZWJDXDGCT-UHFFFAOYSA-N 457.578 2.525 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(CCOCCI)CC2)C1 2326653539 IFFNCHIWESOAMW-CVEARBPZSA-N 467.392 2.501 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](COCc2cc(I)ccc2Br)C1 2367269412 UJVSILVKEQQWRR-VHSXEESVSA-N 453.118 2.977 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C1(C)C 703991652 UOEXCZMYGSAYCS-HNNXBMFYSA-N 457.390 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC12CC(CBr)C2 2046022761 MQHCHHRHAZCVSE-SZSCYUJKSA-N 473.364 2.590 50 10 JFGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2062183809 QFIXFRLDIQARKL-MDZRGWNJSA-N 475.380 2.834 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2162590154 YOQGNQISOMOKER-RBVVOMGSSA-N 466.442 2.858 50 10 JFGE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2163052093 ZNMAYYIKSZQDID-CWRNSKLLSA-N 466.442 2.668 50 10 JFGE C[C@H]1[C@H](C)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2321279297 IRKOMDMGEKNSHN-MCBIMKKHSA-N 475.380 2.834 50 10 JFGE O=C(Cc1ccccc1I)N1CC2(CC[C@H](CBr)O2)C1 2362006280 YQWAQRRUOPZSKA-GFCCVEGCSA-N 450.114 2.989 50 10 JFGE CN(NC(=O)c1ccc(Br)cc1I)S(=O)(=O)C1CCC1 2365273952 TYDBLZOGKBVSRQ-UHFFFAOYSA-N 473.130 2.513 50 10 JFGE COc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 13978127 AYGFUHYSALEEMA-UHFFFAOYSA-N 488.132 2.825 50 10 JFGE COc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 33959357 LEYHFELROUWJML-LHLOQNFPSA-N 487.354 2.853 50 10 JFGE O=C(O)COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889605 YAKYYSYILLOHCF-SJJOQSKNSA-N 482.274 2.719 50 10 JFGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NNC(=O)C1CCC1 59845439 CRYWHOQPRBEURD-UHFFFAOYSA-N 452.496 2.882 50 10 JFGE COc1ccc([C@H](CNN(CCNC=S)C(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 586403776 DWWSTUBDJDJFGL-SFHVURJKSA-N 454.518 2.909 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccc(Br)cc1 1084497761 OGEPKNUYLKRULQ-UHFFFAOYSA-N 459.373 2.782 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851990 MJTSTJRBQKZIDZ-GFCCVEGCSA-N 460.943 2.605 50 10 JFGE Cc1cc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Cl 1872962069 PGCUJCKMLZOSDA-DLBZAZTESA-N 455.946 2.778 50 10 JFGE CC(C)[C@@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533044 OFKOUIJRQVQKHQ-QZTJIDSGSA-N 463.369 2.740 50 10 JFGE CN(C[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2106773466 LNBHZUMLCDVDEV-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)Nc2ccc(B(O)O)cc2)c1 2180981391 UDPXDBXSYCRSKX-UHFFFAOYSA-N 482.083 2.570 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC2(C1)OCCC[C@H]2Br 2364021686 IFTAVTWARNWMQY-SSDOTTSWSA-N 471.975 2.714 50 10 JFGE CN(C)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccccc2Cl)c2cc(Br)ccc21 2299133 XBQBIPBMRPVVIC-WIRMMCIHSA-N 492.761 2.839 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1I 13993060 PFOSCSLINRPMLQ-GFCCVEGCSA-N 454.264 2.837 50 10 JFGE O=C(NNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1ccc([N+](=O)[O-])cc1 15272186 XINZIGDWCZXUDX-UHFFFAOYSA-N 458.430 2.508 50 10 JFGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)c1 40811292 QHSBLGAGERSFJT-NHFJDJAPSA-N 452.555 2.819 50 10 JFGE COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1 100338863 AKQFTXMGBYLGFN-RMLRFSFXSA-N 456.502 2.535 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc1OC 254554998 OIHNHTCAEYXOHQ-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(F)cc3)nnn2-c2nonc2N)cc1 254791562 ROAIGCFYHSWCFQ-UHFFFAOYSA-N 452.475 2.736 50 10 JFGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCC(=O)O 1084120654 JGWDRVDIWQKDKX-UHFFFAOYSA-N 460.249 2.589 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771078 IPLHITYPZBMZIA-UHFFFAOYSA-N 478.530 2.750 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCC1 2000545544 SKIULOFVWLDHPE-KRWDZBQOSA-N 461.353 2.638 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C2CCC1(CBr)CC2 2046026733 UROIHSWOBLZOOC-SZSCYUJKSA-N 473.364 2.733 50 10 JFGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1nc(C)n(C)c1Br 2136492592 PVWZRPLIBMKDBG-IONNQARKSA-N 464.167 2.619 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](C2CC(NS(=O)(=O)N3CCC(Br)CC3)C2)C1 2280211916 VBXYYARTWBIKBY-VQCLRJIVSA-N 466.442 2.716 50 10 JFGE O=C(NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657923 GLGHYXNHPLJFRK-UHFFFAOYSA-N 461.280 2.603 50 10 JFGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254486527 FTJXIBZLJLLJIW-UHFFFAOYSA-N 478.538 2.996 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1OC 254743544 GSGVHJIIRKMQJK-UHFFFAOYSA-N 461.474 2.803 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)C1CCC1 703951855 SQSPAJZSAVKLFZ-MRXNPFEDSA-N 457.390 2.792 50 10 JFGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(C(=O)OC)cc2)cc1 1084531815 YUVJTOXHPFOYAE-FQEVSTJZSA-N 452.536 2.815 50 10 JFGE O=C(NCCOCCOCCOCCOCCBr)OCC(Cl)(Cl)Cl 2060014605 PKRUSNFBPHGZPE-UHFFFAOYSA-N 475.591 2.544 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2068352933 ADCSHOIAHLTNHT-OWDMVUQNSA-N 469.401 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 2164500559 GSJRQUDAJVKNKG-LQWHRVPQSA-N 495.370 2.991 50 10 JFGE Cn1ncc(C(=O)N2C[C@]3(F)CCC[C@@]3(CBr)C2)c1I 2176641563 UPSUZNQCAKTMLL-CHWSQXEVSA-N 456.097 2.754 50 10 JFGE CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179790376 CWGGSLJESVPJEA-SFHVURJKSA-N 455.422 2.953 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2268552765 XLRSLLIAGWFTEV-WZBLMQSHSA-N 487.391 2.884 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)c(B(O)O)c1 2317613831 RIDOIHBSBIVJAR-RUZDIDTESA-N 472.350 2.608 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630235 UFORXJDXLIGTEM-KRWDZBQOSA-N 472.567 2.533 50 10 JFGE CCOC(=O)[C@@](NC(=O)NNS(=O)(=O)c1ccc(C)cc1)(c1ccc(F)cc1)C(F)(F)F 20609200 YYHVHZVMVJBIRD-SFHVURJKSA-N 477.436 2.648 50 10 JFGE CCCCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 33959106 RNMUXPZJBSORKQ-QLYXXIJNSA-N 451.483 2.772 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 1296927422 GVCSMYXFYSECNO-UHFFFAOYSA-N 450.245 2.612 50 10 JFGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)s1 1627960203 GOPXSFFFHMYYNQ-UHFFFAOYSA-N 453.933 2.602 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771046 HILOEGBMAMLKDJ-NWDGAFQWSA-N 455.496 2.513 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2162592367 TUOCRTRYEOPTSK-AWEZNQCLSA-N 468.458 2.963 50 10 JFGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179834735 LZSSFRZZHVWJKB-HSALFYBXSA-N 457.434 2.857 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H](CBr)OCC12CC2 2183980073 XKLQISNEDHGUAZ-LBPRGKRZSA-N 450.114 2.989 50 10 JFGE CN(Cc1cccc(B(O)O)c1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257371221 AKPRPTATXUWDMV-UHFFFAOYSA-N 472.350 2.642 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(C)CCC[C@@H]1Br 2258814386 PKOIHPUBWSCWKT-IPELMVKDSA-N 475.380 2.884 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289351622 XIYAUAZGPFXUBL-RLFYNMQTSA-N 499.427 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 2316822005 MFHRLLGIQSEGRF-FOIQADDNSA-N 469.401 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2316825050 QGBCJRUCECQFQV-NNZMDNLPSA-N 469.401 2.746 50 10 JFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1Br 14647815 YJWQFYLSNCFMGA-UHFFFAOYSA-N 496.383 2.961 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C1CCCCC1 14662982 CKDZDISAWDNGFK-UHFFFAOYSA-N 458.378 2.690 50 10 JFGE COc1ccc(COC(=O)C2=C(CCl)CN3C(=O)[C@H](NC(=O)Cc4ccccc4)[C@@H]3S2)cc1 54967722 GXRPFTDPKLJQPX-REWPJTCUSA-N 486.977 2.874 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 746184824 HPVRYBIBAONGIO-UHFFFAOYSA-N 462.480 2.572 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C(F)F 1998353014 OSQOOXSOIHHLSJ-QGZVFWFLSA-N 467.332 2.647 50 10 JFGE O=C(NCC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)OCc1ccccc1 2044683911 KQIMIHCNDFCKQX-UHFFFAOYSA-N 474.421 2.729 50 10 JFGE CSCC[C@H](Cl)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024798 DCZZDQSSQNIQLV-FZKQIMNGSA-N 450.985 2.681 50 10 JFGE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106304468 FTBYQFPJJPLODS-UKRRQHHQSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2169006900 XXJCOFNRWPFWIP-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE CCN(CCCl)CCC[C@@H](C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2204125187 MEUJQAQMDCNXQV-QGZVFWFLSA-N 458.024 2.712 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2283916855 WRRPNGQGMCJQJP-MHZLTWQESA-N 498.388 2.814 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 2325279284 BUBRQFLPOUXLEI-UHFFFAOYSA-N 466.469 2.567 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 10455772 MEXZOBOAMPWUDB-UHFFFAOYSA-N 490.541 2.983 50 10 JFGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C1 10736608 RLCGSWYHOPKUDK-CALCHBBNSA-N 468.579 2.920 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815073 NHQLWBWWPFIDRE-XIEYBQDHSA-N 484.509 2.821 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 254615284 FDVPSCNNXGBXSN-FLNQGOITSA-N 469.457 2.863 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(I)c(Br)c2)[C@H]1Br 300916688 VHYYKDHWWRBGBP-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE C[C@H]1[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951860 SWUFZQJPNYADIW-KBPBESRZSA-N 457.390 2.744 50 10 JFGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1C 727742938 KFSWSLXFUAJLNB-PGMHBOJBSA-N 469.611 2.679 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC2CCN(CC(C)C)CC2)cc1 742393463 CECCWXQMGWGSGT-ZHZULCJRSA-N 478.597 2.578 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])Cc2ccccc2)cc1 1084424348 IFAZNVIQGBFIIM-UHFFFAOYSA-N 482.518 2.945 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](I)C1 1900970745 OZYNHZDIGSWUEW-YFKPBYRVSA-N 462.911 2.595 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CCC[C@H](Br)[C@H]1CC2 1948488881 KPMQHUSIDQJFGF-RRQGHBQHSA-N 455.374 2.783 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCBr)Cc1cccs1 1981026238 MYXVNIOVZAZNTR-UHFFFAOYSA-N 457.371 2.571 50 10 JFGE CCN1CC[C@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2007644810 ROXJQAVKHJAOLA-APPZFPTMSA-N 451.149 2.608 50 10 JFGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2052375231 QWIWNKTTZAGSKS-TYILLQQXSA-N 475.380 2.836 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122790320 NCXLXRCCMWDOEL-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE OB(O)c1cc(Nc2ccc(I)cc2Br)ncc1Cl 2277606347 WFDWXDJBMGLLBE-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 217218028 UOLWSYVWXVUCHE-SDXDJHTJSA-N 450.495 2.596 50 10 JFGE COC(=O)[C@@H](Br)CNC(=O)c1cc(I)ccc1Br 234550298 FGCDVHLYXKGSPQ-VIFPVBQESA-N 490.917 2.720 50 10 JFGE O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 254716252 YUVGKTSUMTWOEL-UHFFFAOYSA-N 451.390 2.902 50 10 JFGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c2ccccc21 726500193 SMZLFHKOQBIKTO-SSZFMOIBSA-N 466.563 2.652 50 10 JFGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCC#N)c(I)c1 1084273341 LXRXZNQFHQIANM-BJMVGYQFSA-N 460.069 2.951 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 1860769981 OKIUKKVFXDSNBH-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CCBr)CC1 1942088847 MVCKTRXVWQAKFJ-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1CCC(CBr)CC1 1942094265 BQZFECYPUHNROY-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2046458633 UPBYQIUQSUCXKK-INIZCTEOSA-N 469.401 2.888 50 10 JFGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@@H]1Br 2048897923 XTTCNJFYHLGJAI-LKTHJCGVSA-N 475.380 2.882 50 10 JFGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2107340454 FLSLCZWRZLQIHB-ZFWWWQNUSA-N 454.431 2.668 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)CN(S(=O)(=O)N1CCC(Br)CC1)C2(C)C 2163049588 APPHXGSBROTJLG-UKRRQHHQSA-N 466.442 2.668 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCCO1 2163052315 CBHRJIVGWJSTQP-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE COC(=O)[C@H](Br)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211448295 XXCXGGYNMRPWID-OAHLLOKOSA-N 494.427 2.713 50 10 JFGE Cc1ccc(I)c([C@@H](Br)CS(=O)(=O)N2CCOCC2)c1 2240992535 ZHVDNWQPDAXZCE-LBPRGKRZSA-N 474.158 2.698 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248415861 HXUYUYMAXROHQK-INIZCTEOSA-N 478.379 2.622 50 10 JFGE Cc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(B(O)O)c1 2302867997 QSDWVWCHLCOZLR-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCCBr)C1CCOCC1 2352868586 QZIPLAKVXWWLNK-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2)c(Br)c1 13979155 AZPLFZUIWOAGOV-UHFFFAOYSA-N 450.358 2.655 50 10 JFGE COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)C(Cl)Cl)CC1 95920312 GUHBBAJGZMQEKC-UHFFFAOYSA-N 498.432 2.895 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCCN(CCBr)CC1 236580952 CGTWBDBCOGRDOS-UHFFFAOYSA-N 453.118 2.540 50 10 JFGE Cn1ncc(Cl)c1C(=O)NN=Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 252642009 ZIBJRZXYKLHUNV-UHFFFAOYSA-N 497.726 2.992 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(OC)c2O)sc2c1CC[C@@H](C)C2 254716150 WQNLUIKFBJMWTA-GFCCVEGCSA-N 459.524 2.853 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1449363586 SWZIAIWVDGQUOI-ICSRJNTNSA-N 456.543 2.745 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccco2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003042 DFBJPYNWPGLSOW-UHFFFAOYSA-N 459.436 2.638 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2042541503 AXTZGCCECCAIEI-OSRSDYAFSA-N 469.401 2.790 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2042546075 UKDVUMNEMPLHED-IDCJVQTKSA-N 469.401 2.934 50 10 JFGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305008 KYHDGZGENXSZSS-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE C[C@@]1(C2CC2)CN(S(=O)(=O)c2n[nH]cc2CBr)CCN1Cc1ccccc1 2179866216 DNSNXPGAYJNBLF-IBGZPJMESA-N 453.406 2.980 50 10 JFGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257380499 JVNKFHJWAZOWQW-QGZVFWFLSA-N 472.350 2.861 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268628108 CKWHVGRCKKGDEB-SANMLTNESA-N 486.377 2.888 50 10 JFGE O=S(=O)(C[C@H](Br)c1c(F)cccc1I)N1CCOCC1 2282887507 FHYHEEVILQQAKO-VIFPVBQESA-N 478.121 2.528 50 10 JFGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(Cl)ccc2B(O)O)CCN(Cc2ccccc2)CC1 2284055448 TYNOLDFDSALYCV-UHFFFAOYSA-N 487.793 2.518 50 10 JFGE COc1cc2c(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C(=O)O)n(C)c2cc1OC 2328799870 HRWLDEYAOZHBHL-SFHVURJKSA-N 476.530 2.893 50 10 JFGE CC(=CC(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2332114901 CPTZCHXDGPKPCZ-UHFFFAOYSA-N 458.565 2.668 50 10 JFGE CO[C@@H]1C[C@@H](Br)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338684292 MFCDCYKOZYNYGT-RNFRBKRXSA-N 459.964 2.570 50 10 JFGE C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1 61887354 RGZZPCCSBPLEID-UCQKPKSFSA-N 472.548 2.567 50 10 JFGE O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 103795881 BINSKPUELGOPMN-GGPGUOJZSA-N 485.319 2.975 50 10 JFGE C=CCn1ncc2ccc(NC(=O)NN(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc21 1220204464 NWDDFVKBEOZASJ-UHFFFAOYSA-N 457.535 2.863 50 10 JFGE C#CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@H]1CCOc2ccc(Br)cc21 1559543882 HYIYHDCBHODOOW-IBGZPJMESA-N 456.340 2.978 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 1627721198 OALBIYWJUBMSEP-UHFFFAOYSA-N 457.284 2.677 50 10 JFGE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(/C(C)=C/C#N)c1C 1873427789 AVERWYCPLRBMQM-UXBLZVDNSA-N 468.447 2.913 50 10 JFGE CCC[C@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545590 SWOOFPAVWVJPOU-FZKQIMNGSA-N 463.369 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)Cc1cccs1 2004262869 KRQBKLGOVADULD-UHFFFAOYSA-N 471.398 2.961 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)c2cnn(CCCBr)c2)CCN1Cc1ccccc1 2179787625 RKASIRLHFBZVKW-GOSISDBHSA-N 455.422 2.953 50 10 JFGE CCN(CCCl)CCC[C@H](C)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2204125186 MEUJQAQMDCNXQV-KRWDZBQOSA-N 458.024 2.712 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239886576 RMTOMICEXRPYFL-WFASDCNBSA-N 450.114 2.846 50 10 JFGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc(Cl)c1OC(C)C 2323157712 HIKVERNJYGZRLC-JTQLQIEISA-N 455.924 2.753 50 10 JFGE CSCC[C@H](NC(=O)C(C#N)=CNc1ccc(I)cc1C)C(=O)O 2325027587 BZIDAKPAOOMFSF-AWEZNQCLSA-N 459.309 2.742 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(B(O)O)c(C(F)(F)F)n1)COCc1ccccc1 2369423277 SUOFPBJLUSFYIR-INIZCTEOSA-N 484.280 2.659 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c(C)c1 13999193 VBTUCXAQFDHDIX-UHFFFAOYSA-N 471.579 2.660 50 10 JFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1 14660427 JXQOVTYOHWQBLF-UHFFFAOYSA-N 496.383 2.959 50 10 JFGE O=C(NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1ccncc1 17903533 WGHGLYHQRGZXPF-UHFFFAOYSA-N 465.263 2.720 50 10 JFGE Nc1c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc2ccc(Cl)cc12 32605607 RTIXQISAKHUFKO-UHFFFAOYSA-N 487.969 2.720 50 10 JFGE CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NNC(=O)CCOc2ccccc2)CC1 726278989 MVIWZLPQVZFHLD-GOSISDBHSA-N 457.550 2.828 50 10 JFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770331 DHHAWJRKPMXSEM-UHFFFAOYSA-N 498.586 2.922 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CS(C)(=O)=O)cc3)c(C)n2)cc1 1865757123 NUPCHMYGOXWFKD-UHFFFAOYSA-N 453.520 2.685 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C2(CCCCC2)C1 2006027738 MRNZLTFGAMUOFO-INIZCTEOSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106779794 RLHUEQZGEXCNKS-CYBMUJFWSA-N 454.431 2.573 50 10 JFGE Cn1ncc(C(=O)N2C[C@]3(F)CCC[C@]3(CBr)C2)c1I 2176641565 UPSUZNQCAKTMLL-QWHCGFSZSA-N 456.097 2.754 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2266910633 JEUOXEJYWZIHMF-MRXNPFEDSA-N 497.333 2.741 50 10 JFGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630230 HXAUQPOWSGEGHT-GOSISDBHSA-N 486.594 2.923 50 10 JFGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOC)cc1 14657102 SWQPASOAZNALPL-INIZCTEOSA-N 459.568 2.940 50 10 JFGE COc1ccccc1/C=C/C(=O)NCC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254625315 PLZAEHHFPXRNDA-FIPZCCBRSA-N 468.513 2.892 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 254700895 GLNKRTLJIQIKSA-UHFFFAOYSA-N 473.507 2.651 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 703993982 NJMTXBJHWYVUOM-XJKSGUPXSA-N 457.390 2.744 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772150 SNXBOTGNNBUORR-CQSZACIVSA-N 454.552 2.687 50 10 JFGE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960584 FHKXQKJMUUKPHO-SJORKVTESA-N 455.946 2.778 50 10 JFGE CC(C)(C)OC(=O)N1CC(c2ccc(CNS(=O)(=O)CI)cc2)C1 2025313044 XVPAMCBRABQNGY-UHFFFAOYSA-N 466.341 2.833 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032225518 RHRMZQRJFDUIOQ-COXVUDFISA-N 469.401 2.601 50 10 JFGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046033770 MNBANKGTAFAOFK-VVFCZOMOSA-N 475.380 2.836 50 10 JFGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2ccncc2)cc1 2313683086 RJUAETMOOWFRGR-UHFFFAOYSA-N 472.461 2.958 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc([N+](=O)[O-])c1O 2323647643 DMHDBYLTCQSZGO-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(Cn2cnc([N+](=O)[O-])n2)c1 3670717 OLHNFCNSYCTSTJ-SFHVURJKSA-N 450.455 2.694 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12571602 BNFQEPHHBDSUML-NSHDSACASA-N 472.350 2.870 50 10 JFGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCC 256028494 PRYZCIHNFRBSSB-UHFFFAOYSA-N 460.379 2.923 50 10 JFGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(OC)c(OC)c3)CC2)c1 1083973191 VSDALTVXZSHXDJ-UHFFFAOYSA-N 455.511 2.724 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)C1 1872963045 YQXHCCXRWNATGI-HZPDHXFCSA-N 475.471 2.835 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2256597256 FJQQMQFFMLOGQY-OYHNWAKOSA-N 493.394 2.563 50 10 JFGE CO[C@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827977 WXZULBKAONSWJH-LJQANCHMSA-N 475.405 2.562 50 10 JFGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 14641584 RNNKRDUPVFCOJV-UHFFFAOYSA-N 466.357 2.952 50 10 JFGE COc1ccc(CNC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 216983793 WSBJADGIUYSAAX-ICFOKQHNSA-N 490.969 2.505 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 725404356 HZSZQRGYVLRGIO-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 1860770827 YPVGCYOWOCQRLF-UHFFFAOYSA-N 492.557 2.841 50 10 JFGE CCN(CC)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872962256 RSKSTIXIRZKUPZ-NHCUHLMSSA-N 492.624 2.971 50 10 JFGE O=C1CN(c2cc(Br)c(I)c(Br)c2)CC(=O)O1 1946445651 PPLGPUBADYFEHK-UHFFFAOYSA-N 474.874 2.706 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 1998475152 FEAWHYOQRKCNMT-LLVKDONJSA-N 471.295 2.556 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046029235 OZZWAXQOVBVOKT-YJYMSZOUSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162602821 RAHLQBLEJLJPBI-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC(Br)CC1)c1ccccc1 2179674625 PAABLEPVLOWHQH-INIZCTEOSA-N 462.410 2.946 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCC(CBr)CC1)C2 2179824975 BFHOGTMXEXSKPY-PMACEKPBSA-N 456.450 2.792 50 10 JFGE O=C(N[C@@]12CC[C@@](CBr)(C1)OC2)c1ccc(I)c(O)c1 2190183224 JTRSBLKSGKIANB-KBPBESRZSA-N 452.086 2.813 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296727493 HYULWJGXYUFJMN-HXUWFJFHSA-N 462.531 2.758 50 10 JFGE COC[C@@](C)(CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835718 HNJMCJAIUZUWKD-HXUWFJFHSA-N 489.432 2.953 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC12CC(CBr)(CO1)C2 2364213899 JZMZORNDVCEFOY-UHFFFAOYSA-N 499.427 2.707 50 10 JFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14039071 KGSNZFQCBDFRIJ-UHFFFAOYSA-N 466.357 2.951 50 10 JFGE C[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 96653053 HRNNLTHQXVLSPB-NYHXXUGCSA-N 453.973 2.558 50 10 JFGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 254703294 SJIHKFGIJZYRKH-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 725446664 DHVPEVDLPBCCBJ-UHFFFAOYSA-N 499.520 2.943 50 10 JFGE C=CCNC(=S)NNC(=O)c1ccccc1SCC(=O)Nc1ccc(OC)c(OC)c1 913438063 JHZWFDMNIGYQOZ-UHFFFAOYSA-N 460.581 2.730 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1C 1860770456 IUPZIZAGAFQUNF-CQSZACIVSA-N 460.581 2.524 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)c1cscn1 2055485251 AZHOFDZWXJMPFN-HNNXBMFYSA-N 486.413 2.965 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058369300 YNIGWTMGBGVHBN-CFNLKKDLSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2106784648 KAZVSERATZNMDN-RRFJBIMHSA-N 453.443 2.762 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179827484 FXOCRGQQZGQXMN-YRPNKDGESA-N 457.434 2.855 50 10 JFGE C[C@]1(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2327694250 HXJIENSVXKGKPT-QRKDATQKSA-N 469.401 2.934 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14021562 XRCPPTIVVCBDAE-UHFFFAOYSA-N 479.327 2.930 50 10 JFGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)c1ccccc1O 33780841 IDLNFAYXZLOMOC-ZSJNXGHDSA-N 496.545 2.729 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc1 40628015 BYCZNQKGAAPPGW-UHFFFAOYSA-N 485.526 2.916 50 10 JFGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 58987853 ZDJGBJSMKZNOSP-LPYMAVHISA-N 455.500 2.598 50 10 JFGE C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103912799 QKVAZBXLJFAAGU-MTJSOVHGSA-N 458.387 2.783 50 10 JFGE COc1cc([N+](=O)[O-])c(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1O 169920328 QZBNZDBVHBWYHY-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 245380652 FTAZTIAFNYPPAC-AWMDUDEPSA-N 468.469 2.683 50 10 JFGE COc1cccc(-c2c(C(=O)NN=C(C)/C=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 254767246 ZKWBGNKTWVVIHA-CABPEPDTSA-N 487.524 2.793 50 10 JFGE CC(C)(C)[Si](C)(C)ON1C(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=N[C@@]1(N)O[Si](C)(C)C(C)(C)C 888085406 XVCBYWIFUHYKHS-QCBUCWTNSA-N 490.750 2.749 50 10 JFGE O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 1084298272 XJGOJMQGYUCEPG-UHFFFAOYSA-N 493.461 2.802 50 10 JFGE CCCCN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544808 PVKHBCWNKDUXPO-SFHVURJKSA-N 463.369 2.838 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2243684783 GYXVXFMWXIWBKS-CQSZACIVSA-N 464.714 2.886 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248414300 HXUYUYMAXROHQK-INIZCTEOSA-N 478.379 2.622 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2268667206 VSVMQTLFYZSKTK-SANMLTNESA-N 486.377 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(F)(CBr)C1 2301117806 UFWPJONTFZOJDU-UHFFFAOYSA-N 461.353 2.592 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2314755796 HTVOCIXJRDIHEM-SMDDNHRTSA-N 483.306 2.793 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623065 VBNVIJKESALXHA-CQSZACIVSA-N 480.746 2.677 50 10 JFGE COc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(=O)N2CC(C)C 38180393 MSTUYZVJILTKFA-QOMWVZHYSA-N 487.354 2.711 50 10 JFGE CCOC(=O)COc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 58894037 USRAUTFHAHEQQR-RASHHNMQSA-N 458.511 3.000 50 10 JFGE O=C(N[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1I 323064314 MVOIXCUSKNZSHR-PSASIEDQSA-N 474.918 2.946 50 10 JFGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 1084536879 NPJVHNZRXUKZOR-UHFFFAOYSA-N 477.477 2.662 50 10 JFGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)c1ccccc1O 1772718849 RKBTYJIELBTCRY-RFWMEDTCSA-N 453.476 2.659 50 10 JFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc(I)cc1 1865757488 FRMVSCSURKZTIN-UHFFFAOYSA-N 465.276 2.588 50 10 JFGE CC(C)[S@](=O)(=NS(=O)(=O)CI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1986106740 MSKCUUNOHGZEIC-QVQLBTGDSA-N 480.390 2.595 50 10 JFGE CC(C)(C)OC(=O)Nc1c[nH]nc1C1CCN(S(=O)(=O)CI)CC1 2013088187 HWVAMRPEIMZIDS-UHFFFAOYSA-N 470.333 2.658 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2108234104 MCWJGQFUVFFPTF-LIRRHRJNSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)CC1 2163049885 DVPLMUAXOQEZNN-UHFFFAOYSA-N 466.442 2.956 50 10 JFGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179946751 JSORVYBJPMWIGV-SLFFLAALSA-N 456.450 2.792 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234714011 ARCDPQFEHHGLMR-HDICACEKSA-N 453.406 2.706 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2301662339 NWZKPZNVSJPIST-JOCHJYFZSA-N 478.379 2.704 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CCC[C@@H]2N1S(=O)(=O)N1CCC(Br)CC1 2354701684 XVRJTODQVKEDTO-IMJJTQAJSA-N 466.442 2.858 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15092728 GBQGGWUINNJUFV-UHFFFAOYSA-N 462.959 2.937 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(C(C)C)c1C 20805167 ZSYHBFGZZVUOSS-WYMPLXKRSA-N 492.613 2.894 50 10 JFGE CCOC(=O)/C(C#N)=C\c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 33925066 XCOSVABQYGBEQG-MNDPQUGUSA-N 473.533 2.808 50 10 JFGE COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O 252632015 VOEWPZDGLNIHGI-UHFFFAOYSA-N 479.493 2.588 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2ccccc21 254875102 XJNLMLDJWXGASH-UOGVUJJQSA-N 469.457 2.863 50 10 JFGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2Cl)c(C)c1 728853626 WRMUEKDUAUKGON-UHFFFAOYSA-N 461.721 2.821 50 10 JFGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccncc1 1084089884 ITXFUSZFOGVGMS-UHFFFAOYSA-N 459.535 2.875 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)NNC(=O)C(F)(F)F 1084146495 PAOBTIFPQQXVQZ-UHFFFAOYSA-N 493.471 2.632 50 10 JFGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)ccc1O 1084399176 HGNXMOJNKWPVAT-UHFFFAOYSA-N 491.371 2.768 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)cc1 1860770745 VPTUPFYYRBLTEM-UHFFFAOYSA-N 477.502 2.732 50 10 JFGE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNS(=O)(=O)CI 1990189177 QKWAHUAJNLSJGQ-LLVKDONJSA-N 472.370 2.894 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CCC1(C)C 2131939713 IESFXGQKXAIDOJ-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE O=C(NCCC(=O)N1CCCc2c(B(O)O)cccc21)OCC1c2ccccc2-c2ccccc21 2257368502 HUIJIUIUNDUAJN-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE O=C(C=Cc1ccco1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 2313619252 XPVLAETXIMPIPB-UHFFFAOYSA-N 458.721 2.810 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2314913113 VAVNAPYDDQGSMF-UHFFFAOYSA-N 490.390 2.630 50 10 JFGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccccc2I)c1 10216180 PFJQTPXQBNEKDU-UHFFFAOYSA-N 454.264 2.781 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc(OC)c1OC 10460306 GLLUNRKUPIJFIC-UHFFFAOYSA-N 451.932 2.634 50 10 JFGE CN(c1ccc(OCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1)S(=O)(=O)c1cccs1 10736672 AVGXHVQEUBEQBK-UHFFFAOYSA-N 498.586 2.905 50 10 JFGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(C)c1C 59260939 UUMQFSJHGLICSC-WYMPLXKRSA-N 452.588 2.977 50 10 JFGE CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 96915675 UDWSAHJOJIXROL-GUJZACONSA-N 463.600 2.635 50 10 JFGE Cc1cccc(C)c1NC(=O)CCCC(=O)[C@H]1C/C(=N/NC(=O)CC#N)CC/C1=N\NC(=O)CC#N 198723834 KBHLMFJUCPEANI-HWKRQWHQSA-N 491.552 2.553 50 10 JFGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 254480130 SKOOBZJUDQXNQL-UHFFFAOYSA-N 451.504 2.726 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744494 DWLLFCRAWDTSNR-UHFFFAOYSA-N 464.453 2.978 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@H](CBr)C1 1942369261 JJPMIQCCTIHKNA-LSDHHAIUSA-N 457.390 2.936 50 10 JFGE CN1C[C@H](NC(=O)c2cc(I)ccc2Br)[C@H](Br)C1 2029861831 DIMQYBPMIDYCMU-MNOVXSKESA-N 487.961 2.861 50 10 JFGE O=C(O)C=Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)cc1 2079429961 LFYLITBTUWURAC-UHFFFAOYSA-N 452.488 2.987 50 10 JFGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230718 KJHYTUFRZUPWLE-SJORKVTESA-N 497.333 2.835 50 10 JFGE C[C@@H](CCCCCI)NS(=O)(=O)c1c(Br)cnn1C 2117882918 ROFZSEKVXMFYSC-VIFPVBQESA-N 464.167 2.845 50 10 JFGE C[C@H](CBr)CC1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2216704107 SGWPWJDNPHZIMS-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H]2OCCC[C@]2(CBr)C1 2230591286 DKDYNFSZWMGQLC-SKDRFNHKSA-N 457.131 2.764 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1ccc(Br)cc1I 2303602925 YPIYCMQTIFPCNA-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)c2sc(-c3cnccn3)nc2C)cc1 2321238852 DDFSDPXTBOFWJP-UHFFFAOYSA-N 452.540 2.920 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccccc1 12502173 YUMSDHJUYWWJAD-UHFFFAOYSA-N 469.350 2.813 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 14042212 XNRSWSXSAJEPAO-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)ccc1C 59372546 PYRXZZKIELZIJI-HGQHNSGJSA-N 469.501 2.862 50 10 JFGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1cccc2ccccc12 206609104 CTFQSPHRTZOGLH-QXMHVHEDSA-N 450.476 2.862 50 10 JFGE Cn1cccc1/C=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 229447072 HVVKACFXIYXKCX-ZIIVNYPBSA-N 459.543 2.720 50 10 JFGE O=S(=O)(C[C@H](Br)CBr)C[C@H](Br)CBr 237984960 AJVRMHVZGCHBPN-PHDIDXHHSA-N 465.827 2.718 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1cccc2c1OCCO2 1084543556 ZODMZZOCFXQTBL-UHFFFAOYSA-N 496.501 2.712 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccnc(Cl)c2I)c1 1154050884 ZLWCMGYUGDZYNS-UHFFFAOYSA-N 456.696 2.952 50 10 JFGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(Br)cn2ccnc12 1472522994 ACXCJWJBGRAZEC-SNVBAGLBSA-N 459.732 2.971 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743772 KQNJMROCVWTHML-UHFFFAOYSA-N 458.946 2.774 50 10 JFGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)CI 1879950163 VIOYBVUVVXHASI-UHFFFAOYSA-N 454.330 2.736 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCCBr 2000545801 VJMPHAXHFPKEQI-SFHVURJKSA-N 463.369 2.886 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2004850556 SAOSAVGRPPERTM-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)c(Cl)s1 2004902618 NVLLWAFOUNICBG-YFKPBYRVSA-N 452.495 2.870 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccc(CBr)cc2C1 2048598258 OZTOVIXPEWWHPT-UHFFFAOYSA-N 463.353 2.913 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@@H]2COC[C@H]21 2102180222 HQXUUIBGQBRQJU-VMHSAVOQSA-N 451.589 2.947 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)NCCOCCCI 2235939665 VHIPZFCYPZOLPH-UHFFFAOYSA-N 478.146 2.578 50 10 JFGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296507051 QTGLIOANOQZSKG-IRXDYDNUSA-N 464.528 2.538 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 2310455737 KQENXEQVNRJHSZ-IQUTYRLHSA-N 475.380 2.884 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2315144862 UUVHMRYLCKNGMP-ZNOIYHFQSA-N 473.364 2.590 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325893258 YCTZAXBNKBYTSY-OAHLLOKOSA-N 496.589 2.851 50 10 JFGE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c1 2329665504 PBFPALYYIGCEGM-GFCCVEGCSA-N 457.284 2.681 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14654962 XAUJXMNOANDDRK-UHFFFAOYSA-N 453.289 2.948 50 10 JFGE CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl 14847437 NRAOTJLLJWIJJW-UHFFFAOYSA-N 453.948 2.894 50 10 JFGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(N(CC)CC)cc3)nnn2-c2nonc2N)c1 254382004 YOMDKVHSNQCNSJ-UHFFFAOYSA-N 489.540 2.908 50 10 JFGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084415980 MIIVYSBUPJIPPF-UHFFFAOYSA-N 482.474 2.639 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1151653187 YFQRKNZBVAPQLY-MRXNPFEDSA-N 452.577 2.513 50 10 JFGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942097463 IIKDYVGDIKHFMH-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE C[C@H]1C[C@@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 2008780663 QZKILPMGDQGLCP-UWVGGRQHSA-N 486.294 2.971 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106306095 VRMNPJQEPIQHGA-UONOGXRCSA-N 454.431 2.573 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1F 2178912114 UBBCJYWBKJKDEY-MWLCHTKSSA-N 455.109 2.970 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310038581 AXTZGCCECCAIEI-WRFANHODSA-N 469.401 2.790 50 10 JFGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501213 ILDHDXWEWHXWTA-UHFFFAOYSA-N 463.903 2.611 50 10 JFGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999369 VDBUEDVSIQTFSY-UHFFFAOYSA-N 477.970 2.697 50 10 JFGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccccc21 15093093 SMZLFHKOQBIKTO-DTQAZKPQSA-N 466.563 2.652 50 10 JFGE N#CCOc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254705581 CIUDXKKFFUQTGQ-UHFFFAOYSA-N 493.501 2.843 50 10 JFGE O=C1NC(=O)[C@H](c2cc(Br)ccc2I)[C@@H]1Br 300918897 WUDFQDMNRPOKPW-SFYZADRCSA-N 458.875 2.557 50 10 JFGE Oc1ncnc(N2C[C@@H](CBr)[C@H](C(F)(F)F)C2)c1I 709874602 GFTFZKZPUOKDKJ-PHDIDXHHSA-N 452.012 2.796 50 10 JFGE Cc1csc(CC(=O)NNC(=O)COC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)n1 728726374 YHNCGFVRTQCILL-UHFFFAOYSA-N 489.985 2.692 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1087668927 CAOIVXWEBUENPE-LSDHHAIUSA-N 454.474 2.872 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748573 LSSFJUHADFCJPU-UHFFFAOYSA-N 489.488 2.970 50 10 JFGE CC(=O)NNC(=O)CSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019089442 BWTQJBIQQVTQIF-OAQYLSRUSA-N 485.562 2.657 50 10 JFGE O=S(=O)(Nc1ccc(I)nn1)c1ccc(CBr)cc1 2116406670 YWWYDSINPISIOO-UHFFFAOYSA-N 454.087 2.777 50 10 JFGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CC1 2163057112 YIEYVMFRQCGDBG-SANMLTNESA-N 488.470 2.588 50 10 JFGE COCCOCCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CCBr)C1 2179952645 PBPCZPBTAHIXIE-IBGZPJMESA-N 463.438 2.893 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2257374829 VFRHJLJINKECDZ-UHFFFAOYSA-N 470.334 2.573 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573658 OEYJDLGKWZKFHZ-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 207178218 UMYSLEPUOTVMEB-PDGQHHTCSA-N 451.435 2.897 50 10 JFGE COc1cc(OC)c(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)c(OC)c1 254484143 ZUBRNYPNVDXBBE-UHFFFAOYSA-N 453.455 2.938 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 1558199513 HTNQQCJLTXFSPP-PMACEKPBSA-N 459.531 2.577 50 10 JFGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1623586135 JCIXNQHTDKENQC-SFTDATJTSA-N 473.551 2.628 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 1641019020 HUIFZAJEMNAENM-UHFFFAOYSA-N 452.496 2.901 50 10 JFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745022 OPPFQRNCQHPKGF-UHFFFAOYSA-N 456.518 2.650 50 10 JFGE O=C1c2cc(I)ccc2S(=O)(=O)N1C[C@H]1C[C@@H](Br)C1 1887837788 YWEXJAOFVZEONU-OCAPTIKFSA-N 456.099 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@@H](CBr)C1 1942369260 JJPMIQCCTIHKNA-HUUCEWRRSA-N 457.390 2.936 50 10 JFGE CC(C)[C@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543080 LWAHOSAEUOZYGJ-CRAIPNDOSA-N 463.369 2.740 50 10 JFGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2106783686 BYOOGDKGTAHWBG-CABCVRRESA-N 453.443 2.906 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134131100 PRDZPECDXSNXCS-IEAZIUSSSA-N 487.391 2.977 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179866256 FCFUCBUYJXNIHP-MOPGFXCFSA-N 454.390 2.574 50 10 JFGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1ccc(I)c(O)c1 2279403448 AKDIETYLQNLFKX-MWLCHTKSSA-N 454.102 2.917 50 10 JFGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2329697746 KQFHGJQIWIOADR-LJQANCHMSA-N 493.317 2.756 50 10 JFGE N[C@@H](C[C@H](SSCC[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2333220586 WYSMLTOHPQSVDI-AABGKKOBSA-N 490.603 2.696 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 9229862 OKIIJVWHNKPDOS-RUDMXATFSA-N 493.339 2.780 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502748 ITUPKKLURUWXCP-UHFFFAOYSA-N 464.503 2.828 50 10 JFGE Cn1c(-c2ccccc2)cc(=NNS(=O)(=O)c2cccc(N)c2)c2cc(S(=O)(=O)F)ccc21 254703766 OIWKMOVBRBYADH-UHFFFAOYSA-N 486.550 2.880 50 10 JFGE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)c1cccc2cccnc12 730773513 DOEGDXFSIACAQZ-QGZVFWFLSA-N 451.870 2.554 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771213 NBWWTCJGGPGLEN-VXGBXAGGSA-N 485.522 2.522 50 10 JFGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)c2sc(-c3cnccn3)nc2C)cc1 1865761139 DDFSDPXTBOFWJP-ROTLSHHCSA-N 452.540 2.920 50 10 JFGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1865851695 GNNKNNASDYSTTE-UHFFFAOYSA-N 454.552 2.652 50 10 JFGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1993397685 RBFITSOIAVRZAB-CJNGLKHVSA-N 492.379 2.832 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032225521 RHRMZQRJFDUIOQ-XYPHTWIQSA-N 469.401 2.601 50 10 JFGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2106783688 BYOOGDKGTAHWBG-HUUCEWRRSA-N 453.443 2.906 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCCI)C2(CCOCC2)C1 2326641349 KVEJHXKCBMEZNU-OAHLLOKOSA-N 468.376 2.834 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2[N+](=O)[O-])cc1 40658886 DBBKWUOAFHMEFE-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE COc1cccc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1OC 252608159 HHKMMBUUVKKSQT-KRWDZBQOSA-N 451.932 2.661 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 703993977 NJMTXBJHWYVUOM-BBRMVZONSA-N 457.390 2.744 50 10 JFGE Cn1c(N)c(C(=O)/C(C#N)=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C)c1=O 918734859 AQQAWPPAVZEJNE-YRNVUSSQSA-N 461.425 2.598 50 10 JFGE CCN(C(=O)[C@@H](Br)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1858181166 FVHBKMJCPNFWQD-OCCSQVGLSA-N 453.196 2.791 50 10 JFGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c(C)c1N 1887521057 NXQUSJHUPXXHDZ-UHFFFAOYSA-N 485.393 2.632 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CC1 2000540559 FWZHYXCWTPBMLZ-QGZVFWFLSA-N 461.353 2.638 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 2029231947 BFFWWMMCUWBWOZ-CYBMUJFWSA-N 479.343 2.745 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185501822 ALNZDFOMNZKFNM-YRPNKDGESA-N 457.434 2.855 50 10 JFGE COC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 2296854988 LJQQGZYFCPKKAW-KRWDZBQOSA-N 480.498 2.513 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109210 NIXVVWZKRCSRTL-NRFANRHFSA-N 472.570 2.924 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)C(F)(F)C1 2316689596 BBAUWTMFLGSRHA-SCSAIBSYSA-N 451.891 2.800 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](CSc2cc(I)ccc2Br)O1 2338335768 ZRJDBCHCXSTKPP-SCZZXKLOSA-N 457.131 2.683 50 10 JFGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H](CBr)O1 2338860226 JXLHFHFPVKMDSF-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2364214635 OLDUPMPPSAPHJL-KFKAGJAMSA-N 499.427 2.800 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C1 15093017 KTRUCKKLMWSGBA-INIZCTEOSA-N 454.552 2.674 50 10 JFGE COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)COc3ccc(O)cc3)sc2=O)c1 33959595 WKDWRCRKXNYJML-AUEPDCJTSA-N 475.910 2.633 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658155 BBOJBLAAPAZYIG-UHFFFAOYSA-N 467.398 2.604 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccccc3C#N)c3ccccc32)cc1 59151872 RTAWTZXEULQQSL-QCWLDUFUSA-N 467.485 2.751 50 10 JFGE Cc1ccccc1OCC(=O)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254600859 LSHAWEPJSZOEHD-UHFFFAOYSA-N 470.529 2.600 50 10 JFGE CN(C)C[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 717354705 FPHWWYKXPMGHRB-VIFPVBQESA-N 479.032 2.815 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1ccncc1 1084400650 JENQBJKLAKHAOF-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE NCCSSCCNS(=O)(=O)c1ccc(Br)cc1Br 1238659322 UFRIECFMIHEQFS-UHFFFAOYSA-N 450.243 2.830 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(F)c(F)c(F)c2)cc1 1566561110 QVLVOAZBVDHSGF-SFHVURJKSA-N 455.458 2.993 50 10 JFGE C=C(C)COc1cccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1668760944 PTINBAHUFDIMMI-UHFFFAOYSA-N 458.540 2.893 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)cc4)c(=O)c23)C1 1860769636 BLHZOOXMAXYAFO-GFCCVEGCSA-N 489.395 2.735 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771048 HILOEGBMAMLKDJ-VXGBXAGGSA-N 455.496 2.513 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924280411 MNUDYMPXSIZWKY-YCRPNKLZSA-N 499.427 2.657 50 10 JFGE C[C@@]1(CCBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2025227841 JQLHWBNUQDZCRS-QZTJIDSGSA-N 461.353 2.590 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@@H]1CBr 2046028978 MMDMLGUEHMOWEX-AUUYWEPGSA-N 475.380 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2070539118 PSUSQWVTKNPESH-NKKGCODLSA-N 473.364 2.731 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 2077098012 FWFAKBRKEFGXJL-CYBMUJFWSA-N 479.343 2.745 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H](CBr)OC2(CCC2)C1 2120028092 YMOPIIJOVAYWDI-MRVPVSSYSA-N 457.131 2.906 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCOCC1 2195499562 UQMPOMOTBMVHBH-INIZCTEOSA-N 456.992 2.652 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CCN2S(=O)(=O)N1CCC(Br)CC1 2197321224 GGJLCQWDMBJSQE-KSSFIOAISA-N 466.442 2.860 50 10 JFGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257381587 MKCCVUYSQMZLDD-OAHLLOKOSA-N 493.394 2.660 50 10 JFGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2297398654 HXQOGXHCQJFYEL-UHFFFAOYSA-N 463.462 2.855 50 10 JFGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301133617 NVVNPDKNATYYFY-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2315138966 MKCIREVDJRJPSQ-ATZDWAIDSA-N 475.380 2.979 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 13979202 JOBOPMFWBZMKTI-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 13980041 MXPPXMBAMDKAGT-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1Br 14662094 KUJJREVSLGTLSK-UHFFFAOYSA-N 480.384 2.743 50 10 JFGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 728716783 DZMGOAPQUSCWPF-UHFFFAOYSA-N 485.484 2.809 50 10 JFGE C#C[C@@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1156824671 LNZGLGRBOSXOML-KAPURRDVSA-N 454.328 2.623 50 10 JFGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)cc1 1625007767 ATYLSTNDAPBVQZ-NRFANRHFSA-N 456.458 2.845 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771399 VFOZRZCWSLCPBD-CABCVRRESA-N 466.563 2.954 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C(C)(C)C1 1914046083 RJDRULCOAVKZTE-CQSZACIVSA-N 471.417 2.992 50 10 JFGE CC(C)[S@@](=O)(=NS(=O)(=O)CI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1986106741 MSKCUUNOHGZEIC-RULNZOCKSA-N 480.390 2.595 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cscn1 2055483330 ILWAMOMZSPGFGW-CQSZACIVSA-N 486.413 2.821 50 10 JFGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2086023447 FWNMWQNQHCWRDS-KHYOSLBOSA-N 475.380 2.882 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@]1(C)CBr 2108230715 KJHYTUFRZUPWLE-DLBZAZTESA-N 497.333 2.835 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Cl 2164501976 NOFXVMOXSRFCFP-LQWHRVPQSA-N 450.919 2.835 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)c2)C1 2284014821 FNSCAQKZUBPPKI-XMMPIXPASA-N 488.777 2.802 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 2296722580 WFBXGGPEDWQZBF-KRWDZBQOSA-N 498.948 2.659 50 10 JFGE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 33373170 NPWDYMIFMREHLR-QGOAFFKASA-N 471.560 2.843 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)CC1 40812963 JQPBVQWFHKBZFZ-XIEYBQDHSA-N 482.493 2.992 50 10 JFGE C#C[C@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467769936 HFZBDFXEQVXSQK-VHUCWBOISA-N 454.328 2.623 50 10 JFGE COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@@H](O4)C(=NNC(=O)c4cc5cc(F)ccc5[nH]4)[C@H]23)cc1 1565517360 NFOVOJOJPSUICL-JHBZICRXSA-N 450.426 2.576 50 10 JFGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)CC1=O 1865757587 KRDLFNGGZXGGPA-QGZVFWFLSA-N 478.578 2.847 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H]1Br 1877411501 LFIDIUAHRIGSJN-OLZOCXBDSA-N 450.374 2.648 50 10 JFGE CN1C[C@H](NC(=O)c2ccc(Br)cc2I)[C@H](Br)C1 2086145185 JUHSROYHDSZILW-KOLCDFICSA-N 487.961 2.861 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](OCCBr)C1 2113853376 DWVSGLNNOYMXHU-HNNXBMFYSA-N 487.416 2.515 50 10 JFGE Cn1ncc(C(=O)N2C[C@@]3(CBr)CCC[C@]3(F)C2)c1I 2176641566 UPSUZNQCAKTMLL-STQMWFEESA-N 456.097 2.754 50 10 JFGE C[C@@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cnn(CCCBr)c1 2179787006 IMIJNJITXSSJHD-QGZVFWFLSA-N 455.422 2.953 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2269569099 XSRXCYAGSSEBDS-AREMUKBSSA-N 486.377 2.936 50 10 JFGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)cc2B(O)O)CCN(Cc2ccccc2)CC1 2283955822 GYPALXNAIIPLRW-UHFFFAOYSA-N 487.793 2.518 50 10 JFGE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1 2296881748 YTBWCFUTANFPRB-UHFFFAOYSA-N 491.392 2.897 50 10 JFGE COc1ccc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)cc1CN1CCOCC1 2297730906 NRTXNANUQOVCNU-UHFFFAOYSA-N 466.582 2.968 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999204 DWBUMJQFTUNQEO-UHFFFAOYSA-N 471.579 2.660 50 10 JFGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)cc1 97464817 RDMWLIWUWJOZFO-SDXDJHTJSA-N 459.506 2.784 50 10 JFGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 254301391 JHQXYGIATOPEIN-KINDQGFPSA-N 456.524 2.947 50 10 JFGE Cn1cc(C(=O)NNC(=O)NCCCNC(=O)c2ccc(Br)cc2)c2ccccc21 726610921 NGOFLXPAASJSIX-UHFFFAOYSA-N 472.343 2.705 50 10 JFGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023043462 IMVAMICPLUCKPI-CDHAZOANSA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(=N)[nH]cc1Br 2061262944 WWLNOSQUYSLAMB-UHFFFAOYSA-N 451.412 2.893 50 10 JFGE O=C(Cc1ccccc1I)N[C@H]1CCCN(CCBr)C1 2143871990 ASZBLQBGQLTTLW-ZDUSSCGKSA-N 451.146 2.809 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2169635798 VGJXAPQMDRPKBO-KSSFIOAISA-N 466.442 2.860 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCC[C@@H](CBr)C1)C2 2179811697 JOSRMKGDPATYBY-XUVXKRRUSA-N 456.450 2.792 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2193294724 GDXJVKBZFYTQNW-XGUBFFRZSA-N 470.405 2.559 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2243665558 TXYDZKFFHFZYFU-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250978374 OFDULRGGIQGQIT-JKSUJKDBSA-N 457.390 2.886 50 10 JFGE COc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)c1OCc1ccccc1 2323157565 UJFGOSXDRIKLPT-CYBMUJFWSA-N 455.496 2.501 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](C2CCC(Br)CC2)C1 2327870116 YQKHRZTUWZDYCY-HWOWSKLDSA-N 469.401 2.888 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)[C@H](CBr)C1CC1 2364343242 XYYSMFVFUCYBKC-SECBINFHSA-N 494.047 2.880 50 10 JFGE CC(C)NC[C@H](CCl)OC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O 4277184 GJCMSYQSRCJSCE-SLFFLAALSA-N 491.924 2.671 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13979274 UWWLTJDEPGUWLO-NSHDSACASA-N 472.350 2.870 50 10 JFGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 15244088 BFBISWUTBHRVOL-UHFFFAOYSA-N 458.467 2.815 50 10 JFGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc(C#N)c(C#N)nc12 39846410 QKOYRQMMQKSGQE-YADHBBJMSA-N 479.338 2.773 50 10 JFGE Nc1c(NCc2ccc3c(c2)OCO3)ncnc1NNC(=O)c1ccccc1Br 40686206 ROZQKIILFRBOQL-UHFFFAOYSA-N 457.288 2.919 50 10 JFGE Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2cccc(C)c2)cc1 59503239 XTQXTNUEWKAWRW-UHFFFAOYSA-N 469.544 2.788 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccnc2)CCC3)cc1 101605410 VWNSLVHBCUTSMW-NLRVBDNBSA-N 461.478 2.537 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 207222259 WRXJAMXBYFSKGQ-ATVHPVEESA-N 451.435 2.897 50 10 JFGE CCCN1C(=O)C(=NNC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 254484373 MGVWDCFFBQQBCW-UHFFFAOYSA-N 481.516 2.933 50 10 JFGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 254628986 ADOCMAQAZWASIH-UHFFFAOYSA-N 464.409 2.833 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)Cc1ccccc1 703980086 VBOPQWRTQUNLLG-INIZCTEOSA-N 465.369 2.598 50 10 JFGE CCCOc1ccc(C=NNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 1083989151 ZBVNLGSWZFFUCZ-UHFFFAOYSA-N 457.527 2.700 50 10 JFGE C#CCCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1556491907 MBGCNVPVOBAKSG-LFIBNONCSA-N 454.328 2.625 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)nnc1-c1ccco1 1608478485 OQHAJLTVILVWKS-CQSZACIVSA-N 459.503 2.960 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCI 1978678200 RBZHURWJMBOBAN-QGZVFWFLSA-N 496.342 2.536 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2142940930 RJJFOJCIWZXXEP-XUVXKRRUSA-N 487.391 2.886 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2182451483 TXBPGVXOUPZFBI-IRXDYDNUSA-N 470.405 2.562 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2243663162 FMSLJCGYKQVWRR-HUUCEWRRSA-N 464.352 2.532 50 10 JFGE Cc1cc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2260832948 QSFNHENMMCIKJD-UHFFFAOYSA-N 472.350 2.610 50 10 JFGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 2297471332 CDAGCNNJBNAZIK-RTBURBONSA-N 490.994 2.727 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315422952 XKYVWSLSWUDBTN-FKPWOLHESA-N 473.364 2.588 50 10 JFGE N[C@H](CCSS[C@H](C[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2333220595 WYSMLTOHPQSVDI-VAMGGRTRSA-N 490.603 2.696 50 10 JFGE OB(O)c1cc(Br)cnc1Oc1cc(Br)cc(I)c1 2338667155 QSNWJCFOWJTLLK-UHFFFAOYSA-N 498.705 2.683 50 10 JFGE BrCCOCCN1CCN(Cc2sccc2I)CC1 2338760610 OHTLUHOKSTYUOL-UHFFFAOYSA-N 459.191 2.882 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629854 YHUJYVNJSHZJOJ-GJZGRUSLSA-N 478.343 2.622 50 10 JFGE COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCSCC4)ccc32)cc1 40423157 YEEKKDMABQLVBJ-UHFFFAOYSA-N 480.571 2.780 50 10 JFGE in-vitro CCCNC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 59151710 PXRHLQCFKQIVJU-LHLOQNFPSA-N 463.321 2.766 50 10 JFGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 254866599 MRAKNMNEBGSJBV-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE O=C(NNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Br)c[nH]1 750843763 PMQXZGNSMNEMCJ-KLXDDXCJSA-N 463.376 2.746 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c(OC)c1 1084654654 XYKQXBYXKKXBIF-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)C1 1860771283 OYWCAOAWBJTGFK-XTPCBIOYSA-N 487.563 2.974 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1860771914 LOSNKEBNDCOZEE-CZUORRHYSA-N 468.579 2.987 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1N(C)C 1860772206 VDWQVXPYOSPLAZ-CQSZACIVSA-N 453.568 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CCBr 1942994844 PYPJSKXHJTVFTA-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NS(=O)(=O)N1CCC(Br)CC1 2106301326 IBSXRRNILWAXGQ-STQMWFEESA-N 454.431 2.572 50 10 JFGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256642169 UJCVGYLJJUWUTR-XMMPIXPASA-N 492.406 2.916 50 10 JFGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1OCC(N)=O 2297382499 MDQXQWAYANCYQR-UHFFFAOYSA-N 484.940 2.985 50 10 JFGE CC(C)[C@H](CBr)N(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2302570175 UXVBVBFBAGZSEB-YJBOKZPZSA-N 463.369 2.692 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2344149085 IEWVZMRAQWACDN-CABCVRRESA-N 457.312 2.922 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13622913 KQNUITSZJAWTAV-CQSZACIVSA-N 480.746 2.677 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC 13977335 PSGCNHBHPPMQEG-JXMROGBWSA-N 484.578 2.775 50 10 JFGE COc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2)cc1 13978175 FCODBJCUPZOMDD-DPCVLPDWSA-N 490.516 2.762 50 10 JFGE CN(C(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 217189229 YNKDWMBHEINIPB-NXVVXOECSA-N 466.991 2.971 50 10 JFGE Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1 251267245 JQMTYVHKDOPVCH-NQIIRXRSSA-N 479.606 2.665 50 10 JFGE CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCN3CCCS3(=O)=O)c2C)cc1 725761154 NQNKFLUUZKJZBL-LTGZKZEYSA-N 470.595 2.942 50 10 JFGE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(OC(F)F)c1 728612593 VQZOBXYHSUMVEG-QGZVFWFLSA-N 452.433 2.712 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(Br)cc2)(c2ccccc2)CC1 1463642705 PMHVZITYNANPLL-UHFFFAOYSA-N 456.340 2.957 50 10 JFGE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1859008675 WSVZESVEXLPGDE-UHFFFAOYSA-N 494.485 2.916 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 1885845232 DBPKDCSYDOFHHE-TZMCWYRMSA-N 454.431 2.620 50 10 JFGE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904381865 CFUCUIPCUBQRFW-ORAYPTAESA-N 465.638 2.945 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(CBr)CC2(CCC2)C1 1999818364 GZKSZFAWVXLJGX-UHFFFAOYSA-N 455.374 2.690 50 10 JFGE CO[C@@]1(CBr)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089701678 VUKDFLFQJRAUAQ-HXUWFJFHSA-N 487.416 2.659 50 10 JFGE CC1(C)C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2106303777 YFMBYXCGKHWTOJ-CQSZACIVSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1(C)C 2106894885 WVLVELZFEKWCQU-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2248401133 FUPBHIVMHWRGMY-HSZRJFAPSA-N 478.379 2.607 50 10 JFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296727514 JPZSZHGTNDKVRB-LJQANCHMSA-N 477.502 2.658 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)C(C#N)=C1C 2297534348 MNKXBPDGONZGJO-UHFFFAOYSA-N 452.492 2.597 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)(B(O)O)C2)cc1I 2342474150 ZJISDIRXHUNPCG-KRWDZBQOSA-N 474.104 2.717 50 10 JFGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629235 MBSUYQUFQZUIHQ-OAHLLOKOSA-N 486.322 2.770 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1cccnc1 40611414 AJZXKQWAZBMSBR-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 58986805 PLINYCLFVDRINX-HZHRSRAPSA-N 453.528 2.708 50 10 JFGE COc1ccc(CCC(=O)N2CCCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)cc1 725867167 VHYADOQMFOJODI-UHFFFAOYSA-N 475.549 2.765 50 10 JFGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084063391 VJEHNKNGRBGFFZ-UHFFFAOYSA-N 455.430 2.913 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1C(C)(C)[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2175944805 RUKOUMYZFXRQGW-KFWWJZLASA-N 466.442 2.714 50 10 JFGE C[C@@H]1CN(S(=O)(=O)c2cnn(CCCBr)c2)[C@H](C)CN1Cc1ccccc1 2179786822 GPCQWXQKMLUUID-IAGOWNOFSA-N 455.422 2.952 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCCl)CC1 2207528410 AWBSMUMGOLOVAU-UHFFFAOYSA-N 456.992 2.749 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2CCCCCI 2220223115 NGNWMMISAXEBJI-GOSISDBHSA-N 465.376 2.793 50 10 JFGE CO[C@@H]1CN(C(=O)c2ccccc2I)[C@H](CBr)[C@H]1OC 2233356213 PAWDETYOJPFGOB-JHJVBQTASA-N 454.102 2.541 50 10 JFGE COc1ccc(CNS(=O)(=O)CI)cc1NC(=O)OC(C)(C)C 2243690505 UUGMKKROPKTFCR-UHFFFAOYSA-N 456.302 2.854 50 10 JFGE Cc1c(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)ccc(B(O)O)c1Cl 2284143760 RMZZRDKDMYJMFR-UHFFFAOYSA-N 488.777 2.721 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2OCC[C@@]2(CBr)C1 2296352328 DUFQQMABWMWXPJ-UKRRQHHQSA-N 450.114 2.846 50 10 JFGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 2296732180 FALIPNKTKJLFOC-RTBURBONSA-N 457.534 2.574 50 10 JFGE CC(C)N(Cc1ccccc1)C(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2324532296 PEHWLNOEDFQWMJ-UHFFFAOYSA-N 452.580 2.838 50 10 JFGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623608 IOLWWEHEJCUNGF-APWZRJJASA-N 468.579 2.548 50 10 JFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 58990026 WYAWTRSHIBDPBI-YDZHTSKRSA-N 485.526 2.607 50 10 JFGE CNS(=O)(=O)c1cccc(C(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c1 752007796 RRYRQLNZMOUKCZ-UHFFFAOYSA-N 477.546 2.668 50 10 JFGE COc1cccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC 1084025880 LFTRWBDGADMCTD-UHFFFAOYSA-N 465.959 2.908 50 10 JFGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1cccnc1 1084220054 GNQVIHLXQUSALI-UHFFFAOYSA-N 459.535 2.875 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1)[C@H]1CCCO1 1616963775 JABFJXGPVIWVHX-YKVCFYRQSA-N 459.506 2.685 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772026 ORIROUSUKVSMBX-QWHCGFSZSA-N 470.551 2.622 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1csc(Br)c1Br 1945184036 UIKFJVNUOJOJBE-RXMQYKEDSA-N 496.946 2.980 50 10 JFGE C[C@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)F 1998356888 MFXFVEBYSWIWED-QGZVFWFLSA-N 467.332 2.791 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)[C@H]1C2 2008065907 CSPIRPBRMKRJNA-RRQGHBQHSA-N 455.374 2.640 50 10 JFGE CCn1c(C)nc2cc(C(=O)NNC(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)ccc21 2059826649 MBNPSUBEDKDELM-GFCCVEGCSA-N 454.556 2.840 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065402871 KSKCSVLFSZTXHZ-QDMKHBRRSA-N 469.401 2.744 50 10 JFGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301133618 NVVNPDKNATYYFY-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2326680450 VXQDYVVRVVYOHR-RHSMWYFYSA-N 469.401 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]1(CCl)CCCOC1 2364194962 LKGMRHXGWYCQSY-NRFANRHFSA-N 456.992 2.798 50 10 JFGE COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1I 66200714 IYERXKGIALMHAX-DJKKODMXSA-N 456.236 2.787 50 10 JFGE N[C@H](CSS[C@H]1CCN([C@@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 144353272 AMPOCARAOGXMMH-LBEZCMGWSA-N 468.572 2.725 50 10 JFGE CCOC(=O)/C(C#N)=C\c1cccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 206743905 LXZGKAXWPLFCLI-PTNGSMBKSA-N 463.402 2.657 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2cnc(C)s2)cc1 920850725 DMQMJVKHYINLDE-YVLHZVERSA-N 464.551 2.765 50 10 JFGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1083918921 IPRIUXHOGYQESH-UHFFFAOYSA-N 479.606 2.711 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1 1084313376 IICNRUGJSAZKRP-UHFFFAOYSA-N 467.482 2.511 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC1CCCCC1 1084400654 LHNLXDPWQMUIJD-UHFFFAOYSA-N 470.957 2.934 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)c1 1633198466 NMPRRYVCDWNKIB-UHFFFAOYSA-N 450.520 2.511 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)c1 1644011448 HWQXHQBJIXCJTR-UHFFFAOYSA-N 458.547 2.656 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1O)CCC2 1772751776 MQSPPDVKRZOOCW-UHFFFAOYSA-N 450.451 2.740 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cc2ccccc2oc1=O 1860771079 IQVXEAIOGYKKAC-UHFFFAOYSA-N 472.482 2.693 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(C(F)(F)F)cc1 1860771367 SRZZWLIORVCYNS-UHFFFAOYSA-N 450.442 2.817 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC1CC1 1942806573 XOEKMVBJHFMYJM-OAHLLOKOSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC=CC[C@@H]1CBr 2007529869 VGPTXSBESRQOSZ-OAHLLOKOSA-N 455.374 2.808 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 2108234207 MYMNZLZYPRRYTL-ITSWUFQBSA-N 487.391 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134139099 SSYZJGHCQZXSLC-NOJZPKSCSA-N 491.354 2.679 50 10 JFGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 2297471341 JHQXYGIATOPEIN-MOPGFXCFSA-N 456.524 2.947 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](C2CCC(Br)CC2)C1 2327870117 YQKHRZTUWZDYCY-PCKAHOCUSA-N 469.401 2.888 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14036206 OSUKQRGAIVUSEC-UHFFFAOYSA-N 460.512 2.878 50 10 JFGE COc1cc(/C(C)=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1OC 15905833 KWNPBYMMOARGEQ-HAHDFKILSA-N 461.540 2.651 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)sc1Br 234583984 HOPSFINVMQTURP-YFKPBYRVSA-N 496.946 2.980 50 10 JFGE CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NNC(=O)CCOc2ccccc2)CC1 726278990 MVIWZLPQVZFHLD-SFHVURJKSA-N 457.550 2.828 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 1084543506 DRSCYDRHILQQOW-UHFFFAOYSA-N 496.545 2.987 50 10 JFGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1564790304 OCXATMPTEVFYNB-RTWAWAEBSA-N 472.567 2.782 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNc3cc(C(=O)OC)ccc3Br)cc2C1=O 1628677299 IFPGBBHARFDJIH-UHFFFAOYSA-N 458.268 2.775 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@]2(CCC[C@@H]2Br)C1 1918925822 BJVPZRYTVDXGTQ-QFBILLFUSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2006878028 PTOQSNPJWUHRBZ-LLVKDONJSA-N 471.295 2.698 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2108233236 FMCIVQCBEPVGGQ-KUHUBIRLSA-N 487.391 2.838 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2243685477 VPIINAFVBCFRCU-HUUCEWRRSA-N 464.352 2.532 50 10 JFGE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c1 2329665505 PBFPALYYIGCEGM-LBPRGKRZSA-N 457.284 2.681 50 10 JFGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccccc1Cl 12501618 FOQYVQWCKFWHHH-UHFFFAOYSA-N 459.696 2.894 50 10 JFGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 14644901 IGPPGZLQMHDCFK-UHFFFAOYSA-N 470.595 2.844 50 10 JFGE C[C@@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1 31829583 TZZZNKVNXWUZBM-PGLPOQTASA-N 476.356 2.596 50 10 JFGE COc1cccc(NC(=O)/C(C#N)=C/N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 254307774 NKNOCDMMDKGEQH-CJVDRRQWSA-N 498.586 2.825 50 10 JFGE COc1cc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 254626404 IKFMXGNWAKPERX-RPBBWBRJSA-N 493.541 2.743 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2ccc(OC)c(F)c2)(c2ccccc2)CC1 1626364765 YRXKEDQWGBGZBR-UHFFFAOYSA-N 456.543 2.898 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852047 ODEDMKHCTJHZQP-HNNXBMFYSA-N 482.562 2.689 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 1993245253 BDOCTHZFOCSOMS-CYBMUJFWSA-N 467.654 2.673 50 10 JFGE CC(C)C[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540205 DJLGVHQDTBTSBK-SCLBCKFNSA-N 463.369 2.740 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CBr)CCC1CC2 2122356197 MSPLGRWAJPQJMC-JFUAUVDRSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162593011 ZYBKCMUXPIPCMX-GOSISDBHSA-N 463.394 2.886 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199775640 KEEZRERBXZLZOB-JCGIZDLHSA-N 499.427 2.513 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2243665559 TXYDZKFFHFZYFU-CQSZACIVSA-N 464.714 2.886 50 10 JFGE CC(C)c1cc(B(O)O)cc(C(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1 2267240933 IBWLLOUJLRCIOK-UHFFFAOYSA-N 456.348 2.589 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2269686156 IBJRIYSGMAPQQF-RUZDIDTESA-N 490.340 2.685 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2301661717 KBXULKILUHWMSB-XMMPIXPASA-N 458.323 2.931 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 12339701 YLGZHSGGWLRICW-KVSKMBFKSA-N 452.646 2.795 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657834 IEJOBRLTYDOQFT-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE CCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OCC 254383780 LGZCZXSRXFIXSC-UHFFFAOYSA-N 482.526 2.912 50 10 JFGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1OC 254696800 CWYAAEGBXPDMLX-UHFFFAOYSA-N 494.537 2.696 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1 1084139715 ZYSBAKXRBFGADQ-UHFFFAOYSA-N 450.308 2.950 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1230489568 RXESLCKJCVZLPL-QFIPXVFZSA-N 451.486 2.763 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 1918527650 GHSWAWSEZZKVAQ-ZDUSSCGKSA-N 471.295 2.698 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2029705215 WKQMHUBKWLKDDI-ZDUSSCGKSA-N 479.343 2.745 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2N1S(=O)(=O)N1CCC(Br)CC1 2164650094 XVRJTODQVKEDTO-CWRNSKLLSA-N 466.442 2.858 50 10 JFGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179830538 MDOFLTASCHJYJS-HFPIOELMSA-N 457.434 2.855 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 2313617050 YSJGIPXGHCORSU-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CBr 2381139368 WGCOUBGDVIQJAX-SFHVURJKSA-N 499.427 2.659 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658450 NFNINEWJYYHOIM-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE O=C(/C=C/c1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254399087 QJCOQGKFWICMTJ-KHDCVPKASA-N 482.496 2.612 50 10 JFGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951861 SWUFZQJPNYADIW-KGLIPLIRSA-N 457.390 2.744 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)c2nc(C)cs2)cc1 727678287 QFMKEBUISQGAOB-ZXMBATIKSA-N 464.551 2.983 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cccnc2)nnc1-c1ccccc1Br 1084091185 UKQWKFHEKHRSNO-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NC2CCCCC2)cc1)NCCc1ccccc1 1084605780 NKISVVYVWUJCJW-UHFFFAOYSA-N 464.566 2.713 50 10 JFGE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 1858628642 KTNZHAOOBNWYKP-UHFFFAOYSA-N 455.876 2.762 50 10 JFGE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c1 1866131979 WJLGTTKYCNLNEB-CHJAJTDHSA-N 457.284 2.681 50 10 JFGE Br[C@H]1C[C@@H]1Cn1cnc(I)c1I 1881367467 VTCHTRXNKJULTE-UHNVWZDZSA-N 452.859 2.876 50 10 JFGE CC(C)(C)OC(=O)NCCOc1ccc(NS(=O)(=O)CI)cc1 1983328134 UJPXJRRBXGVBIW-UHFFFAOYSA-N 456.302 2.724 50 10 JFGE Cc1sc(Br)cc1S(=O)(=O)NCCOCCCI 2042198733 RGBIHYRTTLTLPG-UHFFFAOYSA-N 468.176 2.939 50 10 JFGE CC(C)(C)OC(=O)Nc1ncc(CNS(=O)(=O)N2CCC(Br)CC2)s1 2044262309 NSODYNICRPEUQH-UHFFFAOYSA-N 455.400 2.684 50 10 JFGE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2106780189 VYYXGTXFKNFULA-KGLIPLIRSA-N 454.431 2.716 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2248414163 FUPBHIVMHWRGMY-QHCPKHFHSA-N 478.379 2.607 50 10 JFGE COc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(B(O)O)c1 2268613686 XPKAANQFCVQLET-VWLOTQADSA-N 488.349 2.877 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCN2CCOCC2)cc1 2296537330 DGZJXDJSVRCMBY-UHFFFAOYSA-N 457.534 2.903 50 10 JFGE Cc1ccccc1C=C(C=O)N=c1[nH]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2s1 2329796296 VNGNTKOZCMPNLY-UHFFFAOYSA-N 456.593 2.615 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2351616195 WUJJVVXJAYQTPG-AZOIQLNYSA-N 487.391 2.884 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13977128 LFHAIOOPVYFKAN-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CC(/C=C/c1ccc(N(C)C)cc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 254482787 DLSINFLMUDJSCM-AQKXHJSOSA-N 463.527 2.846 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727366191 SLLQHEMPRZOCOB-UHFFFAOYSA-N 486.623 2.575 50 10 JFGE C[C@H](CN1CCOCC1)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916053657 CGAZXXDRVCXKRV-HNMKQIAWSA-N 452.946 2.861 50 10 JFGE C=C[C@@H]1OCC[C@H]1CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 1639557549 JHJBDRCFMSKRAT-XUUOCQBQSA-N 453.930 2.693 50 10 JFGE COc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772720412 LEYHFELROUWJML-UHFFFAOYSA-N 487.354 2.853 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CC(CCBr)C1 1942859465 YGSKZKXFBGUEDO-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106782285 PKPIAKAYLXJDEJ-DZGCQCFKSA-N 454.431 2.858 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 2108243525 LSOFZXQKZPYMAZ-AUUYWEPGSA-N 487.391 2.838 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Br)cc1Br 2121335836 CPPPXTSKAPWSTJ-NXEZZACHSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cc(B(O)O)cc(C(F)(F)F)c1 2267397653 IZJGMMHLFJWEHD-UHFFFAOYSA-N 466.265 2.552 50 10 JFGE Cc1ccc([C@H](O)CNC(=S)SSC(=S)NC[C@@H](O)c2ccc(C)nc2)cn1 6280925 WTVSHZHSAFXTCM-HZPDHXFCSA-N 454.668 2.991 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 17518506 JLGGYUJZJIXHRW-LJQANCHMSA-N 494.013 2.632 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC 33627744 PSGCNHBHPPMQEG-YFHOEESVSA-N 484.578 2.775 50 10 JFGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 217175916 QOMLJWMKLKOQCK-AJNNJPABSA-N 498.605 2.603 50 10 JFGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21 254379459 AABJSJWNGTYBTB-UHFFFAOYSA-N 487.354 2.757 50 10 JFGE O=C(Nc1cc(F)ccc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccoc1 728211172 JXIFZMDTILJIAC-UHFFFAOYSA-N 458.471 2.869 50 10 JFGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)Cn3nnc(-c4ccccc4)n3)c3ccccc3C2=O)cc1C 912745459 FXLHLCXOFYIJPW-HZHRSRAPSA-N 493.527 2.806 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCS(=O)(=O)C2)c(-c2ccc(Cl)cc2)n1 914453487 GJTQULVSVITNCP-DISPHTKASA-N 457.943 2.575 50 10 JFGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Sc2nncn2C)cc(OC)c1OC 1084064649 BKDMYOGORUCPPZ-UHFFFAOYSA-N 472.483 2.664 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)C1 1860769991 OUGZQNMIKZAZDN-OAHLLOKOSA-N 461.547 2.835 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](Br)C1 2003409963 LRTTYSAXXMQRER-FZKQIMNGSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2029212618 LGAOQGXAYVUOKO-BMGDILEWSA-N 469.401 2.888 50 10 JFGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1cc(I)ccc1O 2206484515 JICMJXOYABRVJO-JQWIXIFHSA-N 452.086 2.812 50 10 JFGE OB(O)c1ccnc(Nc2cc(Br)c(Br)c(Br)c2)c1 2231677788 IYERQXGTGTYIRS-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE N#CC(=Cc1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296732283 QKSUYALLEVTMQH-UHFFFAOYSA-N 456.911 2.523 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@H]1CN(S(=O)(=O)CI)C2 2303898501 QSFBWNTYHDAQSF-GXFFZTMASA-N 480.315 2.723 50 10 JFGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 13621158 IGSSKYFREROQAK-LHHJGKSTSA-N 452.536 2.783 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623487 WHALGQKIBNWOMY-HXUWFJFHSA-N 482.606 2.940 50 10 JFGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629894 COLFXVZTQBKPQO-AWEZNQCLSA-N 492.370 2.915 50 10 JFGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(CCc2ccccc2)n1N 58990361 TVRYATPWKGXUSO-FSJBWODESA-N 489.399 2.791 50 10 JFGE CCn1c(NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)nc2ccccc2c1=O 727369859 VMWWCDHVRBMYNP-UHFFFAOYSA-N 462.554 2.824 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 728086745 XGTMGNMWNYZXQD-DZGUVLCISA-N 451.479 2.804 50 10 JFGE CC(C)NC(=O)NN=Cc1cc(I)cc(I)c1O 1115908234 FWHVODCHYPMBMT-UHFFFAOYSA-N 473.052 2.643 50 10 JFGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1916333354 SALYJHZODFIIQK-ZDUSSCGKSA-N 481.210 2.783 50 10 JFGE COc1ccc(C=C(C#N)C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2079471647 KPWICSBUSXQOPW-QFIPXVFZSA-N 454.490 2.896 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@@H](O)[C@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080453569 OUJYNPNQUGYAMJ-MLSHDEGVSA-N 476.566 2.693 50 10 JFGE CC1(C)C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2106303776 YFMBYXCGKHWTOJ-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(F)cc1I 2178907375 PZOYNMLMPVFLDT-GXSJLCMTSA-N 455.109 2.970 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CBr)C1 2239187030 AJXSFGCNUUWCNG-UWJYYQICSA-N 499.427 2.515 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2273664919 PRUMAVJPMQQDEQ-OYNCUSHFSA-N 457.131 2.762 50 10 JFGE COc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 2297449919 GFPQLMIFPBYWSI-UHFFFAOYSA-N 486.531 2.656 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OC 2313855671 SDIZDFYBNZIGNX-INIZCTEOSA-N 457.552 2.823 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@H]1[C@@H]2CBr 2316822887 VKZHBNUVNVWVRA-ZTFGCOKTSA-N 469.401 2.888 50 10 JFGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2355843219 HYXVYCFBPTWBGE-SLFFLAALSA-N 456.450 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2364213569 HQCWKSAMHCRCEH-SFHVURJKSA-N 499.427 2.801 50 10 JFGE CN(C)[S@@](=O)(=NC[C@]1(CBr)CC1(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2379984314 LUBDZKXUHGLRSH-RXAIFQJESA-N 475.400 2.819 50 10 JFGE C[C@H](C(=O)NN=Cc1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O 8666127 OBUJQPRMTVEICT-CQSZACIVSA-N 467.389 2.820 50 10 JFGE COc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 1772719871 JHCFOJBBUPMSBW-UHFFFAOYSA-N 456.930 2.992 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1860770623 QBIJGQBMBWZEBV-UHFFFAOYSA-N 487.390 2.653 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 1860771034 GZYBPIDFIAYRLS-RYUDHWBXSA-N 455.496 2.513 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H]1Br 1883531046 LFIDIUAHRIGSJN-QWHCGFSZSA-N 450.374 2.648 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 1918533472 QSWOJFCXCDJLMY-ZDUSSCGKSA-N 485.322 2.944 50 10 JFGE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(S(=O)(=O)CI)C1 1983331755 YRUKKTVBVROWLT-JTQLQIEISA-N 468.304 2.675 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2016064723 LVQBEMHOKPQMTD-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)[C@H]1CC=CCC1 2019480547 MQVHMWMUJAJXOV-YOEHRIQHSA-N 455.374 2.712 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC12CC(CBr)C2 2042651046 GFGZSQVTYKFZAI-UHFFFAOYSA-N 469.401 2.888 50 10 JFGE Cn1cc(Br)c(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)n1 2143632215 ACFSKJXZHQLWGK-SECBINFHSA-N 493.059 2.936 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146692137 IUPSHIMEYZNYRF-XHVZSJERSA-N 452.086 2.764 50 10 JFGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146695155 SPLXYNKCZWERRQ-GAFUQQFSSA-N 452.086 2.764 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185292859 KHEASNYYAJDBPF-XTWCZFFVSA-N 452.086 2.764 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H]2CBr 2311900180 ADZQWLGXEIHETC-QGTPRVQTSA-N 469.401 2.746 50 10 JFGE CCOC[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826031 GWOSULCOCZZEQN-OAHLLOKOSA-N 475.405 2.562 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2317605583 MNSLUFHGQZTHQR-VWLOTQADSA-N 472.350 2.642 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2325893300 IJXNLYRNLAPKNP-OAHLLOKOSA-N 466.563 2.842 50 10 JFGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)c1cccc(Cl)c1 101067383 RYKMOKPZCRRSSH-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 208150809 PTVQUYSTUPLCRZ-YXIGLJHJSA-N 471.561 2.882 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(CC)c3ccc(O)cc3)nnn2-c2nonc2N)cc1 254555307 HZNBVALVYXVWOS-UHFFFAOYSA-N 476.497 2.938 50 10 JFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1OC 254814192 BHOKSDNHHKDMQH-UHFFFAOYSA-N 494.537 2.614 50 10 JFGE C#CCCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1626893134 KSFUZTWCBWGVIY-FOWTUZBSSA-N 454.328 2.625 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c1 1633773628 NHFFWHKLCUGISC-WCCYLALTSA-N 453.568 2.772 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2CC1(CBr)C2 1942099446 ULSKAHNKTGVJIV-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE CSCC[C@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026309 QCMQZWZGOYMTFF-FZKQIMNGSA-N 495.436 2.837 50 10 JFGE COC(=O)[C@@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147181 KFAJJQMYOKPPEV-QMMMGPOBSA-N 490.917 2.720 50 10 JFGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)N1CCC(Br)CC1 2193227438 AYVJCNXADQIBLF-JKSUJKDBSA-N 470.355 2.743 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2318792678 GMAZKHSLWNIABE-CQSZACIVSA-N 482.562 2.776 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2325066227 VUWAFPALYRPATC-VBKZILBWSA-N 495.664 2.619 50 10 JFGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2369418535 DZXUIKNRBUFILD-MRVPVSSYSA-N 469.966 2.971 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2cc(Br)cn2C)c(C)n1C[C@@H]1CCCO1 26605338 QMRKTRGCBLTCNR-WHMKARLCSA-N 474.359 2.753 50 10 JFGE Cc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(=O)N2C(C)C 38180211 YKYCZCBBXMVBRC-PLRJNAJWSA-N 457.328 2.763 50 10 JFGE O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1ccc(F)cc1 504212871 MPLAAWNLGAYEJC-HZCDPMODSA-N 485.519 2.545 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1 1562639433 CEVLFSWWVHXEDY-MRXNPFEDSA-N 452.511 2.958 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1565519268 IEUXRUMKEXKNJE-UHFFFAOYSA-N 499.545 2.764 50 10 JFGE CC(C)(C)OC(=O)N1Cc2nc(NS(=O)(=O)N3CCC(Br)CC3)sc2C1 1898858006 AVESJWCZZLBUHA-UHFFFAOYSA-N 467.411 2.910 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 1914027191 AGDMKXRWUDLHNJ-HNNXBMFYSA-N 469.401 2.890 50 10 JFGE CN(C1(CBr)CC(C)(C)C1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2000580462 RWGQWXBZNSOYOV-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE CC[C@@H](Br)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022398 JSMUNOWPIONKMW-YJYMSZOUSA-N 475.380 2.979 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2108233237 FMCIVQCBEPVGGQ-LIRRHRJNSA-N 487.391 2.838 50 10 JFGE Cn1ncc(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)c1Br 2173258011 NXFSCMBTNQOMRZ-SNVBAGLBSA-N 493.059 2.936 50 10 JFGE CC[C@H]1CN(c2ncc(Br)cc2B(O)O)[C@H](CC)CN1C(=O)OCc1ccccc1 2240334367 VVAXPVBHBBLYMG-MSOLQXFVSA-N 476.180 2.540 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2256598790 SFBWCKCEKDQKAP-XMMPIXPASA-N 492.406 2.950 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1c(OC)cccc1OC 2314793640 WIQMPOMOKOAKEM-UHFFFAOYSA-N 452.463 2.697 50 10 JFGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H](CCBr)O1 2364017691 MSEUYTKDXHRVKT-SFYZADRCSA-N 473.991 2.960 50 10 JFGE NNC(=O)c1ccoc1COCc1cc(I)ccc1Br 2367267957 FXCMLABIUYVFAL-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE NNC(=O)c1sncc1COCc1ccc(I)c(Br)c1 2377633461 RWOJDTQVXWTEKB-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58988526 SRJSAKDNLXNEJL-OEAKJJBVSA-N 468.543 2.656 50 10 JFGE CC(C)(C)NC(=O)CCN(NC(=O)c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21 59857770 SXTGWCYQUVFIRQ-UHFFFAOYSA-N 462.959 2.741 50 10 JFGE Cc1ncc(CO)c(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1O 254343368 XLMJTSLHSRYTJQ-UHFFFAOYSA-N 474.926 2.806 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COC[C@H]2Br)cc1Br 323195068 SIXBIBMWCMADIF-ZJUUUORDSA-N 478.000 2.961 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNc2ccccc2I)c1 1643726281 BUPDYXJGLLNICF-UHFFFAOYSA-N 454.289 2.845 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1S(=O)(=O)CI 1983326533 BHFDJNDZBDIGSP-CHWSQXEVSA-N 458.362 2.963 50 10 JFGE CC(C)(C)[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538542 HTUXIBHQTBSNMU-KDOFPFPSSA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)CI)C(F)(F)CC1 2243782784 MSNGYCAFOGIKLW-JTQLQIEISA-N 468.304 2.723 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268705553 FFJVLCTZQJSZAM-QGZVFWFLSA-N 476.766 2.767 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860882 VFZOIYNOBDTNRE-UHFFFAOYSA-N 455.496 2.682 50 10 JFGE NNC(=O)[C@@H]1C[C@@H]1CCCOCc1cc(I)ccc1Br 2367268744 NUSONNXZMNYHQO-JOYOIKCWSA-N 453.118 2.977 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594064 TUSSWMYWHARRMH-UHFFFAOYSA-N 480.437 2.767 50 10 JFGE O=C(C[S@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1 100989176 HBQOFMFRQSWMMX-SSEXGKCCSA-N 482.370 2.510 50 10 JFGE N[C@H](CSS[C@H]1CCN([C@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 144353072 AMPOCARAOGXMMH-BQUVUFJXSA-N 468.572 2.725 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccco2)cc1)Nc1ccccc1Cl 1083895602 SFMXVHUDFUFQTP-UHFFFAOYSA-N 454.870 2.717 50 10 JFGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1 1461836286 GKOWTCKUAPPMPX-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)C1 1872960344 BXQXHYLRBJQDAW-WOJBJXKFSA-N 457.534 2.970 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 1883275232 RKKZKIVTVVEOCF-HOTGVXAUSA-N 487.416 2.562 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NS(=O)(=O)CI 1983329256 HPTCGGPZYXGPQY-NWDGAFQWSA-N 458.362 2.772 50 10 JFGE CCC(CC)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545885 VVBWPQUTMMQYSL-QGZVFWFLSA-N 463.369 2.884 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@H]1Br 2046027920 DKISKHRUPWMDBF-XBQLXHJASA-N 475.380 2.834 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2106979556 JHQDJJGQLLPENO-DOMZBBRYSA-N 452.882 2.742 50 10 JFGE BrCc1nnc2n1CCN(c1ncc(I)cc1Br)C2 2133373294 RGMWBGQENXSNDE-UHFFFAOYSA-N 498.948 2.955 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CC(F)F 2177313196 VUPFQHITGYFCDW-CYBMUJFWSA-N 476.384 2.667 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178087405 QTOZDXGINYLAAH-QRTLGDNMSA-N 454.077 2.912 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1CCBr 2216470700 NAFLRXLSOSVLKY-CQSZACIVSA-N 457.390 2.746 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)N[C@H]1C[C@H](Br)C1 2263363241 SBVLMPYXPQWAPH-KBTIHESUSA-N 462.989 2.998 50 10 JFGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccccc1I 10450580 NDSNUVVASWWAPJ-CMDGGOBGSA-N 496.286 2.548 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623014 GIPZWKBYCXVWCS-UKRRQHHQSA-N 450.322 2.957 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 41012251 UMYSLEPUOTVMEB-LDADJPATSA-N 451.435 2.897 50 10 JFGE O=C(c1cccc(F)c1I)N1CCN2C[C@@H](Br)C[C@H]2C1 721694227 XKEHCJHAYVXOQD-UWVGGRQHSA-N 453.093 2.724 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CCBr)C1CCCC1 725118226 UKJQPEUGCIBCFT-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 726312324 GGTQUFMBRNVAHM-AUUYWEPGSA-N 494.967 2.903 50 10 JFGE Cc1cc(Br)cc(C)c1CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728952512 WAWAJOCMGFRSTK-UHFFFAOYSA-N 461.364 2.603 50 10 JFGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2cc(C#N)ccc2Br)ccc1F 1557418357 MEMWSNZMCCBLLQ-UHFFFAOYSA-N 453.293 2.681 50 10 JFGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2052375228 QWIWNKTTZAGSKS-BIENJYKASA-N 475.380 2.836 50 10 JFGE CC(C)C[C@H](NC(=O)C(C#N)=Cc1ccccc1)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2085240625 YAWFHNPSLFFRCX-PMVMPFDFSA-N 458.562 2.932 50 10 JFGE CC(C)(C)OC(=O)N[C@@](C)(CNS(=O)(=O)N1CCC(Br)CC1)C1CCC1 2137695827 ODQWZAXSSXVRMW-KRWDZBQOSA-N 454.431 2.764 50 10 JFGE O=S(=O)(c1ccc(CBr)cc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2153994695 OFVNLGINHNITOJ-PMACEKPBSA-N 451.386 2.855 50 10 JFGE CN(C[C@H](COCc1ccccc1)Oc1ccc(B(O)O)c(C(F)(F)F)n1)C(=O)OC(C)(C)C 2240285111 RVWRSADTLIWSLY-MRXNPFEDSA-N 484.280 2.611 50 10 JFGE Cc1cc(B(O)O)sc1CNC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248892294 HNSGQHYDOJWFKL-UHFFFAOYSA-N 478.379 2.670 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2cc1OC 2328796729 CCZIGJVJVGCJOY-AWEZNQCLSA-N 494.570 2.980 50 10 JFGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc(OC)c1OC 1920519 MFVXGPBIPWSZNE-WSDLNYQXSA-N 470.511 2.901 50 10 JFGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 102994499 YOJLWUWXQYBVLH-RGEXLXHISA-N 470.533 2.559 50 10 JFGE COc1ccccc1CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254565982 AUZNMBXMABSARZ-UHFFFAOYSA-N 478.538 2.882 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867084311 AVRPYXLRJKVSIK-FQEVSTJZSA-N 499.593 2.898 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1873793023 SCWOBPODQOQYOJ-DAFNMPDCSA-N 476.530 2.971 50 10 JFGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1914632934 ITOUXPZHCLYTHM-SNVBAGLBSA-N 452.172 2.552 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 1949275768 VOTBTPMYHYAHQA-QDMKHBRRSA-N 455.374 2.783 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2029246870 RIZNEHWGQBNXIO-XOBRGWDASA-N 469.401 2.888 50 10 JFGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074209119 SLHINMGRMBVETO-ZNZDAUKMSA-N 475.380 2.884 50 10 JFGE C[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2106773987 NUKHCXGAKBNIBK-UONOGXRCSA-N 454.431 2.573 50 10 JFGE Cc1nc(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)c(Br)n1C 2320659356 AFLAAWAQIXFJHD-AWEZNQCLSA-N 450.786 2.984 50 10 JFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2Cl)ccc1Br 12573651 ICIMXNRWRFCCSM-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)CC1 32307859 FASCBJORSNYGDP-PGMHBOJBSA-N 477.590 2.792 50 10 JFGE CCCN(C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 96021556 HCIOZAMGMNGRKI-TUJQNWBVSA-N 463.600 2.637 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@@H](Br)C1 399927835 LMUNLAYZKKEUBX-VIFPVBQESA-N 478.000 2.996 50 10 JFGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(OC)c(OC)cc2Br)c1C#N 1084177264 PHYQSJXPDWNVHU-UHFFFAOYSA-N 477.315 2.717 50 10 JFGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1540398976 PXGAIKSYUHDYJY-FPOVZHCZSA-N 457.552 2.846 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c(C)nc2c1 1860771250 OGLXMFDGSUNDHP-WFASDCNBSA-N 478.578 2.870 50 10 JFGE CC(=O)NNC(=O)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019089441 BWTQJBIQQVTQIF-NRFANRHFSA-N 485.562 2.657 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 2022913615 BZWRGYJEXHNNGH-LSDHHAIUSA-N 479.665 2.769 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2025368342 PYCPQDFNWJKGPD-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12571708 WFZNLNIUHLAUOI-UHFFFAOYSA-N 484.578 2.929 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1I 13980963 KJWXYDFLWZHKDL-UHFFFAOYSA-N 454.264 2.757 50 10 JFGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)c1 14041982 QHHXMMJSXOQNNS-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE COc1cc(C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC 27496463 ODLOKLWVHQIGTG-RPPGKUMJSA-N 485.928 2.740 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 254616980 JDOSWTGVMDFVFG-UHFFFAOYSA-N 490.480 2.541 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C/N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 254737338 OCDNWTMMEJMLCF-XPPDRLARSA-N 496.614 2.536 50 10 JFGE Cn1ncc(C(=O)NCCCCCCI)c1I 393593088 RTNIDTAFBSEWSY-UHFFFAOYSA-N 461.085 2.750 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1(CCBr)CCSCC1 719661094 BCMLQAJRXZDKEZ-UHFFFAOYSA-N 475.430 2.643 50 10 JFGE Cc1cc(Br)ccc1NC(=O)CCNC(=O)NNC(=O)CCOc1ccccc1 726191902 LTERZBZJFFHHDZ-UHFFFAOYSA-N 463.332 2.886 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)NC[C@H](Br)CBr 1191134357 KFOHJVUNNRCDBD-MRVPVSSYSA-N 465.989 2.894 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)COc3ccc(Cl)cc3)c2C)C1=O 1219059333 KFTOESKZKPLKDN-UHFFFAOYSA-N 459.890 2.669 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(OC)c(I)c2)c1 1303280810 QGGAARNKEGNWJB-UHFFFAOYSA-N 451.289 2.913 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771984 NRRXRASDEDAJEH-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860772034 OWIYXVXWYLLNPA-CQSZACIVSA-N 454.552 2.687 50 10 JFGE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 1866129354 PBFPALYYIGCEGM-FUEWVNAISA-N 457.284 2.681 50 10 JFGE O=C(Cc1ccccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185320702 YACPCTYDGVKUTC-IACUBPJLSA-N 450.114 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CC[C@H](Br)C2)CC1 2250501421 SIQPHCWRFLHOEF-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCCc2ccc(B(O)O)cc21)Cc1ccccc1 2268611186 XHXJDHPHCQEYAO-UHFFFAOYSA-N 452.360 2.863 50 10 JFGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(=O)c1C#N 254865311 GOMKPXYKPDNVRK-UHFFFAOYSA-N 463.450 2.802 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc3ccccc23)c1-c1ccc([N+](=O)[O-])cc1 263632687 COLOAKPECSLVFU-UHFFFAOYSA-N 469.421 2.725 50 10 JFGE Cc1nn(CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 726497063 ZPHSMGASUHAMKV-UHFFFAOYSA-N 455.446 2.978 50 10 JFGE COc1cc(C(=O)NN=Cc2ccc(O[C@@H](C)C(=O)O)cc2)ccc1I 1083901328 DKDQQOFLNZNBOW-NSHDSACASA-N 468.247 2.916 50 10 JFGE C#C[C@H](CCC)NC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1470663509 OXXKKZODXWIBHM-QGZVFWFLSA-N 458.540 2.632 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C[C@]2(CCCO2)C1 1924215901 JVMQUNXDIPTYJQ-IIBYNOLFSA-N 454.976 2.645 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)CCC[C@@H]1Br 2011548702 QIACHBRPFRZKTF-KXBFYZLASA-N 457.390 2.934 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2020782341 JRXAMKIJQSFKMX-FQEVSTJZSA-N 479.665 2.771 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2070539122 PSUSQWVTKNPESH-STECZYCISA-N 473.364 2.731 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305726 REROTLHGLUDAAD-HIFRSBDPSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@H](CBr)C1CCC1 2127125294 GPYSYOIOACOIEI-OAHLLOKOSA-N 451.427 2.518 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@@H](CBr)OCC12CC2 2183975158 VJXIDCYNLDXVPW-SNVBAGLBSA-N 452.086 2.765 50 10 JFGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2217706569 REYYFSXCQQGAFL-FRQCXROJSA-N 475.380 2.979 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2248899065 IQLIBALOINIJLE-UHFFFAOYSA-N 462.286 2.761 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@]1(C)CBr 2253435141 LSONHCHHZJDLQD-RBUKOAKNSA-N 473.364 2.756 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 13997452 OGIYNPKYLDJVLQ-UHFFFAOYSA-N 464.371 2.908 50 10 JFGE COCCN(CCOC)c1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40618325 ZEBPKHZDTNUHKE-UHFFFAOYSA-N 459.290 2.548 50 10 JFGE Cc1ncc(CO)c(C=NNC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1O 254863283 LGLQDRHNOIVZJG-HOTGVXAUSA-N 454.527 2.520 50 10 JFGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 725424422 CWQLZVWVBTVENN-INIZCTEOSA-N 465.300 2.885 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)OC)c(OCC)c2)cc1 725427521 YNQXBGBMPZAJPP-HXUWFJFHSA-N 458.511 3.000 50 10 JFGE CC(C)n1nc(C(=O)NNC(=O)NCCc2c[nH]c3cc(F)ccc23)c2ccccc2c1=O 747985193 DTPVJZTYBJGHTH-UHFFFAOYSA-N 450.474 2.785 50 10 JFGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1084092395 GMTGFOWPIWXIGP-UHFFFAOYSA-N 461.971 2.961 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 1865760128 IFFWGKVHRXZJBW-UHFFFAOYSA-N 451.395 2.957 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1865851951 LFLOUKQOXSTMLD-ZDUSSCGKSA-N 470.526 2.847 50 10 JFGE Cc1c(C=O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887521884 MVUSNIIWSIRXQY-UHFFFAOYSA-N 470.334 2.558 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](CN(C2CC2)S(=O)(=O)CI)C1 1983326567 BVTZKAHFYHCSOJ-GFCCVEGCSA-N 458.362 2.820 50 10 JFGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531331 AKNYFNVDXUBCJV-LXIYXOSZSA-N 463.369 2.740 50 10 JFGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046023867 WCAZKQSRZOFYFY-LPMFXHHGSA-N 475.380 2.836 50 10 JFGE O=S(=O)(c1ccccc1CBr)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179822907 BWMDCYSBJCIHFT-RBUKOAKNSA-N 451.386 2.855 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2243678140 FMSLJCGYKQVWRR-GJZGRUSLSA-N 464.352 2.532 50 10 JFGE Cc1csc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1B(O)O 2256597967 LCJUITILIHKRJC-XMMPIXPASA-N 492.406 2.916 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2329200881 HQXUUIBGQBRQJU-BBVRLYRLSA-N 451.589 2.947 50 10 JFGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502312 WYHFXIYNBIQCIF-UHFFFAOYSA-N 453.436 2.534 50 10 JFGE N#C/C(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)=C1/NC(=O)c2ccccc2N1 34889405 KJLLEQSRYIIPNU-UZYVYHOESA-N 455.440 2.987 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 103744795 HACZUUCDZHSQKO-KEBDBYFISA-N 453.371 2.978 50 10 JFGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc(F)cc3)nnn2-c2nonc2N)c1 254607805 WHPRCDKOXBDTIT-UHFFFAOYSA-N 450.434 2.591 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254740317 PCQLHOUVUJEOFE-TXXDVELLSA-N 481.603 2.874 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703958223 NMDLRQSVAHEPDT-CABCVRRESA-N 471.417 2.992 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(-c2ccc(Cl)cc2)n1 725759849 VTJPZFBCNSJPOO-JXAWBTAJSA-N 486.985 2.566 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Br)cc4)c(=O)c23)C1 1860770203 XWUFQMHWJNIOBK-NSHDSACASA-N 475.368 2.807 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770483 KDRMBWCKJSLKSN-ZIAGYGMSSA-N 474.608 2.716 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770509 LGGIEZJMELPYQE-UHFFFAOYSA-N 498.586 2.842 50 10 JFGE CC[C@@H](Br)C(=O)Nc1c(I)ncnc1I 1974852832 VVVNINSXDYTMTG-SCSAIBSYSA-N 495.884 2.798 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)(F)F 2046022201 IDLMJBJENGMAMT-GJZGRUSLSA-N 489.285 2.646 50 10 JFGE CN([C@H]1CCCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2112848010 YRWIQOHSDPDGPI-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2353835832 VEJAWOCCQMEVNW-OWCLPIDISA-N 453.443 2.762 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-] 40657284 XGGBTPZEBOKBNZ-UHFFFAOYSA-N 492.279 2.971 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109998 UCMDWZXOKLYXDF-QRVIBDJDSA-N 492.399 2.935 50 10 JFGE O=C(CCc1ccccc1)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254624634 LGVGHMUKMJKXSW-UHFFFAOYSA-N 454.530 2.845 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(OC)c2O)sc2c1CC[C@H](C)C2 254716154 WQNLUIKFBJMWTA-LBPRGKRZSA-N 459.524 2.853 50 10 JFGE O=C(N[C@H]1COC[C@H]1Br)c1ccc(I)c(Br)c1 721576655 HACYWIQCJFMOLP-SCZZXKLOSA-N 474.918 2.946 50 10 JFGE CCOc1cc(C=NNC(=O)C(=O)N[C@H](C)c2ccccc2)cc(I)c1O 1084458200 AMLXLEIIGHNSDO-GFCCVEGCSA-N 481.290 2.723 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(OC)c1 1860771231 NJVXZYJEQUXJRW-UONOGXRCSA-N 484.578 2.551 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771514 YXTFYXHIABNITP-QWHCGFSZSA-N 467.551 2.563 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)CCC12CCC2 2025396012 MTGGQIDCNKAHDE-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2029233023 OENGPZMBZBZGQF-HRCADAONSA-N 469.401 2.888 50 10 JFGE CN([C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106771098 FTOFVIIOCZGFPH-LSDHHAIUSA-N 454.431 2.858 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CCNC(=O)OC(C)(C)C 2106776580 JMMNIXFRHMWUKN-ZIAGYGMSSA-N 454.431 2.573 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179866824 NAOYMLOUPROJTG-SJLPKXTDSA-N 453.406 2.837 50 10 JFGE O=S(=O)(N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N1CCC[C@H](CCBr)C1 2188882236 DNZFCYMFDZGUOL-HSALFYBXSA-N 456.450 2.935 50 10 JFGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1O 2195479468 QLSZWUQGYGSNKR-GXSJLCMTSA-N 454.102 2.917 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])cc1 40657433 COWPAWSRSDYZDJ-UHFFFAOYSA-N 486.286 2.970 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(O)c(OC)c2)sc2c1CC[C@H](C)C2 254873737 PEZXPNOEWMOVEL-LBPRGKRZSA-N 459.524 2.853 50 10 JFGE Cc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1S(=O)(=O)NCC#N 731186766 SVLASVBPYOCWOL-UHFFFAOYSA-N 496.520 2.590 50 10 JFGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084433597 DXPULJWDKAHPTL-UHFFFAOYSA-N 488.544 2.830 50 10 JFGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=S)Nc2c(C)cccc2CC)s1 1587411311 QUWFOLYTZUWJSF-UHFFFAOYSA-N 452.627 2.644 50 10 JFGE C=C(CBr)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618540506 VJBAVLWHYVTOLK-IRXDYDNUSA-N 457.413 2.805 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1N(C)C 1860771527 ZJAIZNIVRDTBJI-UKRRQHHQSA-N 467.595 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 1892231252 LJFYNPKBCQPNFA-KRWDZBQOSA-N 495.395 2.572 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)CI)c1ccccc1 1983326828 FOWPYVOPVPSTTC-CYBMUJFWSA-N 454.330 2.954 50 10 JFGE C[C@H](Br)[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074730244 RJWNDZYUPHUQPL-GXFFZTMASA-N 485.322 2.943 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106777693 VYSWEUSGMYCGHS-UONOGXRCSA-N 454.431 2.668 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCS(C)(=O)=O)C1 2246102908 MCUZANQZCIFMFG-OAHLLOKOSA-N 461.362 2.642 50 10 JFGE CC1(C)OCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2267682537 GZSIYYCLPNUEIB-KRWDZBQOSA-N 487.416 2.657 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 2325216539 YGAKJSRCDFDCJQ-UHFFFAOYSA-N 489.941 2.909 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)C1CC(CBr)C1 2364335497 GSJZPUPDOCGVMS-UHFFFAOYSA-N 494.047 2.880 50 10 JFGE COc1ccccc1[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(C(C)=O)c2ccccc21 2432529 XRHFDTWTIOFGQB-QWXGXRTQSA-N 455.470 2.951 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610880 ZUWZMEZBYFHUDE-NHFJDJAPSA-N 474.517 2.827 50 10 JFGE C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCCN(Cc2cscn2)CC1 727473059 FRWQHPXPVOIKCT-AWEZNQCLSA-N 482.404 2.622 50 10 JFGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 750550817 CWDLSGRJURQMMW-QFIPXVFZSA-N 456.502 2.772 50 10 JFGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 1084156886 SKVBCQNSFJQSDG-UHFFFAOYSA-N 490.343 2.962 50 10 JFGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)Cc2ccc3ccccc3c2)CC1 1660791534 UVLYXJHOBZJCKK-UHFFFAOYSA-N 459.550 2.899 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccn1)CCC2 1772746743 GFMLBRISGMGSPC-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865845889 YDZLUAXJOVRLRH-UHFFFAOYSA-N 462.531 2.880 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 1946081343 LGBTYRODUXNWDE-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O 1993307472 ZIMZZNDUFMDQHR-ZDUSSCGKSA-N 467.654 2.673 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(Br)CC1)c1ccco1 2116241765 NQFUJPOQGZDJBE-CYBMUJFWSA-N 452.371 2.539 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179956177 LFLXKTURZAMTDV-SJORKVTESA-N 467.376 2.712 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2282802067 NBAUXTDQTSVMNV-YFKFIEJBSA-N 454.077 2.912 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](CBr)C1 2301116252 CKMNAAPLKZLNEM-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 2313624775 DFIOUZIJFYVINE-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE CC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325324394 MQAFLERDFNPNEL-UHFFFAOYSA-N 452.536 2.550 50 10 JFGE CCOCCOc1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 10216356 WXYUERJOFVMJRZ-UHFFFAOYSA-N 484.290 2.790 50 10 JFGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039674 IWUPOBRIFRISPA-UHFFFAOYSA-N 465.531 2.859 50 10 JFGE COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 41011909 KIAXFLLOBMVXHJ-LDADJPATSA-N 452.463 2.697 50 10 JFGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc(F)c1 59471829 WMPDVZXEYACFIZ-SZXQPVLSSA-N 456.433 2.603 50 10 JFGE C=CCOc1cc(Br)c(C(=O)NN/C=C2/SC(=S)NC2=O)cc1OCC 101568193 WYHBZJSYECXDJX-MDWZMJQESA-N 458.359 2.636 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 703966557 HLMUQSVCRQIAAD-VLIAUNLRSA-N 471.417 2.992 50 10 JFGE C[C@@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cc(F)ccc1N1CCC(O)CC1 730677686 LCXCEEFOMUEHIM-OAHLLOKOSA-N 453.518 2.984 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1ccc2ncccc2c1 1318332395 PDZAQFATLPDSJX-UHFFFAOYSA-N 451.284 2.961 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 2179863526 NQNKSZRAEHFLKX-WCIQWLHISA-N 456.450 2.790 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)[C@H]2C[C@H]2Br)C1 2242012669 RQHDOBCLVYCQFM-UONOGXRCSA-N 462.385 2.742 50 10 JFGE C=C(CS(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2247961111 BSIXMSKDHUQNRJ-UHFFFAOYSA-N 482.499 3.000 50 10 JFGE C[C@@]1(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC[C@H]1Br 2249886224 RGKOQPXTFHFJDJ-APWZRJJASA-N 457.390 2.936 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2269523974 AXTOVAZLRHDOSK-SANMLTNESA-N 486.377 2.936 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 2296732178 FALIPNKTKJLFOC-KDURUIRLSA-N 457.534 2.574 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100242300 YLGZHSGGWLRICW-SUMDDJOVSA-N 452.646 2.795 50 10 JFGE CCN1CC[C@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2007644813 ROXJQAVKHJAOLA-VXNVDRBHSA-N 451.149 2.608 50 10 JFGE CN1C[C@H](Br)[C@H](NC(=O)c2cc(I)ccc2Br)C1 2029861833 DIMQYBPMIDYCMU-WDEREUQCSA-N 487.961 2.861 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178088665 YVTCPVNCIIYAKM-SCRDCRAPSA-N 450.114 2.702 50 10 JFGE COc1cc(C=C(C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2297331695 LACKSQICQUNXPJ-UHFFFAOYSA-N 482.268 2.526 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13986584 JHNXKJCPIVZMKK-UHFFFAOYSA-N 473.623 2.759 50 10 JFGE COc1cc(/C(C)=N/NC(=O)c2ccccc2NC(=O)Cc2ccccc2)ccc1OCC(N)=O 20159268 YTGGSAIULIWVCV-STBIYBPSSA-N 474.517 2.895 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(Br)cc1Br 234587693 ITULAYLTOGVYEQ-VIFPVBQESA-N 490.917 2.918 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](O)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260512336 RHWCBISJDSDCRH-SFHVURJKSA-N 463.394 2.622 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)s4)c(=O)c23)C1 1860769871 JZNZUXQEIDOBFV-JTQLQIEISA-N 495.424 2.797 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924296836 MXLZSZKIHCMJBF-HRAATJIYSA-N 499.427 2.801 50 10 JFGE O=S(=O)(NCCOCCCI)c1sccc1Br 1997684320 UOTWBBCRVVZZHM-UHFFFAOYSA-N 454.149 2.631 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1Br 2000532132 HKKAKOILTZWOGK-MPGHIAIKSA-N 461.353 2.636 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299616 ZUULLUGIIATABE-UKRRQHHQSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2106594979 UTFKHMFEUPRWRU-AREMUKBSSA-N 453.403 2.531 50 10 JFGE Cc1sc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2248895000 OFGVDZYPMKGTKD-UHFFFAOYSA-N 478.379 2.590 50 10 JFGE ClC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2265015911 HCQNJBHDLLWZSF-MIMYLULJSA-N 459.509 2.660 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 705635797 CMQXSIQXPLLQBE-KGLIPLIRSA-N 457.390 2.886 50 10 JFGE CN(C)C[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 717354703 FPHWWYKXPMGHRB-SECBINFHSA-N 479.032 2.815 50 10 JFGE COC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1084141172 RXLNVENYPDZEJB-UHFFFAOYSA-N 461.474 2.906 50 10 JFGE CC#CCN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1637927998 FOEQLHURYCEFDN-WJDWOHSUSA-N 454.328 2.577 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(F)cc(F)c2F)cc1 1639623387 FECQIEOTQMMKRP-GOSISDBHSA-N 455.458 2.993 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Br)cc4)c(=O)c23)C1 1860770202 XWUFQMHWJNIOBK-LLVKDONJSA-N 475.368 2.807 50 10 JFGE CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106775107 UIWGHKSZLZUCGB-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@@H](CCl)C1 2108231662 ROBNNZOTOZCTOZ-YVEFUNNKSA-N 452.882 2.537 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1ccc(Cl)c(I)c1)N1CCOCC1 2283586278 YJMRIZATKQFHHL-LLVKDONJSA-N 450.125 2.887 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 2313624779 FBKRCRQPCLINJG-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 2313739203 DUFSQCBZSQCCJJ-UHFFFAOYSA-N 459.499 2.507 50 10 JFGE Cn1ncc(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2336538155 FAMNTONLTYBNJQ-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13978820 RVQHFKBJNONKIE-LLVKDONJSA-N 472.350 2.870 50 10 JFGE CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 17420182 IRWCGNVXHGOTEG-UHFFFAOYSA-N 456.499 2.666 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(OC)c1 254301362 GYORWSPAEPETCO-UHFFFAOYSA-N 462.514 2.674 50 10 JFGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2cccc(C(=O)O)c2)o1 254417000 NYEJLAPAHGAIEO-UHFFFAOYSA-N 471.433 2.777 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)C1 730937534 VYDFOFACBFJAEZ-HKJBKDEOSA-N 499.413 2.553 50 10 JFGE C#CCCCC(=O)NNC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1156701683 LHSDYKHQOZJQQB-UHFFFAOYSA-N 458.562 2.632 50 10 JFGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)[C@H](C)CO)ccc1Cl 1557202944 QSZGCUMIOGQNGX-CQSZACIVSA-N 455.939 2.818 50 10 JFGE CC1CC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1999811390 AEZFEDLYGHOKMI-UHFFFAOYSA-N 457.390 2.792 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@H](CCl)C1 2108231661 ROBNNZOTOZCTOZ-SJKOYZFVSA-N 452.882 2.537 50 10 JFGE O=C(NN=C1C(=O)Nc2ccccc21)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295829721 QEPSCJYJJOUHIT-UHFFFAOYSA-N 454.442 2.659 50 10 JFGE CSCC[C@@H](NC(=O)C(C#N)=CNc1ccc(I)cc1C)C(=O)O 2325027588 BZIDAKPAOOMFSF-CQSZACIVSA-N 459.309 2.742 50 10 JFGE O=C(COc1ccccc1)NNC(=O)COc1ccc(Br)cc1Br 12584313 JLSLHMLETUEISG-UHFFFAOYSA-N 458.106 2.817 50 10 JFGE Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59167426 ZEPSCOLNPHEXDY-OLFWJLLRSA-N 482.496 2.537 50 10 JFGE O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 59246538 LNWMLPZGAVAJMK-FOKLQQMPSA-N 476.327 2.539 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C)c(Cl)c2)c2ccccc21 1084538117 MYMUBNISVCEOHG-UHFFFAOYSA-N 456.930 2.763 50 10 JFGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1135308650 IPTRIDUNAIOEDV-ZDUSSCGKSA-N 457.911 2.509 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750162 WAZXGEXRBSAQHU-UHFFFAOYSA-N 490.516 2.664 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 2046027120 AINHFJRDJUCPFT-YJBOKZPZSA-N 473.364 2.590 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046029234 OZZWAXQOVBVOKT-ORAYPTAESA-N 475.380 2.694 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2048006509 VPBQBAWWMVOHHZ-ISWURRPUSA-N 469.401 2.648 50 10 JFGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1CC(=O)[C@@H](O)CCC)C(=O)OC3=O 2080454823 RVVQSAOUUWAZQS-CYFIPQBTSA-N 474.550 2.901 50 10 JFGE COC[C@@H](CN(C)S(=O)(=O)c1cc(CBr)sc1Br)OC 2179788546 DHJQKUVPKLTPIK-MRVPVSSYSA-N 451.202 2.687 50 10 JFGE OB(O)c1cc(Br)cnc1NCc1cc(Br)ccc1Br 2240339094 KVBPMUSRTXJPCH-UHFFFAOYSA-N 464.748 2.661 50 10 JFGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2C1=O 2313815234 CXAXMWVIGJHKCQ-KRWDZBQOSA-N 484.468 2.737 50 10 JFGE COC(=O)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2369419497 DZXUIKNRBUFILD-QMMMGPOBSA-N 469.966 2.971 50 10 JFGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13982129 MCQOCZQGYBETPV-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(O)c(Br)cc1Br 104124093 HVRYBWKLMSOMQF-JPIONSLASA-N 481.144 2.897 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\NCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217190367 CFRSSUHCRCUELB-LHBRDVBXSA-N 452.580 2.977 50 10 JFGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 726497123 CYYSPPRHACDVEC-UHFFFAOYSA-N 488.875 2.590 50 10 JFGE O=C(O)c1ccccc1C=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084046487 PRAKHRYUCIVDLX-UHFFFAOYSA-N 494.367 2.698 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744189 RTOHLUZYXLCAAV-UHFFFAOYSA-N 488.386 2.713 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771652 CJZFHQDOXOQMAD-CABCVRRESA-N 498.605 2.941 50 10 JFGE CCc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960913 HFVAFXVNHRJKRD-VLCRHTCISA-N 463.582 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2106989795 XTZLCRGZYHJPQK-SWLSCSKDSA-N 497.333 2.898 50 10 JFGE O=S(=O)(C[C@H](Cl)c1ccc(I)c(Cl)c1)N1CCOCC1 2145632137 FYBLTXIWRYOUEP-NSHDSACASA-N 450.125 2.887 50 10 JFGE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(CBr)cc1 2163051880 XPPCQSWYFPRILV-UHFFFAOYSA-N 463.394 2.838 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)Cc2ccccc2I)CC1 2169367074 UVFJFSZFUULMSZ-LBPRGKRZSA-N 451.146 2.761 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@@H]1c1ccccc1 2321944858 OQYLUXVZNBVZGS-QFIPXVFZSA-N 458.499 2.968 50 10 JFGE Cn1ncc(C(=O)N2CCC[C@H](Br)[C@@H]2C(F)(F)F)c1I 2370243324 NRIIQVZBVUVARD-JGVFFNPUSA-N 466.039 2.955 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 14027495 GFBZGHOILIHBBV-UHFFFAOYSA-N 470.334 2.885 50 10 JFGE COc1cccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2)c1 252622099 NOTGQWXOMXVDBE-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccccc2C(F)(F)F)nnn1-c1nonc1N 254287541 KIRHWAGCXLCRKH-UHFFFAOYSA-N 479.467 2.637 50 10 JFGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 743362636 GOKWSQLSDGFHOY-UHFFFAOYSA-N 490.608 2.869 50 10 JFGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1O 1084589202 BBLRXRKMOXCGAO-OAHLLOKOSA-N 454.264 2.969 50 10 JFGE COc1cc(OC)c(CCNC(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1 1321634293 IMJVIQVTBZLOJF-UHFFFAOYSA-N 452.305 2.662 50 10 JFGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2I)c1 1589718170 SXADBWCYWQGJKJ-UHFFFAOYSA-N 457.293 2.512 50 10 JFGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCCCN3CCOCC3)c(C)c21 1772744241 VAWZQKMNIIIVSL-UHFFFAOYSA-N 452.555 2.819 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746268 TYCZSFKTQQSOTC-UHFFFAOYSA-N 464.482 2.983 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852407 VJGJMBGJYYRFHX-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE Cc1c(CN2CCNCC2)cc(B(O)O)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887520869 IWFBOFFLXMPUAW-UHFFFAOYSA-N 485.393 2.749 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](Br)C1 2003384509 MAQVMEJNVBZSPK-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CCN1CCC[C@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2056495167 BAIXQLMHPKABNL-SCZZXKLOSA-N 465.176 2.998 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)c(Br)s1 2057674421 IBDHOQDQOLTFOT-NTSWFWBYSA-N 482.013 2.563 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2061794801 MQHCHHRHAZCVSE-UPRAQXHNSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2175048674 PVTGYWSWPYSIQE-HIFRSBDPSA-N 466.442 2.764 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2256596768 ARUYHELIRPKQCY-QGZVFWFLSA-N 470.334 2.573 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCCc2cccc(B(O)O)c21)Cc1ccccc1 2268679028 LICAHICSJQFUDG-UHFFFAOYSA-N 452.360 2.863 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296731365 RKGUIQYYNGPQQR-OALUTQOASA-N 457.534 2.840 50 10 JFGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296835020 NSAGGUGHVNFKTJ-CVEARBPZSA-N 450.501 2.860 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N3CCCc4ccccc43)CC2)cc1 2318469637 XBAVBNNJFLJJOM-UHFFFAOYSA-N 450.564 2.688 50 10 JFGE C[C@@]1(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2327694251 HXJIENSVXKGKPT-VYPVPOJWSA-N 469.401 2.934 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCc1nnc(CBr)s1 2338691823 WXNRVDDACDOPJX-UHFFFAOYSA-N 473.976 2.622 50 10 JFGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 2371131122 ILIVXDARAHJQHH-CABCVRRESA-N 465.454 2.906 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)c(C)c1 13976872 NMDGUJSOCHFOQE-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 14661526 DBEHYBKLQVTFEP-UHFFFAOYSA-N 476.327 2.898 50 10 JFGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCCc3ccccc3)cc2)cc1 725445948 DHBYZHGNFBAQGS-UHFFFAOYSA-N 458.518 2.822 50 10 JFGE O=C(COc1c(I)cc(Cl)c2cccnc12)NNC(=O)C1=COCCC1 730767687 IHAHPBYHCLSFLJ-UHFFFAOYSA-N 487.681 2.713 50 10 JFGE CC(=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1)c1ccc(Br)cc1 1084181672 INROHMYLMLBHQS-NSHDSACASA-N 468.381 2.687 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CCCCCl 1195545589 AJQUNZKZMNPNIO-UHFFFAOYSA-N 458.021 2.687 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cncn1-c1ccccc1 1618775439 OKRXGGLXHYUNAD-UHFFFAOYSA-N 457.284 2.677 50 10 JFGE CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638239 MITKGEVGRVUZFN-SFHVURJKSA-N 460.581 2.966 50 10 JFGE C[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877553645 DRUKWDNLRZSVFX-GFCCVEGCSA-N 456.977 2.724 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C[C@@H]1c1ccccc1 2007719380 IKMVTKVAFQJJPZ-ZIAGYGMSSA-N 466.341 2.701 50 10 JFGE C#CC[C@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084837568 IZJDSYMMVFOFFM-HXUWFJFHSA-N 469.401 2.797 50 10 JFGE Cc1cc(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2248397551 MGJIPWZVYUOSOM-INIZCTEOSA-N 478.379 2.622 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2301721082 WCGZSANYMYBXSA-JOCHJYFZSA-N 462.286 2.761 50 10 JFGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324209996 CPXKINQUSJONCV-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 16881446 PEPDASHBVUHLFR-QGOAFFKASA-N 466.501 2.617 50 10 JFGE C/C(=N\NC(=O)CC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c([N+](=O)[O-])c1 20395783 WTPZGCGLZWXOBK-HOFJZWJUSA-N 454.443 2.891 50 10 JFGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)CC1 40752615 PYVKGYVZFKCLPV-UHFFFAOYSA-N 453.330 2.902 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(Br)c(I)c2)[C@H]1Br 300886474 BKZCCHHCTFFXFL-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@H](CBr)C1 699524067 PRARHPDTIGWZSY-SNVBAGLBSA-N 491.043 2.911 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749112480 CDKCYUABLFBKHI-IBGZPJMESA-N 485.587 2.795 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1 1084634629 HHPXCGWCKMSMAQ-UHFFFAOYSA-N 480.546 2.692 50 10 JFGE C#C[C@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467769928 HFZBDFXEQVXSQK-HAZIXKIPSA-N 454.328 2.623 50 10 JFGE O=C(NC[C@H](Br)CBr)c1cc(I)sn1 1884452263 YMBIFMYFHCAEQL-SCSAIBSYSA-N 453.925 2.636 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108399238 KVFWJLDVSBSLLQ-FGTCXIJOSA-N 487.391 2.979 50 10 JFGE COCCOCCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CCBr)C1 2179952646 PBPCZPBTAHIXIE-LJQANCHMSA-N 463.438 2.893 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)CI)C[C@H]2CCCC[C@@H]21 2212718008 AWMFMXRHVXROIA-AGIUHOORSA-N 458.362 2.867 50 10 JFGE Cc1cc(B(O)O)ccc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248903864 UDYKBNVDINOWGF-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1O 2323652931 SKMSBUYYDIBRCG-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE CC[C@@]1(CBr)COCCN1C(=O)c1c(Br)c(Br)nn1C 2364231465 ZJVZTFQGDTVXRE-GFCCVEGCSA-N 473.991 2.961 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C[C@]1(CBr)CC1(F)F 2379980931 APIMBRGYHQLBBB-SJORKVTESA-N 452.340 2.608 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)Cc2ccccc2)c(Br)c1 13978591 XFKILMSOVSOORC-UHFFFAOYSA-N 450.358 2.655 50 10 JFGE O=C(NNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-])c1ccccc1Br 40658412 XOKMVTWWROWPMH-UHFFFAOYSA-N 455.232 2.638 50 10 JFGE CN1CCC(N(C)c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40659559 MVSLTTSMMCIYLD-UHFFFAOYSA-N 484.344 2.744 50 10 JFGE Cc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962294 SIDAAQPMKXOWFX-DLBZAZTESA-N 455.946 2.778 50 10 JFGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1O 2206484514 JICMJXOYABRVJO-CMPLNLGQSA-N 452.086 2.812 50 10 JFGE C[C@@H](CBr)CC1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2222871285 ZVUYJNKYFDMFRE-BFUOFWGJSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 2246475622 PZQONGPYBQXYQQ-LSDHHAIUSA-N 479.665 2.769 50 10 JFGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc([N+](=O)[O-])c1OCC 2323098319 UMWAEVNZUWQCAS-UHFFFAOYSA-N 453.455 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OCC[C@]2(CCl)C1 2364190559 OFDBHBDSCPHLHB-NQIIRXRSSA-N 454.976 2.503 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(Cl)cc1 9696142 GFNVOYWHMMSKFU-UHFFFAOYSA-N 456.749 2.989 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 9826131 JTXKPWRFWKCLQG-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 12570094 LJHZJUKYZYGGNO-ZDUSSCGKSA-N 497.404 2.879 50 10 JFGE CC(C)(C)Oc1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891772 BWAMIAPWDMKEJI-SUVVMJBMSA-N 453.524 2.619 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 703980090 VBOPQWRTQUNLLG-MRXNPFEDSA-N 465.369 2.598 50 10 JFGE O=C(NCCCNC(=O)c1cccc(Br)c1)NNC(=O)c1ccc(Cl)cc1 726259800 HKSOYFWEEVYGEH-UHFFFAOYSA-N 453.724 2.867 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 730935750 HBIOIZMARBADGG-BAOGCXAUSA-N 462.554 2.846 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729545 UCMDWZXOKLYXDF-UHFFFAOYSA-N 492.399 2.935 50 10 JFGE O=C(Cc1c(F)cccc1F)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771292 PHPPTTDWASPFOH-UHFFFAOYSA-N 454.458 2.793 50 10 JFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852291 RPBLSWPRPWWACR-GFCCVEGCSA-N 495.590 2.581 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1873781606 DNGBLIVZEHWNQC-UMSHPIDHSA-N 462.937 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)CC1CC1 1942097021 FREILNCVMJOWDQ-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE C[C@H]1CN(S(=O)(=O)c2cnn(CCCBr)c2)[C@H](C)CN1Cc1ccccc1 2179786821 GPCQWXQKMLUUID-DLBZAZTESA-N 455.422 2.952 50 10 JFGE CC[C@H]1CN(c2ncc(Br)cc2B(O)O)[C@@H](CC)CN1C(=O)OCc1ccccc1 2240334369 VVAXPVBHBBLYMG-ROUUACIJSA-N 476.180 2.540 50 10 JFGE C[C@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2307515217 SCMMJPZZSPHKKZ-FKPWOLHESA-N 455.374 2.544 50 10 JFGE COc1cc2c(C=NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)O)n(C)c2cc1OC 2321721555 IGNNBGMREJIASS-CQSZACIVSA-N 488.541 2.991 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1ccc(Br)cc1Br 2335778494 XCYBGVAAVAKMDX-UHFFFAOYSA-N 478.000 2.751 50 10 JFGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@](C)(B(O)O)C2)c1 2342477985 QPYRKKOBUFSMTM-QGZVFWFLSA-N 474.104 2.717 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1O)CCC2 101619419 BYCDFWJOWXVQCO-YZSQISJMSA-N 476.489 2.847 50 10 JFGE O=C(O)COc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254394634 HWKVRYLHDCKHQU-UHFFFAOYSA-N 453.476 2.715 50 10 JFGE CCOP(=O)(CC(=O)NN=Cc1ccc(OC)c(Cn2cc([N+](=O)[O-])cn2)c1)OCC 254753229 XICGSQZXCRERSH-UHFFFAOYSA-N 453.392 2.564 50 10 JFGE O=C(NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C1=COCCC1 730768555 BOHWWRRSDNPWFD-UHFFFAOYSA-N 480.340 2.705 50 10 JFGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084592700 XCKAAQAGTKUAOX-UHFFFAOYSA-N 450.904 2.799 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1C 1860770559 NLFZTCPFHFMBCA-UHFFFAOYSA-N 468.560 2.752 50 10 JFGE O=S(=O)(NC[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2097824519 OIOXUGFAGUMJNS-XCBNKYQSSA-N 478.000 2.900 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2268602205 HANLIKQMSSZLNZ-SANMLTNESA-N 484.361 2.819 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2301663218 XTJNXMLVLCRZNV-JOCHJYFZSA-N 462.286 2.761 50 10 JFGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 2325282195 BAQMTGRODGZPPV-UHFFFAOYSA-N 457.550 2.871 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br 14662132 WAFNHEJUNOPPSZ-UHFFFAOYSA-N 458.378 2.690 50 10 JFGE CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 58991464 RQRJEQUOBSPKLM-CASIMXJUSA-N 482.482 2.773 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3cccc(C)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(C)c1 252669243 GYNYVDWGQTUAOQ-OAQYLSRUSA-N 457.555 2.518 50 10 JFGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 254301392 JHQXYGIATOPEIN-KOIMJKBASA-N 456.524 2.947 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851439 BRCKUJGWKHMWNE-CVEARBPZSA-N 496.589 2.935 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865852211 PCYVSDANAQPDHD-CABCVRRESA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 1949617650 BNNGAKKVEDMNNN-CQSZACIVSA-N 455.374 2.642 50 10 JFGE C=CC[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023598275 BFTJTGBLFHLPDT-FZKQIMNGSA-N 461.353 2.517 50 10 JFGE CN(C[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(=O)OC(C)(C)C 2106775989 CMKIKVQYCIJZEF-CQSZACIVSA-N 454.431 2.669 50 10 JFGE CO[C@@H]1CN(C(=O)c2cccc(I)c2)[C@@H](CBr)[C@H]1OC 2233352624 FEIZALIVIMUPHU-YNEHKIRRSA-N 454.102 2.541 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(CCl)CCCOC1 2364194963 LKGMRHXGWYCQSY-OAQYLSRUSA-N 456.992 2.798 50 10 JFGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 110784969 GFWBYCFADYKIFB-UHFFFAOYSA-N 459.354 2.920 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@H](N)C(=O)O)/C(=C/C(=O)O)C1 504243377 BHQAMABUPJQDIU-XUFDUCDPSA-N 489.015 2.823 50 10 JFGE in-vitro O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCC[C@@H](CBr)C1 703972570 FJFMPNWEOMHDSO-HUUCEWRRSA-N 457.390 2.793 50 10 JFGE COc1cc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc(OC)c1OC 727292604 DQSDNFRRZUPQAN-UHFFFAOYSA-N 470.551 3.000 50 10 JFGE Cn1cccc1/C=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 1615016768 HVVKACFXIYXKCX-RDICMLQMSA-N 459.543 2.720 50 10 JFGE CCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 1860406152 MAYITFUDWYWZNN-UHFFFAOYSA-N 458.290 2.769 50 10 JFGE CC(C)Oc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770115 UILKSHATUHRAPL-AWEZNQCLSA-N 454.552 2.831 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4)c(=O)c23)C1 1865851983 MDMWEHKKMGTXBK-QWHCGFSZSA-N 474.970 2.851 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Br 1924796262 ICUILUMTQZZAPC-XJKSGUPXSA-N 455.374 2.546 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 1944612315 CKTNCCZQCXNVKE-MRXNPFEDSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2006465409 BQZFECYPUHNROY-GASCZTMLSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2163052288 BWLNKZJGBGLHTQ-HUUCEWRRSA-N 466.442 2.669 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248892137 HHKDAWNHWVSICN-FQEVSTJZSA-N 479.367 2.715 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2269552796 XSRXCYAGSSEBDS-AREMUKBSSA-N 486.377 2.936 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 2313860793 PFMVAXQGADGNQC-UHFFFAOYSA-N 462.915 2.979 50 10 JFGE COC[C@@](C)(CBr)CNC(=O)c1c(Br)c(Br)nn1C 2338860602 KESXPXHHVUWLDC-NSHDSACASA-N 461.980 2.723 50 10 JFGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660716 VUUAONAUOVHKLD-INIZCTEOSA-N 459.568 2.940 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1 100449599 BBVZDECMGODNLS-UHFFFAOYSA-N 451.264 2.961 50 10 JFGE CCCn1nc(C(=O)NNC(=O)c2ccc[nH]/c2=N/c2cccc(F)c2)c2ccccc2c1=O 107921278 UGAQSJRWKCIUGR-UHFFFAOYSA-N 460.469 2.581 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)c1CN1CCc2ccccc21 254754579 MZTHWRODEZCYGW-UHFFFAOYSA-N 497.441 2.578 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084589407 QTTUDAVSQYNFLG-UHFFFAOYSA-N 488.917 2.756 50 10 JFGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)Nc2ccc(C)cc2Cl)CC1 1630710798 XOSNWIZDMCVSLY-UHFFFAOYSA-N 458.950 2.853 50 10 JFGE CC(C)[C@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002412714 IVODXIMTKULIQO-QAPCUYQASA-N 463.369 2.692 50 10 JFGE CC(C)(C)[C@]1(O[Si](C)(C)C)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@@H](O[Si](C)(C)C)[C@@]231 2060394442 JOLOPTLRBSAWFO-OPVXGCNISA-N 470.667 2.975 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)cc(Br)c1 2121337870 PFSBRFNUBWRISV-UWVGGRQHSA-N 475.984 2.502 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2133824587 GTIAXWXELHMTLO-IFXJQAMLSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNS(=O)(=O)N2CCC(Br)CC2)CC1 2163272824 PSXFXZIOHLRXAL-HNNXBMFYSA-N 472.421 2.665 50 10 JFGE O=S(=O)(c1ccccc1CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179822906 BWMDCYSBJCIHFT-OALUTQOASA-N 451.386 2.855 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](C(F)(F)F)C1 2186682260 IMCMCJKWNIUQJB-GFCCVEGCSA-N 480.347 2.574 50 10 JFGE CO[C@@H]1[C@H](OC)CN(C(=O)c2ccc(I)cc2)[C@H]1CBr 2233354017 IKMCAJBMTNEFHA-XQQFMLRXSA-N 454.102 2.541 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 13997543 WDVTVPNOXHHGRV-UHFFFAOYSA-N 488.404 2.707 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14012719 CKWMQAVNPWNTFI-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016335 PSJIUMNIRJTKJD-UHFFFAOYSA-N 457.552 2.677 50 10 JFGE CCCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 19651376 PVHKLTJTXQREEI-HZZGJGATSA-N 469.567 2.926 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Cl)cc4)c3N)CC2)cc1 40727821 SWWJMSFORKGEJZ-UHFFFAOYSA-N 453.934 2.804 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815076 ZXEBVOKBACJCDO-XIEYBQDHSA-N 484.509 2.821 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccco2)cc1 725434504 MXOTUHDBDTZSGK-UHFFFAOYSA-N 468.535 2.622 50 10 JFGE O=C(Cn1ncc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 730515377 VJPOLUVJJMFALU-UHFFFAOYSA-N 483.937 2.952 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 1644837819 AXTDDAODXVGUMI-HNNXBMFYSA-N 454.556 2.747 50 10 JFGE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1866803588 RRWXSHRPMRDCSL-GOSISDBHSA-N 491.591 2.974 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2050618578 MUIHCFZUBCPMOQ-ACJLOTCBSA-N 473.364 2.733 50 10 JFGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2106594980 UTFKHMFEUPRWRU-SANMLTNESA-N 453.403 2.531 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2Br)cc1Br 2146526269 UXDHMZLMQCYKLB-GHMZBOCLSA-N 491.043 2.876 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2243679338 WQVQCUWHAQRZPG-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2296545964 DHSTWPFQIOMFSB-FQEVSTJZSA-N 462.531 2.758 50 10 JFGE CN(Cc1ccccc1)S(=O)(=O)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccccc1 916824269 BIXPHXJNJRSXTP-RCCKNPSSSA-N 474.546 2.864 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771611 BCMWKPXXQKUONF-AWEZNQCLSA-N 452.536 2.708 50 10 JFGE Cc1nc(I)c(NC(=O)[C@H]2C[C@H]2Cl)c(I)n1 1991674434 DRDIKDZNNQENNT-CRCLSJGQSA-N 463.444 2.560 50 10 JFGE O=S(=O)(c1ccc(CBr)cc1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2153994697 OFVNLGINHNITOJ-VQTJNVASSA-N 451.386 2.855 50 10 JFGE CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1cnn(CCCBr)c1 2179791643 UJBPRGMEBFLZAB-UHFFFAOYSA-N 452.378 2.734 50 10 JFGE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)c2ccc(CBr)cc2)n[nH]1 2183124385 JFZUJNYMBPDLKA-UHFFFAOYSA-N 460.354 2.568 50 10 JFGE Cc1csc(CN(C)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248887506 SHJAINMUAFVEGG-UHFFFAOYSA-N 478.379 2.624 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@@H]1CN(S(=O)(=O)CI)C2 2303898502 QSFBWNTYHDAQSF-MFKMUULPSA-N 480.315 2.723 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)c1 10276080 MGYONNOUYDEDOH-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 13976729 GRZKKFAFEQYLSP-UHFFFAOYSA-N 461.887 2.546 50 10 JFGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660713 VUUAONAUOVHKLD-MRXNPFEDSA-N 459.568 2.940 50 10 JFGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40587671 BBPJFTOHPUVKIY-UHFFFAOYSA-N 454.355 2.629 50 10 JFGE COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 101135583 OMNMCKDBCSUSMX-UYRXBGFRSA-N 466.519 2.939 50 10 JFGE COc1cc(C=NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OC)c1OC 252599442 DJBUJTVNZFBVPB-CQSZACIVSA-N 476.327 2.978 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC[C@@H]1CBr 703972449 DEWSLQKAUUDELI-HUUCEWRRSA-N 457.390 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCC[C@H](CBr)C1 703972573 FJFMPNWEOMHDSO-LSDHHAIUSA-N 457.390 2.793 50 10 JFGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3cccc(OC)c3OC)CC2)c1 1083871235 KVJMGHCYVDXAQF-UHFFFAOYSA-N 455.511 2.724 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)C12CC3CC(CC(C3)C1)C2 1084227480 UMVAXAKIOWDQHN-UHFFFAOYSA-N 459.498 2.611 50 10 JFGE C[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2000539595 BDWRXDJPRPKLDN-KZULUSFZSA-N 463.369 2.740 50 10 JFGE C[C@H](Br)[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2019069151 XGLZYHULAPEDNU-GXFFZTMASA-N 471.295 2.697 50 10 JFGE CC[C@@H](C)[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023043463 IMVAMICPLUCKPI-DWQUBVKVSA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1 2106778762 HCHYSMGFJHWLPJ-HUUCEWRRSA-N 452.415 2.564 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2164488304 VORRVUWFGFILQH-KHIZAZIESA-N 470.872 2.690 50 10 JFGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1cc(I)cc2c1OCC2 2174594686 QJMLTOIQEHPYLL-LOWDOPEQSA-N 469.138 2.953 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186712019 SQQCROZFBQGVOV-INIZCTEOSA-N 470.355 2.839 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2COC[C@@]2(CBr)C1 2234579180 IPVCFJUTXOGHOU-YMTOWFKASA-N 454.077 2.914 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2248396911 GKGFCKCTUXPGTG-HOTGVXAUSA-N 478.379 2.875 50 10 JFGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 2325384819 UFFDESBDSVMJKA-OAHLLOKOSA-N 478.924 2.755 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2338853179 VVGRJACYIRFNJB-MAUKXSAKSA-N 487.416 2.562 50 10 JFGE O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccccc1I 12500737 BUIGHMBMRFVUQG-ZHACJKMWSA-N 451.289 2.640 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccccc1Br 12500913 NJFGFLHEEOZGBH-UHFFFAOYSA-N 487.173 2.926 50 10 JFGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14032372 REQNTQJVZTUZSS-UHFFFAOYSA-N 456.568 2.598 50 10 JFGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCN3CCCS3(=O)=O)c2C)cc1 725761156 NQNKFLUUZKJZBL-PGMHBOJBSA-N 470.595 2.942 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC2CCN(CC(C)C)CC2)cc1 742393460 CECCWXQMGWGSGT-XSFVSMFZSA-N 478.597 2.578 50 10 JFGE COc1cc(C=NNc2nc(SCC(=O)NNc3ccc(F)cc3)n[nH]2)cc(OC)c1OC 1084144973 GIGMVJXPAYMYLZ-UHFFFAOYSA-N 475.506 2.651 50 10 JFGE COc1ccc(C(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)cc1I 1084301119 HRPJHLICLORBMG-UHFFFAOYSA-N 468.247 2.998 50 10 JFGE CC(=O)CCCC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1624296593 VECIDJJXFBVNME-UHFFFAOYSA-N 450.583 2.690 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865852247 QIXMGIJKXBLQAW-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE C[C@@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099956 YIZVWPUSUHSGLY-IBGZPJMESA-N 457.390 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CC(CBr)(C1)C2 1945962148 SJLWVBGNXXZQLF-UHFFFAOYSA-N 455.374 2.546 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCC1 2046028533 JCYNLDGBOXEHNV-SFHVURJKSA-N 475.380 2.886 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)CC1 2046031549 GBPGPVYBWTWSRP-AUUYWEPGSA-N 475.380 2.838 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Br)cc1Br 2121335837 CPPPXTSKAPWSTJ-UWVGGRQHSA-N 475.984 2.502 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867837 BCCHNVLSEIMBQK-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]1C1CC1 2198269079 DNJKANCMESTUKG-HOTGVXAUSA-N 466.442 2.858 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@H](CCCBr)C1 2213601772 JIWHVWCXANIXTJ-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE CN(Cc1cc(B(O)O)cs1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248904716 XPLUYDRWMBXVAT-UHFFFAOYSA-N 478.379 2.705 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2290219163 CAVPFZVXVGZESA-GOEBONIOSA-N 466.442 2.812 50 10 JFGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2296848596 JDKZGPSWUUHHBP-UHFFFAOYSA-N 461.547 2.999 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CN=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 2297471390 OCDNWTMMEJMLCF-FCHUYYIVSA-N 496.614 2.536 50 10 JFGE C[C@@H](CC(=O)NN)Oc1c(I)cc(Cl)cc1I 2300926243 KELUVAOIFCHZQE-YFKPBYRVSA-N 480.471 2.697 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@H]1CBr 2301116328 DJGDLPRVVWWXBF-GJZGRUSLSA-N 457.390 2.793 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 13979275 UWWLTJDEPGUWLO-LLVKDONJSA-N 472.350 2.870 50 10 JFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccn2)CC1 40795536 UHKUYUVVNNSYKK-UHFFFAOYSA-N 489.367 2.609 50 10 JFGE C[C@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703975231 VTERMFFWXCNTTB-IFXJQAMLSA-N 457.390 2.936 50 10 JFGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084069301 NETSTHMBCQETRH-UHFFFAOYSA-N 481.512 2.530 50 10 JFGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc(F)c1 1084110730 WMPDVZXEYACFIZ-UHFFFAOYSA-N 456.433 2.603 50 10 JFGE COc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc(OC)c1OC 1084409579 BLWQGTZWRPVXFQ-UHFFFAOYSA-N 497.573 2.881 50 10 JFGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(F)cc1 1084627943 CKJKNXULYXUNKE-UHFFFAOYSA-N 456.433 2.603 50 10 JFGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 1654346797 DEBQAZNSCYXJIP-ZDUSSCGKSA-N 454.412 2.938 50 10 JFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)cc1 1772747476 CFXPLJPZFRSCBO-UHFFFAOYSA-N 480.546 2.990 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccccc1Cl 1860770279 BBGKCUSCSZBCFX-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@@H]1CBr 1942095813 WCOBHWMMUHPLME-HUUCEWRRSA-N 457.390 2.793 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)[C@@H]2CCCC[C@H]21 1984447921 PSJUKPBKAWNDHT-RWMBFGLXSA-N 458.362 2.724 50 10 JFGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025961 NEDBMLCXLXEIRW-AXHNFQJDSA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)C[C@]2(CBr)C1 2046800478 BFCOIDDEGATSOS-UXHICEINSA-N 469.401 2.746 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCN(S(=O)(=O)N3CCC(Br)CC3)CC2)C1 2163052861 IEYHWDHLZFPVPQ-UHFFFAOYSA-N 466.442 2.814 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)CI)C[C@H]2CCCC[C@H]21 2212718009 AWMFMXRHVXROIA-FRRDWIJNSA-N 458.362 2.867 50 10 JFGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1OC 2295902661 IQCRZROYDSTMEV-UHFFFAOYSA-N 484.512 2.972 50 10 JFGE CCOc1c(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cccc1OC 2323172513 HOAQZHQFEZUTIL-KRWDZBQOSA-N 455.496 2.674 50 10 JFGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 2323648392 XSHZFWFJRXQWDX-UHFFFAOYSA-N 450.451 2.894 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2364214633 OLDUPMPPSAPHJL-ATZDWAIDSA-N 499.427 2.800 50 10 JFGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 8825509 UXRLDGOKXBHBRF-FOWTUZBSSA-N 482.345 2.954 50 10 JFGE COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 33396684 FCKKXCYQLIHNRR-QPEQYQDCSA-N 498.298 2.768 50 10 JFGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990567 ZVLHZYYTNPDCHO-CAPFRKAQSA-N 492.557 2.685 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 59384203 CCAJONMXZFZHMC-UQQIOGDDSA-N 453.568 2.713 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 207177229 IQXPFGWOEMOTSU-WQRHYEAKSA-N 451.435 2.897 50 10 JFGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 217250112 UFFDESBDSVMJKA-HVCHUGMYSA-N 478.924 2.755 50 10 JFGE COc1cc(C=NNC(=O)c2ccncc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 254413505 STPSXZSDDYVHQF-UHFFFAOYSA-N 456.436 2.530 50 10 JFGE COc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254844999 IPNNDSXISWBMEC-UHFFFAOYSA-N 494.435 2.842 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)ccc2O)n1)NNC(=O)c1ccc(Cl)cc1 1084209988 PYCRKCJJHMTANV-UHFFFAOYSA-N 480.337 2.816 50 10 JFGE C#C[C@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1156824672 LNZGLGRBOSXOML-QWSHFYNQSA-N 454.328 2.623 50 10 JFGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1 1633600469 XWQGXVXEZTVQNR-UHFFFAOYSA-N 455.290 2.579 50 10 JFGE C[C@H](Br)C[C@H](C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531333 AKNYFNVDXUBCJV-ZJNRKIDTSA-N 463.369 2.740 50 10 JFGE CCC[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2008112571 FYRSXNJKSQZLIC-SCLBCKFNSA-N 463.369 2.741 50 10 JFGE C[C@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162591117 IBCIEMUWYXVFHT-DRPJVOAASA-N 466.442 2.857 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508851 GSQSZBHATHTKII-RTBURBONSA-N 454.390 2.574 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1OC 2313617114 FZWCOJIEWSZMMB-UHFFFAOYSA-N 494.367 2.580 50 10 JFGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 10295458 GTPDCPIMGLNPEI-MRXNPFEDSA-N 456.568 2.596 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1 14662632 FTLFPCBDRKKEDE-UHFFFAOYSA-N 453.289 2.566 50 10 JFGE CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)OCC(=O)/C(C#N)=C(\C)N)cc1 23864812 MDHRYZSYHTVZQR-NTCAYCPXSA-N 465.482 2.917 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39919014 UTTOTFGIIRKJRL-MUUNZHRXSA-N 499.546 2.777 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)cc1 101619434 KVESNAACTCGRCZ-NLRVBDNBSA-N 476.489 2.847 50 10 JFGE O=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(CBr)cc1 390524206 WUKAMPQRMWJGQY-UHFFFAOYSA-N 452.418 2.678 50 10 JFGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1 1084533695 APTXIVFUERZHGJ-OAHLLOKOSA-N 469.235 2.869 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CCC1 1942089108 OKAHELWGEIFVTJ-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 1942095075 MVLKFHPPPHUKRQ-INIZCTEOSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Br)CC1 2000540813 QODUGUCUHPQZJG-UGSOOPFHSA-N 461.353 2.590 50 10 JFGE O=C(CN1CCN(CC=Cc2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 2040442420 VLNZQGLLSOALQL-UHFFFAOYSA-N 457.372 2.541 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2044854468 SBOHMHFIUZKALP-FZMZJTMJSA-N 483.306 2.508 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@]2(CBr)C1 2078144382 UUJGKXYJIYCINV-VLIAUNLRSA-N 469.401 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@@H](CBr)CO1 2338851219 XWSGPPYNCHYOMA-HOTGVXAUSA-N 487.416 2.562 50 10 JFGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)C1 2371131123 ILIVXDARAHJQHH-GJZGRUSLSA-N 465.454 2.906 50 10 JFGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630244 UOFMQNCFVUTCQB-QGZVFWFLSA-N 486.594 2.923 50 10 JFGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40658088 VFSAKDDVFIYSSZ-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCCCl)cc3)CC2)cc1 110524474 DXGPYGKEIJNKAH-UHFFFAOYSA-N 457.017 2.862 50 10 JFGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 206639986 YLAGERDRBCMWFD-GHXNOFRVSA-N 450.476 2.862 50 10 JFGE COc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254847922 DWJCHGDOUBLXLK-UHFFFAOYSA-N 464.511 2.687 50 10 JFGE Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)C1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 1088677872 SEBSORFJHJFOPK-FFZOFVMBSA-N 479.606 2.962 50 10 JFGE CCCCN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1772719743 RNMUXPZJBSORKQ-UHFFFAOYSA-N 451.483 2.772 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)CC1 1772746588 XRPNTCULMHGWAE-UHFFFAOYSA-N 453.499 2.744 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770796 XKEYKIIBELXOCE-UHFFFAOYSA-N 468.560 2.752 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC(CBr)C2)C1 2066494419 UNYKRBKMVLPPQZ-UHFFFAOYSA-N 469.401 2.746 50 10 JFGE CN([C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106782880 UWZJHCUZBFGSBG-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 2108228574 AZNBQRKBNQEEQB-PXAZEXFGSA-N 497.333 2.693 50 10 JFGE CN(Cc1ccccc1B(O)O)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257387529 OMUWDBSXEKTZBD-UHFFFAOYSA-N 472.350 2.642 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2356241058 ALNZDFOMNZKFNM-IYWMVGAKSA-N 457.434 2.855 50 10 JFGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1 48573899 FTHQEJCPEYMKSX-JFLMPSFJSA-N 461.474 2.803 50 10 JFGE COc1ccc(S(=O)(=O)Nc2ccccc2)cc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 101112688 RTKSDIHILUILGQ-AQTBWJFISA-N 452.492 2.630 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CC1 707409436 KKMQSWOPJMCZKD-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751604 HGECQDBRYFNFMP-UHFFFAOYSA-N 460.490 2.768 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1[N+](=O)[O-] 1860771518 ZAUDRCSPVYYNKE-RYUDHWBXSA-N 485.522 2.522 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 1942090684 YIFAAJDDAXJFEU-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H](C2CC2)C1 2030220339 UGCPMOFLWXMFLA-IRXDYDNUSA-N 469.401 2.744 50 10 JFGE CN(C1(CCBr)CCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2085068853 NYKBYZBBWLPUIZ-SFHVURJKSA-N 475.380 2.980 50 10 JFGE CN1C[C@H](Br)[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2086145187 JUHSROYHDSZILW-ONGXEEELSA-N 487.961 2.861 50 10 JFGE CC1(CNC(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106768802 TUPFMOHZNIEBMD-UHFFFAOYSA-N 454.431 2.717 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179829304 ZOWSDVRJSHJIQH-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE CN(Cc1csc(B(O)O)c1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248899816 PAMBXGDSMYWUCC-UHFFFAOYSA-N 478.379 2.704 50 10 JFGE COCCN(C=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 2325141318 SWYMGLOKUSSBEC-FQEVSTJZSA-N 455.536 2.960 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCc2ccccc2)c(Br)c1 12570970 CEMPNEZSZLVNTI-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 13976776 TVIPMBDVJNAQFE-UHFFFAOYSA-N 456.568 2.685 50 10 JFGE O=C(NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-])c1ccccc1Br 40622710 OVZYDPOVHCHJAE-UHFFFAOYSA-N 464.324 2.802 50 10 JFGE CCCc1c(C(=O)NN=C(C)c2ccc(OCc3ccccc3)c(OC)c2)nnn1-c1nonc1N 254833094 HNDPYFFCIGXBJS-UHFFFAOYSA-N 490.524 2.927 50 10 JFGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2052375229 QWIWNKTTZAGSKS-LPMFXHHGSA-N 475.380 2.836 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106298469 NKSIQRQOGXJNNM-AWEZNQCLSA-N 454.431 2.717 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 2108231055 MZVKBLDXHSDKEK-YYQBIWNASA-N 487.391 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2163289311 MJGORYLPNIVJSV-WFASDCNBSA-N 466.909 2.988 50 10 JFGE CC(C)(C)OC(=O)NCC1CC2(C1)CC(NS(=O)(=O)N1CCC(Br)CC1)C2 2164523451 JEEIPIBOBPKKBA-UHFFFAOYSA-N 466.442 2.764 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248900914 HHKDAWNHWVSICN-FQEVSTJZSA-N 479.367 2.715 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](F)C[C@@H](Br)C1 2316821132 BQXGEVFGLIHEDC-HUUCEWRRSA-N 475.380 2.980 50 10 JFGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cccc(B(O)O)c1 2319280938 RIMMKKDKYHPBLH-QGZVFWFLSA-N 470.334 2.615 50 10 JFGE NNC(=O)c1nc(COCc2cc(I)ccc2Br)cs1 2367279832 NFTJVLVZMGXGAE-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)c1 10276055 BCEDHHUWSSVGQF-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE COc1cc(C=NNC(=O)CNC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cccs1 252623924 PCIPWJUDQYAUGB-UHFFFAOYSA-N 495.513 2.627 50 10 JFGE CC(C)[C@@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310757949 XSEDNWLWJZAPBM-SECBINFHSA-N 494.498 2.943 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 916761446 JMNIXRFQINVDGN-HNLWVNFGSA-N 455.536 2.899 50 10 JFGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(C)c1C 1084388000 UUMQFSJHGLICSC-UHFFFAOYSA-N 452.588 2.977 50 10 JFGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1636098261 DUKKJTGSMXVLLA-FQEVSTJZSA-N 456.568 2.603 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744839 KYAPRHTZAUFULX-UHFFFAOYSA-N 450.451 2.740 50 10 JFGE N#CSc1ccc(NC(=O)CNC(=O)C[C@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1868165432 PPDQQIKTBJJEKW-MRXNPFEDSA-N 486.355 2.812 50 10 JFGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CBr)CCN(Cc2ccccc2)CC1 1887076805 VZERRKFFJURBMR-UHFFFAOYSA-N 476.437 2.818 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2000982062 ZGQZBXCZCWIDFU-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2012361115 FHZYWCGQHQOWNE-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2068352931 ADCSHOIAHLTNHT-AUJRIZCKSA-N 469.401 2.792 50 10 JFGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Br)c1O 2297551857 VRIHYSJJGIZNEL-UHFFFAOYSA-N 466.313 2.746 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500720 YDRLLAKYVNRUHM-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14034441 AYVSKOYENBSULP-UHFFFAOYSA-N 460.512 2.734 50 10 JFGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)COc4ccccc4)c3[N+](=O)[O-])CC2)c1C 54520689 VOJYQFDMPNYPAM-UHFFFAOYSA-N 477.525 2.850 50 10 JFGE CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217199342 GZJRGINZTKMJFT-ODXGNSPJSA-N 452.580 2.840 50 10 JFGE COOC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@@H]43 606575511 VZNKQKIVYCSTMY-CCQWIXIKSA-N 456.495 2.751 50 10 JFGE Cc1cc(CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 728959798 QBEWAZJIKSMQBP-UHFFFAOYSA-N 461.570 2.674 50 10 JFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)NN=Cc1ccncc1 1084220314 ABROAUUPACKGQY-UHFFFAOYSA-N 490.607 2.774 50 10 JFGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1O 1084589201 BBLRXRKMOXCGAO-HNNXBMFYSA-N 454.264 2.969 50 10 JFGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 1669545587 VTZVDULBWVXMFM-UHFFFAOYSA-N 453.430 2.712 50 10 JFGE C[C@@H](C(=O)NNC(=O)COc1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860772248 WNVIFOWNIQNYBG-LBPRGKRZSA-N 460.943 2.778 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1sc(Cl)cc1B(O)O 1902974092 NPSZSTZAPQZNFX-UHFFFAOYSA-N 484.770 2.626 50 10 JFGE C[C@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942088117 JVNNIEJBBPNOBD-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2016017927 JSJMVHYUHAQYAZ-YESZJQIVSA-N 455.374 2.640 50 10 JFGE CCN(C(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 2297425637 UDWSAHJOJIXROL-RXVVDRJESA-N 463.600 2.635 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2306890016 JSFADBYQRVYXAS-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE Cn1c(C(C#N)=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)nc2ccccc21 2314435428 BICGAQQUOHRUBY-UHFFFAOYSA-N 468.517 2.989 50 10 JFGE COc1cc([N+](=O)[O-])c(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1O 169920814 HCULGFHWLPHOMK-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 746184003 CWSDVTXEUCONOW-UHFFFAOYSA-N 460.508 2.882 50 10 JFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 1084600480 ONMKITAEPRLKSI-UHFFFAOYSA-N 495.557 2.892 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 1918925820 BJVPZRYTVDXGTQ-APWZRJJASA-N 455.374 2.642 50 10 JFGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002033949 BZWZGRUVFNWOIC-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 2030217728 FLZMSMXOYFYNGD-QZTJIDSGSA-N 469.401 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(Br)CC1 2046030367 XSLGANSZPQZOJP-MHVYXZCWSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2070539120 PSUSQWVTKNPESH-OSMBCOQSSA-N 473.364 2.731 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2106295076 CWLIBHYQYRXUNB-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE CN(CCN(CC(F)(F)F)S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2163059208 RGTVYXWALBJBPL-UHFFFAOYSA-N 482.363 2.822 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179827485 FXOCRGQQZGQXMN-ZGXWSNOMSA-N 457.434 2.855 50 10 JFGE C=CC[C@@]1(CBr)CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2250466040 ZNUXODKNQXXXOR-IBGZPJMESA-N 455.374 2.666 50 10 JFGE CN(CCN(Cc1ccccc1)C(=O)c1cc(F)c(B(O)O)cc1Cl)Cc1ccccc1 2256012967 AUTRJYAUWDKZLD-UHFFFAOYSA-N 454.738 2.933 50 10 JFGE O=C(NC[C@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1O 2279407965 KPDJSLYXHBTEJQ-MWLCHTKSSA-N 454.102 2.917 50 10 JFGE O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NN=CC=Cc1ccccc1 2295979398 DLNARVPTYNNVPS-UHFFFAOYSA-N 491.411 2.571 50 10 JFGE C#CCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110602 HLWOCGVTMXCPTR-UHFFFAOYSA-N 455.374 2.503 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309229329 SVLOODURVWYFMY-MGHWNKPDSA-N 469.401 2.792 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1Br 2313861580 BFECCQHYHYUFOB-UHFFFAOYSA-N 479.312 2.715 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2317611700 CXRHKSADHUTYIH-OYHNWAKOSA-N 493.394 2.660 50 10 JFGE CNS(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)sc2c1 2331124004 ZUXHMDKMMQCJGA-UHFFFAOYSA-N 472.548 2.775 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2355844882 FXOCRGQQZGQXMN-WCIQWLHISA-N 457.434 2.855 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040917 TZWQGJQVJFYCHL-UHFFFAOYSA-N 451.435 2.893 50 10 JFGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3cc(C)n(CCOC)c3C)CC2)cc1 254843224 GFSLIRAJXJMRLE-UHFFFAOYSA-N 490.626 2.701 50 10 JFGE Cc1ccc(S(=O)(=O)N(N=C2NS(=O)(=O)c3ccccc32)C(=O)/C=C\c2ccccc2)cc1 1083942035 XALMBAYQOXELDX-SSZFMOIBSA-N 481.555 2.879 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccc([N+](=O)[O-])cc1 1083979162 NSMDLYHOUFLBOD-UHFFFAOYSA-N 483.397 2.743 50 10 JFGE CC1(C)C[C@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1923143552 VIDXCFUTYQEUBK-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H](CBr)C(F)(F)F 1998475153 FEAWHYOQRKCNMT-NSHDSACASA-N 471.295 2.556 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCSC[C@@H]1CCBr 2029233744 WWHUXOVEMXTHJY-HNNXBMFYSA-N 489.457 2.985 50 10 JFGE O=S(=O)(c1ccsc1CBr)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123284803 SJOQMPDYHSBFQH-HZPDHXFCSA-N 457.415 2.917 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2256627661 BIXUNLAHMVITRG-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE C[C@@H]1COCCN1CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2257736783 SFNGTUAYIFPERP-CRAIPNDOSA-N 468.376 2.928 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2269545661 MUDKZIAPBIKRRJ-UHFFFAOYSA-N 484.361 2.963 50 10 JFGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2325118194 FNVONWCDLPFORM-QGZVFWFLSA-N 452.580 2.630 50 10 JFGE COC[C@@]1(CBr)C=CCN1C(=O)c1ccc(I)c(O)c1 2379852256 UCCINWISFAOAEX-AWEZNQCLSA-N 452.086 2.789 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14661501 OKZPCIOUBOSSES-UHFFFAOYSA-N 483.315 2.575 50 10 JFGE CC(=O)N[C@H]1[C@H](OC(=O)CCl)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 245189409 FRIJYIDOBDHXKU-ZGCCOFLOSA-N 475.925 2.698 50 10 JFGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cn1ncc2ccccc21 730448034 KKVCEFIRJFMUTI-UHFFFAOYSA-N 496.615 2.981 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2N)cc1 1084300352 NPVOSLOWTBPXSE-UHFFFAOYSA-N 451.600 2.866 50 10 JFGE CC(=O)N1C[C@H](C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)Oc2ccccc21 1160812483 DREMIPHJCVPDSL-MRXNPFEDSA-N 458.400 2.815 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 1633773843 WVGKXRLWPDPBLN-UHFFFAOYSA-N 454.353 2.756 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860770217 YCTZAXBNKBYTSY-VSGCLNPGSA-N 496.589 2.851 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C[C@]2(CCCO2)C1 1924211264 BWKUEWHBBZZHDT-YCRPNKLZSA-N 454.976 2.501 50 10 JFGE CC1(C)C[C@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2004914732 RMOIUKWLMXLDGZ-CQSZACIVSA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2041459843 KHXMVHGKTMCAFN-YWZLYKJASA-N 469.401 2.890 50 10 JFGE Cc1cc(S(=O)(=O)NCCOCCCI)sc1Br 2042199830 BYWRSIPAALOBAR-UHFFFAOYSA-N 468.176 2.939 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@](C)(C2CC2)C1 2163056269 PNJVJGCINYIUSH-SFHVURJKSA-N 466.442 2.812 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@@H]21 2163057075 YDQVUJDEEREEAC-HOCLYGCPSA-N 466.442 2.812 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2296562415 PCQLHOUVUJEOFE-LEWJYISDSA-N 481.603 2.874 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c2ccccc21 10737058 QUHCBRHCWQVGOG-UHFFFAOYSA-N 468.560 2.793 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630250 BJYMHYSJVCCROX-MRXNPFEDSA-N 472.567 2.533 50 10 JFGE COC1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 707387522 HNPCSXOJUQTICG-UHFFFAOYSA-N 487.416 2.515 50 10 JFGE O=C(NCc1nnnn1-c1ccccc1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730672853 PBEUVPOFBZGKKO-UHFFFAOYSA-N 461.457 2.525 50 10 JFGE CCCNC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 1084137989 UKPCFLLYAAKDKP-UHFFFAOYSA-N 450.539 2.756 50 10 JFGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1463571291 CSUDUDQUWZATRH-UHFFFAOYSA-N 452.467 2.538 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Br 1924796244 ICUILUMTQZZAPC-CJNGLKHVSA-N 455.374 2.546 50 10 JFGE CCCN(CCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542796 LEDPVPHLIOCDIJ-GOSISDBHSA-N 463.369 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2044828365 UIIRBNKRJLLMHO-QGZVFWFLSA-N 475.380 2.838 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)N[C@H]1C[C@@H](Br)C1 2063144443 SBVLMPYXPQWAPH-IAQIWYKVSA-N 462.989 2.998 50 10 JFGE O=C1CN(C(=O)c2csc(Br)c2Br)CCN1CCBr 2114630627 XEWZMYDXYQQTHK-UHFFFAOYSA-N 475.000 2.952 50 10 JFGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123232112 MCPCCWWVUSYAPH-MSOLQXFVSA-N 457.415 2.917 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179948310 HLYTXJXOZCUQRA-BGYRXZFFSA-N 456.450 2.792 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2198075709 ALTUMZQHNPAJAY-IRXDYDNUSA-N 470.405 2.562 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C[C@]1(C)CBr 2215694425 WVUMWHHRGYIGLT-LJQANCHMSA-N 455.374 2.664 50 10 JFGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296720370 YFCYASFNLDBCBM-LJQANCHMSA-N 492.557 2.568 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(OCCCl)CC1 2364198715 ZGQLFCOURTVLSR-UHFFFAOYSA-N 456.992 2.893 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12571660 CVACMAMAKDTMMP-UHFFFAOYSA-N 499.376 2.822 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1 14027395 ZWOMYHQVGMUWLT-UHFFFAOYSA-N 479.327 2.793 50 10 JFGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(Cc2ccccc2)CC1 40728840 OOGPCUFJWLHULV-UHFFFAOYSA-N 482.386 2.900 50 10 JFGE Cc1nc(-n2cnc(I)c2I)ncc1CCl 309168097 IFBCKDYAWQBKBV-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1083856742 NMQNTPGHTDMCST-UHFFFAOYSA-N 465.959 2.908 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1614102484 YCTRAXLWRQMRNO-GMGXVBACSA-N 495.630 2.551 50 10 JFGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3)cc2)cc(OC)c1OC 1772720428 NYKMTRTVWCMWJX-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2318792696 MNJSYDNARPTNQP-UHFFFAOYSA-N 482.562 2.605 50 10 JFGE O=C(NCC(F)(F)C(F)(F)CI)c1ncc(Br)cn1 2336543435 JRBHDEFPJQJLJE-UHFFFAOYSA-N 455.975 2.675 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c(OC)c1 58990061 GXMJPQGFSNRTES-LSHDLFTRSA-N 491.371 2.681 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743831 LLZJGJXJZHTXTG-UHFFFAOYSA-N 488.386 2.713 50 10 JFGE Cn1nc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867100740 SCPMBVGXGKVCMC-SFHVURJKSA-N 457.462 2.668 50 10 JFGE CCN(CC)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872962258 RSKSTIXIRZKUPZ-SFTDATJTSA-N 492.624 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1CCBr 1942994845 PYPJSKXHJTVFTA-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CC(C)[C@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533043 OFKOUIJRQVQKHQ-MSOLQXFVSA-N 463.369 2.740 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C(F)(F)F 2046022203 IDLMJBJENGMAMT-LSDHHAIUSA-N 489.285 2.646 50 10 JFGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2064381237 GEBMIKXHBGXPLZ-YJYMSZOUSA-N 475.380 2.836 50 10 JFGE CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106774018 NZXWZIKXXGVVPZ-AWEZNQCLSA-N 454.431 2.669 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1cc(I)ccc1Br)N1CCOCC1 2145633386 UHJGZOSCOVWSNL-GFCCVEGCSA-N 494.576 2.996 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1 9229846 QVYLLTCWWUPBSY-WEVVVXLNSA-N 493.339 2.780 50 10 JFGE O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14016393 AQPCRQRGJZWWLB-UHFFFAOYSA-N 472.523 2.577 50 10 JFGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 40804415 LMQGROZSOITQBX-NHFJDJAPSA-N 452.555 2.819 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C)cc1 59948084 NHVKYALGAGQODG-XGIGFIBQSA-N 470.016 2.982 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 107845757 VOGMQAUPDYMQDA-UHFFFAOYSA-N 476.352 2.836 50 10 JFGE O=C(N/N=C\c1ccc(Cl)c(Cl)c1)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891900 NHTFIHWYAFHSAM-FGJCKKKHSA-N 450.307 2.749 50 10 JFGE CCn1cccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c1=O 169918328 UXKOHVUXSGJYTF-WSVATBPTSA-N 459.094 2.568 50 10 JFGE COc1ccccc1NCC(=O)NN=Cc1ccc(C=NNC(=O)CNc2ccccc2OC)cc1 252461030 KAJUYCBQEVMBFY-UHFFFAOYSA-N 488.548 2.828 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(OC)c1OC 252590689 AUUKRMWTYMKBSJ-UHFFFAOYSA-N 462.919 2.584 50 10 JFGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)c1C 252633154 WALWTRQBXOPSBG-UHFFFAOYSA-N 489.594 2.940 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cccc(CBr)c1 703975872 ZOHINBMNQSRDPC-UHFFFAOYSA-N 451.342 2.687 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(OCC)cc3)n[nH]2)c1C 1540361225 SQRZSXKJJQYFLE-MRXNPFEDSA-N 452.515 2.703 50 10 JFGE C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2115934780 DJZYYGASMAKIJG-KGLIPLIRSA-N 454.431 2.573 50 10 JFGE C=CC[C@@]1(CBr)CCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2250429143 XHPSHRHNMFMFCB-IBGZPJMESA-N 455.374 2.808 50 10 JFGE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=C(C=O)c2nc3ccccc3o2)cc1 2297531912 FJTLGZVVRDJTOV-UHFFFAOYSA-N 451.464 2.501 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@H]1c1ccccc1 2321944857 OQYLUXVZNBVZGS-JOCHJYFZSA-N 458.499 2.968 50 10 JFGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2353835833 VEJAWOCCQMEVNW-PMPSAXMXSA-N 453.443 2.762 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc1 14027556 QHDQHQKYQPFOPL-UHFFFAOYSA-N 465.531 2.660 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(C)=O)cc1 14662525 FAPHPRMAIXXICM-UHFFFAOYSA-N 450.289 2.508 50 10 JFGE CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464037 GVBDJPBHAAXUSG-AFUMVMLFSA-N 465.531 2.780 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)S/C1=N/NC(=O)Cc1ccccc1 100844276 KMTUNXBVPXCCBQ-TVGGXGMTSA-N 451.504 2.882 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207202615 JVVIPQMLLHIFEI-FGBZTSAVSA-N 473.485 2.982 50 10 JFGE COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2c[nH]c3ccccc23)c(OC)c1 254846674 PDFYIFPOJYANGA-HSZRJFAPSA-N 491.504 2.507 50 10 JFGE COc1ccc(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1OC 1084356166 AFPKPNBCKQORCL-UHFFFAOYSA-N 451.479 2.685 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)CSc1ccccc1O 1466138535 ZPTLEBWIPXRHSF-UHFFFAOYSA-N 453.314 2.676 50 10 JFGE C=CCOc1cccnc1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1540427107 XIOLJUFNCYZYMG-UHFFFAOYSA-N 458.521 2.584 50 10 JFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 1857624701 LFDSJZUWJKJWAH-QDTBNOCASA-N 480.985 2.688 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1873794174 WWHVNTGYKQSITP-KBKYJPHKSA-N 493.472 2.916 50 10 JFGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535088 XXIGKQVAZDGPBD-QITLCBANSA-N 463.369 2.738 50 10 JFGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002412713 IVODXIMTKULIQO-MAUKXSAKSA-N 463.369 2.692 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2014966328 NPVYQLXLJXTUKB-URKNILKWSA-N 455.374 2.546 50 10 JFGE O=S(=O)(c1cccc(CBr)c1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179820096 UHCZPCWMDHZRMD-WOJBJXKFSA-N 451.386 2.855 50 10 JFGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179824189 RVFMTABFTPQDBU-QZTJIDSGSA-N 455.374 2.757 50 10 JFGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCCCC1 2296732154 ARTWHXRNPLCDLF-UHFFFAOYSA-N 468.561 2.941 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2317614283 WIUUGBBWNPPJJI-QHCPKHFHSA-N 490.390 2.630 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 9821945 QVEHRZPCQZWATB-UHFFFAOYSA-N 496.383 2.822 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501128 HDDPTMFHBBIAPG-UHFFFAOYSA-N 484.321 2.956 50 10 JFGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 59385405 YUVJTOXHPFOYAE-FINLKQIMSA-N 452.536 2.815 50 10 JFGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 1084645620 KHOUVOJGECZJDP-QGZVFWFLSA-N 457.284 2.926 50 10 JFGE O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)c1ccc(Br)cc1 1115952970 OIGBSACZAILQJP-UHFFFAOYSA-N 495.399 2.768 50 10 JFGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2nc(-c3ccc(Cl)cc3)no2)ccc1F 1543551535 RJFIZZLQKFINIZ-UHFFFAOYSA-N 451.867 2.750 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745102 QZQDTQVYZIWHJI-UHFFFAOYSA-N 476.489 2.604 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)(F)F 2046030994 CAQGEWSJXMBZLG-DOMZBBRYSA-N 489.285 2.646 50 10 JFGE CCN1CCC[C@@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2056495169 BAIXQLMHPKABNL-WPRPVWTQSA-N 465.176 2.998 50 10 JFGE CN(C1(CCl)CCSCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2114723814 YQCXMFXUWJRKBD-SFHVURJKSA-N 462.996 2.777 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc(OC)c1OC 10283454 DXVFSUAETULGCY-UHFFFAOYSA-N 461.540 2.697 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 10455746 XOURUPFEKVTUJE-UHFFFAOYSA-N 490.541 2.983 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13977363 GZNWZLMRCROHNG-NTUHNPAUSA-N 470.551 2.791 50 10 JFGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c1 40659239 ZDUOKXUEZLPLST-UHFFFAOYSA-N 481.425 2.899 50 10 JFGE O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 72336387 OYKHDTUAIVKBNA-JRUWMGNWSA-N 497.143 2.603 50 10 JFGE COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cc2)cc1 101123352 CFJQUBVHQHMDMB-MOSHPQCFSA-N 452.492 2.630 50 10 JFGE O=C(N[C@H]1COC[C@H]1Br)c1cc(Br)ccc1I 323064315 MVOIXCUSKNZSHR-SCZZXKLOSA-N 474.918 2.946 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)C1 730937535 VYDFOFACBFJAEZ-LTKMBJGESA-N 499.413 2.553 50 10 JFGE C[C@H](C(=O)NNC(=O)c1ccc(Br)o1)n1cnc2sc3c(c2c1=O)CCCC3 1860772236 WCSDKABZCNOAOR-SECBINFHSA-N 465.329 2.715 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC[C@@H](Br)C1 1942097226 GUYPDIBVRBVIGI-HUUCEWRRSA-N 457.390 2.936 50 10 JFGE CC(C)[C@@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533046 OFKOUIJRQVQKHQ-ZWKOTPCHSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2078143202 NVZOJUORMVEETO-FOIQADDNSA-N 469.401 2.890 50 10 JFGE CC(C)(C)OC(=O)NCc1csc(NS(=O)(=O)N2CCC(Br)CC2)n1 2082098143 SELKYQNEEWRIEY-UHFFFAOYSA-N 455.400 2.684 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2106302593 NHLLDFBPBVISQP-WMLDXEAASA-N 452.415 2.612 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1F 14037640 SSVJBOXGZDYWLM-UHFFFAOYSA-N 460.712 2.956 50 10 JFGE C[C@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1 31829584 TZZZNKVNXWUZBM-GNEMGUDHSA-N 476.356 2.596 50 10 JFGE O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 35551256 ZVZQZTIACMHMFO-UHFFFAOYSA-N 470.088 2.682 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCN2C[C@@H](Br)C[C@@H]2C1 405252853 DTCSRFIWZHVBKG-GXSJLCMTSA-N 453.093 2.724 50 10 JFGE Cn1cc(C(=O)NNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 726978782 DXQQUQVLCJFKIR-OAQYLSRUSA-N 455.946 2.849 50 10 JFGE CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(S(=O)(=O)C2CCCC2)cc1 914692928 BIRGZDXGPJBGHN-UHFFFAOYSA-N 452.540 2.597 50 10 JFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1083963573 PXECUILAGGMECF-UHFFFAOYSA-N 496.501 2.712 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 1084346986 GCZOEJGNDOUVOY-UHFFFAOYSA-N 457.339 2.723 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)CC1CC1 1942806572 XOEKMVBJHFMYJM-HNNXBMFYSA-N 457.390 2.936 50 10 JFGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1945898485 JJXSNXUAXSNVSL-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(S(=O)(=O)CI)C1 1983327859 QVRQVYLAUTZLBJ-STQMWFEESA-N 458.362 2.820 50 10 JFGE CN([C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106771095 FTOFVIIOCZGFPH-CABCVRRESA-N 454.431 2.858 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2177327685 SHBBPVOSAZNFTO-AWEZNQCLSA-N 466.442 2.860 50 10 JFGE O=C(Cc1ccccc1I)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201779117 NTJQMLICWWYOSG-IUODEOHRSA-N 450.114 2.989 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239890163 IAZPFDCDYUJWOB-XPTSAGLGSA-N 452.086 2.623 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cccc([N+](=O)[O-])c1 11035575 VLYAKXBIGZLTTE-UHFFFAOYSA-N 473.077 2.960 50 10 JFGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Br 12502304 XUOHKWASFLVYHO-UHFFFAOYSA-N 482.272 2.523 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1 12502892 LRZPRLZZZCKXMS-UHFFFAOYSA-N 478.958 2.558 50 10 JFGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011390 WLEGHPPWPAVGOU-UHFFFAOYSA-N 471.579 2.777 50 10 JFGE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 33887220 GFPQLMIFPBYWSI-ATVHPVEESA-N 486.531 2.656 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccccc4F)CC3)c2[N+](=O)[O-])cc1 40658885 KFSFOVCALUXLOP-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1136528576 PJDBMDRIHXSQOO-UHFFFAOYSA-N 453.524 2.635 50 10 JFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)cc1 1772748568 LRWDPHAVKSYQDP-UHFFFAOYSA-N 470.507 2.583 50 10 JFGE COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860770194 XLPIMQZTXIMKCI-UHFFFAOYSA-N 478.530 2.668 50 10 JFGE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866610006 IYGCWCVDTUYSAO-NRFANRHFSA-N 493.589 2.955 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1CBr 2046030349 XMJSICGXHUYEEA-AXHNFQJDSA-N 475.380 2.884 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053993991 KVCRXSHCQQPPJQ-ZQIUZPCESA-N 469.401 2.601 50 10 JFGE CC(C)(C)OC(=O)N1CCN(c2ccc(NS(=O)(=O)CI)cc2)CC1 2062769574 PNVUJOGTLMGMJW-UHFFFAOYSA-N 481.356 2.878 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2106772320 DXKMNYSMBFRNSN-UHFFFAOYSA-N 452.415 2.566 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506235 KERQPYRYINNOII-IRXDYDNUSA-N 467.376 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H](CCCBr)C1 2213601775 JIWHVWCXANIXTJ-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289348373 PWESUFJEVKMBJD-FCEWJHQRSA-N 499.427 2.657 50 10 JFGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)cc1 2297462397 RDMWLIWUWJOZFO-UHFFFAOYSA-N 459.506 2.784 50 10 JFGE CCCOc1c(Cl)cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc1OCC 2323157700 GXTQBHKBHKCQIQ-SNVBAGLBSA-N 455.924 2.755 50 10 JFGE Cc1c(C(=O)NCC(F)(F)C(F)(F)CI)nn(C)c1Br 2361683349 YTPXPLSPYJGDFE-UHFFFAOYSA-N 472.018 2.926 50 10 JFGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1C 10154095 BKXRBGRUGOWNHX-SFHVURJKSA-N 471.579 2.659 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)c1 10276235 LDIONIPHFURTHB-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10276429 KCIGOYYRVSXZIC-UHFFFAOYSA-N 496.383 2.579 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1Br 14770871 SHDIAVRTMMJFPJ-UHFFFAOYSA-N 482.356 2.571 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2OC)c(Br)c1 100461071 WUEQNYGXCZYFGT-UHFFFAOYSA-N 451.317 2.934 50 10 JFGE COc1ccccc1N(CC(=O)NN=C(C)c1cccc(Br)c1)S(C)(=O)=O 252638750 YFUHCGZIDBOMSZ-UHFFFAOYSA-N 454.346 2.764 50 10 JFGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1470582179 MJHXUJZQCDPYMK-RXVVDRJESA-N 472.567 2.639 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1cncc(Br)c1 1860769627 BDKUWSVWARVANH-UHFFFAOYSA-N 484.335 2.744 50 10 JFGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2251026724 XUUKYNKKGGIUJL-DAYGRLMNSA-N 461.353 2.588 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2317670416 CXXZDTMSSJVQNN-FQEVSTJZSA-N 480.276 2.900 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 2325045301 QUUUJHZZCOIWDQ-AWEZNQCLSA-N 467.478 2.974 50 10 JFGE CC1(C)OC[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2338832892 GVEOJHOEJKLBIQ-IRXDYDNUSA-N 487.416 2.703 50 10 JFGE COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N/C=C1\C(=O)NC(=O)C(C#N)=C1C 101110359 ZEIUGHTVHYVECJ-ATVHPVEESA-N 452.492 2.597 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=C(C)c2ccc(OC)c(OC)c2)sc2c1CCC2 254505562 JVVJCHZSKTXOAA-UHFFFAOYSA-N 459.524 2.910 50 10 JFGE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 726496840 MQBIJHQIUZJMSO-TXUZILRVSA-N 486.619 2.651 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)CCC2CCCCC2)cc1 727348125 NWSJQFGIMOAHBY-NRFANRHFSA-N 463.600 2.940 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 742401287 BJVNQQKRCWONMM-ORTNRGLGSA-N 478.597 2.578 50 10 JFGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 747842259 ALSUFCRDCUUSJG-UHFFFAOYSA-N 470.532 2.805 50 10 JFGE O=C(NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F)c1ccc(Br)cc1 1318271685 UYZJUTDLNVWJQJ-UHFFFAOYSA-N 496.108 2.672 50 10 JFGE COc1cc(C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)c(Br)c(OC)c1OC 1873777329 FKKLDALUKBAHIA-CYBMUJFWSA-N 493.358 2.865 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NCCOCCI)C1 1904643543 XEOZGDNRCNONGO-NPMABZOXSA-N 460.378 2.935 50 10 JFGE CC(C)[C@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542847 LNEDBWMKOSQNJI-YJBOKZPZSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC(Br)C2)C1 2005819542 GOTZONYFMBJHLJ-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)CC[C@H]1C(F)(F)F 2007710393 UTSXXLYMVYZMFF-VHSXEESVSA-N 486.294 2.734 50 10 JFGE O=C(C=Cc1cccc(Br)c1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 2040439505 QBBMSNMOIIDHDK-UHFFFAOYSA-N 471.399 2.818 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2084025641 CYQWSBOQKAWVNV-XDKFSHSGSA-N 469.401 2.934 50 10 JFGE CN(C[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2106773467 LNBHZUMLCDVDEV-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2179809231 REWGIEKOOOTTTM-MSOLQXFVSA-N 453.406 2.706 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248895937 RMGILOSODKQUQB-UHFFFAOYSA-N 478.379 2.624 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@H](Br)C1 2301132898 GBSYEXFPOANCTA-SHTZXODSSA-N 457.390 2.936 50 10 JFGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1 2328808862 BXFGYUSQVXBMFW-UHFFFAOYSA-N 458.474 2.840 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2329583065 RAOIWLNOYSJAIP-VYPVPOJWSA-N 487.391 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2364214636 OLDUPMPPSAPHJL-ZYSHUDEJSA-N 499.427 2.800 50 10 JFGE C[C@@H](Sc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1)C(=O)NNC(=O)C1CCC1 59879477 DNCCKIUTBZIOGJ-JCSHNYPTSA-N 472.358 2.691 50 10 JFGE O=S(=O)(CCl)Nc1cc(I)cc(I)c1 606301704 BFQXVBUVTPQSNW-UHFFFAOYSA-N 457.458 2.834 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2cccnc2)cc1)Nc1ccccc1Cl 1084047966 YHZWONMQKWREAV-UHFFFAOYSA-N 465.897 2.519 50 10 JFGE Br[C@@H]1C[C@@H]1Cn1cnc(I)c1I 1877475172 VTCHTRXNKJULTE-RFZPGFLSSA-N 452.859 2.876 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCOCCBr 1954679753 DTKTZYYGZWLOMJ-UHFFFAOYSA-N 454.406 2.749 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2029212620 LGAOQGXAYVUOKO-QGTPRVQTSA-N 469.401 2.888 50 10 JFGE CN1C[C@@H](Br)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2029864899 VOOZWTNKSGHDMH-MWLCHTKSSA-N 487.961 2.861 50 10 JFGE CC(C)N(CCOCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089706892 HOZQJTWRGAXTTL-UHFFFAOYSA-N 489.432 2.905 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@]1(C)CCl 2108231347 PIYVZKVOYOIJGV-IAGOWNOFSA-N 452.882 2.679 50 10 JFGE CN1C[C@@H](Br)[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277928513 ROTYJQIMDXLOCI-VXGBXAGGSA-N 454.988 2.948 50 10 JFGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3CS(=O)(=O)C[C@@H]32)C1 2371131125 ILIVXDARAHJQHH-LSDHHAIUSA-N 465.454 2.906 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 9826299 ZAVFNFOMJWLUGC-UHFFFAOYSA-N 472.567 2.646 50 10 JFGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 14037261 RTFHIRRLFQHUCT-UHFFFAOYSA-N 460.512 2.734 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(SC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c1 20664172 DGHGBKRYAGGAJA-HNNXBMFYSA-N 461.496 2.958 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1084631257 DNMLXISCPHQJTJ-UHFFFAOYSA-N 463.943 2.678 50 10 JFGE CCn1c(NNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)nc2ccccc2c1=O 1086932998 NCKQOFHMCWRQOL-HXUWFJFHSA-N 457.490 2.720 50 10 JFGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1230269063 OCHUWQOFCZIVSB-KXBFYZLASA-N 478.958 2.676 50 10 JFGE C=C(CC)C(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 1587203253 HZPOVICUCUNHAE-UHFFFAOYSA-N 459.671 2.985 50 10 JFGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3C[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 1615029660 WZQWRHWLQPEBFF-MCIONIFRSA-N 451.600 2.797 50 10 JFGE O=C(CCC(=O)c1cccs1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770980 FIYDOSRRXUBOAN-UHFFFAOYSA-N 466.544 2.997 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1 1865852462 XWRAFYBHUHCFOJ-UHFFFAOYSA-N 467.438 2.634 50 10 JFGE CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)Nc1ccc(SC#N)cc1 1866638238 MITKGEVGRVUZFN-GOSISDBHSA-N 460.581 2.966 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(S(=O)(=O)CI)C2)C1 1983326967 HGRISMDCWVYOBI-HNNXBMFYSA-N 458.362 2.822 50 10 JFGE CC(C)(C)OC(=O)Nc1cccc(OCCNS(=O)(=O)CI)c1 1983327524 NKQMVMLRZGYAKP-UHFFFAOYSA-N 456.302 2.724 50 10 JFGE O=S(=O)(NCCOCCCI)c1cscc1Br 1997683141 LKMMEMLKPKLCPT-UHFFFAOYSA-N 454.149 2.631 50 10 JFGE CCC[C@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539649 BPBIEILSRVECEW-UGSOOPFHSA-N 463.369 2.884 50 10 JFGE Cc1ccc(B(O)O)cc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302692243 WUMPUVADZJYTRZ-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314233804 NPJIRZUAJQHQNQ-TXPKVOOTSA-N 473.364 2.755 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@H](CBr)CO1 2338851215 XWSGPPYNCHYOMA-CVEARBPZSA-N 487.416 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2364213568 HQCWKSAMHCRCEH-GOSISDBHSA-N 499.427 2.801 50 10 JFGE CN(NC(=O)c1cc(Br)ccc1I)S(=O)(=O)C1CCC1 2365273684 OTACZFJHQATAJI-UHFFFAOYSA-N 473.130 2.513 50 10 JFGE O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccccc1I 13979376 NTFXDBJYESNIIF-BQYQJAHWSA-N 457.318 2.702 50 10 JFGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58991866 GZIYMBPGCMTMBT-OEAKJJBVSA-N 469.527 2.988 50 10 JFGE C[C@@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 228936221 UEYRWEFMISMUDN-KNWBJPGPSA-N 459.462 2.655 50 10 JFGE O=C1NC(=O)[C@@H](c2cc(Br)ccc2I)[C@H]1Br 300918896 WUDFQDMNRPOKPW-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE CC1([C@@H](CBr)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 1945362619 SFHBUPQDDJBKRU-MRXNPFEDSA-N 457.390 2.936 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179948903 ORONUQGHMOZQQF-AABGKKOBSA-N 456.450 2.935 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 2297551956 MKOXPSZILXLEHL-UHFFFAOYSA-N 465.293 2.511 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)c1ccccc1I 10041885 KSQIJBREINUDLY-ZHACJKMWSA-N 481.315 2.649 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 10294207 MDCFZVXVCGEVPA-UHFFFAOYSA-N 463.515 2.855 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 13976577 UPBSADYRHSTQAR-YRNVUSSQSA-N 454.552 2.766 50 10 JFGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)C3CCC3)n2-c2ccccc2)cc1 59844540 NQQWQWOWSZTNFU-UHFFFAOYSA-N 466.567 2.928 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709811591 SBOHMHFIUZKALP-BXUZGUMPSA-N 483.306 2.508 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CN(C)C(=O)c2ccc(Br)s2)c1 1154050364 LNTAKLLEYDNFAN-UHFFFAOYSA-N 451.371 2.582 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC12CC(CBr)C2 2046022760 MQHCHHRHAZCVSE-HRJVKACCSA-N 473.364 2.590 50 10 JFGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1nc(C)n(C)c1Br 2136492593 PVWZRPLIBMKDBG-VXNVDRBHSA-N 464.167 2.619 50 10 JFGE CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179790164 ACATYPWIKGBZST-GOSISDBHSA-N 455.422 2.953 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2257389710 YESZXJYGBGWFCI-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826203 SWZLLIHDOLEOQC-LGUFXXKBSA-N 498.536 2.750 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1OC 58987661 VNDCLQZVPJIOKN-LSHDLFTRSA-N 491.371 2.681 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 202749614 KKLQDUCRZCCKHG-RSPOEFSDSA-N 486.714 2.751 50 10 JFGE Cc1c(C#C[Si](C)(C)C)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OC(C)(C)C)CC1 1887514878 JOCFGTHURZJZNE-UHFFFAOYSA-N 458.484 2.573 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)CCC[C@@H]1Br 2011548701 QIACHBRPFRZKTF-HNAYVOBHSA-N 457.390 2.934 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2266910632 JEUOXEJYWZIHMF-INIZCTEOSA-N 497.333 2.741 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2317658833 PPBKOJUFSSSLNQ-NSYGIPOTSA-N 472.350 2.861 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2317672111 TZOGKPLILSFWKB-VWLOTQADSA-N 470.334 2.526 50 10 JFGE CCOC1(CBr)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338685861 FOJSSTSWAYDZIY-UHFFFAOYSA-N 459.964 2.571 50 10 JFGE Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C\c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 38804116 DQAXRTOGFQEVLR-GATIEOLUSA-N 491.460 2.523 50 10 JFGE CC1(C)CC(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC(C)(C)N1 40645220 YTTCLIXTHLHIPY-UHFFFAOYSA-N 458.479 2.771 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(Br)cc1 58989619 OGEPKNUYLKRULQ-WSDLNYQXSA-N 459.373 2.782 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccccc1O 58990151 YLFFKBKUUPYYFX-SSDVNMTOSA-N 491.371 2.855 50 10 JFGE N[C@H](CSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 196602980 IYIHYJPRXJXCRY-MSOLQXFVSA-N 462.549 2.772 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)c1cccc(Br)c1 1520681958 VZQYCKORFHNXHC-OAHLLOKOSA-N 456.243 2.689 50 10 JFGE CC1(C)[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542493 KKKLPLXBERYFFK-KDOFPFPSSA-N 461.353 2.588 50 10 JFGE CCC(CC)(CBr)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2127127215 SZRRABNOJLSTAF-UHFFFAOYSA-N 453.443 2.908 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@@]1(C)CBr 2253435140 LSONHCHHZJDLQD-OALUTQOASA-N 473.364 2.756 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2256598313 OSNXBVNNNXHDRA-XMMPIXPASA-N 492.406 2.950 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2283990383 CRORPXOYTOMKNT-MHZLTWQESA-N 498.388 2.814 50 10 JFGE O=C(CCC(=O)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1)NCc1ccccc1 10505940 NILIFIKYOMGPFV-UHFFFAOYSA-N 453.351 2.726 50 10 JFGE O=C(COc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1I 12502844 GLVIISQABAZBNK-UHFFFAOYSA-N 489.722 2.659 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(Br)cc1 58987222 ASRKSHSLUGASHR-SSDVNMTOSA-N 491.371 2.855 50 10 JFGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc[nH]n2)c1 1629180102 ICNCSSBRCFXQLV-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCCCc3ccccc3)C2)C1 1872962266 RUPMZGVWGQZZLV-YADHBBJMSA-N 463.582 2.635 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@]1(C)CBr 2046025208 HJMGEXNSAFHUBE-RBUKOAKNSA-N 475.380 2.980 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106295662 JXZJZUANNVBQST-QKDCVEJESA-N 452.415 2.611 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(F)cc2I)CC1 2170215850 KFJZKIOCOCUCJK-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OC)c2)c(OC)c1 2295353424 YBSZDQVQSMZEOB-UHFFFAOYSA-N 467.522 2.969 50 10 JFGE O=C(c1cc(I)sn1)N1CC2(CCOCC2)[C@H]1CBr 2352875209 XHMPJJOTLPUVME-SECBINFHSA-N 457.131 2.764 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 12570379 MNAGYFOKJPOTFP-UHFFFAOYSA-N 479.356 2.756 50 10 JFGE CC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649708 ZMCRUQAAEGXQRL-UHFFFAOYSA-N 451.399 2.925 50 10 JFGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)c1 40822121 BDFKUYLHIYHIIW-NHFJDJAPSA-N 468.554 2.519 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H](Br)C1 703967256 QCDOTSWGSKETRI-KGLIPLIRSA-N 457.390 2.934 50 10 JFGE C[C@@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 726277525 BCTPNDADUXYLAX-MRXNPFEDSA-N 452.534 2.774 50 10 JFGE C[C@H]1COCCN1CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 729385445 GIIQXNRAWVPOEN-NFBGKYEXSA-N 452.946 2.861 50 10 JFGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 1613969718 JHQXYGIATOPEIN-KOUDOSIMSA-N 456.524 2.947 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c(C)nc2c1 1860771248 OGLXMFDGSUNDHP-IUODEOHRSA-N 478.578 2.870 50 10 JFGE Cc1cccc(C)c1OCCCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851691 GKXXXEDOZYYYDO-UHFFFAOYSA-N 468.579 2.960 50 10 JFGE CSCC[C@H](Cl)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024797 DCZZDQSSQNIQLV-ACJLOTCBSA-N 450.985 2.681 50 10 JFGE C[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2106774062 OGDQNGSKXDNXLB-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2162203700 GMOFEOSGTYCACI-RTBURBONSA-N 456.450 2.935 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179827483 FXOCRGQQZGQXMN-NMLBUPMWSA-N 457.434 2.855 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2318673164 KRWBZUPFNMINPP-QFIPXVFZSA-N 480.276 2.900 50 10 JFGE NNC(=O)c1coc(COCc2ccc(I)c(Br)c2)c1 2377638761 VUJSTGCVOUACRO-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc(O)cc1 13978727 SLSUNYVHWNFPEB-UHFFFAOYSA-N 458.721 2.523 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCc1ccccc1 14662944 BJTMOTVRRRWEAX-UHFFFAOYSA-N 480.384 2.743 50 10 JFGE CN1CCC(N(C)c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40658822 PAZCOCSTEOXHQH-UHFFFAOYSA-N 454.318 2.979 50 10 JFGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 102924311 TYTXDGXJBZFOSU-RAXLEYEMSA-N 469.508 2.867 50 10 JFGE CCOC(=O)NCCN/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216511712 CNUCNWKXCPKUNQ-ATJXCDBQSA-N 461.566 2.663 50 10 JFGE O=C(N[C@@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 323064316 MVOIXCUSKNZSHR-WCBMZHEXSA-N 474.918 2.946 50 10 JFGE C=CC[C@@]1(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1466702817 UKSCXYBWBREPKN-NRFANRHFSA-N 453.561 2.888 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 1671437987 FDSDOOFCOHRUGD-YQQAZPJKSA-N 455.515 2.518 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771959 NBYXKLZQUGEWAK-OAHLLOKOSA-N 454.552 2.741 50 10 JFGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c(C(=O)O)n2C 1873499310 PHQGNIFAHBNULM-HZZGJGATSA-N 458.515 2.982 50 10 JFGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NCCOCCI)C(C)(C)C1 1904643650 YLHDSFKFMQLNPF-QHCPKHFHSA-N 460.378 2.935 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146692135 IUPSHIMEYZNYRF-NDMJEZRESA-N 452.086 2.764 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C2(CCOCC2)C1 2174374480 AIDJUYYEUIXTRU-GOSISDBHSA-N 499.427 2.659 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CC2(CBr)CC(F)C2)C1 2280358693 GJKXWXXXSWUKNU-PPSBMQLTSA-N 451.377 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 2316822006 MFHRLLGIQSEGRF-MGPUTAFESA-N 469.401 2.890 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14771031 SPQMPDLJKQVYCB-UHFFFAOYSA-N 482.356 2.814 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccccn1 40611415 OTKLFKTYILVJBA-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1 59880243 HANHBHPUPWAESJ-YCYNJWQJSA-N 489.533 2.846 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc3c(c2)OCCO3)sc2c1CCCC2 254743354 BOMPEYHPRZOMDY-UHFFFAOYSA-N 457.508 2.664 50 10 JFGE COc1ccc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)cc1NC(=O)c1ccccn1 728506430 OSNHUVCYKIXDMK-UHFFFAOYSA-N 477.502 2.514 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)c1 1303281292 ZUCZMVSCARJCAF-CQSZACIVSA-N 454.556 2.635 50 10 JFGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C)c1 1865851742 HTPNVAQWBGFBIM-UHFFFAOYSA-N 466.563 2.764 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)C1 1872960343 BXQXHYLRBJQDAW-VQTJNVASSA-N 457.534 2.970 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2050618579 MUIHCFZUBCPMOQ-FZKQIMNGSA-N 473.364 2.733 50 10 JFGE O=C(Cc1ccccc1I)N1CC2(C1)OCCC[C@@H]2Br 2159660505 LOSMPEWLTLKIRH-ZDUSSCGKSA-N 450.114 2.989 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC2(CCC2)C1 2163054073 UESUFADWGPPGAM-HNNXBMFYSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](N(C2CC2)S(=O)(=O)N2CCC(Br)CC2)C1 2163054963 BUGTVIDNTVESFK-INIZCTEOSA-N 466.442 2.954 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215055804 KGUBPHFBEXTNDT-INIZCTEOSA-N 484.059 2.981 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCl)(C(F)F)CC1 2289936755 AHXYFYZUWGAUEY-SFHVURJKSA-N 466.909 2.927 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)[C@H]2C[C@H]21 2309226255 SVLOODURVWYFMY-OKDNKWQNSA-N 469.401 2.792 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(CCOCCI)CC2)C1 2326653542 IFFNCHIWESOAMW-JKSUJKDBSA-N 467.392 2.501 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC(OCCCBr)C1 2338669365 CQCMORDOXTWADM-UHFFFAOYSA-N 459.964 2.571 50 10 JFGE C=C[C@]1(CCl)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201939 MPGUAYCLEXMRIV-NRFANRHFSA-N 454.976 2.669 50 10 JFGE O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 10599888 HSIWUAOGRVMQCC-UHFFFAOYSA-N 484.603 2.601 50 10 JFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2C)ccc1Br 12573530 ZYLYQLRREHVCID-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 13976807 RMODUDNGKZDMSC-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14310580 GJKPUAGXWSCPDW-OAQYLSRUSA-N 467.572 2.643 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccccn1 40658786 GBHLLIMZSZPSJU-UHFFFAOYSA-N 463.241 2.600 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCN2C[C@H](Br)C[C@@H]2C1 405252856 DTCSRFIWZHVBKG-MWLCHTKSSA-N 453.093 2.724 50 10 JFGE Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 792834952 IXRUWUKTGKYRPP-UHFFFAOYSA-N 460.943 2.529 50 10 JFGE CC(=NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([S@](=N)(=O)O)cc1 916323474 JQMJUCXCTZAHNY-UHFFFAOYSA-N 450.542 2.504 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1083898206 CAJDDEIJAJKAKC-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE COc1ccc(C2=NO[C@H]3[C@H]4CO[C@@H](O4)C(=NNC(=O)c4cc5cc(F)ccc5[nH]4)[C@H]23)cc1 1565517358 NFOVOJOJPSUICL-GPFNJZLUSA-N 450.426 2.576 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770638 QJJQOWWHKNOUIV-UHFFFAOYSA-N 498.586 2.842 50 10 JFGE CN(C1(CBr)CCCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050879055 BSOYGSZXCVHHSQ-GOSISDBHSA-N 475.380 2.980 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1csc(Br)c1Br 2057670818 TVERMCBAQGEDGU-PHDIDXHHSA-N 482.013 2.563 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2106297818 ZKXBTROFXHSWPK-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNS(=O)(=O)N1CCC(Br)CC1)C2 2162592868 YOQGNQISOMOKER-HOTGVXAUSA-N 466.442 2.858 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2179868202 HGZMFPWUQDWHBG-SJLPKXTDSA-N 453.406 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2264706515 RNDYROJKUMVBKY-HZPDHXFCSA-N 487.416 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289348374 PWESUFJEVKMBJD-FRQCXROJSA-N 499.427 2.657 50 10 JFGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)C1 2296849536 LTWHQPOXHJTUBD-SFHVURJKSA-N 489.532 2.599 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 13978574 HUIINMKHXIJMHF-UHFFFAOYSA-N 493.383 2.684 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)cc1Br 14661432 JWECCLFLSBKSMT-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 15567193 OSWYGDPJOZGLAO-UHFFFAOYSA-N 464.485 2.710 50 10 JFGE CC1=CC(=O)[C@H](Br)[C@@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 138558107 PXSJQHDLGQQGTD-XUMKSBJFSA-N 466.107 2.781 50 10 JFGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951863 SWUFZQJPNYADIW-ZIAGYGMSSA-N 457.390 2.744 50 10 JFGE C#CC[C@]1(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1540360977 LNPXIOWJTNHECX-BXKMTCNYSA-N 459.543 2.793 50 10 JFGE CCN(CC)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872962257 RSKSTIXIRZKUPZ-RTWAWAEBSA-N 492.624 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@H]1Br 1924796239 ICUILUMTQZZAPC-BBRMVZONSA-N 455.374 2.546 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)c1ccsc1 1982719091 KXFIIDWNGHIIDD-OAHLLOKOSA-N 457.371 2.790 50 10 JFGE CC(C)CN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000537778 DMJIGXRKHXMSAY-SFHVURJKSA-N 463.369 2.694 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2078144383 UUJGKXYJIYCINV-XOBRGWDASA-N 469.401 2.746 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 2108228425 APKAGNGNELXTAQ-PNHOKKKMSA-N 487.391 2.838 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179816189 IYFPEEVMAYYDGU-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE O=S(=O)(NCCc1cccc(I)c1)N1CCC(Br)CC1 2289552258 PVRWRVXKRLOPIR-UHFFFAOYSA-N 473.174 2.527 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@@]1(C)CBr 2338683483 CFVCPBPWXJVRNN-LLVKDONJSA-N 459.964 2.571 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1CBr 2338853178 VVGRJACYIRFNJB-CRAIPNDOSA-N 487.416 2.562 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2nc3ccccc3n2C)cc1 750111603 CBRZKAPMZORXPQ-AQTBWJFISA-N 484.516 2.971 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1Br 1942095158 NTHOFDAYATUDAB-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(Cl)c(I)c1 2256390237 NQWGKJYZXHXDIW-VIFPVBQESA-N 493.466 2.651 50 10 JFGE O=C(NCCCC(=O)N1Cc2cccc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2257381516 NJKNXANAKVERBJ-UHFFFAOYSA-N 470.334 2.528 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](OCCCCl)C1 2364189947 HCVZSQVSPUXEAP-KRWDZBQOSA-N 456.992 2.893 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Cl 2364208511 JHWBSXHEZMICSW-ZWKOTPCHSA-N 454.976 2.691 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13997500 METHESGEUDCQGF-UHFFFAOYSA-N 462.572 2.574 50 10 JFGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(c2ccccc2)CC1 40727098 YDIGRBKUNISLPJ-UHFFFAOYSA-N 468.359 2.905 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3cccc(C)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(C)c1 252669242 GYNYVDWGQTUAOQ-NRFANRHFSA-N 457.555 2.518 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCI 703979333 BSTPHTMBDATDIK-UHFFFAOYSA-N 492.379 2.834 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 916761445 JMNIXRFQINVDGN-GUBQRQEFSA-N 455.536 2.899 50 10 JFGE CN(C)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 1084286860 AJCSGPAVJNFPAP-UHFFFAOYSA-N 472.962 2.523 50 10 JFGE C=CCC(F)(F)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1440723926 UVXFTASJCZUQKP-UHFFFAOYSA-N 453.467 2.859 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@@]2(C)C[C@H]2Br)cc1 1533370450 AGCFOSJJXVGZCA-ZHALLVOQSA-N 457.390 2.722 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718671 KMTUNXBVPXCCBQ-ALBAOUQLSA-N 451.504 2.882 50 10 JFGE CN(C)[C@@H]1CN(c2ncc(I)cc2Br)C[C@H]1Br 2015765034 DEWLADOYGKSCGN-NXEZZACHSA-N 474.966 2.962 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 2022926328 KELURXYNEMVIPP-UHFFFAOYSA-N 479.665 2.675 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1(C)C 2106894886 WVLVELZFEKWCQU-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE CC(C)[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2304308272 YVEOYLIRSLMJLY-WMLDXEAASA-N 457.390 2.886 50 10 JFGE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(CCOCCI)C1)C(F)(F)F 2306801992 LFCDDNFXUVSUBC-DTWKUNHWSA-N 462.172 2.512 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14660765 KZMBWNHCECSAPR-MRXNPFEDSA-N 467.547 2.968 50 10 JFGE COc1cc(C=NNC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1 254405934 GEWCBQCIRZDSPJ-UHFFFAOYSA-N 479.464 2.909 50 10 JFGE COc1cc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)/C=C\c1ccccc1 254626402 IKFMXGNWAKPERX-QDMBVXHBSA-N 493.541 2.743 50 10 JFGE C=CCNC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 1084523156 CJPUWTXKOCNIHD-UHFFFAOYSA-N 494.573 2.731 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1084594376 IGGGTRNAEANPBO-UHFFFAOYSA-N 466.357 2.930 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=S)Nc2ccc(N(C)C)cc2)(c2ccccc2)CC1 1154054047 UTZLBZNQDJCNQB-UHFFFAOYSA-N 451.596 2.817 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)Oc3cccc(Cl)c3)c2)CC1 1216724499 ZLZTZUFGBGCFBL-HNNXBMFYSA-N 459.934 2.629 50 10 JFGE CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 1858082012 YQDXEIXMRHDFHG-UHFFFAOYSA-N 474.539 2.566 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860769805 ILZMMOVFZIEVKJ-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE CN([C@@H](CCCl)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122007487 YXTQBHNEGPCEIC-XJKSGUPXSA-N 458.861 2.832 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185515021 RVOXAYVFQUTGRI-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)c2ccccc2I)cc1OC 2313601907 NGHLCSRQNNZMDI-UHFFFAOYSA-N 452.248 2.783 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2314792581 YNDLEMIJAMBWLB-UHFFFAOYSA-N 482.489 2.706 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC(C)(C)[C@H]1CBr 2364231473 ZMEHRKKWQDZFQM-SSDOTTSWSA-N 473.991 2.960 50 10 JFGE COc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Br 12484228 CJMYQXAWBQIRMC-UHFFFAOYSA-N 488.132 2.825 50 10 JFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNS(=O)(=O)c1ccccc1 12492377 LBJVOGHUZFTNII-UHFFFAOYSA-N 478.162 2.909 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc(OC)c1OC 14025050 ZKHVKUVNSVIUGM-UHFFFAOYSA-N 461.540 2.697 50 10 JFGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1ccc(Cl)cc1Cl 28638072 QBRVSXDUGUYUIH-UHFFFAOYSA-N 471.304 2.809 50 10 JFGE CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CCl)CC1)S(=O)(=O)CC 34910249 PIZVRMBLJKBLGJ-UHFFFAOYSA-N 472.051 2.615 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\NCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217190373 CFRSSUHCRCUELB-ODFZLOHPSA-N 452.580 2.977 50 10 JFGE CSc1nc(O)c2[n+](n1)[C@@H](c1cc(OC(C)=O)ccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 261362548 KOKKNXOHRSYHRD-FQEVSTJZSA-O 468.471 2.606 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(C#N)cc1 263629454 GKIWTTRIECJODM-UHFFFAOYSA-N 459.495 2.550 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCCCN2CCCC2=O)c(C)n1-c1ccc(F)cc1 786605266 FWWZVQZPVCPXER-XSFVSMFZSA-N 466.513 2.812 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1cccnc1 1084288611 JFGVRPXKHMIBIZ-UHFFFAOYSA-N 476.360 2.545 50 10 JFGE COc1c(C)cccc1C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084508233 VXAGQLWLKFFNRA-UHFFFAOYSA-N 482.496 2.781 50 10 JFGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccnc1Nc1ccccc1F 1087869657 KYFOVFQYKARKOX-UHFFFAOYSA-N 462.529 2.938 50 10 JFGE C#CCN(CC)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1626575049 KGIZNRGKMQKJKI-FOWTUZBSSA-N 454.328 2.577 50 10 JFGE O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859005718 ZERMXILZEBZMFP-UHFFFAOYSA-N 483.502 2.974 50 10 JFGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687566 VDIPAQVNYHPTRS-JOCHJYFZSA-N 467.570 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CBr)C[C@@H]1C(F)(F)F 1877512139 ASUFGPNOIWURBS-YOEHRIQHSA-N 497.333 2.946 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1913993937 HYNPTOAJINTTDM-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE CC[C@H](C)[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546288 ZFFRQSVOJWKASR-XLWVJDPXSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2049628731 ZQXJTVONOAVJBP-QUWSVYMGSA-N 475.380 2.886 50 10 JFGE CC(C)[C@H](CCN(C)S(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106772059 MAXUSGGWZJKKRR-HNNXBMFYSA-N 456.447 2.962 50 10 JFGE CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2139884854 KVNBNCCBFKIWLF-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC2(CCC2)C1 2163054074 UESUFADWGPPGAM-OAHLLOKOSA-N 466.442 2.860 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630323 ABKQNTIOWGMVFA-ZGKFYVQTSA-N 462.531 2.517 50 10 JFGE N#C/C(C(=O)CSc1nnc(SCC(N)=O)s1)=C1\NC(c2cccs2)=CS1 14246786 CWEVXHSQDKUVBE-JYRVWZFOSA-N 453.621 2.908 50 10 JFGE CC(=O)Nc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 27519322 VVUXTFSAMJKWBS-HGQHNSGJSA-N 482.500 2.503 50 10 JFGE O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccccc1Br 35551244 MTBHOZGBMNDSHT-UHFFFAOYSA-N 469.542 2.883 50 10 JFGE COC(=O)C1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)CC1 40794957 ZEGWVEJKAVCZDI-UHFFFAOYSA-N 460.538 2.723 50 10 JFGE COc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc(OC)c1OC 59463981 BLWQGTZWRPVXFQ-VULFUBBASA-N 497.573 2.881 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597537 DAOQRGJCVJDNHL-HZHRSRAPSA-N 465.422 2.634 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 703972698 GFGSTIVPIXENMS-QZTJIDSGSA-N 463.353 2.653 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 1084169117 CCAJONMXZFZHMC-OAQYLSRUSA-N 453.568 2.713 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2006878029 PTOQSNPJWUHRBZ-NSHDSACASA-N 471.295 2.698 50 10 JFGE O=C(c1cc(I)sn1)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2135057648 DMPUISVPQSFSNQ-FXBDTBDDSA-N 457.131 2.762 50 10 JFGE O=C1CN(C(=O)c2cc(Cl)ccc2I)CCN1CCBr 2171080107 YEKBBWMPCMAWDC-UHFFFAOYSA-N 471.520 2.624 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2320417189 RVCJGZPUFZBANV-SECBINFHSA-N 490.917 2.720 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)ccc1Br 12502909 BLUKLWBBEHDDQS-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)c1 13976881 WLPXQIVBHJUXEX-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C/c2cnc3c(c2)c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 96402565 FBXSOGCXYLMJBM-WBNHJWIASA-N 451.508 2.654 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(=O)[C@H]2O[Si](C(C)C)(C(C)C)O1 196779630 TWLMWUCVJNOKKT-LSTHTHJFSA-N 484.698 2.960 50 10 JFGE O=C(/C=C\c1ccccc1)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254871332 WKMCHWQUDLVCLX-VLSIVNTQSA-N 452.514 2.926 50 10 JFGE COc1cc([C@@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OC1CCCC1 725872311 DGILDMLRPCJACL-CQSZACIVSA-N 460.556 2.900 50 10 JFGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3C[C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 1615029656 WZQWRHWLQPEBFF-IHRRRGAJSA-N 451.600 2.797 50 10 JFGE C=CCCONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1647929184 STAQVIBTZRGRHE-PTNGSMBKSA-N 458.316 2.719 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748981 ZVVPXYOVBYIMCP-UHFFFAOYSA-N 470.507 2.583 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H](Br)C1CC1 1942839784 SOCDTEYZAOGDGY-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE CC[C@H](C[C@@H](C)Br)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539889 CGYJCZCMXDBWDB-VFVRVIDISA-N 463.369 2.882 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCBr)CC1 2046022985 OJPDDUOVTRETND-IBGZPJMESA-N 475.380 2.838 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 2170215792 JQBGKIFUUAODJI-SNVBAGLBSA-N 453.118 2.538 50 10 JFGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cnn(CCBr)c2)C1 2179823981 PMGAPHJAIXQEHP-SFHVURJKSA-N 455.422 2.953 50 10 JFGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835159 DXYSAIOQAFOHFT-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE CC(=O)c1cccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c1 40593523 RFEOYAMZXJNYJY-UHFFFAOYSA-N 451.399 2.925 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 40969564 FGVKPNJPLHDXMD-CXUHLZMHSA-N 454.395 2.700 50 10 JFGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])CC2)c1C 54520660 DTPXQIKUNVWCJW-UHFFFAOYSA-N 492.496 2.993 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)sc2c1CC[C@@H](C)C2 254623919 LRNSJDCOTHRONC-CYBMUJFWSA-N 487.534 2.602 50 10 JFGE Cc1nc(I)c(I)n1-c1ncncc1CCl 1936388039 HULLOZHRWDETAS-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE C[C@H]1C[C@H]1N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002033950 BZWZGRUVFNWOIC-WMLDXEAASA-N 457.390 2.888 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H]2Br)c(Br)c1 2076166040 VSKOCGDIPPACAQ-CAHLUQPWSA-N 462.989 2.856 50 10 JFGE O=C1CN(C(=O)c2ccc(I)c(Cl)c2)CCN1CCBr 2171079275 LZDRJAAYHQBGSS-UHFFFAOYSA-N 471.520 2.624 50 10 JFGE O=S1(=O)C[C@H]2C([C@H](Br)c3cc(I)cc4c3OCC4)[C@@H]2C1 2174597527 QJMLTOIQEHPYLL-NQBHXWOUSA-N 469.138 2.953 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CC1(CBr)CC(F)C1)C2 2280359418 MJDUEXNOYMQQOW-PPSBMQLTSA-N 451.377 2.838 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2339881238 MWYGWDRIIGTBNN-AREMUKBSSA-N 484.361 2.568 50 10 JFGE C=C[C@@]1(CCl)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364201940 MPGUAYCLEXMRIV-OAQYLSRUSA-N 454.976 2.669 50 10 JFGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)n2n1 20286973 VCNUZCBFDIXQTL-UHFFFAOYSA-N 486.580 2.775 50 10 JFGE O=C(NN=Cc1coc2ccccc2c1=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254439295 PZKFWUYVBANQRO-UHFFFAOYSA-N 460.490 2.944 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1CBr 687602997 ZGLWSGKWROSVCT-SNVBAGLBSA-N 491.043 2.911 50 10 JFGE O=C(CCc1nc2ccccc2oc1=O)NNC(=O)c1ccc(Br)cc1Cl 728832302 LFIHITJYZMEAGB-UHFFFAOYSA-N 450.676 2.998 50 10 JFGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1 1673820331 YAYIEBMSGNYFFZ-UHFFFAOYSA-N 459.547 2.958 50 10 JFGE CN(C[C@@H](Br)C1CCCCC1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2002420273 WBBNUGSTAIRCGO-QGZVFWFLSA-N 457.390 2.888 50 10 JFGE Cn1cc(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(CCl)n1 2059435315 HOKYEQLOFODATI-UHFFFAOYSA-N 475.014 2.909 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2090181613 HBCVBCVKFFJKSO-ZDUSSCGKSA-N 493.370 2.991 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@](C)(CO)C1 2163050571 LARXGXXDPPDXBK-GOSISDBHSA-N 463.394 2.574 50 10 JFGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2214801428 QTWCTSCJLHNBCW-KEYYUXOJSA-N 457.390 2.886 50 10 JFGE C[C@H](CBr)CC1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2222871286 ZVUYJNKYFDMFRE-DJJJIMSYSA-N 475.380 2.694 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)cc1B(O)O 2301664593 LUIDLONIYRSMHX-QFIPXVFZSA-N 478.379 2.670 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2314905722 PIFMHVCLGJIJTC-AGRHKRQWSA-N 473.364 2.590 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2320396624 DNFSSISUXQLOBR-SECBINFHSA-N 490.917 2.720 50 10 JFGE N#CC(=CNCCCN1CCCC1=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599102 UWDFHAZUARGIPS-UHFFFAOYSA-N 471.605 2.930 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629900 PFMYXWJTOCKHKH-CYBMUJFWSA-N 464.316 2.641 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3Cl)c2N)cc(C(=O)OC)c1 40705810 VSNOIBOTIMMZQK-UHFFFAOYSA-N 470.873 2.786 50 10 JFGE CCOc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254378493 IHDRXWSUURQEPM-UHFFFAOYSA-N 470.526 2.882 50 10 JFGE CC[C@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310153473 NPYDDGMKFOAFEQ-QMMMGPOBSA-N 480.471 2.697 50 10 JFGE O=C(CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084462808 RJVMUWGTARVSLA-UHFFFAOYSA-N 463.475 2.701 50 10 JFGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(Cl)cc1 1084612520 NBDGDCZCYRHSKX-UHFFFAOYSA-N 489.857 2.953 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1cccc([N+](=O)[O-])c1 1084622725 KRTYCDDQTUNQKC-UHFFFAOYSA-N 483.462 2.849 50 10 JFGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1866128783 LRQMTMVHZVOKMA-ATEOEAFZSA-N 493.317 2.756 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 1926398704 GCCOZZFCVOAJSW-AWEZNQCLSA-N 469.401 2.888 50 10 JFGE C[C@H]1C[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1950518491 BODOINCTFITIDJ-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2117739009 XETYGFIZYOQLMK-QFBILLFUSA-N 487.391 2.980 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CCBr 2216470699 NAFLRXLSOSVLKY-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE CN(Cc1ccc(B(O)O)s1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248898356 ANMYXQVFFANJQI-UHFFFAOYSA-N 478.379 2.705 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2256642300 WWHFBQAWQRDSQP-RUZDIDTESA-N 472.350 2.546 50 10 JFGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2338850649 UUZLIRJSPOHMDN-JCGIZDLHSA-N 487.416 2.703 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNc3ccc(F)c(F)c3F)CC2=O)cc1 727758467 FWWLPFUDQOROMX-ZDUSSCGKSA-N 484.500 2.631 50 10 JFGE C#CCCCC(=O)NNC(=O)c1c(I)ccc(Br)c1F 1597394025 JLXUPAZKFVMEDQ-UHFFFAOYSA-N 453.049 2.757 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 2046019041 LWCIFPBPGNVOOA-FZKQIMNGSA-N 473.364 2.590 50 10 JFGE ClC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@@H]2O1 2265015910 HCQNJBHDLLWZSF-IEBDPFPHSA-N 459.509 2.660 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2268603682 STDCRKNGUJZLRI-SANMLTNESA-N 484.361 2.772 50 10 JFGE CN(Cc1cccc(I)c1)S(=O)(=O)c1n[nH]cc1CBr 2280351146 FIMLNUVNVYDVHX-UHFFFAOYSA-N 470.130 2.730 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 13976809 UTUORADIYWAWGI-UHFFFAOYSA-N 462.959 2.722 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1I 13978644 FTALYNZUFLFHOD-JXMROGBWSA-N 495.342 2.957 50 10 JFGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535049 XRPORPHLPUIXRH-FZKQIMNGSA-N 463.369 2.834 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2070143476 VREOOTKZSBUNNQ-SCLBCKFNSA-N 473.364 2.590 50 10 JFGE CC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2106303028 QCIJLZRPWZOQBG-QGZVFWFLSA-N 454.431 2.860 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2106775206 VKKLMWJQZVMXFL-DZGCQCFKSA-N 454.431 2.668 50 10 JFGE O=S(=O)(C[C@H](Cl)c1cc(Cl)ccc1I)N1CCOCC1 2145632790 LQWSINIFMWQFGL-NSHDSACASA-N 450.125 2.887 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1C2 2188298597 LMGIQXKNDVZOOM-DEYYWGMASA-N 466.442 2.764 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 14012661 SURIRLRXHWMBQJ-UHFFFAOYSA-N 499.330 2.648 50 10 JFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])cc1 40658717 IWIZTPIIXAZNFN-UHFFFAOYSA-N 493.505 2.909 50 10 JFGE O=C(O)C1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40659391 POEQMSHXTOWHMX-UHFFFAOYSA-N 476.493 2.961 50 10 JFGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1O 58990098 SXZBMHOAUJGOIF-BUVRLJJBSA-N 454.556 2.514 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596816 WEQPFTCACQLZDY-NLRVBDNBSA-N 464.453 2.978 50 10 JFGE CCOC(=O)Oc1ccc(C=NNC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1OC 254739132 USVSHIYGVSVTBV-UHFFFAOYSA-N 483.521 2.755 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)Cc2ccccc2)cc1 1084415605 DETYYNPUPSXBEI-UHFFFAOYSA-N 481.530 2.735 50 10 JFGE C=C(C)CONC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1686938366 QPBOKWTYIMRADP-UHFFFAOYSA-N 451.571 2.622 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@](F)(CBr)C1 1917122368 FIUHTHJHUAHCEJ-GOSISDBHSA-N 461.353 2.592 50 10 JFGE CN1CCC[C@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2007642951 GNLWPDMTRIMNKW-APPZFPTMSA-N 451.149 2.608 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2078432201 ICRFXLRBJDJVTK-VBQJREDUSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CCl)C1 2176634649 DZYBKXKFZDLXCF-XUVXKRRUSA-N 460.930 2.774 50 10 JFGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2189325632 UQTOVHSXGQIVCF-SANMLTNESA-N 488.470 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CC2 2220272308 ABNZDYGPBLLZJM-ACJLOTCBSA-N 473.364 2.733 50 10 JFGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296507050 QTGLIOANOQZSKG-IAGOWNOFSA-N 464.528 2.538 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296731366 RKGUIQYYNGPQQR-RTBURBONSA-N 457.534 2.840 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 2313616998 MPQCUJFDBOHJLP-UHFFFAOYSA-N 464.341 2.572 50 10 JFGE C[C@@H]1CO[C@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338691924 XWQLIXZMEYTELM-RNFRBKRXSA-N 459.964 2.570 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2364029404 PJIMBFIONHCFHH-BWZBUEFSSA-N 471.975 2.712 50 10 JFGE CCOC(=O)/C(C#N)=C\C(C#N)=C(\N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 34796000 CQNNKEBRNICGLP-IBDJVDDMSA-N 454.840 2.583 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59157417 SDQZMTWRFIOTMC-YYDJUVGSSA-N 475.417 2.949 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206640805 SAVORQJSAAXFRL-MLPAPPSSSA-N 455.496 2.682 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)c1-c1ccc([N+](=O)[O-])cc1 254399849 DDUMNOXGWMBCIP-UHFFFAOYSA-N 487.358 2.590 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)F 717766672 CWMFKFHEPBJYLW-NSHDSACASA-N 467.332 2.647 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 1563190195 OFYOZGCHHQKYGG-CQSZACIVSA-N 454.483 2.867 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)Cc1ccccc1 2089706901 HTLRHBMOPSZRJL-KRWDZBQOSA-N 479.396 2.988 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106306553 ZWKYKRUTOLDIOV-UKRRQHHQSA-N 454.431 2.764 50 10 JFGE C[C@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2115934781 DJZYYGASMAKIJG-UONOGXRCSA-N 454.431 2.573 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CCl)C[C@@H]1C(F)(F)F 2192580552 HSYIVWWHPVWWIC-RRQGHBQHSA-N 470.872 2.738 50 10 JFGE O=S1(=O)C[C@@H](I)[C@@H](OCc2c(F)cc(Br)cc2F)C1 2271572830 ZJXLXMVFVJPBQE-MNOVXSKESA-N 467.069 2.845 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310041374 UKDVUMNEMPLHED-USJZOSNVSA-N 469.401 2.934 50 10 JFGE CC[C@@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325092314 OIAWKHFSULEVAF-DNQXCXABSA-N 472.655 2.591 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C[C@]1(CBr)CC1(F)F 2379980929 APIMBRGYHQLBBB-IAGOWNOFSA-N 452.340 2.608 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)C12CC3CC(CC(C3)C1)C2 20837454 UMVAXAKIOWDQHN-NUGSKGIGSA-N 459.498 2.611 50 10 JFGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2I)cc1 1455273143 IDWQDYYYJWYXIS-UHFFFAOYSA-N 457.293 2.512 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771748 GRSNLYKSJLPMMJ-CABCVRRESA-N 468.579 2.933 50 10 JFGE CC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2106303027 QCIJLZRPWZOQBG-KRWDZBQOSA-N 454.431 2.860 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2108226978 CEWBJKAGDIFRSA-UDUZWTERSA-N 487.391 2.979 50 10 JFGE CN([C@@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)N1CCC(Br)CC1 2185894531 XKAMEQGGSPFNMW-OAHLLOKOSA-N 466.442 2.812 50 10 JFGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2213913859 AHGIMVJFQIWONJ-OAHLLOKOSA-N 457.390 2.888 50 10 JFGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250978373 OFDULRGGIQGQIT-HZPDHXFCSA-N 457.390 2.886 50 10 JFGE Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 12571402 GQFNJSJZPQTOFN-UHFFFAOYSA-N 491.161 2.828 50 10 JFGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623549 YEWMZLIODJQPJE-HXUWFJFHSA-N 482.606 2.796 50 10 JFGE O=C(/C=C\c1cccc(Br)c1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 96585287 QBBMSNMOIIDHDK-KTKRTIGZSA-N 471.399 2.818 50 10 JFGE COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313700 ASEHWQFAUBPQPY-OMNSNBSWSA-N 499.637 2.794 50 10 JFGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 1858082010 YJHULQNBRAYENI-UHFFFAOYSA-N 488.566 2.956 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccco2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003001 BJTMXLTWIBFZFJ-UHFFFAOYSA-N 477.426 2.777 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccc(Cl)cc1 1860770471 JROBDFCXIYAEMN-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@H]1CBr 1942095814 WCOBHWMMUHPLME-LSDHHAIUSA-N 457.390 2.793 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2133337830 SHSKGWSWTMBAPB-GJZGRUSLSA-N 454.431 2.906 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](C2(NS(=O)(=O)N3CCC(Br)CC3)CC2)C1 2162598588 BKUMCUFHYIVILR-CQSZACIVSA-N 466.442 2.860 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2256629063 PVLLTKYSTWPQRL-VOIUYBSRSA-N 492.406 2.998 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC)cc1 9695917 BMDNNKNYIUWIJL-UHFFFAOYSA-N 465.300 2.865 50 10 JFGE COC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14767152 PHPORJLIWMBVGQ-UHFFFAOYSA-N 452.330 2.946 50 10 JFGE Cn1c(/C(C#N)=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)nc2ccccc21 34990558 BICGAQQUOHRUBY-VLGSPTGOSA-N 468.517 2.989 50 10 JFGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 206489729 IQDXXCMDKMPQFA-LGMDPLHJSA-N 461.474 2.720 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1CBr 703991287 SLYGTGJTIYSYSR-CJNGLKHVSA-N 457.390 2.792 50 10 JFGE CC(C)(C)OC(=O)[C@H]1CC(C(=O)NNC(=O)c2cccc3cccnc23)=NN1c1ccccc1 728965060 PSZMNDYSHMJORK-HXUWFJFHSA-N 459.506 2.972 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1OC 1865757928 BAFFKTHVQJTFAJ-HNNXBMFYSA-N 488.500 2.520 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H](CBr)C1 1942374985 LSVRXDKZDJTPOZ-UONOGXRCSA-N 457.390 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1CC(CBr)C1 2002988085 DTXWFMHMICQCLY-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE C[P@]1(=O)C[C@H](Br)[C@H](NC(=O)c2ccc(I)c(O)c2)C1 2121336401 GLJHGJSRIREEJC-MZXNSHFHSA-N 458.030 2.865 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2256679278 VSYQPUNIOSTGSS-VOIUYBSRSA-N 473.338 2.653 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2268602933 NEPLITUJHAGTIA-SANMLTNESA-N 484.361 2.819 50 10 JFGE N#Cc1cc(B(O)O)ccc1NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2301347020 XARGXWFYCXQBBW-UHFFFAOYSA-N 457.295 2.510 50 10 JFGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=NNC(=O)Cc1ccccc1 2314397487 RDDUYFHASPJXFQ-UHFFFAOYSA-N 451.504 2.882 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2)c(Br)c1 12501977 ZBDDFKAOLZLNMD-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629961 PCMQDWLNFHRRLX-CQSZACIVSA-N 478.343 2.887 50 10 JFGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O 205669500 RAJBGPZOQRMZRL-UVLLPENVSA-N 485.617 2.720 50 10 JFGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)c(=O)c1C#N 254746643 GMIQFRDTPDIQIG-UHFFFAOYSA-N 462.462 2.592 50 10 JFGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254906469 ULFMKSMZXAYWAL-UHFFFAOYSA-N 459.514 2.756 50 10 JFGE COc1cccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1O 263628236 YMIVMEKFIXWLMJ-UHFFFAOYSA-N 453.520 2.742 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 727501200 MQBZOZJFTRTGTE-UHFFFAOYSA-N 477.011 2.740 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(F)cc1 754512657 AHHVGKZVNAAJCL-LICLKQGHSA-N 472.480 2.725 50 10 JFGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)ccc1OCC(=O)N(CC)CC 1865707007 LKGNQPQNFQUWBU-OAQYLSRUSA-N 453.543 2.847 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(Br)C2 1922798168 NTUHUZSZJYRNJN-GJZGRUSLSA-N 455.374 2.783 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 2032260092 OPNVHGNEZCMAJD-INIZCTEOSA-N 469.401 2.888 50 10 JFGE C[C@@H](NC(=O)c1cc(I)sn1)c1nnc(CBr)s1 2072472451 AIZPLJDFQYSRQO-SCSAIBSYSA-N 459.132 2.985 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2102180221 HQXUUIBGQBRQJU-HAFWLYHUSA-N 451.589 2.947 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2179807998 CAIVGZWGBHNCOE-SJORKVTESA-N 453.406 2.756 50 10 JFGE N#CC(=CNCCc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324197002 WRRIXJAKISZCJA-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE CC1(C)CC(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC(C)(C)N1 40645235 SZEOZELEVAOKIS-UHFFFAOYSA-N 472.506 2.700 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 100239138 MKPMNZFVMWYSAP-KASFUZSGSA-N 496.589 2.682 50 10 JFGE O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 103795884 BINSKPUELGOPMN-KHAGQWAKSA-N 485.319 2.975 50 10 JFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1OC 254589919 MRLJRNUYKBDGRE-UHFFFAOYSA-N 494.537 2.614 50 10 JFGE O=S(=O)(N[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 323339721 XIEMDHAIXZACOY-IUCAKERBSA-N 463.973 2.652 50 10 JFGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1540297388 SQHQTZIAOVVFBK-VXKWHMMOSA-N 471.579 2.558 50 10 JFGE C=C(CBr)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618540507 VJBAVLWHYVTOLK-SJORKVTESA-N 457.413 2.805 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770275 BAEDUUACYVKVBO-KBPBESRZSA-N 490.607 2.552 50 10 JFGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1[N+](=O)[O-] 1865851401 ASCUCBPSEHLNOE-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C1 2106777086 PBNJLSJXUHIYCS-ZJWNCGCPSA-N 451.438 2.813 50 10 JFGE CN([C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106782878 UWZJHCUZBFGSBG-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2301665717 YEEAYJBLQGOORU-HXUWFJFHSA-N 479.729 2.671 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(B(O)O)cc2F)CC1)OCC1c2ccccc2-c2ccccc21 2302691053 PKGKAGACIMPRIU-UHFFFAOYSA-N 460.270 2.515 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2330955098 CEWBJKAGDIFRSA-QIYDDFJZSA-N 487.391 2.979 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(CCl)C[C@@H](C2)C1 2368376790 PCEYMYSJDMGLEQ-CKJXQJPGSA-N 456.967 2.928 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 12573096 UXMWKJKIQOJETN-UHFFFAOYSA-N 463.357 2.812 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999250 BCCUJZGEAFIFTR-UHFFFAOYSA-N 484.578 2.627 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1cccnc1 58989600 MZRTYJUXHYTJIR-SSDVNMTOSA-N 460.361 2.839 50 10 JFGE COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N/C=C1\C(=O)N(C)C(=O)C(C#N)=C1C 101123885 QZQVYMFCOWMEKX-AQTBWJFISA-N 466.519 2.939 50 10 JFGE N#C/C(C(=O)c1ccccc1)=C1\SC=C(NC(=O)CN2CCC(C(N)=O)CC2)N1c1ccccc1 101771698 SPOHLYVNEVMQNH-YYADALCUSA-N 487.585 2.970 50 10 JFGE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(OC(F)F)c1 728612592 VQZOBXYHSUMVEG-KRWDZBQOSA-N 452.433 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045141367 GDVLKVBJJRPXGU-VKJFTORMSA-N 469.401 2.888 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CCC1 2046025949 NCYZUNIUTGXJFP-AUUYWEPGSA-N 475.380 2.741 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]12C[C@@H](CBr)C2 2061792668 GFGZSQVTYKFZAI-OYOVHJISSA-N 469.401 2.888 50 10 JFGE C[C@H](COC1(CI)CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1 2066646223 UTNBNPUEXOKARF-OAHLLOKOSA-N 468.376 2.928 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@H](O)[C@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080453571 OUJYNPNQUGYAMJ-VOSKUFLISA-N 476.566 2.693 50 10 JFGE C[C@H](Br)CN1CCCN(C(=O)c2cc(I)sn2)CC1 2120333282 HCIFGHICNOIUBS-VIFPVBQESA-N 458.163 2.679 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162603031 SNOCDPIZDRKGIL-FZKCQIBNSA-N 461.378 2.540 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2268627934 AFUKMHQIZUZWLL-RUZDIDTESA-N 490.340 2.685 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](OCCBr)C1 2338863089 FOIUJSVJQNQNRP-ZETCQYMHSA-N 459.964 2.571 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736645 FQGBQNQXSXYCJW-UHFFFAOYSA-N 454.552 2.736 50 10 JFGE CCC(=N/NC(=O)COc1ccc(OC)cc1)/C(CC)=N\NC(=O)COc1ccc(OC)cc1 102929859 LRDPVNHBDNJTJY-ORFRIDJFSA-N 470.526 2.926 50 10 JFGE COCCCNC(=O)C(=O)NN=Cc1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 252629327 UDPOYCXKIVNWBO-UHFFFAOYSA-N 481.336 2.614 50 10 JFGE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)CCOc4ccccc4)CC3)cc2NC1=O 727477886 QCTAVBRLWURBRG-INIZCTEOSA-N 480.521 2.511 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 1087668924 CAOIVXWEBUENPE-CABCVRRESA-N 454.474 2.872 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)C1 1865851557 DWTFQLWMWVJFHA-KBPBESRZSA-N 491.614 2.596 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)C12CCC2 1914428307 PRTUOVMZJGZKAN-INIZCTEOSA-N 455.374 2.785 50 10 JFGE Cn1nc(C(=O)N2C[C@H](Br)[C@H](Br)C2)c(Br)c1Cl 2019461975 URPFEEKWQVZGBV-SYDPRGILSA-N 450.356 2.819 50 10 JFGE Cn1nc(C(=O)NNC(=O)C=Cc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 2040437269 OMXQGWAGGYLCNX-UHFFFAOYSA-N 454.486 2.987 50 10 JFGE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 2297232881 QPTAJBPEYAGLAK-UHFFFAOYSA-N 474.495 2.786 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC([C@@H](F)CBr)C1 2316827121 NVYQXZFPUUDBHI-KRWDZBQOSA-N 475.380 2.838 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CC[C@@H](CBr)CO1 2364007099 NRINIFUUZCAZRY-JGVFFNPUSA-N 473.991 2.865 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Br)cc1Cl 13977995 BIKZDWVLNJJXSQ-UHFFFAOYSA-N 458.652 2.616 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 32307868 WNVOUBAWLIELCM-XLSLOCCASA-N 450.520 2.646 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3ccc(OCCC)c(OC)c3)n[nH]2)c1C 1463650645 KQBAXXFXUFDUPR-UHFFFAOYSA-N 452.515 2.948 50 10 JFGE C=CCCONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1647929185 STAQVIBTZRGRHE-RVDMUPIBSA-N 458.316 2.719 50 10 JFGE C[C@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771721 FZYJNJJZSZIZGE-RUNBWSAHSA-N 467.507 2.667 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1cncc(Br)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772142 SKGCGFNRBBLJOU-JTQLQIEISA-N 476.356 2.517 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)C1 1865851426 BNSOUCQHBWWHOH-GHMZBOCLSA-N 473.486 2.652 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)F 1998353013 OSQOOXSOIHHLSJ-KRWDZBQOSA-N 467.332 2.647 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCBr 2000545520 SGRVXHPOCGJTCO-ACJLOTCBSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2006468831 BQZFECYPUHNROY-SHTZXODSSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2026560325 JBSUHYWIIFAGJD-RBUKOAKNSA-N 455.374 2.547 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058375183 YNIGWTMGBGVHBN-LKTHJCGVSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNS(=O)(=O)N1CCC(Br)CC1 2106296423 RNPVBFCDJLLIKV-HNNXBMFYSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)CC2 2106772197 MMUYUNBTHYVGLX-GJZGRUSLSA-N 452.415 2.564 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122790322 NCXLXRCCMWDOEL-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE C=CC[C@@]1(CBr)CCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2250465366 YGULBYKIYQELMJ-IBGZPJMESA-N 455.374 2.808 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297312516 NYEAOJAAKAVJQG-UHFFFAOYSA-N 461.590 2.596 50 10 JFGE CN1C(=O)C(=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 2297451084 FTAZTIAFNYPPAC-UHFFFAOYSA-N 468.469 2.683 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2364214642 OMNJZKHCYIIVFO-MCPYQZEQSA-N 499.427 2.515 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 14027376 QDHJTORKRRNURY-UHFFFAOYSA-N 465.300 2.539 50 10 JFGE C[C@@H](Sc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)C(=O)NNC(=O)C1CCC1 59879250 KXLKJCNZSCGVQT-GCYXGZDWSA-N 456.359 2.986 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 727727501 FJXSOWPNVKKSHV-LLTLSCRYSA-N 492.624 2.968 50 10 JFGE Cc1csc(CC(=O)NNC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1 728720247 COEAHIGHERUWNW-GIJQJNRQSA-N 495.536 2.838 50 10 JFGE C[C@H](Sc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)C(=O)NNC(=O)C1CCC1 1084395652 KXLKJCNZSCGVQT-VIFPVBQESA-N 456.359 2.986 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2OCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@@H]2C1 1260505392 CXVGIELQCYRUOQ-HZPDHXFCSA-N 461.378 2.590 50 10 JFGE Cc1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1N(C)C 1860770930 CERBFYFSNROESG-UHFFFAOYSA-N 461.547 2.961 50 10 JFGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@H](S(C)(=O)=O)C1 1905171944 RRTBTHHZUPLKIB-HUBLWGQQSA-N 461.362 2.545 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H](Br)C1 2000532426 JOIRGZHEKKYITE-LXIYXOSZSA-N 461.353 2.636 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CCl)OC2(CCC2)C1 2165764158 ILUWKVWDMMUKJE-INIZCTEOSA-N 454.976 2.645 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189041454 BDMDFRWQEFDFDE-GDGBQDQQSA-N 454.077 2.912 50 10 JFGE CO[C@@H]1[C@H](OC)CN(c2ncc(I)cc2Br)[C@H]1CCl 2225080175 FMOQOEHFBTXVAH-AXFHLTTASA-N 461.525 2.906 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2290219162 CAVPFZVXVGZESA-GDBMZVCRSA-N 466.442 2.812 50 10 JFGE FC(F)(CI)C(F)(F)CN=c1[nH]cncc1I 2299786383 CZDQBEIIIQARIW-UHFFFAOYSA-N 474.965 2.621 50 10 JFGE Cc1cc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1B(O)O 2302868760 VOKZBPRVKVNVJO-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1ccc(Br)cc1I 2303598159 YPIYCMQTIFPCNA-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(CCOCCI)C2)C1 2306799379 NDZFSVBTARBRBZ-QGZVFWFLSA-N 454.349 2.540 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2320949507 DHYIRLMXZPKNGL-KGLIPLIRSA-N 483.306 2.793 50 10 JFGE CO[C@@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851021 WPSLGEQATVHXOB-HXUWFJFHSA-N 487.416 2.659 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 14661428 UQYGOUOKSZAPDA-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE CCCCn1nc(C)c(/C=C\C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1Cl 209671142 NXXNQUYVBRCWDB-QXMHVHEDSA-N 456.934 2.849 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Br)CC1 703998529 CEQVZIOSBIZNHM-CQSZACIVSA-N 457.390 2.888 50 10 JFGE C#CCN(CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1)C(=O)OC(C)(C)C 1472470149 RZWYJXAJSPRWRZ-UHFFFAOYSA-N 451.523 2.674 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 1873777837 UARONCMXXAESRL-GOSISDBHSA-N 469.501 2.878 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](CBr)C1CC1 1942322034 AICABJGUIBCCNU-OAHLLOKOSA-N 457.390 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)c1ccsc1 1982719090 KXFIIDWNGHIIDD-HNNXBMFYSA-N 457.371 2.790 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCCC1 2106303989 ZXJGNRQXFURNAW-OAHLLOKOSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2169635799 VGJXAPQMDRPKBO-RDTXWAMCSA-N 466.442 2.860 50 10 JFGE CN(C)[S@](=O)(=NCCCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2248241678 PJEKNXWAICXFHM-XMMPIXPASA-N 474.409 2.614 50 10 JFGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2248898941 HHBUYOGDTIGMFF-INIZCTEOSA-N 478.379 2.924 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2301664402 KEXMICJERKSOKQ-HXUWFJFHSA-N 479.729 2.671 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2)cc1I 2313607154 CLIAFJQHKLYFON-UHFFFAOYSA-N 481.315 2.649 50 10 JFGE CCOc1cc(C(=O)NCC(=O)NN=Cc2cccc(OC)c2OC)cc(OCC)c1OCC 254416367 XYXJOLDVIZHBCR-UHFFFAOYSA-N 473.526 2.780 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1 1084228144 HACZUUCDZHSQKO-UHFFFAOYSA-N 453.371 2.978 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)c1 1594437964 VVOYGBUHCYDOBG-LJQANCHMSA-N 454.577 2.600 50 10 JFGE C#C[C@@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1627413971 ATFRHUIDUAWMOQ-QFXGEWDLSA-N 453.502 2.832 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1cccc(Cl)c1 1860770592 OQYCFLYXMBOGAH-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(S(=O)(=O)CI)CC2)C1 1990088562 QNXDMDNIHNZVKA-CYBMUJFWSA-N 458.362 2.678 50 10 JFGE O=C(O)C=Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1 2040454305 OJIZXTOIVRLYSM-UHFFFAOYSA-N 482.514 2.866 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2106781207 FZNMEODQJMJSQP-AWEZNQCLSA-N 452.415 2.612 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C[C@@H](F)C1 2213904667 WOUXFQGQPCUYBI-UONOGXRCSA-N 461.353 2.590 50 10 JFGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 2296546090 LYMBHAGMRVKOLS-HDICACEKSA-N 464.547 2.955 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccs1 2313619986 HECULDITFQJNRN-UHFFFAOYSA-N 454.371 2.933 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1scc(Br)c1Br 2314173041 NUPFBHVEQQETDC-UHFFFAOYSA-N 484.029 2.813 50 10 JFGE N#CC(=Cc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 2314760074 DROMTLUPWMDESH-UHFFFAOYSA-N 455.426 2.705 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 2206243 XSZLWPFQTJUZNM-KRWDZBQOSA-N 460.284 2.513 50 10 JFGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCCCN3CCOCC3)c(C)c21 40813110 ZDDHNSAKNXLNEG-ZXVVBBHZSA-N 468.554 2.519 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C1(C)C 703991660 UOEXCZMYGSAYCS-OAHLLOKOSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)c2ccc(CBr)cc2)C1 1260513315 XBEADJWIAONKJV-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1 2044692244 YMAKGLUKMHSTHK-DEOSSOPVSA-N 455.396 2.893 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H](Br)C1 2046029896 UICVMZJGYVZIIU-LPMFXHHGSA-N 475.380 2.884 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2243685537 WQVQCUWHAQRZPG-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE Cc1c(Cl)cc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2267349044 OOHUQMKBFJQMMJ-UHFFFAOYSA-N 474.750 2.522 50 10 JFGE O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293199794 BGTXXLQSIGDUHY-UHFFFAOYSA-N 474.429 2.950 50 10 JFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 13623581 MYHCYNUDHINVOC-AWEZNQCLSA-N 465.362 2.678 50 10 JFGE Cc1cccc(OCC(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)c1 254806484 VCAYUUBPKXEWHT-UHFFFAOYSA-N 470.529 2.600 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 575599211 PLVDSZPBZKVBQN-DZKIICNBSA-N 478.706 2.735 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(CBr)cc1 703972332 AXUVDZOCWSSWDV-UHFFFAOYSA-N 451.342 2.687 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CCBr)C1 719992098 TVPBYKNBRPJJAX-CQSZACIVSA-N 489.457 2.841 50 10 JFGE O=C(NCc1cccc(COc2ccccc2)c1)NNC(=O)C1CCN(c2ncccn2)CC1 728946668 IEAGZPNSDUWJSP-UHFFFAOYSA-N 460.538 2.803 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730538888 BDMJDVPBBGGKRC-QGZVFWFLSA-N 479.320 2.815 50 10 JFGE COc1ccccc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 1084574368 AACGEYMVGBDXQD-UHFFFAOYSA-N 494.573 2.995 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(n2)CN(C(=O)OC(C)(C)C)CC3)c1 1594446662 APWJIBLFMVOQRS-UHFFFAOYSA-N 451.552 2.988 50 10 JFGE COc1c(Cl)ccc(Cl)c1C(=O)N1CCC(C(=O)NNC(=O)c2cccnc2)CC1 1858002184 PAWBZMFMUKQADN-UHFFFAOYSA-N 451.310 2.710 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CBr)CC1CCCCC1 1926747457 ZMKVSRSGPSIUAC-HNNXBMFYSA-N 457.390 2.936 50 10 JFGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096596 BXRGKDXZABJTFZ-QGZVFWFLSA-N 457.390 2.888 50 10 JFGE CC1(C)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1943856353 XFPGIRCNFLHKOG-CQSZACIVSA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CCC(CCl)CCl 1977700381 SBNCFQLLRWUFPC-UHFFFAOYSA-N 492.466 2.808 50 10 JFGE CC(C)(C)[C@]1(O[Si](C)(C)C)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@H](O[Si](C)(C)C)[C@]231 2060394441 JOLOPTLRBSAWFO-OLYQMGNGSA-N 470.667 2.975 50 10 JFGE C[C@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCOCC1 2066646190 UFXYBIFWHLLGJD-CRAIPNDOSA-N 468.376 2.928 50 10 JFGE CN([C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106771096 FTOFVIIOCZGFPH-GJZGRUSLSA-N 454.431 2.858 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179817190 OJWWHAWZRZPCMU-UXHICEINSA-N 456.450 2.792 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2317612507 HTZKYCLSCOKBOW-GKVSMKOHSA-N 472.350 2.861 50 10 JFGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)ccc1OCc1ccccc1 2323157551 RFFIUGRKSPDARO-ZDUSSCGKSA-N 455.496 2.501 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2361329019 OPVUUSZDSLUZNF-GOEBONIOSA-N 466.442 2.812 50 10 JFGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C1 10736609 RLCGSWYHOPKUDK-IRXDYDNUSA-N 468.579 2.920 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14660692 BYYHYADMTUSHGC-UHFFFAOYSA-N 472.567 2.646 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 102706705 PCQLHOUVUJEOFE-PJUFZAOUSA-N 481.603 2.874 50 10 JFGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 254481469 UEZLYZLAXDAQRK-AWEZNQCLSA-N 463.563 2.860 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CCBr 689311723 QTJNUHUYUXPTKR-AWEZNQCLSA-N 489.457 2.841 50 10 JFGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)CCOc3ccccc3)cc2c1C 726766942 TXWJCPPGUPSLEB-UHFFFAOYSA-N 463.537 2.560 50 10 JFGE O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)NNC(=O)c1cccc2cccnc12 726979083 HKQIBTRVCJFFHU-HXUWFJFHSA-N 453.930 2.906 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 1260512335 RHWCBISJDSDCRH-GOSISDBHSA-N 463.394 2.622 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2nc(-c3ccc(Cl)cc3)no2)cc1F 1444067468 XFVLDJVOLMCEST-UHFFFAOYSA-N 452.851 2.649 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771555 ABKCLMYWMBSXBW-HNNXBMFYSA-N 454.552 2.741 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2268552764 XLRSLLIAGWFTEV-LHHVKLHASA-N 487.391 2.884 50 10 JFGE CC(C)Oc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 2325888241 USGYXPAAPIOVSC-UHFFFAOYSA-N 466.563 2.985 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 9826306 HAIBQQSOVDENSH-UHFFFAOYSA-N 466.357 2.814 50 10 JFGE CC(=O)OC[C@H]1O[C@@H](SSc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17020259 WIYKKQWAAPSUAR-OBKDMQGPSA-N 472.537 2.510 50 10 JFGE O=C(CSc1nnc(-c2ccccc2)s1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 40947808 BUXOBEULOCXGIO-ZVHZXABRSA-N 497.602 2.685 50 10 JFGE COc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1O 59463983 SFLXVVBQMCXRFG-ZMOGYAJESA-N 453.520 2.569 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)ccc2O)sc2c1CC[C@@H](C)C2 254765488 RHDBYWOCEUBWLH-GFCCVEGCSA-N 459.524 2.853 50 10 JFGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 263632277 BCDOJZXOQOHOTI-UHFFFAOYSA-N 453.520 2.742 50 10 JFGE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NNC(=O)c1cn(C)c3ccccc13)CC2 731045984 JXPXDLFBUNDGJI-UHFFFAOYSA-N 493.564 2.505 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770480 KDRMBWCKJSLKSN-KBPBESRZSA-N 474.608 2.716 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2133824586 GTIAXWXELHMTLO-AUUYWEPGSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)NC1(C2CCN(S(=O)(=O)N3CCC(Br)CC3)CC2)CC1 2163058479 KSOFCDDIOWCHGM-UHFFFAOYSA-N 466.442 2.860 50 10 JFGE CC(C)[C@H](CI)NS(=O)(=O)Cc1ncsc1Br 2213761930 FZJJDLVJGBODNF-ZETCQYMHSA-N 453.165 2.785 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@H]2COC[C@]2(CBr)C1 2282806025 GCSNUAPVIBTXOZ-XPTSAGLGSA-N 454.077 2.914 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2306256037 GVBUOKHKXRTQPO-XKQJLSEDSA-N 455.374 2.640 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2306890015 JSFADBYQRVYXAS-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2364213586 HSKIMJGTBQAXRS-ZYSHUDEJSA-N 499.427 2.800 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)c(Br)c1 13978569 ZXPNFCLPPBYTIT-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 33783598 QJXICOFUMIYITC-MHWRWJLKSA-N 482.008 2.859 50 10 JFGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1C(=O)O)NN=C/C=C\c1ccc([N+](=O)[O-])o1 254856595 SKRKPPKMDHCGAA-LAUPZEIISA-N 460.384 2.879 50 10 JFGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 1084496625 WNTGCGAWWWTVRE-HXUWFJFHSA-N 472.545 2.752 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2N)c(O)c1 1084635485 WJKKBMOSUSWDHB-UHFFFAOYSA-N 467.599 2.571 50 10 JFGE CC#CCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1446924626 KQAOZUQTKYKJMG-WJDWOHSUSA-N 454.328 2.625 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)CC1 1772747689 SIMYRNJBPALROT-UHFFFAOYSA-N 496.520 2.921 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 1926404964 CDGUQLQDTFZHGW-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025562 KBNYAZCRSRKDRA-ORAYPTAESA-N 477.396 2.987 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCC1 2046028806 LITZGBWXLDMBKS-LJQANCHMSA-N 475.380 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2108230087 WUTRIVGMGMXNRO-APWZRJJASA-N 493.370 2.786 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2140563292 HBFSCIBJPJPJKF-QYBDOPJKSA-N 486.377 2.936 50 10 JFGE O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2162199348 KZRXEGAOPBXAFM-SFHVURJKSA-N 456.450 2.982 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Cl)C2(CCOCC2)C1 2174369736 XQALKVGIRUOSOT-GOSISDBHSA-N 454.976 2.503 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2256627734 BTLVWORMKPXWDX-VOIUYBSRSA-N 492.406 2.998 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289351617 XIYAUAZGPFXUBL-MPGHIAIKSA-N 499.427 2.513 50 10 JFGE COc1cccc(-c2c(C(=O)NN=C(C)C=Cc3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 2297510447 ZKWBGNKTWVVIHA-UHFFFAOYSA-N 487.524 2.793 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2310811883 QRWBOTPBBURZLR-RCJHGTSTSA-N 473.364 2.588 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(C)cc2)cc1I 2313619149 FTALYNZUFLFHOD-UHFFFAOYSA-N 495.342 2.957 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2317671852 REDIRNFZWJDEMY-QFIPXVFZSA-N 490.390 2.630 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229871 DYNZZRAZFCDTEU-LFYBBSHMSA-N 455.496 2.538 50 10 JFGE C=CCc1cc(/C=N\NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 39933916 JTGACLYZOKYVIV-NJCFKQHQSA-N 453.495 2.763 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])cc1 40657421 MJSABMVLTDIWQS-UHFFFAOYSA-N 486.286 2.970 50 10 JFGE Cc1c(C(=O)N2CCOCC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823023 WLGHOWWAJREVRO-HZHRSRAPSA-N 461.316 2.688 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 1084025695 MCPWOOJBEKBTQE-UHFFFAOYSA-N 499.520 2.951 50 10 JFGE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 1260505421 DZXWCSQKHSQZIO-OAHLLOKOSA-N 463.394 2.838 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2nc3ccc(Cl)cc3s2)cc1 1633956252 WYZHHYHPJAYOFL-UHFFFAOYSA-N 452.945 2.964 50 10 JFGE CCNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(SC#N)cc2)cc1 1859000638 QOJNPMSYFUROAA-UHFFFAOYSA-N 463.610 2.797 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1N(C)C 1860771528 ZJAIZNIVRDTBJI-ZFWWWQNUSA-N 467.595 2.979 50 10 JFGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1 1866812548 FVJWJOGDYBCRJV-FQEVSTJZSA-N 489.619 2.837 50 10 JFGE C[C@@H](CCCCCI)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1982189798 HIQCLJVASDKELY-AWEZNQCLSA-N 492.379 2.976 50 10 JFGE O=C(NCCOCCCI)c1ccccc1I 1997683124 LDVGGORNELOGLX-UHFFFAOYSA-N 459.065 2.863 50 10 JFGE C[C@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2004851540 YSNOEUGJAVVXMZ-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CCCN1CC[C@@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2056497453 SHGVGWXSFYKNNW-WPRPVWTQSA-N 465.176 2.998 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1CBr 2058375182 YNIGWTMGBGVHBN-DYIBVVGTSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)C[C@H]1c1ccccc1 2065729117 QZMCSHFWYUGDBO-GJZGRUSLSA-N 480.368 2.949 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2120125266 XIKVARKDWMRZNS-UXHICEINSA-N 487.391 2.982 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](C2(NS(=O)(=O)N3CCC(Br)CC3)CC2)C1 2162598587 BKUMCUFHYIVILR-AWEZNQCLSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2186721680 NVWIDGRSRORSQG-GFCCVEGCSA-N 480.347 2.574 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1ccc(Cl)cc1 13133506 JBETVXPVVZIUQF-UHFFFAOYSA-N 454.903 2.942 50 10 JFGE aggregator C=CCN1C(=O)c2ccc(C(=O)NNC(=S)Nc3cccc(Br)c3)cc2C1=O 16108178 OGFNVNSJCLYOII-UHFFFAOYSA-N 459.325 2.863 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)S/C1=N/NC(=O)Cc1ccccc1 33780596 YZLMRCOJOLNSBT-IWQUJPBHSA-N 481.530 2.891 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)CC1 40812207 AOGJTWCYNSUMOV-HKOYGPOVSA-N 453.499 2.744 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2O)CCC3)CC1 40826281 RDXMXWSNAFYSPH-KOEQRZSOSA-N 453.495 2.789 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 41012417 YPWBWGIWZVNYKJ-SRQUHQSVSA-N 463.446 2.988 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)c1 1632098267 JNWFIGBJXCMCLK-UHFFFAOYSA-N 450.520 2.565 50 10 JFGE Cc1nc(N(C)C)sc1/C=N/NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 1873496095 CFXFRYZUINKLBV-AFUMVMLFSA-N 451.552 2.977 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 1883275231 RKKZKIVTVVEOCF-CVEARBPZSA-N 487.416 2.562 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 1903702575 OHIKYKITTDBHJS-LJQANCHMSA-N 465.638 2.946 50 10 JFGE COc1ccccc1NS(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 2053515469 VJKKXRRFBSAMQR-UHFFFAOYSA-N 495.513 2.699 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2070143477 VREOOTKZSBUNNQ-UGSOOPFHSA-N 473.364 2.590 50 10 JFGE CN(C1(CNC(=O)OC(C)(C)C)CCCC1)S(=O)(=O)N1CCC(Br)CC1 2106777980 YWBKRSBGHFYNJB-UHFFFAOYSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2162590153 YOQGNQISOMOKER-MKZZRHPPSA-N 466.442 2.858 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178088054 VLWZKQZMDBSZEZ-DYLAAIIWSA-N 454.077 2.912 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2193294725 GDXJVKBZFYTQNW-ZQDZILKHSA-N 470.405 2.559 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1OC 2317657662 FFZOSHONSCYKBV-QFIPXVFZSA-N 474.322 2.631 50 10 JFGE O=S(=O)(CCCl)CCNCc1ccc(I)c(Br)c1 2325207730 RMVSVEZLYZMSAN-UHFFFAOYSA-N 466.566 2.797 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Cl)C[C@H]21 2364216792 RGQXFLBUCCDUOW-ATZDWAIDSA-N 454.976 2.643 50 10 JFGE O=C(CCC(=O)NNC(=O)COc1ccc(Br)cc1Cl)NCc1ccccc1 13978071 BOIZZOLZABPLQD-UHFFFAOYSA-N 468.735 2.725 50 10 JFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1 59880241 HANHBHPUPWAESJ-FBRGJASNSA-N 489.533 2.846 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 206992084 SXDUYXDFZLKRHE-YVLHZVERSA-N 478.457 2.699 50 10 JFGE CC(=NNC(=O)[C@H]1C[C@H]1C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 252623000 OHPMRYAXDPTKQM-KDURUIRLSA-N 452.427 2.520 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1540360979 LNPXIOWJTNHECX-OSPHWJPCSA-N 459.543 2.793 50 10 JFGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1681285874 ZGSMVCNRVFAGIV-MOPGFXCFSA-N 478.958 2.818 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771712 FKZOGJWHXDLUFV-CQSZACIVSA-N 470.551 2.523 50 10 JFGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046030068 VUUWTWPQKKLIEJ-ORAYPTAESA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CC2 2050618581 MUIHCFZUBCPMOQ-UGSOOPFHSA-N 473.364 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CBr)(CC(F)F)CC1 2068039532 ZUELMTAIBATQTK-UHFFFAOYSA-N 479.343 2.745 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2068383876 KUCFJWQJKIAPAP-JNAXZKDPSA-N 469.401 2.936 50 10 JFGE CN1CC(=O)N2[C@@H](Cc3c(n(C(=O)CCl)c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 2070223593 UHUVSFFJRVNGBH-HTAPYJJXSA-N 465.893 2.564 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179810339 DKQBLEZJIAPQRZ-FQEVSTJZSA-N 456.450 2.936 50 10 JFGE O=C(NOCCCNC(=O)c1ccc(Cl)c(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2255505363 WEERMUFSKBGHGM-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2316815300 LYLDPAATASSKEI-WBAXXEDZSA-N 469.401 2.888 50 10 JFGE CC[C@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325092315 OIAWKHFSULEVAF-RPWUZVMVSA-N 472.655 2.591 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1Br 2338863982 QWCIBFXDPAHDLX-XNMIDWLWSA-N 477.919 2.814 50 10 JFGE COC[C@]1(CBr)C=CCN1C(=O)c1ccc(I)c(O)c1 2379852257 UCCINWISFAOAEX-CQSZACIVSA-N 452.086 2.789 50 10 JFGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14031727 XLLJZRDWGOPBHV-LBPRGKRZSA-N 483.462 2.759 50 10 JFGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOC 14660519 BVVXWVLLHUOJSX-MRXNPFEDSA-N 459.568 2.940 50 10 JFGE COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 59464099 KTMBKPPQLWCMTF-ZMOGYAJESA-N 482.518 2.772 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1CCN(CCBr)CC1 125292872 QWEKHOQVBFTPRH-UHFFFAOYSA-N 452.621 2.865 50 10 JFGE CCCCOCCCNC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 216826735 QKTHIWWKFPMJEX-MSUUIHNZSA-N 485.006 2.503 50 10 JFGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217187971 ASHGXMVSGVHZQH-HUZQBFDWSA-N 482.606 2.985 50 10 JFGE CC(=NNC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1sc(N)nc1C 254833572 JYHMOOARKBTFQC-UHFFFAOYSA-N 450.571 2.753 50 10 JFGE COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727350097 FNQUPFFTGGLFBV-UHFFFAOYSA-N 476.457 2.954 50 10 JFGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 1083955328 LNQGCKOIJMYDDB-UHFFFAOYSA-N 494.479 2.949 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 1084436242 JCFGXQRDCVGNIO-UHFFFAOYSA-N 467.503 2.739 50 10 JFGE COc1cc2c(/C=N/NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(C(=O)O)n(C)c2cc1OC 1873793143 YKBBYIRVMNWFAS-ZWGXDWAISA-N 474.514 2.743 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CCl)C[C@H]1C(F)(F)F 1877501328 RVWAWHKZIRPAOR-RHSMWYFYSA-N 452.882 2.790 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2022922403 ZUJXYAJEZJCEAJ-GJZGRUSLSA-N 477.649 2.593 50 10 JFGE CC(C)C[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2057122953 OSDYVAKFZHXIRG-IFXJQAMLSA-N 477.396 2.987 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106295540 IKGPCZLZMKYUMW-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE CCN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106771051 FHFVJKMVAYLUSP-UHFFFAOYSA-N 456.447 2.963 50 10 JFGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108228270 OIQJMYALBVKQAC-JDXZSFBQSA-N 487.391 2.977 50 10 JFGE CN(C[C@]1(Oc2cc(B(O)O)c(Cl)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2294915159 CATFROFYQOHWIC-XMMPIXPASA-N 489.809 2.695 50 10 JFGE CSCC[C@H](NC=C(C#N)C(=O)Nc1ccc(I)cc1C)C(=O)O 2325406076 TVKBLORMFQCGMI-AWEZNQCLSA-N 459.309 2.742 50 10 JFGE Cn1ncc(C(=O)N2CC[C@H](Br)C[C@H]2C(F)(F)F)c1I 2361453502 XOANZPTXBRTBHH-XPUUQOCRSA-N 466.039 2.955 50 10 JFGE CC1(C)[C@H](CCl)OCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213298 GEQWDQDTWMCJOE-SFHVURJKSA-N 456.992 2.891 50 10 JFGE Cc1cccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(C)nn34)C[C@@H]2C)c1 8599013 SWUYLFQSAWAMFM-SFHVURJKSA-N 486.580 2.855 50 10 JFGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2C1=O 8911042 CXAXMWVIGJHKCQ-AAKUMTKESA-N 484.468 2.737 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2N)cc1 40759486 NACLGQIBSCEPOX-UHFFFAOYSA-N 485.570 2.598 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)c(OC)cc2OC)sc2c1CCCC2 254577590 QBZKWQDYDYXMEQ-UHFFFAOYSA-N 489.550 2.918 50 10 JFGE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)C1 912619394 HBLXRKLAGLBBQS-NLTDUBPPSA-N 485.581 2.924 50 10 JFGE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(B(O)O)c1 1887519226 SJZZIDNMGQNPDH-UHFFFAOYSA-N 480.373 2.723 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CBr)CCC1CC2 2009103896 WCSKVKLTGCTQHU-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2243675245 TXXDCTVBKIYYRB-CQSZACIVSA-N 464.714 2.886 50 10 JFGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2251026726 XUUKYNKKGGIUJL-IIDMSEBBSA-N 461.353 2.588 50 10 JFGE N#CC(C(=O)c1ccccc1)=C1SC=C(NC(=O)CN2CCC(C(N)=O)CC2)N1c1ccccc1 2294317197 SPOHLYVNEVMQNH-UHFFFAOYSA-N 487.585 2.970 50 10 JFGE O=C(NN=Cc1ccc(O)c(O)c1O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254589596 KHUBWTYTOXSIPC-FGVOEGPFSA-N 462.418 2.633 50 10 JFGE CC#CCN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1641702583 SCNZDEPBZBLSJQ-FOWTUZBSSA-N 454.328 2.577 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770958 DGOPONCAWIRFAX-RYUDHWBXSA-N 455.496 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2029212619 LGAOQGXAYVUOKO-JCGIZDLHSA-N 469.401 2.888 50 10 JFGE CC1(C)CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106777600 VFJSJFORWGDQLY-UHFFFAOYSA-N 454.431 2.669 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCCBr)C1 2142044234 LLTJJZAKVSPHFJ-HNNXBMFYSA-N 487.416 2.515 50 10 JFGE C[C@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@H](C)O1 2296532757 XOIWPHPLMWWTBA-GJZGRUSLSA-N 459.462 2.655 50 10 JFGE COCCN(CCOCCI)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2306802362 OGXTZYARWDMDNQ-HNNXBMFYSA-N 456.365 2.786 50 10 JFGE CO[C@@H]1C[C@@H](NC(=O)c2c(Br)c(Br)nn2C)C[C@H]1Br 2338688447 JTGFVOVPOYEILB-RRKCRQDMSA-N 459.964 2.616 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12570131 GGQRKJNFUGPGGG-JTQLQIEISA-N 487.321 2.770 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 254475518 QEECEGKESFDFTK-UHFFFAOYSA-N 452.423 2.752 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc3ccccc23)c1CN1CCc2ccccc21 254508176 FCSBYVBDZDJBPU-UHFFFAOYSA-N 479.504 2.712 50 10 JFGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 254593012 JSQRMURAXKECTG-UHFFFAOYSA-N 472.421 2.987 50 10 JFGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccccc32)cc1OC 254790934 GSDHVNLKNYTIRW-UHFFFAOYSA-N 450.539 2.947 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)nc2c1 1860770870 AOFUHDDVVPECBU-GXTWGEPZSA-N 464.551 2.561 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771978 NMRWKIWZXRCBIR-HUUCEWRRSA-N 484.578 2.769 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1865851653 FQHJFVMAKJYLDY-AAEUAGOBSA-N 469.523 2.822 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C(CBr)CC1 2004218765 CGYSFHBQMCQRTJ-UHFFFAOYSA-N 455.374 2.666 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CC([C@H](F)CBr)C1 2078360142 ICRFXLRBJDJVTK-MQBCKMQZSA-N 475.380 2.884 50 10 JFGE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106772802 IBMDDBVIDDZYFI-OAHLLOKOSA-N 454.431 2.668 50 10 JFGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2214801426 QTWCTSCJLHNBCW-CPUCHLNUSA-N 457.390 2.886 50 10 JFGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)c2=O)cc1 2323659340 IBSJSJWETDOMRF-UHFFFAOYSA-N 451.479 2.695 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCOC[C@H]1NC(=O)OC(C)(C)C 2325066228 VUWAFPALYRPATC-VLIAUNLRSA-N 495.664 2.619 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2364016932 DZKTXWSJJUUQRL-RNJXMRFFSA-N 471.975 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2364214641 OMNJZKHCYIIVFO-HGKCTWBKSA-N 499.427 2.515 50 10 JFGE CN(C)[S@](=O)(=NC[C@@]1(CBr)CC1(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2379984305 LUBDZKXUHGLRSH-KUNJGFBQSA-N 475.400 2.819 50 10 JFGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999261 WAPAEKQDEMKCOB-UHFFFAOYSA-N 477.970 2.697 50 10 JFGE CCCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OC 254514473 NTRGQUMTZYZGPQ-UHFFFAOYSA-N 482.526 2.912 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccccc1[N+](=O)[O-] 254734157 CJYMVWBPUIWZES-UHFFFAOYSA-N 483.462 2.849 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cccc1[N+](=O)[O-] 1860771159 LTAAMHBOUZVCHH-WCQYABFASA-N 469.523 2.822 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)C1 1865851568 DWTFQLWMWVJFHA-ZIAGYGMSSA-N 491.614 2.596 50 10 JFGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(C)n3C)CC2)n1 1868253086 BWCSWHCLXKKQLT-UHFFFAOYSA-N 465.587 2.746 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]1C1CC1 2067011393 HEOPNMLGMZKQMC-DLBZAZTESA-N 469.401 2.886 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2217355747 XDIHBIPYASAYOQ-JKIFEVAISA-N 455.374 2.640 50 10 JFGE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(CCOCCI)C1)C(F)(F)F 2306801994 LFCDDNFXUVSUBC-RKDXNWHRSA-N 462.172 2.512 50 10 JFGE C[C@@]1(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2327694249 HXJIENSVXKGKPT-HXFPYSNGSA-N 469.401 2.934 50 10 JFGE COc1cccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)c(OC)c2)c1 13133405 PLNQMSIQYKWGJI-UHFFFAOYSA-N 467.503 2.865 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39919016 AZUHIUCFFUWUQM-MUUNZHRXSA-N 499.546 2.777 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40657441 FPUBDAINQCDFGT-UHFFFAOYSA-N 486.832 2.769 50 10 JFGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216962210 CPXKINQUSJONCV-OWBHPGMISA-N 450.314 2.874 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cn3ncc4ccccc43)cc2)cc1 730512202 JKPVJSMFKQUQJV-UHFFFAOYSA-N 491.573 2.627 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)NNC(=O)C1CCC1 1084203229 GMSAJJQJBRSSPB-UHFFFAOYSA-N 479.566 2.869 50 10 JFGE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(CBr)cc1 1260505420 DZXWCSQKHSQZIO-HNNXBMFYSA-N 463.394 2.838 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770894 BETAUNBIXGJGSQ-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962191 QXXPSURIOCELPN-RBUKOAKNSA-N 495.580 2.614 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC=C[C@H]1CBr 2011252819 XDSFUYJSENSKAT-HNNXBMFYSA-N 455.374 2.808 50 10 JFGE C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2019069158 XGLZYHULAPEDNU-ZWNOBZJWSA-N 471.295 2.697 50 10 JFGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305009 KYHDGZGENXSZSS-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325302596 DQFTVAHVHKFDRE-DNQNPRGNSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2CCC[C@@H]21 2360224572 GOUQOJVVAOQCCF-BPUTZDHNSA-N 466.442 2.858 50 10 JFGE Cn1ncc(C(=O)N2CCC[C@@H](Br)[C@H]2C(F)(F)F)c1I 2370243327 NRIIQVZBVUVARD-SFYZADRCSA-N 466.039 2.955 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(OCCOc2ccccc2)c1 13623206 YTCRUHBEGMVBDX-QFIPXVFZSA-N 473.529 2.954 50 10 JFGE COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(C(=O)CCCCCCl)CC1 22351170 OEPOGOJUUWACDF-GOSISDBHSA-N 488.050 2.600 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc([N+](=O)[O-])c1OC 169918102 GFCQIYZPCNYPFE-CFRMEGHHSA-N 450.451 2.894 50 10 JFGE CCCNC(=O)CN(C)C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 917230401 CFZHPKOTMBYZOW-UNOMPAQXSA-N 454.502 2.668 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 1860771068 IDTPRHFMXVNDPK-UHFFFAOYSA-N 492.557 2.922 50 10 JFGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 2008836602 LVYAEZNWNIOCSM-ZDUSSCGKSA-N 481.210 2.783 50 10 JFGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2011349239 RTFIMACDNHAYRD-DLBZAZTESA-N 457.390 2.886 50 10 JFGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050369822 RJHNXUCKDTVVNF-MEDUHNTESA-N 485.322 2.739 50 10 JFGE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2ccc(CBr)cc2)C1 2106777251 QWHAHOSVNKYRLL-VWLOTQADSA-N 467.407 2.987 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248419559 CPERDSHOQDUAMD-KRWDZBQOSA-N 458.323 2.849 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@@H](CI)c2ccccc2Br)C1 2285603650 UGXRZRXFCZOEDS-MFKMUULPSA-N 474.158 2.976 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2317606016 QUCTZEQSHACNCD-RUZDIDTESA-N 472.350 2.642 50 10 JFGE COc1ccc2c(c1)c(C=NNC(=O)COc1ccc3c(C)cc(=O)oc3c1)c(C(=O)O)n2C 2328793492 NWVQSRNMCCAMSP-UHFFFAOYSA-N 463.446 2.829 50 10 JFGE O=C(NN=Cc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 8454250 WSELNTPLNGUPIV-UHFFFAOYSA-N 462.216 2.688 50 10 JFGE CCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 9041988 PXFIZLAHVMYPSP-REMUQMNCSA-N 469.567 2.926 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629856 YHUJYVNJSHZJOJ-CABCVRRESA-N 478.343 2.622 50 10 JFGE CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447502 UUCSXJSVEHFWHZ-XMHGGMMESA-N 461.547 2.977 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(F)cc1 40657952 RXFHHMBTDYTMIN-UHFFFAOYSA-N 490.795 2.599 50 10 JFGE C/C(=N\NC(=O)CSc1nnc(-c2ccccc2O)n1N)c1ccc(Br)cc1 58991004 DKNFKQUPTCFVQB-SRZZPIQSSA-N 461.345 2.760 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 205503970 PCQLHOUVUJEOFE-HQCRPNBXSA-N 481.603 2.874 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 207183560 YPWBWGIWZVNYKJ-MNYWRPQOSA-N 463.446 2.988 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(F)cc3)nnn2-c2nonc2N)cc1 254386470 IUYJWDJQKXVIBK-UHFFFAOYSA-N 464.461 2.981 50 10 JFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084098431 RRXOFWYDFFHKTC-UHFFFAOYSA-N 469.494 2.943 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)C1 1860770436 HVFBEPAQTLEGFC-RYUDHWBXSA-N 480.999 2.807 50 10 JFGE CC[C@H](Br)[C@H](CC)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534163 UQPRZMNEKVJXPE-RLFYNMQTSA-N 463.369 2.882 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2009714323 OKFXPJJXQWNXHJ-DEOSSOPVSA-N 458.323 2.868 50 10 JFGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123225570 QRIAFBHFPRNVIH-SJORKVTESA-N 457.415 2.917 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2140552487 ZRCXYYQJLVTOEN-SANMLTNESA-N 486.377 2.588 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2243684782 GYXVXFMWXIWBKS-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 2314808149 DKXSITSZSKYCLX-UHFFFAOYSA-N 469.450 2.566 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2361329021 OPVUUSZDSLUZNF-ZBFHGGJFSA-N 466.442 2.812 50 10 JFGE O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 14003266 PVGRXGYDPPGSED-UHFFFAOYSA-N 461.971 2.861 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14656355 HURDUOCMFFRYJK-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(COc2ccccc2)o1 109901661 DMRNALSSMIFMLR-KRWDZBQOSA-N 475.548 2.534 50 10 JFGE COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 254566164 GBSCXMYCNAMYOZ-UHFFFAOYSA-N 472.479 2.538 50 10 JFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1084268774 MRAOPKIJDAMFED-UHFFFAOYSA-N 455.500 2.598 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])c1ccc2c3c(cccc13)CC2 1084589278 ZPEDSTCMIXGKGJ-UHFFFAOYSA-N 452.492 2.763 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(Br)cnn2C2CC2)cc1 1210519423 ZIRYPKLZAUWDIY-LLVKDONJSA-N 450.293 2.803 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 1558199511 HTNQQCJLTXFSPP-BGYRXZFFSA-N 459.531 2.577 50 10 JFGE C#CC[C@]1(C(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)CCCN1C(=O)OC(C)(C)C 1633460375 PUWANOUPVZBVJJ-JOCHJYFZSA-N 457.535 2.523 50 10 JFGE C[C@@H]1[C@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 1895468370 DPOGYJNPCYHEDD-RKDXNWHRSA-N 472.267 2.581 50 10 JFGE O=S1(=O)CCC(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)CC1 1915169084 DJIPYZGVDQCJJO-KRWDZBQOSA-N 450.420 2.569 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2068383877 KUCFJWQJKIAPAP-NQYLQCIDSA-N 469.401 2.936 50 10 JFGE COC(=O)[C@@H]1C(=O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC 2069662602 MZMJPCBQSNBXID-AVRDEDQJSA-N 469.610 2.514 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2239187028 AJXSFGCNUUWCNG-LAUBAEHRSA-N 499.427 2.515 50 10 JFGE O=S1(=O)C[C@H](OCc2c(F)cc(Br)cc2F)[C@@H](I)C1 2271572831 ZJXLXMVFVJPBQE-QWRGUYRKSA-N 467.069 2.845 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1CC[C@H](CBr)CO1 2364007098 NRINIFUUZCAZRY-HTQZYQBOSA-N 473.991 2.865 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1 9821669 SIKQIMUCKDDOHL-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE COC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1084038080 GAVXWBIVWLWDNZ-UHFFFAOYSA-N 457.792 2.999 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 1616963762 JABFJXGPVIWVHX-AKPGBCELSA-N 459.506 2.685 50 10 JFGE COc1cc(C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)c(Br)c(OC)c1OC 1873777330 FKKLDALUKBAHIA-ZDUSSCGKSA-N 493.358 2.865 50 10 JFGE COc1ccc2c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)[nH]c2c1 1873793456 LUEHRTVWUHIODX-URMYYVDKSA-N 464.544 2.971 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](C(F)(F)CCl)C1 1892700911 PNPWJFLJWRLLIP-YVEFUNNKSA-N 452.882 2.537 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](CNS(=O)(=O)CI)(C(C)(C)C)C1 1983333549 IUUIRKRLBISXRH-HNNXBMFYSA-N 460.378 2.972 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]1(C)CBr 2000540587 FZGLHFCDPPEKGR-ZWKOTPCHSA-N 461.353 2.590 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 2108231052 MZVKBLDXHSDKEK-CJXDPKRBSA-N 487.391 2.836 50 10 JFGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146695157 SPLXYNKCZWERRQ-UFGOTCBOSA-N 452.086 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@@H]21 2163057076 YDQVUJDEEREEAC-ZBFHGGJFSA-N 466.442 2.812 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179819528 MVABVEAWPQIKJR-IBGZPJMESA-N 453.406 2.565 50 10 JFGE Cc1csc(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248416242 PFBPBYXGPMJJTF-INIZCTEOSA-N 478.379 2.622 50 10 JFGE O=S(=O)(CCCl)CCNc1ncc(I)cc1Br 2299280905 LISRGGAFTBYIJD-UHFFFAOYSA-N 453.527 2.514 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2317605797 OKEJWMIQAQUVOR-XMMPIXPASA-N 470.334 2.573 50 10 JFGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CCCC3 2325885273 LQENRFIHUIIBQP-NSHDSACASA-N 473.536 2.728 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 14019330 DAKYYHHNAMZYFX-UHFFFAOYSA-N 481.315 2.805 50 10 JFGE COc1ccc(C=NNC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1CN1CCOCC1 252610533 ICDKIJLELMVKPT-UHFFFAOYSA-N 451.527 2.746 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(OC)cc1OC 252615457 JSNSWJPCMVQXEG-UHFFFAOYSA-N 492.565 2.517 50 10 JFGE COc1ccc([C@@H](CNN(CCNC=S)C(=O)c2ccc(F)c(F)c2F)N(C)C)cc1 586403775 DWWSTUBDJDJFGL-GOSISDBHSA-N 454.518 2.909 50 10 JFGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1CCN(c2nc3ccccc3s2)CC1 727294304 YXAFYOWDYTZPGI-UHFFFAOYSA-N 492.649 2.872 50 10 JFGE O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(-c2ccccn2)nc1O 729298688 SIWQAPXJYCHCCP-UHFFFAOYSA-N 492.495 2.682 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c(C)nc2c1 1860771247 OGLXMFDGSUNDHP-DOMZBBRYSA-N 478.578 2.870 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 2031621888 AOFPPLWEZJLTMH-HNNXBMFYSA-N 469.401 2.890 50 10 JFGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1)OCc1ccccc1 2162587143 QPSLJLOUHKMXNV-PMACEKPBSA-N 452.960 2.830 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296731347 PTVQUYSTUPLCRZ-PMACEKPBSA-N 471.561 2.882 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 13976614 BUVGANTVRDFXEW-UXBLZVDNSA-N 478.368 2.880 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(Br)c(I)c2)[C@@H]1Br 300886476 BKZCCHHCTFFXFL-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE CCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962839 XHMVWQDTTFUYFM-RBUKOAKNSA-N 465.554 2.605 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)C1 1872963047 YQXHCCXRWNATGI-JKSUJKDBSA-N 475.471 2.835 50 10 JFGE COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1O 1873794817 BZGUIEPETMHGKV-OHHQFBAHSA-N 458.471 2.895 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)N1CCC(Br)CC1 2164650096 XVRJTODQVKEDTO-VNQPRFMTSA-N 466.442 2.858 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCl)CC1CCOCC1 2195504509 PSVQRKFNFKIKEU-QGZVFWFLSA-N 456.992 2.796 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2268645642 GQHXERHICTUADN-IQMFZBJNSA-N 491.328 2.792 50 10 JFGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2353835830 VEJAWOCCQMEVNW-BZUAXINKSA-N 453.443 2.762 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1Br 13977367 IRGFKSGWVDQPRL-WEVVVXLNSA-N 494.367 2.824 50 10 JFGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1/CCSc2ccc(F)cc21 96698254 ZPKMJLABXZEOBS-GFMRDNFCSA-N 477.583 2.796 50 10 JFGE O=C(N[C@@H]1CCCN(CCBr)C1)c1cc(I)ccc1O 384718369 NLWBTWYICPKCAM-LLVKDONJSA-N 453.118 2.586 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 703967978 WIKKPZCZTXXSMA-LSDHHAIUSA-N 471.417 2.992 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(-c2ccncc2)n1N 1083963470 ATJLJENRWAMCNI-UHFFFAOYSA-N 490.387 2.848 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751805 ZBZDYFAHMDWIHI-UHFFFAOYSA-N 475.549 2.669 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2106303532 VQRRTPPCRMPCEB-NSHDSACASA-N 468.336 2.526 50 10 JFGE CCC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106306073 VKVXWGUQCGNYCJ-KRWDZBQOSA-N 454.431 2.860 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2364015575 QPJTUUJTKRJIOV-RCOVLWMOSA-N 471.975 2.760 50 10 JFGE NNC(=O)c1nc(COCc2ccc(I)c(Br)c2)cs1 2377638359 PLZGIVOHYJENJL-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC 33932406 FLKGWQLJLGIRSJ-CVGPFBNFSA-N 493.560 2.644 50 10 JFGE O=C(NN=Cc1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254872199 KRSCJARXIGYFOW-UHFFFAOYSA-N 486.528 2.827 50 10 JFGE O=C(N[C@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 323086670 WHOFHZPUCLJFHZ-UWVGGRQHSA-N 474.918 2.946 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1Br 703972677 GFGSTIVPIXENMS-MSOLQXFVSA-N 463.353 2.653 50 10 JFGE CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 798149147 OVCLWQFMDNHLOV-UHFFFAOYSA-N 477.583 2.521 50 10 JFGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)C[C@H](C)O)ccc1Cl 1141853130 DFTPSWZDSHHEDL-AWEZNQCLSA-N 455.939 2.818 50 10 JFGE CC(C)(C)[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538198 GAMXYBWSIYXKAC-KBXCAEBGSA-N 463.369 2.740 50 10 JFGE CC[C@@](C)(CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546305 ZLTMXEKPKBGASV-MSOLQXFVSA-N 463.369 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CCBr 2046026758 UXMUGAUCMKTDAX-ACJLOTCBSA-N 493.420 2.543 50 10 JFGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050369820 RJHNXUCKDTVVNF-BDJLRTHQSA-N 485.322 2.739 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106299929 ATXICFQSPOXZHV-KRWDZBQOSA-N 454.431 2.717 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]21 2163057073 YDQVUJDEEREEAC-GDBMZVCRSA-N 466.442 2.812 50 10 JFGE CN(Cc1ccc(B(O)O)cc1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257380608 LSQKVQACZLJMGU-UHFFFAOYSA-N 472.350 2.644 50 10 JFGE CCOc1cccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)c1OC 2323176890 SKHBZBHAAXNASJ-QGZVFWFLSA-N 455.496 2.674 50 10 JFGE O=C(NC1(C(=O)N2CCCc3c(B(O)O)cccc32)CC1)OCC1c2ccccc2-c2ccccc21 2341916668 XUWDDNLVKRYYIE-UHFFFAOYSA-N 482.345 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OCC[C@@]2(CCl)C1 2364190561 OFDBHBDSCPHLHB-WIYYLYMNSA-N 454.976 2.503 50 10 JFGE C/C(=N\Nc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 59880990 GYNYSJZILRWLPJ-OHBSIKEHSA-N 480.392 2.831 50 10 JFGE C[C@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686174770 IMVFQHURXOFUFX-NSNWQYSKSA-N 455.374 2.639 50 10 JFGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OCC 1084195338 RBBCALXCHLIQRR-UHFFFAOYSA-N 463.556 2.799 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 1084427754 MATDQNKQDSZQCZ-IBGZPJMESA-N 455.496 2.555 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(CNS(=O)(=O)c3ccc(CBr)cc3)C[C@H]1CO2 1260511112 MRKYRXQBBFDVTP-KSSFIOAISA-N 461.378 2.638 50 10 JFGE CCc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960914 HFVAFXVNHRJKRD-YUXAGFNASA-N 463.582 2.935 50 10 JFGE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887520732 AMUHSRVPOPZQGK-UHFFFAOYSA-N 485.393 2.513 50 10 JFGE C[C@@H](CCBr)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532703 LTUYFESMBJRLHS-UGSOOPFHSA-N 463.369 2.741 50 10 JFGE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780071 UWSIMDUSOVNWOK-AWEZNQCLSA-N 454.431 2.717 50 10 JFGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 2325141337 WZRLRDOKZKUMIQ-OAQYLSRUSA-N 468.579 2.876 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccs1 13979430 HECULDITFQJNRN-FNORWQNLSA-N 454.371 2.933 50 10 JFGE CC(C)(C(=O)NNC(=O)CCOc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 726162528 DSOOVYWFIWGLFI-UHFFFAOYSA-N 469.357 2.618 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920214 GNZHXABFHHJSMZ-NKFKGCMQSA-N 465.598 2.605 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC[C@@H]1CCCO1 1084125064 DQWIJMSEASDDQH-NRFANRHFSA-N 474.517 2.603 50 10 JFGE CCCCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720988 YIJAFLXIMJWNSW-UHFFFAOYSA-N 487.354 2.855 50 10 JFGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1860770627 QDHNADTVBXLGTQ-UHFFFAOYSA-N 498.586 2.760 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 2108234737 RAOIWLNOYSJAIP-BAGFXWCHSA-N 487.391 2.979 50 10 JFGE O=S(=O)(NC[C@@]1(O)CCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 2157523895 VFHMQTMEMYPQBC-FQEVSTJZSA-N 453.402 2.887 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)C=Cc1cccc([N+](=O)[O-])c1 2314793727 YPWBWGIWZVNYKJ-UHFFFAOYSA-N 463.446 2.988 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)cc1 101611538 HRUAOSWYKAUSCB-NHFJDJAPSA-N 490.516 2.907 50 10 JFGE COc1cccc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1OC 252608160 HHKMMBUUVKKSQT-QGZVFWFLSA-N 451.932 2.661 50 10 JFGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 730583314 OUXFPKUOSYNFIV-INIZCTEOSA-N 487.607 2.658 50 10 JFGE CN(C1(CBr)CCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1914971260 QLURACIOLCOGKZ-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE C[C@H](Cl)CC(=O)Nc1c(I)ncnc1I 1974850526 AEEFUFWPYCCDLT-BYPYZUCNSA-N 451.433 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H](CCBr)C1 2021786543 YGSKZKXFBGUEDO-SHTZXODSSA-N 457.390 2.936 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 2046030996 CAQGEWSJXMBZLG-SWLSCSKDSA-N 489.285 2.646 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508872 OZVDODRIHUEZBM-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE O=C(N(CC(F)F)[C@H]1CCCN(CCOCCI)C1)C(F)(F)F 2306803305 XCKBASNUTYQBDX-JTQLQIEISA-N 458.209 2.558 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2328793517 VQTGGLPXZJLPPC-UHFFFAOYSA-N 493.472 2.916 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2344149087 IEWVZMRAQWACDN-HUUCEWRRSA-N 457.312 2.922 50 10 JFGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2353832783 VEJAWOCCQMEVNW-OWCLPIDISA-N 453.443 2.762 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)c1 10276122 MTDFSFZJCNBOJJ-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12490102 LTRKSHQJRGYPTJ-UHFFFAOYSA-N 452.261 2.579 50 10 JFGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630096 VZOHXRFDJPKTBI-CQSZACIVSA-N 478.343 2.740 50 10 JFGE Cc1ccccc1CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14563327 JBLASKNAMQBZKI-UHFFFAOYSA-N 450.358 2.709 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 23738336 DQQWQGTZEPHCMP-LICLKQGHSA-N 470.478 2.610 50 10 JFGE CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 96915677 UDWSAHJOJIXROL-GDLZVWPASA-N 463.600 2.635 50 10 JFGE O=S(=O)(C[C@H](Br)CBr)C[C@@H](Br)CBr 237989472 AJVRMHVZGCHBPN-OLQVQODUSA-N 465.827 2.718 50 10 JFGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252629763 UNHDJFMXVJCIBS-ZSKIXMJJSA-N 474.429 2.950 50 10 JFGE C[C@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686174772 IMVFQHURXOFUFX-UWWPHRKUSA-N 455.374 2.639 50 10 JFGE C[C@H]1CCC[C@](CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703975490 VTERMFFWXCNTTB-LIRRHRJNSA-N 457.390 2.936 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 1563190194 OFYOZGCHHQKYGG-AWEZNQCLSA-N 454.483 2.867 50 10 JFGE C#Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 1624429479 VIBRBMGTKSFCPV-STZFKDTASA-N 453.502 2.639 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1674021239 WESJLLBPHNYCSY-JOCHJYFZSA-N 451.490 2.707 50 10 JFGE CC(C)N(C[C@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535054 XRPORPHLPUIXRH-SCLBCKFNSA-N 463.369 2.834 50 10 JFGE CC(C)(C)OC(=O)N[C@@]1(c2ccccc2)CCN(S(=O)(=O)CI)C1 2007711069 YHWSIVSAXOHRRT-INIZCTEOSA-N 466.341 2.835 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106776848 MILCBIZGBZJOQT-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE O=S(=O)(c1ccsc1CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2123284800 SJOQMPDYHSBFQH-HOTGVXAUSA-N 457.415 2.917 50 10 JFGE COCCN(C[C@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843744 BTWFQFDHFUOXQG-INIZCTEOSA-N 489.432 2.905 50 10 JFGE O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1ccccc1OCc1cccc(Br)c1 1497864 VAUFJCMDSUVSJP-ZVBGSRNCSA-N 459.260 2.678 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc1Br 12502894 RBORNNBRPJATAP-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1OC 13977351 MASBZRGYAPHUIH-WEVVVXLNSA-N 463.943 2.780 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 14847487 GFVKQEAIAGBYAX-QGZVFWFLSA-N 461.559 2.985 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1cc(Br)ccc1OCc1ccccc1F 15225535 AQALUGYMGDQEGZ-UHFFFAOYSA-N 450.308 2.950 50 10 JFGE CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]1(O)CCl 31167333 QERAXRDNYJPTRN-BVNLLZHESA-N 460.951 2.943 50 10 JFGE biogenic O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 34984254 XQTNRMMAQLPHEH-JYRVWZFOSA-N 450.476 2.862 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 101570050 KZFVDZBIHHNAHA-UHFFFAOYSA-N 462.297 2.888 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(SC)cc3)nnn2-c2nonc2N)cc1 254289373 KOMDFXKLBYDQSJ-UHFFFAOYSA-N 464.511 2.784 50 10 JFGE O=C(CSc1nc2ccccc2s1)NN=C1C(=O)N(CN2CCOCC2)c2ccccc21 254898585 VVHJUSAVLUJSAN-UHFFFAOYSA-N 467.576 2.545 50 10 JFGE CCOc1ccccc1OCC(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727292656 HDVXRQGYLWPGRU-UHFFFAOYSA-N 468.554 2.576 50 10 JFGE Cc1ccc(COc2ccc(C=NNC(=O)CN3CCOCC3)cc2I)cc1 1084579871 NSGUEQRPNJKEKI-UHFFFAOYSA-N 493.345 2.961 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 1558199515 HTNQQCJLTXFSPP-WOJBJXKFSA-N 459.531 2.577 50 10 JFGE COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 1860773618 CHCZLXNHERARPA-JJKDVNPGSA-N 485.522 2.917 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H](CBr)C1 1942374986 LSVRXDKZDJTPOZ-ZIAGYGMSSA-N 457.390 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H]1CBr 2046029349 PWZGBLOEIXOXDL-KSMMKXTCSA-N 475.380 2.741 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2078144381 UUJGKXYJIYCINV-VBKZILBWSA-N 469.401 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@H]21 2217359146 XDIHBIPYASAYOQ-JKIFEVAISA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cc(B(O)O)c(F)cc1Cl 2258098145 CCAWCHQBEQBUOE-UHFFFAOYSA-N 464.730 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2364206504 TYCXNIKBRODGSC-NQIIRXRSSA-N 499.427 2.659 50 10 JFGE O=C(COc1ccccc1Cl)NC(=S)NNC(=O)c1ccccc1I 13976849 OAPLDMLCLUMAAB-UHFFFAOYSA-N 489.722 2.659 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2C)c(Br)c1 14563292 SCFAXBCOKJJWCH-UHFFFAOYSA-N 450.358 2.709 50 10 JFGE COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(C(=O)CCCCCCl)CC1 22351167 OEPOGOJUUWACDF-SFHVURJKSA-N 488.050 2.600 50 10 JFGE O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc(O)c(Br)cc1Br 33403405 HVRYBWKLMSOMQF-OSIYQEGISA-N 481.144 2.897 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNc3ccc(F)c(F)c3F)CC2=O)cc1 727758465 FWWLPFUDQOROMX-CYBMUJFWSA-N 484.500 2.631 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 1860770040 QGMYBFRMWUZJHS-UHFFFAOYSA-N 478.530 2.912 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCC(CBr)CC2)C1 1916949418 XAYSKULGDOMDJE-UHFFFAOYSA-N 469.401 2.890 50 10 JFGE CC(C)(C)[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538200 GAMXYBWSIYXKAC-KSSFIOAISA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(NS(=O)(=O)CI)cc2C1 2210516961 URQNJFRPBWRHPZ-CYBMUJFWSA-N 452.314 2.813 50 10 JFGE CN(CCCCCI)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2214705216 OTEPXJQTFIKHLE-UHFFFAOYSA-N 453.365 2.603 50 10 JFGE C[C@@H](Br)CN(C1CCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259750804 LQPRVRVMMPYYGI-YJYMSZOUSA-N 475.380 2.979 50 10 JFGE COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 2296658387 CTVHGKRAJJDRBH-UHFFFAOYSA-N 482.540 2.934 50 10 JFGE CC[C@H](NC(=O)C(C#N)=CN(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325092295 GZACOTKSYLXYNR-PKTZIBPZSA-N 459.612 2.676 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325302594 DQFTVAHVHKFDRE-BVNXPQQUSA-N 473.364 2.588 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661457 YYWWFTKYZMFWFD-UHFFFAOYSA-N 464.316 2.898 50 10 JFGE O=C(CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1)NNC(=O)CSc1ccc(Cl)cc1 17185301 FGCRCGNTZKUFPN-UHFFFAOYSA-N 482.953 2.635 50 10 JFGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(/C#N)C(=O)N4CCOCC4)cc3OC)cc2c1 207234173 KCZLNZZLKDVPSK-WQRHYEAKSA-N 490.468 2.795 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 254622598 DZLUXIJNOMBEHO-UHFFFAOYSA-N 469.501 2.748 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2ccnc(N3CCOCC3)c2)c(-c2ccccc2)n1 914505389 CXIJIGMMBHMKGK-CJLVFECKSA-N 467.533 2.919 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2CC2(Cl)Cl)cc1 920852883 BALREOATKDSSEQ-WPMUKRGUSA-N 462.337 2.651 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1 1639211096 GGASGWWYFVOGBU-UHFFFAOYSA-N 452.286 2.911 50 10 JFGE COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770084 RZVCAPCFTVUATB-OAHLLOKOSA-N 484.578 2.598 50 10 JFGE O=S(=O)(NC[C@]1(CBr)C[C@@H]1C(F)(F)F)N1CC(OCc2ccccc2)C1 1877483337 KHIUHIOTDYUSAP-LSDHHAIUSA-N 457.312 2.685 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](F)(CBr)C1 2039796441 IMXUPYDUYADEFE-LJQANCHMSA-N 475.380 2.838 50 10 JFGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2076212418 CKOAYRSJCDZHLW-HNAYVOBHSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNS(=O)(=O)N1CCC(Br)CC1 2162601518 LWABWRBYOPYFJX-CQSZACIVSA-N 466.442 2.717 50 10 JFGE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163053173 LANQJMDIVSWRGT-GOSISDBHSA-N 463.394 2.622 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(B(O)O)c(F)c1 2248903114 PPMUBRBTNDNYFN-UHFFFAOYSA-N 462.286 2.763 50 10 JFGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296646535 LUAUFLLLVXEMTO-UHFFFAOYSA-N 491.416 2.835 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(c3ccccc3OC)CC2)cc1OC 2324718915 LZHAFDZFCIAPAG-UHFFFAOYSA-N 450.539 2.601 50 10 JFGE CC(C)(CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)OCCBr 2338835486 GDLADRCGDKHZHA-UHFFFAOYSA-N 489.432 2.953 50 10 JFGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1C 10154098 BKXRBGRUGOWNHX-GOSISDBHSA-N 471.579 2.659 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)c(Br)c1 12502901 MUBIMYYELNQUNR-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 13976635 KJVXBYHGKFUYOC-BJMVGYQFSA-N 478.368 2.880 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCCC(C)C)c(OC)c3)cc2C1=O 14939659 VPYJBMBMRHPVAZ-UHFFFAOYSA-N 465.506 2.977 50 10 JFGE COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 169918162 SWTBAYOIBIMABC-CFRMEGHHSA-N 450.451 2.894 50 10 JFGE COc1ccc(N2C(=N/C=C(\C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254478253 BJBWQQADKZCSHN-NYACDPLDSA-N 496.614 2.536 50 10 JFGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 1084387205 BQTAAGSKQHOIGC-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE COc1cccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674347 VBFNZLUHKXXUMF-HXUWFJFHSA-N 466.519 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CBr)C[C@@H]1C(F)(F)F 1877512138 ASUFGPNOIWURBS-WMLDXEAASA-N 497.333 2.946 50 10 JFGE CC[C@@H](Cl)C(=O)Nc1c(I)nc(C)nc1I 1984092482 CWJOYXPJMBBMKC-RXMQYKEDSA-N 465.460 2.950 50 10 JFGE C[C@@H]1C[C@@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2004851539 YSNOEUGJAVVXMZ-CABCVRRESA-N 457.390 2.888 50 10 JFGE NNC(=O)[C@@H]1C[C@H]1COc1c(I)cc(Cl)cc1I 2028051032 KGALQVUSSRKBMJ-CAHLUQPWSA-N 492.482 2.554 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)N1CCC(Br)CC1)C2 2106304890 JXZJZUANNVBQST-GJZGRUSLSA-N 452.415 2.611 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139708162 YRVNIWQDXBOLAV-PVHCOMRUSA-N 487.391 2.882 50 10 JFGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2162593621 IAJOXQDDZIBFLK-LBPRGKRZSA-N 476.384 2.572 50 10 JFGE COCCOCCN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791756 WAAIWNCJBIOCKP-UHFFFAOYSA-N 451.202 2.689 50 10 JFGE Cc1ccc(I)c([C@H](Br)CS(=O)(=O)N2CCOCC2)c1 2240992534 ZHVDNWQPDAXZCE-GFCCVEGCSA-N 474.158 2.698 50 10 JFGE CC(C)c1cc(B(O)O)cc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1 2281774647 ZICKZONKIBAPLX-UHFFFAOYSA-N 468.359 2.683 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1[N+](=O)[O-] 12584287 QFELPPVIGNBBFQ-UHFFFAOYSA-N 473.077 2.960 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14038038 QMUSOBVYIGSQIV-LBPRGKRZSA-N 466.288 2.913 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 101570447 KTBHUUDZKBJHOS-UHFFFAOYSA-N 492.323 2.653 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccn1)CCC2 101605992 GFMLBRISGMGSPC-WGOQTCKBSA-N 461.478 2.537 50 10 JFGE Cc1c(C(=O)NN=C(c2ccc(F)cc2)c2ccc(N3CCCCC3)cc2)nnn1-c1nonc1N 254746271 ZVNBLPCSTOSZDR-UHFFFAOYSA-N 489.515 2.853 50 10 JFGE Cc1ccn2cc(CNC(=O)NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)nc2c1 918234204 BOYLTUPSEYPRLX-UHFFFAOYSA-N 484.563 2.649 50 10 JFGE Cc1cc(Cl)ccc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962075 PGIWOPZAWZVRNB-IRXDYDNUSA-N 455.946 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)C12CCC2 1914428308 PRTUOVMZJGZKAN-MRXNPFEDSA-N 455.374 2.785 50 10 JFGE CC[C@H](CCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539539 LKJMOGSRZKDGGU-FZKQIMNGSA-N 463.369 2.884 50 10 JFGE CN(C)[S@@](=O)(=NC[C@H](CBr)C1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106782892 VAVWDPWDGXTHKT-HAWMADMCSA-N 453.447 2.820 50 10 JFGE N[C@H](CCSS[C@@H](C[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2333220589 WYSMLTOHPQSVDI-AQNXPRMDSA-N 490.603 2.696 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623511 RGQNDISGUXDVAA-LJQANCHMSA-N 482.606 2.940 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c1 16203492 NKTFDYOGZHQHAZ-UHFFFAOYSA-N 488.591 2.827 50 10 JFGE COc1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 730495139 IVWIKDAYKKNLFS-INIZCTEOSA-N 495.319 2.677 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CBr)CCCC1 1942095298 PRXHJOOHTSVTCX-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018110305 SKAJANSFGMZAPZ-CJNGLKHVSA-N 457.390 2.886 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]1CNC(=O)OC(C)(C)C 2106778389 CRNJFKCFBOUEFO-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2133824588 GTIAXWXELHMTLO-KUHUBIRLSA-N 487.391 2.980 50 10 JFGE O=S(=O)(c1cc(CBr)sc1Br)N1CCN(CCF)CC1 2179786319 YXCKXYDORFYMGV-UHFFFAOYSA-N 450.193 2.681 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179812008 LKXJQECCLKRVRQ-PMACEKPBSA-N 456.450 2.792 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)sc1Br 2314167305 VCFBURCQWXJYSC-UHFFFAOYSA-N 484.029 2.813 50 10 JFGE CCOC(=O)NCCNC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324610038 CNUCNWKXCPKUNQ-UHFFFAOYSA-N 461.566 2.663 50 10 JFGE COc1cccc(NC(=S)NNC(=O)C2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 1615948472 IEYRBZKUVLMXHS-URLQWDBASA-N 459.641 2.564 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2OC)cc1 1667956086 IUBDOSFZNSSFCM-UHFFFAOYSA-N 452.920 2.622 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H](Br)CBr 1900968891 CXELXQFPRPAAIQ-BYPYZUCNSA-N 482.796 2.833 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)[C@H]2CCCC[C@@H]21 1984447922 PSJUKPBKAWNDHT-XQQFMLRXSA-N 458.362 2.724 50 10 JFGE CCC(CC)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545884 VVBWPQUTMMQYSL-KRWDZBQOSA-N 463.369 2.884 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@H]1C[C@@H]1Br 2076165290 OOFOWVRXYPGQTB-VDTYLAMSSA-N 462.989 2.856 50 10 JFGE C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2115834112 XKLMIEKELNZWLX-KGLIPLIRSA-N 454.431 2.716 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128151182 CQUZGMSTLCBETF-IGMJJTELSA-N 487.391 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2199772738 JQCPHCIGXQRYGD-ZYSHUDEJSA-N 499.427 2.657 50 10 JFGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257381586 MKCCVUYSQMZLDD-HNNXBMFYSA-N 493.394 2.660 50 10 JFGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299341126 OKWOIHKARVVQEH-DLBZAZTESA-N 455.374 2.807 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39918734 GPZDIKHQMPESCV-HHHXNRCGSA-N 486.503 2.861 50 10 JFGE COc1ccc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(OC)c(O)c3)c(C)nc2C)cc1O 48523339 ZVJIBPNMCYWCSM-KTDSDSLMSA-N 491.504 2.655 50 10 JFGE N=c1nc(CCCl)[nH]c(=Nc2ccc(Br)c(I)c2)[nH]1 382496069 JHPJLOZWBTUIRJ-UHFFFAOYSA-N 454.497 2.598 50 10 JFGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 1540343054 WPWHUXKGQUHZHW-OKHBPPCESA-N 452.330 2.603 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(CCBr)CC1 1942099972 YLWJVWTWGITHTL-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1S(=O)(=O)CI 1986735969 LRDYKALXCSQGEM-JTQLQIEISA-N 468.304 2.723 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CCN(Cc3ccccc3)CC(F)(F)C2)c1CBr 2179812444 QSCUKWYKYJTAJU-UHFFFAOYSA-N 463.348 2.755 50 10 JFGE O=C(NCCC(=O)N1CCCc2cccc(B(O)O)c21)OCC1c2ccccc2-c2ccccc21 2257363712 AEXMCRUQTIGMRT-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c1 13977112 WICQTVHBVKRELI-UHFFFAOYSA-N 453.305 2.857 50 10 JFGE N#CCC(=O)NNC(=O)c1csc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 33875554 QQFDTGPHSHKFGU-UHFFFAOYSA-N 465.457 2.856 50 10 JFGE N#CCCN(CCC#N)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40618148 PXFIRIGULGNKHN-UHFFFAOYSA-N 459.264 2.538 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1N 40728293 YXPWHCAXYKBBPZ-UHFFFAOYSA-N 453.934 2.804 50 10 JFGE CC(C)[C@@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703952328 WNMFZEFUNLXHLY-AWEZNQCLSA-N 459.406 2.895 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3cccnc3)n2N)c(O)c1 1084187589 UNWLXOXHZZUJJI-UHFFFAOYSA-N 468.587 2.628 50 10 JFGE C[C@H](C(=O)NNC(=O)COc1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860772247 WNVIFOWNIQNYBG-GFCCVEGCSA-N 460.943 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](Br)CBr 1961815339 NIEWNWFJBWPWPU-GFCCVEGCSA-N 496.221 2.531 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCCC1 2046028805 LITZGBWXLDMBKS-IBGZPJMESA-N 475.380 2.980 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187748422 PBQALWMECBEMFV-PMACEKPBSA-N 456.450 2.935 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(OCC)c(OC)c2)(c2ccccc2)CC1 1135470459 ZBIKOKZNWGIQAL-UHFFFAOYSA-N 451.523 2.601 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2cc1OC 1873793205 CCZIGJVJVGCJOY-BMYBCIMUSA-N 494.570 2.980 50 10 JFGE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163054650 ZEXRKPBVLJXIIT-LSDHHAIUSA-N 463.394 2.884 50 10 JFGE O=S(=O)(C1CC(CBr)C1)N1CCOCC12CCN(Cc1ccccc1)CC2 2179955941 IHEZBBBNJWYZHS-UHFFFAOYSA-N 457.434 2.857 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)Cc1ccc(Br)cc1Cl 2229152688 OGVQNIGKBCBYOX-JTQLQIEISA-N 460.493 2.738 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2248396903 GIDGJSJIFIILDI-JKSUJKDBSA-N 478.379 2.875 50 10 JFGE Cc1cc(B(O)O)c(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)s1 2256605304 KBRIGESDACBSRW-XMMPIXPASA-N 492.406 2.916 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1c(F)cccc1I 2282787614 SDWBMZRYNGVQGU-UWVGGRQHSA-N 455.109 2.970 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1c(F)cccc1I 2282787615 SDWBMZRYNGVQGU-VHSXEESVSA-N 455.109 2.970 50 10 JFGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2356244888 ALNZDFOMNZKFNM-WTGUMLROSA-N 457.434 2.855 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 33497484 GISCWSAVXRGRAC-MLPAPPSSSA-N 470.551 2.548 50 10 JFGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217187965 ASHGXMVSGVHZQH-HWCXCKHPSA-N 482.606 2.985 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C/N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 254737332 OCDNWTMMEJMLCF-NYACDPLDSA-N 496.614 2.536 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2O)cc1 254836567 YWYQLAUVEIGSHB-UHFFFAOYSA-N 494.573 2.734 50 10 JFGE COCCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(Br)cc1 1115995060 KZOYDPCEPGUFJE-UHFFFAOYSA-N 459.300 2.735 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729241 GROZKKCPFUKZMP-UHFFFAOYSA-N 476.331 2.770 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OC2(CCC2)C1 2165764939 NOLWDMKHVPJADT-HNNXBMFYSA-N 499.427 2.657 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2257382446 RBMILZRUEHEZPB-XMMPIXPASA-N 492.406 2.998 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2282797519 PEHUKOKPBMDGAQ-SBMIAAHKSA-N 454.077 2.912 50 10 JFGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338841956 DIZHFZWRMBPFOA-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)C1CCOCC1 2381005587 KTXTUZOMSUMKAS-UHFFFAOYSA-N 456.992 2.749 50 10 JFGE CCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21 33959088 TXLJMWZZAJIGOJ-PLRJNAJWSA-N 457.328 2.846 50 10 JFGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c1 40658138 FFNCZIZKIBMJMZ-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 103732679 NSMDLYHOUFLBOD-UFFVCSGVSA-N 483.397 2.743 50 10 JFGE Cc1cccc(C(C)C)c1NC(=O)C(CC(=O)/C=C\c1cccc([N+](=O)[O-])c1)=NNC(=O)C(N)=O 254567246 PXCNOBXGCGPDRH-CLZYZHFJSA-N 479.493 2.595 50 10 JFGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1cccc(F)c1 254613179 XZVMPVNBVXOLRX-UHFFFAOYSA-N 474.452 2.857 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)C1 1860772115 ROWGZSACDYBMKF-VHSXEESVSA-N 479.356 2.961 50 10 JFGE COc1cc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 1860773795 FHXMZKZBTAWTQV-AKJPKQNRSA-N 471.495 2.671 50 10 JFGE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCCSSCCNC(=O)OC(C)(C)C 1902038656 NTXOKLMPDUWFEH-CQSZACIVSA-N 467.654 2.939 50 10 JFGE Cc1nc(I)c(NC(=O)[C@H](C)Cl)c(I)n1 1975070936 MKATUOOHWDWQSZ-VKHMYHEASA-N 451.433 2.560 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 2022858665 VHJFERFQWLPOTD-LSDHHAIUSA-N 479.665 2.627 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C1(O)CCC1 2022930350 SPSCDDBQSHAVKW-AWEZNQCLSA-N 479.665 2.817 50 10 JFGE CN(Cc1ccccc1)C1CCN(S(=O)(=O)c2cnn(CCCBr)c2)CC1 2179786057 UZCITUSPELBRHL-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1c(Br)cccc1Br 2231667929 PJWORINVIPPJEX-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE CO[C@@H]1CN(C(=O)c2ccc(I)cc2)[C@H](CBr)[C@H]1OC 2233354015 IKMCAJBMTNEFHA-JHJVBQTASA-N 454.102 2.541 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](CBr)C1 2301116253 CKMNAAPLKZLNEM-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2301724083 ZNWSERLADBRRSL-HSZRJFAPSA-N 462.286 2.761 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)cc1 10672453 GFKKOBOTVQXZQE-OAHLLOKOSA-N 473.551 2.755 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-] 40659566 KEEPGLSGRZZBRT-UHFFFAOYSA-N 481.300 2.912 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2CC2(Cl)Cl)cc1 920852877 BALREOATKDSSEQ-FCONWMNKSA-N 462.337 2.651 50 10 JFGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CN3CCOCC3)c2C)sc2c1CCCC2 1084311872 BKKXFBGUHLXTMC-UHFFFAOYSA-N 472.611 2.993 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)c2ccc(CBr)cc2)C1 1260513314 XBEADJWIAONKJV-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE Cn1cccc1/C=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 1615016767 HVVKACFXIYXKCX-MYLMQOOSSA-N 459.543 2.720 50 10 JFGE C[C@@H](CBr)CCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540420 FFYGQTWBVWADJT-ACJLOTCBSA-N 463.369 2.741 50 10 JFGE Oc1ncnc(N2CCOC3(CCC(Br)CC3)C2)c1I 2190028313 AFYAQVNCCGKLPU-UHFFFAOYSA-N 454.106 2.700 50 10 JFGE CO[C@@H]1[C@H](OC)CN(C(=O)c2cccc(I)c2)[C@H]1CBr 2233352623 FEIZALIVIMUPHU-XQQFMLRXSA-N 454.102 2.541 50 10 JFGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc(OC)c1OCc1ccccc1 2328808913 RUNIGNGQSLWSDE-UHFFFAOYSA-N 488.500 2.849 50 10 JFGE OB(O)c1cc(Nc2cc(Br)c(Br)c(Br)c2)ncc1F 2370023896 YHFHKYARJATZJF-UHFFFAOYSA-N 468.711 2.932 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14654065 PWVWZGCHODHKHC-UHFFFAOYSA-N 466.357 2.952 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 54624904 GXBZKLYQXSQOKZ-GZTJUZNOSA-N 469.450 2.566 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3F)cc2)cc1OC 254837275 TVCOVSBSAKYEFD-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 1858081778 HKHWJSASGAUFFV-UHFFFAOYSA-N 451.501 2.674 50 10 JFGE O=S(=O)(NC[C@@]1(CBr)C[C@H]1C(F)(F)F)N1CC(OCc2ccccc2)C1 1877483334 KHIUHIOTDYUSAP-CABCVRRESA-N 457.312 2.685 50 10 JFGE C[C@H](CCl)CS(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994784771 ZCSUKKHOSBYDGQ-CQSZACIVSA-N 472.048 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2Br 2004620860 BHQYYQZPLQPJKI-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE Cc1nc(I)c(N)c(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2010827578 SZGKYQSFCQISQQ-UHFFFAOYSA-N 485.417 2.712 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2046024950 FHQSKTNBYHYPBH-QXMSGVSCSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163051360 SKNRGOVDUFDLRZ-GOSISDBHSA-N 463.394 2.622 50 10 JFGE Cn1ncc(C(=O)N2C[C@@]3(F)CCC[C@@]3(CBr)C2)c1I 2176641564 UPSUZNQCAKTMLL-OLZOCXBDSA-N 456.097 2.754 50 10 JFGE COC(=O)[C@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277919358 WDEDAUXQKIETLM-SNVBAGLBSA-N 457.944 2.807 50 10 JFGE CCN(CCOCCBr)C(=O)c1c(Br)c(Br)nn1C 2338860193 JUWVLXRCPNOZRT-UHFFFAOYSA-N 461.980 2.819 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 3644175 ULMBAZYUTAKFRY-QZFKAFNDSA-N 498.948 2.659 50 10 JFGE COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC 96095854 MIUMHWYHFJFVMX-BUVRLJJBSA-N 475.567 2.572 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 205634124 QCHTVMMRBTWKAX-AJOUPAOOSA-N 464.547 2.955 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=CC2CCCCC2)c1CN1CCC(Cc2ccccc2)CC1 254393968 SQASCANDPIUSCP-UHFFFAOYSA-N 491.600 2.983 50 10 JFGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCC(=O)O)c(OC)c2)cc1 1084353763 FLCPSAFNLCHWOM-UHFFFAOYSA-N 498.273 2.926 50 10 JFGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1865851374 ADGDELIGZVTNJZ-UHFFFAOYSA-N 478.530 2.668 50 10 JFGE CN(Cc1ccccc1CNS(=O)(=O)CI)C(=O)OC(C)(C)C 1983327029 HZWKGLLDWYBZSY-UHFFFAOYSA-N 454.330 2.865 50 10 JFGE CC(C)[C@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542845 LNEDBWMKOSQNJI-MAUKXSAKSA-N 463.369 2.740 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2027642394 MJPGYWSOCSLDJH-XKQJLSEDSA-N 469.401 2.744 50 10 JFGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(CBr)cc2)CCOCC1 2162601218 LCRKVFVYTJNMQC-UHFFFAOYSA-N 463.394 2.934 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204524763 IEXQXLAWISHLKP-WCIQWLHISA-N 457.434 2.855 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccccc1Cl 12501551 CWJWAEQONKNBBV-UHFFFAOYSA-N 459.696 2.894 50 10 JFGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c(C)c21 101615682 SJXFKMVYLXAGBT-LFVJCYFKSA-N 479.449 2.943 50 10 JFGE CCOc1cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc(Cl)c1OCC(C)C 169925235 CIUZHDDKXLOJOJ-AUEPDCJTSA-N 450.923 2.541 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1cnn(CCOC)c1 1084637662 YYQOWWNGCSBRGW-QGZVFWFLSA-N 468.587 2.550 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCCO1 1926759549 HSUIMZYOBBXLMX-HOTGVXAUSA-N 487.416 2.705 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)CC(F)(F)F 1942097852 KFHAKTHSMAGYBZ-NSHDSACASA-N 471.295 2.698 50 10 JFGE CC(C)[C@H](Br)[C@H](C)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535089 XXIGKQVAZDGPBD-XLWVJDPXSA-N 463.369 2.738 50 10 JFGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2106303956 ZQAWJQUGVBQHOU-ZIAGYGMSSA-N 454.431 2.716 50 10 JFGE CO[C@@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2263471221 LJNSLKUZKQPKMB-QMMMGPOBSA-N 465.989 2.900 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(I)CC1 2301025669 LPGTVFOMXBSFAF-UHFFFAOYSA-N 476.938 2.985 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 2329702186 RVIOUUNEOFUDHP-UHFFFAOYSA-N 465.491 2.840 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369332764 PCEYMYSJDMGLEQ-DXEZIKHYSA-N 456.967 2.928 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccs2)c(Br)c1 13979414 UWSLHFIZSFBTLE-FNORWQNLSA-N 454.371 2.933 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14033998 PSEVHSLKFQPEKC-LBPRGKRZSA-N 466.288 2.913 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc1 40759480 YPFHFLMYWHJMQT-UHFFFAOYSA-N 473.534 2.729 50 10 JFGE COc1cc(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c1O 58890856 LTTFAEREFPUAON-UWOKGBPVSA-N 454.264 2.969 50 10 JFGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 58992098 UFOWVYAMJRNVKA-LSHDLFTRSA-N 491.371 2.768 50 10 JFGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)CC1 254577698 HRWJHRAOCWZBML-UHFFFAOYSA-N 490.789 2.788 50 10 JFGE O=S(=O)(CCCl)Nc1cc(I)cc(I)c1 690356961 DGUYOPUWSGWCDE-UHFFFAOYSA-N 471.485 2.876 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1ccc(N2CCCC2=O)cc1 1084532356 JYQQQFPAXMTAQJ-UHFFFAOYSA-N 472.549 2.908 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1 1200232478 HGKPZGPBUNSZLJ-FUHWJXTLSA-N 454.527 2.903 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1)[C@H]1CCCO1 1616963773 JABFJXGPVIWVHX-PWJPEUPGSA-N 459.506 2.685 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(OC)c1 1860770061 RBJKJBIXMJQCMQ-UHFFFAOYSA-N 492.557 2.841 50 10 JFGE Cc1nc(I)c(NC(=O)[C@@H](C)Br)c(I)n1 1975070119 HCDYFXMXSBLTBO-GSVOUGTGSA-N 495.884 2.716 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117557 PDLONFFAYYMWAX-QITLCBANSA-N 461.353 2.588 50 10 JFGE CC[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2163052096 ZNMAYYIKSZQDID-VNQPRFMTSA-N 466.442 2.668 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(B(O)O)ccc1Cl 2243905067 JXDBQPFOBRGQRQ-UHFFFAOYSA-N 464.714 2.887 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 10276410 KZFBFKDOGCHEAI-UHFFFAOYSA-N 496.383 2.822 50 10 JFGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40623205 BCDPNBCBDKBJHH-UHFFFAOYSA-N 470.317 2.583 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/C(Cl)(Cl)Cl 59261650 NDPNKKWLWQXVRJ-KEBDBYFISA-N 473.777 2.821 50 10 JFGE CC(C)N1C(=O)C(=NNC(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21 254485915 GSTYZGOXUNBVRA-UHFFFAOYSA-N 481.516 2.932 50 10 JFGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 254618887 SGFZGGUUFNOUOB-UHFFFAOYSA-N 465.562 2.736 50 10 JFGE O=C1NC(=O)[C@H](c2ccc(I)c(Br)c2)[C@@H]1Br 300916689 VHYYKDHWWRBGBP-SFYZADRCSA-N 458.875 2.557 50 10 JFGE C[C@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703947794 RQQBXGNVONEJIN-PBHICJAKSA-N 457.390 2.888 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084205585 SIJJCMCGEUXWQG-UHFFFAOYSA-N 477.315 2.719 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c(OC)c1 1084594911 HOMAXDKUQYYXMO-UHFFFAOYSA-N 467.547 2.872 50 10 JFGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1290265555 NCVIRJCSUHVJKU-PBHICJAKSA-N 479.942 2.502 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2012592671 NHBVKPWCRMUCNL-QDMKHBRRSA-N 455.374 2.640 50 10 JFGE CC[C@]1(NC(=O)OC(C)(C)C)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106777521 UNMCMGWSQHRJGK-KRWDZBQOSA-N 454.431 2.860 50 10 JFGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179834738 LZSSFRZZHVWJKB-ZCNNSNEGSA-N 457.434 2.857 50 10 JFGE CN1CCN(C(=O)c2cc(I)ccc2O)[C@H](CCBr)C1 2202835332 SLUQZUYLILXMRF-LLVKDONJSA-N 453.118 2.538 50 10 JFGE C[C@H](CBr)CC1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2222871287 ZVUYJNKYFDMFRE-ORAYPTAESA-N 475.380 2.694 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2256637189 SFBWCKCEKDQKAP-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE COc1ccc(OC)c(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885317 XDVAMLDTKAMYKP-CQSZACIVSA-N 482.562 2.776 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)C[C@H]1CCCO1 2364214047 KMFRNJPYICBXPH-DLBZAZTESA-N 456.992 2.939 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCC12CC(CBr)(CO1)C2 2364228319 LHEWPGISVLCXOX-UHFFFAOYSA-N 471.975 2.619 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229864 NMOVALLFYHTIQB-LFYBBSHMSA-N 469.523 2.928 50 10 JFGE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 24320114 SBDFGGGFPRIZAI-UHFFFAOYSA-N 462.959 2.935 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1)NNC(=O)C1CCC1 59880233 BJIIORWHMDGJRD-AUEPDCJTSA-N 487.517 2.601 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 703947732 PUABDBIQEMQIAN-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CCOc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1O 1084098875 UADBAUTWBIMRPC-UHFFFAOYSA-N 467.547 2.959 50 10 JFGE C=C(C)[C@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccc(F)c(F)c1 1564596387 BNOIHBCBMQJTEG-INIZCTEOSA-N 451.499 2.828 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC[C@@H](Br)C1 2000001210 JULVCBOILUBGDG-HUUCEWRRSA-N 457.390 2.936 50 10 JFGE CC[C@H](C)N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544868 QJMOTGHGCXYJNV-SCLBCKFNSA-N 463.369 2.836 50 10 JFGE O=S(=O)(N[C@@H]1COC[C@H]1CBr)c1cc(Br)ccc1Br 2090323080 XRZDIEZUTSOHIQ-GMSGAONNSA-N 478.000 2.900 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2106777174 PZHZCNPVURLQJU-QKDCVEJESA-N 452.415 2.611 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234579192 IQUJXGPNONWWJA-YMTOWFKASA-N 454.077 2.914 50 10 JFGE O=S(=O)([C@H]1CC[C@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2356244887 ALNZDFOMNZKFNM-HAGHYFMRSA-N 457.434 2.855 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C[C@H]1C(F)(F)F 2361445639 CFMZJDWNSJPUDF-YLVFBTJISA-N 470.872 2.975 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812556 IIWIGIGCCZBKLI-NLRVBDNBSA-N 458.946 2.774 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Br)cc2)C1 730936119 IRTNXTAKABUNOY-YCPFAOKUSA-N 499.413 2.553 50 10 JFGE COc1ccc(N2C[C@H](C(=O)NN=Cc3ccc(I)cc3)CC2=O)cc1 1084571583 CROUFFRDOJIOGF-CQSZACIVSA-N 463.275 2.803 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)c2C)C1=O 1219059214 FQKICBQIIIBXGH-CQSZACIVSA-N 457.462 2.543 50 10 JFGE Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 1321415522 RDLSCTDTJVPKTF-KRWDZBQOSA-N 475.299 2.732 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2024779812 BKCQYAUXVAXTDI-OSMBCOQSSA-N 455.374 2.544 50 10 JFGE CC(C)[C@H](C)[C@H](CNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106296994 CYULFORXKOBWJS-ZFWWWQNUSA-N 456.447 2.866 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 2108228575 AZNBQRKBNQEEQB-SJCJKPOMSA-N 497.333 2.693 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1CBr 2261006323 XMJSICGXHUYEEA-ACWOFJMJSA-N 475.380 2.884 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1I 13981001 PCZWSYNMCLWGGJ-UHFFFAOYSA-N 454.264 2.757 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 14042178 ATLMUJCTPUOIMW-UHFFFAOYSA-N 469.304 2.639 50 10 JFGE O=C(/C=C\c1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 34984130 XCNSEJXUECSEAI-YPKPFQOOSA-N 460.559 2.972 50 10 JFGE COc1ccc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)c(OC)c1OC 254406556 DIUBZFKALDRXDK-UHFFFAOYSA-N 453.455 2.938 50 10 JFGE C#CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 731012213 HSHWVBMUFICJHL-CYVLTUHYSA-N 469.501 2.992 50 10 JFGE CS(=O)(=O)NC1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843900348 AIWHNCMCNSHWSN-GHRIWEEISA-N 486.985 2.564 50 10 JFGE C#CCN(CC(=O)NNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)C(=O)OC(C)(C)C 1160813138 SPUPEDDCRHFCSA-UHFFFAOYSA-N 450.421 2.871 50 10 JFGE C#CCCCC(=O)NNC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1646462659 VUKGAKDOGIFGJM-NRFANRHFSA-N 456.340 2.800 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 1942097051 GAVQUXSHYUHJQA-IFXJQAMLSA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)c1cscn1 2006869216 ISPJPFNIFBPJRD-AWEZNQCLSA-N 472.386 2.575 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 2325045302 QUUUJHZZCOIWDQ-CQSZACIVSA-N 467.478 2.974 50 10 JFGE CN1CCC(CBr)(NC(=O)Cc2ccccc2I)CC1 2380733141 NWEAZYSGGZSBID-UHFFFAOYSA-N 451.146 2.809 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 10042515 DFIOUZIJFYVINE-JXMROGBWSA-N 478.368 2.880 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1OC 13977325 AHWKAVJSUHDRCC-XYOKQWHBSA-N 465.531 2.971 50 10 JFGE Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cnc12 17200683 SJGDGIAZKPKEGX-UHFFFAOYSA-N 460.465 2.884 50 10 JFGE O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)sc2=O)c1 33959590 KHAQRQWATUNKAL-ZVBGSRNCSA-N 460.855 2.982 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccncc1 58990150 PYFPOGCITIDBRJ-SSDVNMTOSA-N 476.360 2.545 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 101591910 STCKPRSNWASWIP-LGUFXXKBSA-N 460.490 2.898 50 10 JFGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 254498132 NVRZUPUHEOAPAE-UHFFFAOYSA-N 479.467 2.637 50 10 JFGE CC1(C)C[C@H](Br)C[C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703948185 IOERFXGSHIFRAN-ZIAGYGMSSA-N 457.390 2.934 50 10 JFGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc2c(c1)OCO2 1084602795 CQJWQBSCSSBCBH-UHFFFAOYSA-N 466.567 2.919 50 10 JFGE C=CC(=O)N(CC)CC(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 1463707839 AHSGENCGRDJLJP-UHFFFAOYSA-N 456.502 2.796 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 1622759019 XGVNPTWCRCIBDD-QRWLVFNGSA-N 454.483 2.627 50 10 JFGE CC(C)[C@H](CI)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1936743610 AWTWOMWRWUJSGH-INIZCTEOSA-N 492.379 2.832 50 10 JFGE C[C@H]1C[C@@H]1N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002033951 BZWZGRUVFNWOIC-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003587541 CATNVKFSOVHBFE-GFCCVEGCSA-N 467.332 2.791 50 10 JFGE CC[C@@H](C)[C@@H](CI)NC(=O)c1cnn(C)c1I 2023034386 SGURCYRPQHPZPE-VXNVDRBHSA-N 461.085 2.604 50 10 JFGE C[C@@H](Br)[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074730248 RJWNDZYUPHUQPL-ZWNOBZJWSA-N 485.322 2.943 50 10 JFGE CC(C)(C)OC(=O)N1CC(C2CCN(S(=O)(=O)N3CCC(Br)CC3)CC2)C1 2176945857 LDEQQSRRNXIGRH-UHFFFAOYSA-N 466.442 2.669 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1n[nH]cc1CBr)C2 2179867722 ZZUGSFREMKKOCA-RTBURBONSA-N 453.406 2.837 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2256642302 WXGSVSLIABOJKG-RUZDIDTESA-N 472.350 2.546 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCS[C@@H](CBr)C1 2316691034 SGQYKMMHXRGBQE-LURJTMIESA-N 462.005 2.898 50 10 JFGE CC(C)(C)OC(=O)NCCOC[C@@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325062179 CWMPNNGKCFLNTJ-HXUWFJFHSA-N 497.680 2.867 50 10 JFGE Cc1ccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)n(CCN(C)C)c(=O)c43)c3ccccc32)cc1 39919013 CKCFNRXSEAIWGZ-GDLZYMKVSA-N 495.583 2.946 50 10 JFGE O=C(CSc1ccccn1)NNC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 59485248 IJPHEBKGNQZERA-UHFFFAOYSA-N 453.549 2.761 50 10 JFGE C[C@@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534590 LFDSJZUWJKJWAH-VVHKTUBJSA-N 480.985 2.688 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(OC)cc3)nnn2-c2nonc2N)cc1 254316706 KKXIUUPLFQOAJF-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1CBr 687613687 QIQORJWLFJMSCT-ZETCQYMHSA-N 452.621 2.864 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 726769136 GQXYRJDTODRBAR-KNGGAZFVSA-N 492.624 2.968 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 1084270320 LNWMLPZGAVAJMK-UHFFFAOYSA-N 476.327 2.539 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(Br)ccc3O)n[nH]2)c1C 1654379555 HFIFDGGOHXJQMS-UHFFFAOYSA-N 459.304 2.619 50 10 JFGE CC(C)(CCl)C(=O)Nc1c(I)ncnc1I 1983736216 WEFTTXYHWAJFJH-UHFFFAOYSA-N 465.460 2.889 50 10 JFGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531332 AKNYFNVDXUBCJV-VBHSOAQHSA-N 463.369 2.740 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 2030220334 UGCPMOFLWXMFLA-DLBZAZTESA-N 469.401 2.744 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H]2COC[C@H]21 2158391436 DKVWKJHEFZVMCO-INTQDDNPSA-N 490.011 2.994 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2162590792 FPOGQJZRXPLUTI-YJBOKZPZSA-N 466.442 2.860 50 10 JFGE Cn1ncc(C(=O)N2C[C@@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2163358230 IQTXHDPCVZSEQI-SVRRBLITSA-N 466.039 2.670 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 2297397793 ILDYVSBUCGWJHT-UHFFFAOYSA-N 496.589 2.862 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1)c1ccc(-c2ccccc2)cc1 2297709367 YAGWGUPZQPWJEZ-UHFFFAOYSA-N 471.525 2.649 50 10 JFGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2302572433 UXVBVBFBAGZSEB-CRAIPNDOSA-N 463.369 2.692 50 10 JFGE O=C(O)CCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 12491566 ZVNPKCYPLIISDT-UHFFFAOYSA-N 474.105 2.756 50 10 JFGE O=C(COc1cccc([N+](=O)[O-])c1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 20074122 NXNXYOGTACIGGN-UHFFFAOYSA-N 498.087 2.971 50 10 JFGE CN1C(=O)/C(=N\NC(=O)CSCC(=O)Nc2ccccc2)c2cc(Br)ccc21 59148401 XLCXKRMNNLRUIH-NKFKGCMQSA-N 461.341 2.618 50 10 JFGE CCOc1c(OC)cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] 169919589 KVSLHBXGUNWGBF-OYKKKHCWSA-N 450.451 2.976 50 10 JFGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1cccc2ccccc12 206641457 MMAXLFRGKNGVQK-RAXLEYEMSA-N 450.476 2.862 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2nccnc2C2CCC2)cc1 1627137961 UEPMTAIFKFAZQB-IBGZPJMESA-N 457.556 2.633 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2O)nnc1-c1ccc(Cl)cc1 1634143323 ITHFNGSCSDQVGK-UHFFFAOYSA-N 457.943 2.972 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 1638058445 YPUYVNXSJFSVFS-GFCCVEGCSA-N 453.264 2.785 50 10 JFGE CC(C)(C)OC(=O)Nc1ccccc1OCCNS(=O)(=O)CI 1986103029 IGSJYKXAAQHACR-UHFFFAOYSA-N 456.302 2.724 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2COCCOC2)C1 2024294568 UUKNAPDKCMSTAM-KRWDZBQOSA-N 455.333 2.871 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2106302590 NHLLDFBPBVISQP-RHSMWYFYSA-N 452.415 2.612 50 10 JFGE CCC1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2106304211 CLFAIRXRHDBJLD-UHFFFAOYSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2106784649 KAZVSERATZNMDN-SOUVJXGZSA-N 453.443 2.762 50 10 JFGE O=C(N[C@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(O)c1 2206486522 RPQKONFZZUMNQC-JQWIXIFHSA-N 452.086 2.812 50 10 JFGE C[C@@]1(CBr)C=CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2246356800 VTKVFBZPNBTIIA-IBGZPJMESA-N 455.374 2.808 50 10 JFGE O=C(c1c(F)cccc1I)N1CCN(CCCBr)CC1 2282811324 YSCFBXVTRPCIFW-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2326789730 ZABGSZJBCUGAPM-QFIPXVFZSA-N 480.276 2.900 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Cl 2364208508 JHWBSXHEZMICSW-MSOLQXFVSA-N 454.976 2.691 50 10 JFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502896 SEGUXVQSXPYFHS-UHFFFAOYSA-N 469.350 2.813 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1OC 40583763 PYRRDPBPPOCLIE-UHFFFAOYSA-N 468.470 2.822 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1/C(=O)NC(=O)C(C#N)=C1C 109155338 MNKXBPDGONZGJO-SFQUDFHCSA-N 452.492 2.597 50 10 JFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 254704273 HJGKISQKZPUGBC-UHFFFAOYSA-N 495.557 2.892 50 10 JFGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)c3ccc(Br)cc3Cl)[C@H]2C1 1635917713 HGNVBLVANCSOSZ-HZUKXOBISA-N 457.756 2.694 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751833 NQGRUHRLKLVCRP-UHFFFAOYSA-N 491.460 2.747 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772047 PHVIJVKJYNBAGV-UONOGXRCSA-N 454.552 2.543 50 10 JFGE CN1C[C@H](Br)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2029860903 NAGPWTDRKDFSCK-GXSJLCMTSA-N 487.961 2.861 50 10 JFGE C[C@H](Br)[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074737876 MWCDDRVAZYEXLR-TURKWSHLSA-N 489.285 2.645 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(Br)cc2I)[C@@H]1Br 2212612630 JOTPQKIALOUPRW-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2248892261 HFBHWKBJJPRYEG-HNNXBMFYSA-N 478.379 2.922 50 10 JFGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325216478 NCPOGYZNVVEDPX-UHFFFAOYSA-N 475.914 2.601 50 10 JFGE CO[C@H]1C[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338690135 CXHDVGSAOSAVMS-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 13978539 QDTYVNCVQJHMNY-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE O=C(/C=C/c1ccco1)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13979232 XPVLAETXIMPIPB-GQCTYLIASA-N 458.721 2.810 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccccc1[N+](=O)[O-] 14025868 ARUBCVMHBQYQRQ-UHFFFAOYSA-N 458.652 2.616 50 10 JFGE CC(=NNC(=O)[C@@H]1C[C@H]1C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 252623002 OHPMRYAXDPTKQM-RTBURBONSA-N 452.427 2.520 50 10 JFGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254484309 JACDEQWFEYDXAH-UHFFFAOYSA-N 478.538 2.996 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCC1 703994802 YBNUAASBNKRIIP-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE CCN(CC)Cc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)o1 727374170 NSLFPYRAIRDSOG-UHFFFAOYSA-N 469.586 2.846 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1OC 1084062864 SUFNUEOHISGLRV-UHFFFAOYSA-N 491.371 2.681 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(F)c(F)c1 1084245831 WJPQXPRWTUDTPO-UHFFFAOYSA-N 468.493 2.778 50 10 JFGE COc1cc(C(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc(OC)c1OC 1772752946 NNCIRIAIRVKHNM-UHFFFAOYSA-N 454.233 2.853 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2046024949 FHQSKTNBYHYPBH-LYMQGIMYSA-N 473.364 2.588 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179811082 IYMFNNQMWISRAB-LJQANCHMSA-N 453.406 2.900 50 10 JFGE O=S(=O)(c1occc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179827766 IYAYRIASCMHZIX-ROUUACIJSA-N 455.374 2.839 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179869433 XVNFOJPALNEINY-BGYRXZFFSA-N 456.450 2.936 50 10 JFGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2248891334 FAXYXZNNRPRRDM-OAHLLOKOSA-N 478.379 2.922 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268628107 CKWHVGRCKKGDEB-AREMUKBSSA-N 486.377 2.888 50 10 JFGE NNC(=O)c1occc1COCc1ccc(I)c(Br)c1 2377637724 GDXCOQGTTAPTNK-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623405 JKCRQOINKMQVTG-GOSISDBHSA-N 452.580 2.668 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(O)c1 58991803 AMSUNOVARXRICZ-MFKUBSTISA-N 483.598 2.939 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596826 FOWLLYWJJTUWCA-XIEYBQDHSA-N 491.460 2.747 50 10 JFGE CC(C)C[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541875 JCWPNMCWXJCYAK-UGSOOPFHSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CC12CCC(Br)CC2 2039783249 CNEBMKDFXDYUFO-BQTBQCLESA-N 469.401 2.936 50 10 JFGE CC1(C)CC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024023 XDECTSWDHLTRIJ-SFHVURJKSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCC1 2046028667 KGUIRJLBNVBADT-IBGZPJMESA-N 475.380 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C)(CCBr)C1 2068154272 FJBLNOXZIACXAJ-MOPGFXCFSA-N 475.380 2.838 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2138979511 SCTXYXVGUAZCDU-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163051783 WSNCILJYPHRPGS-UHFFFAOYSA-N 463.394 2.886 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188887434 RZHLAGRYOVPYGN-MJGOQNOKSA-N 453.406 2.563 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2364202875 XUROTLJBIWRCEP-IIBYNOLFSA-N 499.427 2.801 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccccc2OCC(=O)O)nnc1-c1ccc(OC)cc1 2289726 NWEUIWXQYCJPKC-UHFFFAOYSA-N 469.523 2.679 50 10 JFGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623504 GZOBLZMITNWDRC-LJQANCHMSA-N 482.606 2.796 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2N)cc1 40759503 UZEDKNCAWJPUKU-UHFFFAOYSA-N 469.571 2.519 50 10 JFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1OC 58987606 RVJKRUXHKGXXKZ-PCLIKHOPSA-N 468.583 2.817 50 10 JFGE COCC(=O)NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 59777217 WFVDNMLFOLNZJC-UHFFFAOYSA-N 476.356 2.583 50 10 JFGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC1=NS(=O)(=O)c2ccccc21 263628049 LEOWPCFTTGNDGN-UHFFFAOYSA-N 480.458 2.895 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cnn(CCN3CCOCC3)c2)c(-c2ccccc2)n1 728538060 BGVOLMBBJTYLPK-QNGOZBTKSA-N 470.537 2.538 50 10 JFGE CC(C)[C@@H](OC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N(C)C 729694529 JYPALLREQROBHX-NRFGWYQLSA-N 471.945 2.642 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)cc1 1200232482 HGKPZGPBUNSZLJ-WMZOPIPTSA-N 454.527 2.903 50 10 JFGE C/C(=C\C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccc(C(F)(F)F)c1 1566973790 NGYVEWVRTUVHFB-FMIVXFBMSA-N 455.296 2.935 50 10 JFGE CN(CC1(CBr)CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1915548772 CCNCGFTVRSVRRI-UHFFFAOYSA-N 457.390 2.746 50 10 JFGE CC1(C)CC(CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1999808581 ROPFGLXQIZHEMU-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE BrCCOCCOCc1cn(-c2ccccc2I)nn1 2189872283 CXRLQZFPKCOHRX-UHFFFAOYSA-N 452.090 2.800 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2205239585 HYNKGXHUHNCHFG-KSSFIOAISA-N 466.442 2.717 50 10 JFGE COC(=O)c1ccc(Cl)cc1NC=C1C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 2296535520 QAUPNRDFPKOLRZ-UHFFFAOYSA-N 470.913 2.644 50 10 JFGE Cn1cc(C(=O)NN)c(CSc2cc(I)ccc2Br)n1 2363657852 UMHDLVGBIVTRSD-UHFFFAOYSA-N 467.130 2.683 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2364202876 XUROTLJBIWRCEP-KKSFZXQISA-N 499.427 2.801 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 9696105 VBFIGCMXQIOCCF-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(OCCOc2ccccc2)cc1 13623191 FWWGQRQDZQQSCL-JOCHJYFZSA-N 473.529 2.954 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c(Br)c1 13977739 VBALGAJEDUXLQB-UHFFFAOYSA-N 462.344 2.634 50 10 JFGE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 103003518 LJQQGZYFCPKKAW-WAKXPGHKSA-N 480.498 2.513 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\NC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 216795114 YQEYONKJQNKRQP-VLGSPTGOSA-N 458.559 2.759 50 10 JFGE Cc1[nH]c(C(=O)NN=Cc2ccc3c(c2)OCO3)c(C)c1C(=O)NN=Cc1ccc2c(c1)OCO2 254828476 OESKNOYZTTYVBR-UHFFFAOYSA-N 475.461 2.617 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2Cc3ccccc32)cc1 920853876 GVIDTMBZTASNST-UMSHPIDHSA-N 455.518 2.797 50 10 JFGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1084296174 RZRDPBFNDKZTQW-UHFFFAOYSA-N 469.527 2.988 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)c1 1644838182 MYTKSXNMPIPPCQ-UHFFFAOYSA-N 455.483 2.564 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1860770112 UAVDUUOLCKADIR-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 1860771033 GZYBPIDFIAYRLS-NWDGAFQWSA-N 455.496 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1CCC[C@H]1Br 1913738606 TWKCXRKTADUBSP-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE CN(CC(F)(F)CBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1945723827 FYWAJDHTHNKTPW-UHFFFAOYSA-N 467.332 2.745 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)CC12CC2 2050618580 MUIHCFZUBCPMOQ-SCLBCKFNSA-N 473.364 2.733 50 10 JFGE CN([C@H](CCBr)C(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2058221101 QMKGRTXXYJZQJW-DYVFJYSZSA-N 485.322 2.691 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508879 OZVDODRIHUEZBM-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C)cc1 2313574313 NHVKYALGAGQODG-KRWDZBQOSA-N 470.016 2.982 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2328799201 ALHQJRSVEVLKKA-INIZCTEOSA-N 474.514 2.821 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 10505964 JMVOAVATJDNTBF-UHFFFAOYSA-N 458.323 2.969 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 12491953 PSCSEVFUQQGHPM-UHFFFAOYSA-N 454.264 2.702 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 215727650 FSLKNVJZUZSDSY-SUMDDJOVSA-N 450.630 2.571 50 10 JFGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1545967806 KCIKPIJQORQKLN-SFHVURJKSA-N 455.458 2.959 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cccc(Br)c1Br 2031487763 YIZIJWHACGFPNT-MRVPVSSYSA-N 490.917 2.918 50 10 JFGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1ccc(S(C)(=O)=O)cc1 2049399106 NQIKDXDABNQLDJ-IUDNXUCKSA-N 450.294 2.679 50 10 JFGE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)N2CCC(Br)CC2)CCCC1 2106303089 QOYZQEQIXQYODR-UHFFFAOYSA-N 454.431 2.765 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2106776163 FIOCBBREFGIRLB-SUMWQHHRSA-N 454.431 2.573 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 2163050452 JYEUHCZQAVHCIV-BBRMVZONSA-N 463.394 2.884 50 10 JFGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1 2296546413 XMDLPNLVIJLTDL-UHFFFAOYSA-N 472.549 2.699 50 10 JFGE C[C@@H](Br)CCCN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2299506876 IHZBIZFSPGMKAS-ACJLOTCBSA-N 463.369 2.836 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@H]1CBr 2301116330 DJGDLPRVVWWXBF-LSDHHAIUSA-N 457.390 2.793 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10294211 SGVARZBGCFNSBP-UHFFFAOYSA-N 476.514 2.675 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825708 ZBZDYFAHMDWIHI-ZTKZIYFRSA-N 475.549 2.669 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 254010677 HHNUMUJCNMAZHW-UHFFFAOYSA-N 459.505 2.776 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H](Br)C1 703967254 QCDOTSWGSKETRI-KBPBESRZSA-N 457.390 2.934 50 10 JFGE CN([C@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709149370 GINPIRUQBWXCEY-CVEARBPZSA-N 457.390 2.886 50 10 JFGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917530380 HUOZLKGWGIBBSI-UHFFFAOYSA-N 481.416 2.833 50 10 JFGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1865845096 IFJAAJYBWZBCNL-UHFFFAOYSA-N 476.514 2.681 50 10 JFGE CC[C@H](C)[C@H](CI)NC(=O)c1cnn(C)c1I 2023034384 SGURCYRPQHPZPE-CBAPKCEASA-N 461.085 2.604 50 10 JFGE CN(C1CCC(Br)CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022695 MDEIUNSNPMFLND-MHVYXZCWSA-N 475.380 2.979 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046024335 ZSOSQNHBFQVMJY-LPMFXHHGSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)NS(=O)(=O)N1CCC(Br)CC1 2106298163 KGAXBZIKDKODTD-CQSZACIVSA-N 454.431 2.858 50 10 JFGE O=S(=O)(NC[C@]12CCC[C@@H]1CN(Cc1ccccc1)C2)N1CCC(Br)CC1 2162209618 OGHBNZSBTLAPRX-QUCCMNQESA-N 456.450 2.982 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCCO1 2163052316 CBHRJIVGWJSTQP-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2301117598 RLOPVCVGFIQORX-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccc(B(O)O)cc1 2319026069 FBPYYNIRFMAIHM-KRWDZBQOSA-N 470.334 2.615 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 14033989 LDBFUFFQWXFZOT-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)CSCc2ccccc2Cl)c2ccccc21 59167338 IFZINFLSAQTNHO-YYADALCUSA-N 458.971 2.967 50 10 JFGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1 254895517 QBERHMPRBZOJOG-UHFFFAOYSA-N 454.351 2.844 50 10 JFGE CC1(C)C[C@H](Br)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703951028 OBIGAPCUSWIHMR-CQSZACIVSA-N 457.390 2.888 50 10 JFGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 1084624031 RAGZPQBVYKPYIV-UHFFFAOYSA-N 485.537 2.732 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)c(C)nc2c1 1860769661 CEQMEOMCPKGTSX-UHFFFAOYSA-N 472.530 2.851 50 10 JFGE CC(C)(C)OC(=O)NCCN(C1CCCC1)S(=O)(=O)N1CCC(Br)CC1 2130050809 GQMKTAFPKLVKIP-UHFFFAOYSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCCC[C@@H]21 2179458537 NGFSVODQNUIQOS-JYJNAYRXSA-N 466.442 2.858 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1C 2297430386 KWODAQHMTSKROQ-UHFFFAOYSA-N 493.608 2.970 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2306813793 XJPDXTWOSOOGHT-XJKSGUPXSA-N 455.374 2.546 50 10 JFGE COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(OC)c1OC 59720917 GOIFNWRYURRVBL-UFFVCSGVSA-N 469.279 2.879 50 10 JFGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccncc3)c(C)c21 101600943 LGOMGPMYQXZGIV-YZSQISJMSA-N 461.478 2.537 50 10 JFGE COC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 254813395 KEPMPTGZGPRXTF-UHFFFAOYSA-N 475.523 2.528 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)C(F)(F)Oc1ccccc1 1444674954 XNDWVLCMOPOJLX-UHFFFAOYSA-N 457.227 2.850 50 10 JFGE C=Cc1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1681350066 RUJNALWLPINSPB-UHFFFAOYSA-N 456.568 2.691 50 10 JFGE COCCOc1ccc(/C=C(\C#N)C(=O)N2[C@H]3CC[C@H]2C(=O)N(Cc2ccccc2)C3=O)cc1 1866385662 GFXZRIOEUIOAOE-UXXMOODWSA-N 459.502 2.547 50 10 JFGE Cc1nnc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867032680 JREHJPYIBRNFBX-MOPGFXCFSA-N 451.508 2.589 50 10 JFGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2020200134 YYDDHBUCMYTHJY-GASCZTMLSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@H]1Br 2046030358 XMXWVRYPJZUSDU-NRXGSXMXSA-N 475.380 2.884 50 10 JFGE CN([C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163054007 SSWKSHKYWFIBNU-MUJYYYPQSA-N 466.442 2.953 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(Cl)cc1I 2231679618 ZSAHAUMJVRTNHG-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE Cc1sc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2248400912 CMYARBLRESYCGU-HNNXBMFYSA-N 478.379 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2329487624 KAZVSERATZNMDN-KFWWJZLASA-N 453.443 2.762 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 12500938 OYHVWRBGWITHKO-UHFFFAOYSA-N 457.693 2.960 50 10 JFGE O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1[nH]c(=O)nc2ccccc12 13301111 RLVOCFHCHRGLOQ-UHFFFAOYSA-N 491.099 2.534 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccncc3)n2N)c(O)c1 58991795 AQMJJFFBWHJRKS-MFKUBSTISA-N 468.587 2.628 50 10 JFGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C)c(Cl)c2)c2ccccc21 59158035 MYMUBNISVCEOHG-XTCLZLMSSA-N 456.930 2.763 50 10 JFGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc2c(O)cccc12 217079555 ZRMLKHPHOGYDLN-ZCXUNETKSA-N 462.531 2.898 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1 1084419704 BTNJECKSKUYIQD-UHFFFAOYSA-N 461.434 2.701 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772025 ORIROUSUKVSMBX-OLZOCXBDSA-N 470.551 2.622 50 10 JFGE O=S(=O)(CI)N1CCCCN(Cc2ccccc2)CC(F)(F)C1 1983327430 MLTGTTHBGBFSEO-UHFFFAOYSA-N 458.312 2.942 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)[C@H]2CS(=O)(=O)C[C@H]21 2106787877 LFBRUPRUMZMBJT-HRCADAONSA-N 451.427 2.516 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)CC2 2166615080 PXRSKFBAWSXTDY-HOTGVXAUSA-N 466.442 2.954 50 10 JFGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2314436812 IDYXMOWBBXMMNL-LJQANCHMSA-N 492.557 2.622 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)Cc2cccc3ccccc23)cc(OC)c1OC 13976979 UZWLDMRATDBYBF-UHFFFAOYSA-N 453.520 2.744 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 14655709 ZGCLMALRLRNEJW-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 35166939 WJDRBOCHEFKLRC-QKXOWGBTSA-N 455.496 2.555 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H](C)c2nc(C)cs2)c1 727942635 VCBKJWDTNBZAKK-CQSZACIVSA-N 489.579 2.966 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860770050 QKSJELLHZDCZOR-UHFFFAOYSA-N 478.530 2.912 50 10 JFGE C[C@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087177 FKPKRQKBDLFREK-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C(F)(F)F 1942830497 DDQAMKWNJRKCNU-LBPRGKRZSA-N 471.295 2.554 50 10 JFGE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC1CC(Br)C1 2020233517 GVOJKBJICZRGCW-NRXISQOPSA-N 462.362 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 2056573076 VCLVGWGGSODLRU-MOPGFXCFSA-N 473.364 2.592 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CCl)OC2(CCC2)C1 2165764159 ILUWKVWDMMUKJE-MRXNPFEDSA-N 454.976 2.645 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185291395 ASXLKOMEKKHPDE-IRUJWGPZSA-N 452.086 2.764 50 10 JFGE Cc1cc(CN(C)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2248889943 AEELARHTSXNAOY-UHFFFAOYSA-N 478.379 2.624 50 10 JFGE CC(C)[C@H](CBr)N(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2302552402 UEJWCIFQOPPQJJ-INIZCTEOSA-N 459.406 2.990 50 10 JFGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(CCOCCI)C2)CC1 2326647883 ORXUKEKDTQDNAE-MRXNPFEDSA-N 467.392 2.501 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 33715953 SYCJIBKSXLEKPM-OWBHPGMISA-N 469.295 2.919 50 10 JFGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254835146 XHUDMAUJMOJYHL-UHFFFAOYSA-N 464.511 2.687 50 10 JFGE CC(C)(C)SCC(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084284259 AVNLNFMUDJSEGQ-UHFFFAOYSA-N 464.547 2.681 50 10 JFGE CCC(=NNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 1084318866 GPGJCSCEXJWWNF-HNNXBMFYSA-N 461.540 2.551 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772378 XCYBHPOXIOGGKA-GJZGRUSLSA-N 454.552 2.679 50 10 JFGE O=C(NCCOCCCI)c1cccc(I)c1 1997684680 XRTZEVXYAQWQIO-UHFFFAOYSA-N 459.065 2.863 50 10 JFGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2008892794 PZTAASQQBQXZIP-CYBMUJFWSA-N 471.295 2.650 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)c(Br)s1 2057674424 IBDHOQDQOLTFOT-WDSKDSINSA-N 482.013 2.563 50 10 JFGE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106779649 QAQMERFHKAYJDB-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C(F)(F)CC1 2162599870 GMQKJRFGTJPDQQ-ZDUSSCGKSA-N 476.384 2.715 50 10 JFGE O=C(Cc1ccccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185320703 YACPCTYDGVKUTC-KWCYVHTRSA-N 450.114 2.987 50 10 JFGE Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2248904248 VVJWIHTXVFFECP-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1cc(I)ccc1Br 2303594743 LCXNVSDQFBNCCG-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2364215421 TXOVFMJBZJXPRR-SFTDATJTSA-N 499.427 2.849 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 10000656 QJDWNGXLFOAEKW-CSKARUKUSA-N 478.368 2.880 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13979220 BMZFWMSYWMKJGR-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 15708502 SDYJALYHZATOCX-UHFFFAOYSA-N 459.550 2.727 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59165346 QTAGVINOCDCAJB-ZZIIXHQDSA-N 487.472 2.788 50 10 JFGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc(OC)c1OC 254876080 PMTXPQZWVBCYNO-UHFFFAOYSA-N 482.537 2.864 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cccc4cnccc34)CC2)cc1 1472549974 XRGGNJWQVMQIFK-UHFFFAOYSA-N 452.536 2.981 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2Br)c1 1596808405 RFUAEOOTIDGUKD-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1872961903 NKJKVFOKCTZFPM-HZPDHXFCSA-N 486.370 2.579 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]1(C)CCBr 2025223390 LNVUHOKFPXLNST-LJQANCHMSA-N 457.390 2.888 50 10 JFGE Cc1cc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2248903128 PUXILUOPMASFGG-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE Cc1c(Cl)cc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2255481531 IRMQDNOBCPHYOE-UHFFFAOYSA-N 460.767 2.885 50 10 JFGE C[C@@H]1COCCN1CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2257736785 SFNGTUAYIFPERP-QAPCUYQASA-N 468.376 2.928 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@@H](Br)C1 2301130994 GBSYEXFPOANCTA-GASCZTMLSA-N 457.390 2.936 50 10 JFGE CC(C)[C@@H](Br)C(C)(C)CN(C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2302056437 XZKLYVJKUJLJNK-MRXNPFEDSA-N 459.406 2.990 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 2308193272 LGAOQGXAYVUOKO-FHLIZLRMSA-N 469.401 2.888 50 10 JFGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313617236 RSJBSQGGFQNHLH-UHFFFAOYSA-N 452.305 2.702 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2339937514 HTDNVVYBDDMCAR-SANMLTNESA-N 484.361 2.568 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c(Br)c1 12570848 MVGRRMRTRUCNJI-UHFFFAOYSA-N 491.161 2.828 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13980043 NOXXIPWMUABBKB-UHFFFAOYSA-N 495.473 2.885 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 14847489 GFVKQEAIAGBYAX-KRWDZBQOSA-N 461.559 2.985 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(-c2ccccc2)n1 918100687 ACBWFCLTTQPAQY-HMMYKYKNSA-N 465.517 2.946 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852405 VJGJMBGJYYRFHX-CABCVRRESA-N 468.579 2.933 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NCCOCCI)C1 1904643542 XEOZGDNRCNONGO-JCQPUDPBSA-N 460.378 2.935 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NCCOCCI)C1 1904646888 NQOKEFGDGVMESS-NSCUQIJASA-N 460.378 2.839 50 10 JFGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545537 SIMNFSJRVBQTRM-RKVPGOIHSA-N 461.353 2.588 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2046018532 JGZNGJZHHQSEEM-VYGYDYRJSA-N 473.364 2.731 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 2046022192 ICTNEAMLADVSTP-BMIGLBTASA-N 489.285 2.504 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C12CCC2 2046028664 KFXRVEHVVWXBNW-MAUKXSAKSA-N 473.364 2.733 50 10 JFGE C[C@@H](Br)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2128863629 FTZAFHWRJVFWPH-CABCVRRESA-N 487.416 2.513 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2163052289 BWLNKZJGBGLHTQ-LSDHHAIUSA-N 466.442 2.669 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(S(=O)(=O)N1CCC(Br)CC1)C2 2163328427 UFEAJQQILLNBED-UHFFFAOYSA-N 466.442 2.814 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NS(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@@H]21 2175944807 RUKOUMYZFXRQGW-QLFBSQMISA-N 466.442 2.714 50 10 JFGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(Br)cc3Br)C[C@@H]2O1 2265028659 YMSWVIHHIWFMSO-IEBDPFPHSA-N 456.960 2.974 50 10 JFGE COCCN(C=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 2325384782 LRHMEPIDPKDKRV-CQSZACIVSA-N 465.881 2.840 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662531 NXSSHNRXALNNNG-UHFFFAOYSA-N 464.316 2.898 50 10 JFGE COc1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1 254386976 YHFSQWRVEITBMH-UHFFFAOYSA-N 470.482 2.524 50 10 JFGE COc1ccc(C(=O)NNC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(OC)c1 730683445 YDNBNNZEYKRTJN-CQSZACIVSA-N 460.506 2.509 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CBr 2000534333 VNDZNBUZBSMWBD-SCLBCKFNSA-N 461.353 2.590 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](CBr)C1 2046023348 RJYRXFMVAILFPW-LIRRHRJNSA-N 475.380 2.838 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CC2 2070143475 VREOOTKZSBUNNQ-FZKQIMNGSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(CC2CCC2)S(=O)(=O)N2CCC(Br)CC2)C1 2163059137 QRTKPAGCODCFLY-UHFFFAOYSA-N 466.442 2.812 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(B(O)O)cc1F 2248901290 JARNYFLSRMBBSB-UHFFFAOYSA-N 462.286 2.763 50 10 JFGE COc1ccc(C(=O)NNC(=O)COC(=O)C(C#N)=Cc2cc(C)n(CC(C)C)c2C)cc1OC 2297363978 WZDCXUDLSRIKLQ-UHFFFAOYSA-N 482.537 2.690 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2328799910 SCWOBPODQOQYOJ-SFHVURJKSA-N 476.530 2.971 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O 2328818669 GOJKJWKOXFJUOI-ZETCQYMHSA-N 481.141 2.986 50 10 JFGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 10671509 DFXCOUAUBKAHAH-CYBMUJFWSA-N 461.540 2.839 50 10 JFGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 59147307 UKPCFLLYAAKDKP-WEMUOSSPSA-N 450.539 2.756 50 10 JFGE C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)cc2C1 749160624 BJTRABLFPFAKBQ-GXTWGEPZSA-N 453.611 2.549 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 1083907034 PIBMDAZYTDOHAS-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE CC(C)(CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)OCCBr 2029233948 ZLNDYWDALRJZQQ-UHFFFAOYSA-N 475.405 2.562 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2CCCC[C@H]21 2163051190 QTAGPMSSVGZGDM-CVEARBPZSA-N 466.442 2.954 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(C)c1 2301661716 KBXULKILUHWMSB-DEOSSOPVSA-N 458.323 2.931 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1Br 2313617142 IRGFKSGWVDQPRL-UHFFFAOYSA-N 494.367 2.824 50 10 JFGE CCOC[C@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325066073 VHMFWQNJEDYRGZ-FQEVSTJZSA-N 497.680 2.867 50 10 JFGE OB(O)c1cc(Cl)cnc1Sc1cc(I)ccc1Br 2338312232 CQBUTFSFYYJODN-UHFFFAOYSA-N 470.322 2.933 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(Cc3cccc(F)c3)c3ccccc31)C(C#N)=C(N)O2 39919017 AZUHIUCFFUWUQM-NDEPHWFRSA-N 499.546 2.777 50 10 JFGE COc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c(OC)c1 1084060639 VYHDPIZGDWGHIE-UHFFFAOYSA-N 468.583 2.817 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1 1670662499 DUONADYYFISVET-CQSZACIVSA-N 457.462 2.568 50 10 JFGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)c1ccccc1O 1772718578 IDLNFAYXZLOMOC-IBGZPJMESA-N 496.545 2.729 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2042541502 AXTZGCCECCAIEI-OQUILHJVSA-N 469.401 2.790 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2046030425 YHZWLMNFSIQUIM-BEFAXECRSA-N 475.380 2.836 50 10 JFGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2109492325 DNGAWFUSLHWNPM-RUZDIDTESA-N 451.438 2.765 50 10 JFGE CC1(C)C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2172558362 XLERFTFCJNEXMK-CQSZACIVSA-N 468.458 2.963 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2205239583 HYNKGXHUHNCHFG-KBXCAEBGSA-N 466.442 2.717 50 10 JFGE Cc1sc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1C 2255575309 OHNIXAIGJXEIKQ-UHFFFAOYSA-N 494.378 2.635 50 10 JFGE Cc1ccc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2278699003 WRDUFLRHDNTLIR-AREMUKBSSA-N 486.377 2.854 50 10 JFGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 2297471344 JHQXYGIATOPEIN-RTBURBONSA-N 456.524 2.947 50 10 JFGE C[C@@H](Br)C[C@@H]1COCCN1C(=O)c1c(Br)c(Br)nn1C 2364229959 GIXIRBFOGGHHHD-HTQZYQBOSA-N 473.991 2.960 50 10 JFGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOC 14660522 BVVXWVLLHUOJSX-INIZCTEOSA-N 459.568 2.940 50 10 JFGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1-c1ccc([N+](=O)[O-])cc1 27497687 REQRARPIHBCRKM-GZIVZEMBSA-N 488.251 2.878 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600390 CPWCOUCGTFGHGL-LGUFXXKBSA-N 489.488 2.970 50 10 JFGE N#C/C(=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1)C(=O)NCc1ccco1 206741177 DROMTLUPWMDESH-ATVHPVEESA-N 455.426 2.705 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CC1 1942805160 HJWNZPXNVSFFLN-INIZCTEOSA-N 457.390 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 1997914665 NIGVKPZGSZGWNC-OSRSDYAFSA-N 455.374 2.544 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cscn1 2055482563 ZAGKRERAYDWXCZ-CXAGYDPISA-N 490.376 2.523 50 10 JFGE O=S(=O)(c1ccc(CBr)cc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153994696 OFVNLGINHNITOJ-UXHICEINSA-N 451.386 2.855 50 10 JFGE O=C1CN(C(=O)c2cc(Br)cc(Br)c2)CCN1CCBr 2171079083 JAFWBDFZWYGRAY-UHFFFAOYSA-N 468.971 2.891 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 2187749367 XEZIVPKGFPQJED-ROUUACIJSA-N 453.406 2.563 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283991520 RYXCDDHDLKKRSE-MHZLTWQESA-N 498.388 2.814 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2317604573 BWMZWDGHFWQZMZ-RUZDIDTESA-N 472.350 2.642 50 10 JFGE Cn1cc(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)n1 2336527910 VOCWBNUVHNACKE-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccncc2)C(C)C)cc1 27527879 UDYOXLKYKFGGCF-QFIPXVFZSA-N 489.532 2.558 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cnn(CCOC)c1 59913942 YYQOWWNGCSBRGW-PDERCVKFSA-N 468.587 2.550 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 717834357 HFCKNXQURXGGHC-LLVKDONJSA-N 485.322 2.944 50 10 JFGE CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 920455547 HPTTZNDAFABSQP-QNGOZBTKSA-N 451.546 2.811 50 10 JFGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)c1ccccc1 1084075049 QWXCSRFEWZUFMU-FQEVSTJZSA-N 472.545 2.752 50 10 JFGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1465398766 KIBGEPZEQHVAHO-UHFFFAOYSA-N 457.556 2.900 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)cc1 1772745278 VMWHIDGFXPTQIT-UHFFFAOYSA-N 476.489 2.847 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(Br)o1 1860771095 JNXOBNJJJYHEJJ-UHFFFAOYSA-N 473.308 2.942 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2024779814 BKCQYAUXVAXTDI-STECZYCISA-N 455.374 2.544 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162600303 HZBOTCXSUGHGKL-OAHLLOKOSA-N 463.394 2.743 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2256597255 FJQQMQFFMLOGQY-NYHFZMIOSA-N 493.394 2.563 50 10 JFGE COc1ccc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)c(Br)c1OC 2323099477 HSASKRBFKWDUQG-UHFFFAOYSA-N 459.300 2.786 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCl)O1 2364194306 DWSDGCMULPOEJM-INIZCTEOSA-N 456.992 2.891 50 10 JFGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)nnn1-c1nonc1N 3640541 BEHMZNMGWCKVLX-ZMOGYAJESA-N 453.551 2.742 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14652733 ZWBJCHZTJGEROD-UHFFFAOYSA-N 452.261 2.986 50 10 JFGE COc1cc(C=NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1cccs1 254619495 QSOGRPXVEHWOHX-UHFFFAOYSA-N 455.467 2.995 50 10 JFGE O=C(NCC1(CBr)CCOCC1)c1cc(I)ccc1O 700913243 OWQVHAJVRRWIKD-UHFFFAOYSA-N 454.102 2.918 50 10 JFGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 725393430 PUBFLCJAXZQIKG-UHFFFAOYSA-N 466.538 2.920 50 10 JFGE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1 728503504 SBEGUBQIEUIJQJ-UHFFFAOYSA-N 480.340 2.741 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccccc1C(=O)O 1084406897 BKWIJEGRHJSCRD-UHFFFAOYSA-N 482.474 2.639 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c1 1644011270 CLAHETNFTZYFKU-QGZVFWFLSA-N 458.490 2.892 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860772076 QBUVUNOKDWEQIF-BBRMVZONSA-N 468.579 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCCCI 1901043753 LPFFVBVDBXDHEK-UHFFFAOYSA-N 492.379 2.978 50 10 JFGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915087764 AGPLQKMRZWQOCM-NSHDSACASA-N 466.199 2.942 50 10 JFGE CC1(C)CC[C@H](Br)[C@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1927088728 CHYLLOLMBWBUPJ-BBRMVZONSA-N 457.390 2.792 50 10 JFGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022397 JSMUNOWPIONKMW-ORAYPTAESA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2163050045 GKRQHPKIRLVGBK-CWRNSKLLSA-N 466.442 2.716 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179817192 WASCGSBBJAJAMD-VQIMIIECSA-N 453.406 2.756 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573464 DJLGNYCWENDZCF-UHFFFAOYSA-N 493.383 2.821 50 10 JFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1 13623580 MYHCYNUDHINVOC-CQSZACIVSA-N 465.362 2.678 50 10 JFGE COc1ccc(N2C(=N/C=C(/C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254478252 BJBWQQADKZCSHN-KEYBJCOKSA-N 496.614 2.536 50 10 JFGE CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962488 UMFSDLUWEFXZGL-RTBURBONSA-N 465.554 2.604 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2065390507 KSKCSVLFSZTXHZ-KBPBESRZSA-N 469.401 2.744 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106306551 ZWKYKRUTOLDIOV-DZGCQCFKSA-N 454.431 2.764 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2256607173 ZSHBYYXBDCJKBN-JOCHJYFZSA-N 493.756 2.917 50 10 JFGE C[C@H]1[C@H](C)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2304164243 MMQZLRJMQLWIHH-GRDNDAEWSA-N 457.390 2.886 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 2313624750 APAMPAPCVVOIES-UHFFFAOYSA-N 460.943 2.803 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)c(Br)c1 12571050 NCRAFSBKIKNITJ-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 32307866 WNVOUBAWLIELCM-WKHYQZIASA-N 450.520 2.646 50 10 JFGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 33590282 IDYXMOWBBXMMNL-OVCORXIESA-N 492.557 2.622 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)S/C1=N/NC(=O)c1ccccc1O 33780864 MSHDSWOUUATAEI-UNUVPQTFSA-N 483.502 2.668 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 40949561 SXDUYXDFZLKRHE-LICLKQGHSA-N 478.457 2.699 50 10 JFGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 101600955 AZXDDKOGLULWOJ-ZXVVBBHZSA-N 490.516 2.907 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 106107190 GZNWZLMRCROHNG-QPEQYQDCSA-N 470.551 2.791 50 10 JFGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 197370603 XZQPQOSSEMTXOW-JVGYHMDPSA-N 485.617 2.720 50 10 JFGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1 254310385 RZWULVIRJKSPHX-HSZRJFAPSA-N 470.554 2.659 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C(c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 254500240 VYNYLKUZDJEVBT-UHFFFAOYSA-N 484.538 2.541 50 10 JFGE O=C(NCCCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1 726711768 UBJREQBJLCUSAX-UHFFFAOYSA-N 453.724 2.867 50 10 JFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084008990 HJBZTRXIJSWSID-UHFFFAOYSA-N 482.474 2.639 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@H]1CCCO1 1926746662 QXPPKECVPWNHBT-LSDHHAIUSA-N 487.416 2.561 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2044690903 JHURRZQYMZGYCW-IYBDPMFKSA-N 474.421 2.822 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2084690829 RYXCWNDUHZIMNH-VWLOTQADSA-N 472.350 2.546 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC(Cl)CC2)C1 2223824273 GOJOIMISRDUOHE-HXUWFJFHSA-N 487.066 2.646 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C2(CCOCC2)C1 2306800023 SYHMCRFXHQDOHH-AWEZNQCLSA-N 454.349 2.586 50 10 JFGE COC1CC(CBr)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338852608 PYMXSDWWCJSNHR-UHFFFAOYSA-N 487.416 2.705 50 10 JFGE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736363 MQBIJHQIUZJMSO-GUCAUAJOSA-N 486.619 2.651 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39919006 UQIGKKZKCKSYAW-MUUNZHRXSA-N 481.556 2.638 50 10 JFGE N[C@@H](CSS[C@H]1CCN([C@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 103593799 AMPOCARAOGXMMH-NFZYCPOSSA-N 468.572 2.725 50 10 JFGE in-vitro O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 263627198 LUAUFLLLVXEMTO-FXLBVWPXSA-N 491.416 2.835 50 10 JFGE Cc1nc2cc(O)nn2c(C)c1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729509451 OZKVKAIEHAQZEF-UHFFFAOYSA-N 463.469 2.774 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1 1083943396 CCBUBZKKYMFBKU-UHFFFAOYSA-N 479.424 2.840 50 10 JFGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(O)c(I)c1 1084270314 IUKCTWSHGYVFDH-FPYGCLRLSA-N 468.032 2.597 50 10 JFGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1446480266 SCXZNNJXEHMFDN-HXUWFJFHSA-N 458.584 2.743 50 10 JFGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)Cc1ccccc1 1772718976 ZDVROWMMNFLQBH-FQEVSTJZSA-N 494.573 2.952 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cnc2s1 1860769742 GJEWWIKOYAHOHJ-JTQLQIEISA-N 469.350 2.942 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771189 MNJSYDNARPTNQP-PKNBQFBNSA-N 482.562 2.605 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2227656918 ASXQTCLDDIZTDE-IUCAKERBSA-N 478.000 2.989 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248400926 CPERDSHOQDUAMD-KRWDZBQOSA-N 458.323 2.849 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2268610579 STDCRKNGUJZLRI-SANMLTNESA-N 484.361 2.772 50 10 JFGE Cc1nc(N(C)C)sc1C=NNC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 2321697688 CFXFRYZUINKLBV-UHFFFAOYSA-N 451.552 2.977 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCCN(CCBr)C1 2364015988 VLNFIFGRQSVSAW-MRVPVSSYSA-N 473.007 2.534 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 13977625 ULXSQEVGPDDPSC-UHFFFAOYSA-N 467.232 2.668 50 10 JFGE Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccccc3Cl)nnc2N2CCOCC2)c1 17876277 BYKWWTAMKPDKNG-UHFFFAOYSA-N 486.985 2.619 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1 58885489 ZLNAJJOGBXNTAC-BUVRLJJBSA-N 453.520 2.742 50 10 JFGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 216500456 QNZJYZGPPLGILB-MKEBKOIESA-N 492.645 2.837 50 10 JFGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709149381 GINPIRUQBWXCEY-HZPDHXFCSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(S(=O)(=O)CI)C1 1983327858 QVRQVYLAUTZLBJ-QWHCGFSZSA-N 458.362 2.820 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2060624972 DZVSZSHTTUWGKQ-HJPURHCSSA-N 473.338 2.653 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)N2CCC(Cl)CC2)C1 2212654953 RZSDEJUCVNTOKZ-UHFFFAOYSA-N 459.996 2.988 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1Br 2338863981 QWCIBFXDPAHDLX-IDNNKUPISA-N 477.919 2.814 50 10 JFGE CC(C)n1nc(C(=O)NNC(=O)c2cc3c(nc4sccn43)s2)c2ccccc2c1=O 28580933 PZKYRXWIGXWSAM-UHFFFAOYSA-N 452.521 2.976 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)nc12 33350288 PAMLIKQZMNQTAM-AQTBWJFISA-N 470.938 2.831 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813259 DYIQVJQCFAEWFU-NLRVBDNBSA-N 458.946 2.774 50 10 JFGE O=C(N[C@H]1CCCN(CCBr)C1)c1ccc(I)c(O)c1 384793911 XHCUCLUAOPVSEG-NSHDSACASA-N 453.118 2.586 50 10 JFGE C[C@@H](Br)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 719785316 CLYGYOKKAZTBKJ-ZIAGYGMSSA-N 457.390 2.744 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)CCc3ccccc3Br)c(=O)c2c1C 1860771754 GSWARBAPZDSVNT-UHFFFAOYSA-N 463.357 2.618 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106295388 GRNHHWQBLPKQOW-AWEZNQCLSA-N 454.431 2.717 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268636115 ZGZDUVLDSODPED-MGPUTAFESA-N 476.766 2.765 50 10 JFGE O=C(NCCCC(=O)N1CCc2scc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2314907158 HRNAKWSHDKIGIT-UHFFFAOYSA-N 490.390 2.632 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C[C@@H]1CCOC1 2364231279 XCSDKQAHMDDROQ-JGVFFNPUSA-N 473.991 2.865 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(CCl)C[C@@H](C2)C1 2368376794 PCEYMYSJDMGLEQ-QYWGDWMGSA-N 456.967 2.928 50 10 JFGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502243 VMSSZIOLJWZODS-UHFFFAOYSA-N 479.474 2.971 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 14027399 PXUAMSDRPBNQRJ-UHFFFAOYSA-N 485.718 2.884 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nnc1-c1ccc(OC)c(OC)c1 254741063 FFYZDUPTNMOHII-UHFFFAOYSA-N 469.523 2.923 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2)Cc2ccccc2)cc1 1084116770 TZOALSUMBKRZPW-UHFFFAOYSA-N 464.547 2.986 50 10 JFGE COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1084540339 DMQXKBMFXSBKDZ-UHFFFAOYSA-N 496.545 2.987 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1 1643805724 JKIDRYISUMLITA-UHFFFAOYSA-N 452.496 2.901 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(F)(CBr)CC1 2039789500 PITALCVJNVGFAQ-UHFFFAOYSA-N 475.380 2.982 50 10 JFGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cnn(CCBr)c1 2239859426 YXPJDONHLVGKFI-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE COCCNC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296543632 SYCJIBKSXLEKPM-UHFFFAOYSA-N 469.295 2.919 50 10 JFGE COc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 2296879965 NPWDYMIFMREHLR-UHFFFAOYSA-N 471.560 2.843 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309226254 SVLOODURVWYFMY-MGHWNKPDSA-N 469.401 2.792 50 10 JFGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 2314785857 VFMVYUSEEGBLDM-UHFFFAOYSA-N 461.474 2.720 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(F)cc2)cc1 33609503 GJVJJGUVURTRLO-XGICHPGQSA-N 458.515 2.678 50 10 JFGE C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccncc1 33642872 PRJMYJPVIVGYFP-FOKLQQMPSA-N 469.918 2.727 50 10 JFGE COc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Cl)C(=O)N2CCC(C)C 38180410 JHCFOJBBUPMSBW-MEFGMAGPSA-N 456.930 2.992 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253318859 GZACOTKSYLXYNR-QYXALZDPSA-N 459.612 2.676 50 10 JFGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 725380410 UPSTWPMLMBAPFW-LJQANCHMSA-N 488.544 2.718 50 10 JFGE O=C(O)COc1ccc(C=NNC(=O)c2ccc(I)c(O)c2)cc1Cl 1084101535 UEPDDJDMHRKTCW-UHFFFAOYSA-N 474.638 2.878 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 1622759020 XGVNPTWCRCIBDD-YWZLYKJASA-N 454.483 2.627 50 10 JFGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769620 AWRPELBOZDCJMX-OAHLLOKOSA-N 466.563 2.702 50 10 JFGE CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866808872 GGIJWTQFDQJNJN-HXUWFJFHSA-N 488.591 2.915 50 10 JFGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867217445 NLSOGGWPUKJZHV-FQEVSTJZSA-N 462.531 2.757 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 1872960351 CDONZLSZGQRRCA-HZPDHXFCSA-N 475.471 2.835 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)CI)C1 1880147517 GVXFNPFBKORPGW-UHFFFAOYSA-N 482.340 2.762 50 10 JFGE C#CCc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1C 1887524836 KXEIRPGWYJPXSC-UHFFFAOYSA-N 480.373 2.922 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2256622029 BIXUNLAHMVITRG-VOIUYBSRSA-N 473.338 2.653 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2256627717 BTLVWORMKPXWDX-FYSMJZIKSA-N 492.406 2.998 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cc(B(O)O)ccc2Cl)C1 2284014528 ASSISDQLJAWRMQ-DEOSSOPVSA-N 488.777 2.802 50 10 JFGE C[C@H](Sc1nnc(O)nc1O)C(=O)NN=Cc1ccc(OCCCc2ccccc2)cc1 2323157795 POKWJVFAAJGRHT-HNNXBMFYSA-N 453.524 2.925 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N(CCBr)C1CCOCC1 2381881633 MZQVDYVCISPDMP-UHFFFAOYSA-N 473.991 2.961 50 10 JFGE O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)NNC(=O)c1ccccc1O 33326905 OAWLVJFBRIPOQR-OQLLNIDSSA-N 476.308 2.652 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 254836376 JZFVREZQSBNGIK-UHFFFAOYSA-N 490.480 2.571 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 725425896 YPZBJRQFRIJVST-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)CC1 727743123 NAFBSHFYSSTLTC-JCMHNJIXSA-N 483.638 2.925 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)Nc1ccc(F)cc1 1083909575 DZQDVRNPZIAGMS-UHFFFAOYSA-N 462.481 2.652 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1F 1440377472 HJKNMNCMMUMYOY-UHFFFAOYSA-N 452.529 2.594 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1865851710 GUJMXBBOAZLTDZ-ZDUSSCGKSA-N 468.579 2.734 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CBr 2000534332 VNDZNBUZBSMWBD-FZKQIMNGSA-N 461.353 2.590 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179865398 QXMHJRSIANCESU-IBGZPJMESA-N 454.390 2.575 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1I 13619626 HEPYSUGTLPJMHE-INIZCTEOSA-N 496.301 2.932 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14027370 DLENVQFBTHWEKN-UHFFFAOYSA-N 465.300 2.539 50 10 JFGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 40935680 LXZGKAXWPLFCLI-RVDMUPIBSA-N 463.402 2.657 50 10 JFGE Cc1ccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59471822 KPNLTHDKEUCENZ-HPNDGRJYSA-N 452.470 2.772 50 10 JFGE COc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1OCC(N)=O 252474741 LIJFWPSPYUTDIW-UHFFFAOYSA-N 455.474 2.933 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2c(F)c(F)nc(F)c2F)cc1 836815388 GJDOKJOJIFWXMR-ZDUSSCGKSA-N 474.436 2.527 50 10 JFGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 1084216964 OMFUSMKKMQVRPV-UHFFFAOYSA-N 495.985 2.917 50 10 JFGE CCCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720471 PEHJVTXNCMJDOT-UHFFFAOYSA-N 457.328 2.764 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771424 VVPGUZCURJEAFO-UHFFFAOYSA-N 462.531 2.968 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 2046035483 RVCSDKBQFILJEK-SCLBCKFNSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2127908085 VQYFPEJIGYRIAQ-JSGCOSHPSA-N 454.431 2.620 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@@]12CCC[C@@H](CN(S(=O)(=O)CI)C1)C2 2210789283 FBZOIEBANZUZIC-IUODEOHRSA-N 458.362 2.820 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2sc(B(O)O)cc2C1)Cc1ccccc1 2256639708 FLQDGFVLDMSMEG-UHFFFAOYSA-N 458.389 2.530 50 10 JFGE CN(C)CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2280522841 JXUXUSREHUJFLD-UHFFFAOYSA-N 464.426 2.659 50 10 JFGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NCCOCCI)CC2)C1 2306805066 OQCZUTHVEZZEQB-UHFFFAOYSA-N 472.389 2.937 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 2316822008 MFHRLLGIQSEGRF-YWZLYKJASA-N 469.401 2.890 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccccc1F 40658229 QCROEQVUJWYDNP-UHFFFAOYSA-N 455.425 2.747 50 10 JFGE O=C(NN=C[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 1083995675 BINSKPUELGOPMN-CQSZACIVSA-N 485.319 2.975 50 10 JFGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)Cc1ccccc1 1772718972 YZLMRCOJOLNSBT-HAHUYDAESA-N 481.530 2.891 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)cc1 1860770731 UXRPZSQNJUKLLB-UHFFFAOYSA-N 472.523 2.582 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CCC1 2046025952 NCYZUNIUTGXJFP-LIRRHRJNSA-N 475.380 2.741 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(C)c(B(O)O)s1 2301723197 QBBANQHMDUXSBL-JOCHJYFZSA-N 478.379 2.670 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(c3ccccc3OC)CC2)cc1OC 216787728 LZHAFDZFCIAPAG-ZZEZOPTASA-N 450.539 2.601 50 10 JFGE CC(=NNC(=O)Cc1ccccn1)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 729147056 IZAFPKZRCJZXPB-QFIPXVFZSA-N 456.506 2.926 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924280410 MNUDYMPXSIZWKY-VFNWGFHPSA-N 499.427 2.657 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)CCC12CCC2 2006115446 HGITWKLZRTXITA-CQSZACIVSA-N 455.374 2.785 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2238454147 KGNWFSYQERLIMV-SFHVURJKSA-N 463.394 2.622 50 10 JFGE O=C(NCCCC(=O)N1CCc2cccc(B(O)O)c21)OCC1c2ccccc2-c2ccccc21 2257378873 HHJUEJHMCJHNHK-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OC 2313652791 CVXQGIBLTFAPSL-UHFFFAOYSA-N 470.551 2.647 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2323404071 RJAHQTMRWOXVFH-AWEZNQCLSA-N 452.536 2.767 50 10 JFGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1F 2328808874 HMWWIDBREJZYRW-UHFFFAOYSA-N 476.464 2.979 50 10 JFGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843874 WOFYYROGTSYDIE-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE C[C@@H](Cl)C[C@@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215434 TZEYMQFFDQCVBH-IAGOWNOFSA-N 456.992 2.891 50 10 JFGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 38249367 CVOQURMOAZOYGO-UHFFFAOYSA-N 464.265 2.884 50 10 JFGE Cc1c(Br)c2ccccc2n1CC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 59420216 XBRGGHMUJFPGCX-UHFFFAOYSA-N 464.341 2.577 50 10 JFGE CCOC(=O)COc1ccccc1C=NNC(=O)COc1ccc(Br)cc1OC 252622476 NWDGUEUPJFGXND-UHFFFAOYSA-N 465.300 2.929 50 10 JFGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)c1 254750795 RJMTVNOFOCBSQM-UHFFFAOYSA-N 451.504 2.643 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 1084328511 PLINYCLFVDRINX-UHFFFAOYSA-N 453.528 2.708 50 10 JFGE C#CC[C@]1(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1630217678 LZBUDPDOTJHSHB-XMMPIXPASA-N 451.527 2.939 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 2077098015 FWFAKBRKEFGXJL-ZDUSSCGKSA-N 479.343 2.745 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2270094126 DWSGLQQMOWFMII-YOEHRIQHSA-N 455.415 2.592 50 10 JFGE O=S(=O)(N1CCC(CBr)(C(F)F)CC1)N1CC(OCc2ccccc2)C1 2274218405 ZHHGDOLLZGXCGA-UHFFFAOYSA-N 453.349 2.874 50 10 JFGE COc1cc(C(=O)N=C2NC(=C(C#N)C(=O)NCC(C)C)c3ccccc32)cc(OC)c1OC 2296532722 PBKRSQNGDUALNP-UHFFFAOYSA-N 462.506 2.909 50 10 JFGE COc1ccc(C(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1I 10401505 OWBPALUIFCITEC-VMPITWQZSA-N 467.219 2.682 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc1 12502582 OOCUSRVOGPHYHE-UHFFFAOYSA-N 450.520 2.903 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 14039661 VWKAWEXQRCNIRV-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 59462037 JRDPQAZFWXOGTM-OPEKNORGSA-N 499.833 2.772 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H]1CBr 703991285 SLYGTGJTIYSYSR-BBRMVZONSA-N 457.390 2.792 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 1084197612 CLCDQILAKSOCJA-UHFFFAOYSA-N 466.357 2.930 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 1084469395 UOEYZLITBFXVNV-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1865759438 AKRDHNBDCGFGLT-UHFFFAOYSA-N 459.474 2.955 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1959551086 GXOSNDRJICOMGW-AWEZNQCLSA-N 456.005 2.896 50 10 JFGE CCOC(=O)c1ccc(N2C(=O)C(=CNNC(=O)c3cccnc3)c3ccccc3C2=O)cc1 2040442387 UTNIMKYSQLRBIG-UHFFFAOYSA-N 456.458 2.721 50 10 JFGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046022625 LMHMPPYYDRCGGA-CKFHNAJUSA-N 475.380 2.836 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2163052287 BWLNKZJGBGLHTQ-GJZGRUSLSA-N 466.442 2.669 50 10 JFGE CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2172465257 WCRUCSJCZNKSHT-GJZGRUSLSA-N 463.394 2.884 50 10 JFGE O=C(NCCCC(=O)N1CCc2cccc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2269562618 KHIBWAGXNBVKMT-UHFFFAOYSA-N 484.361 2.570 50 10 JFGE CNC(=O)COc1cccc(C(C)=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 2297635195 BHWVZSHZJBFRGK-UHFFFAOYSA-N 486.575 2.828 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2316815299 LYLDPAATASSKEI-QGTPRVQTSA-N 469.401 2.888 50 10 JFGE CCOc1cc(C=NNC(=O)c2cccn(C(C)C)c2=O)ccc1OCC(=O)N(CC)CC 2323628519 VZQNLTCXDBNSLQ-UHFFFAOYSA-N 456.543 2.839 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1C 9696157 NYALRYZMLOKDTP-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 14032466 TVMSSXPXRFSMHO-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40658358 NPYPDGFDMPQPDK-UHFFFAOYSA-N 486.286 2.590 50 10 JFGE C/C(=C\C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1C(F)(F)F 1546249701 MNYILTLRJOTAIW-ZRDIBKRKSA-N 455.296 2.935 50 10 JFGE C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1665700769 GHLCWGYJIGUMJF-IBGZPJMESA-N 451.612 2.663 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770901 BHHWZMUDTZXOEL-FLEJHELKSA-N 481.534 2.913 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H]1CCBr 2046029275 PJSNFXHDGOLXKM-AXHNFQJDSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2106784647 KAZVSERATZNMDN-KKUMJFAQSA-N 453.443 2.762 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2106988520 HSDZSIAOAZVAOH-ZFWWWQNUSA-N 457.312 2.637 50 10 JFGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cnn(CCBr)c2)C1 2179823980 PMGAPHJAIXQEHP-GOSISDBHSA-N 455.422 2.953 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179829301 ZOWSDVRJSHJIQH-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE O=C(NCCCC(=O)N1CCCc2ccc(B(O)O)cc21)OCC1c2ccccc2-c2ccccc21 2269564403 VURVWXZNYKQDBN-UHFFFAOYSA-N 484.361 2.965 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@@H](Br)CCO1 2338852298 MVAKQHKOILOYSK-JKSUJKDBSA-N 487.416 2.705 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229843 SAVORQJSAAXFRL-AWNIVKPZSA-N 455.496 2.682 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 9696130 MVAQZQQGKXBRFO-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12584273 FGNCRYXAGIXTEZ-UHFFFAOYSA-N 478.162 2.909 50 10 JFGE Cc1ccc(NC(=O)C(=O)NCc2ccc(C=NNC(=O)c3c(C)nc4ccccn34)o2)cc1 252620814 MMOHUPAMXARXGL-UHFFFAOYSA-N 458.478 2.563 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 254790684 DLMSJXAKWDHFQA-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4cccs4)c(=O)c23)cc1 1860770777 WZJWJTNIYRAIKY-UHFFFAOYSA-N 460.562 2.505 50 10 JFGE COC(=O)Cc1cc(B(O)O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1 1887520984 JAQNKJKCXHFILY-UHFFFAOYSA-N 459.307 2.776 50 10 JFGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002412715 IVODXIMTKULIQO-YJBOKZPZSA-N 463.369 2.692 50 10 JFGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025963 NEDBMLCXLXEIRW-IYJAJMOOSA-N 475.380 2.836 50 10 JFGE COc1ccc(N2C(=NC=C(C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2296608225 BJBWQQADKZCSHN-FGZHOGPDSA-N 496.614 2.536 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 2313624793 GNSFFZYDZMWOCN-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 11682963 CLOICXGDBYVTBY-NRFANRHFSA-N 456.531 2.866 50 10 JFGE CN1C(=O)/C(=N\NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 15015435 FDVPSCNNXGBXSN-AYYXRDHQSA-N 469.457 2.863 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40658573 DVKNXLJZSFNHEF-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534589 LFDSJZUWJKJWAH-JUMBPBSCSA-N 480.985 2.688 50 10 JFGE CCOC(=O)CN1C(=O)C(=NNC(=O)[C@@]2(C)CC2(Cl)Cl)c2cc(Br)ccc21 254721728 IYKODLOEHVCRJB-MRXNPFEDSA-N 477.142 2.763 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 727727509 FJXSOWPNVKKSHV-SUHXUTHVSA-N 492.624 2.968 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744724 ILUILLPFRYUCBQ-UHFFFAOYSA-N 489.488 2.970 50 10 JFGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 1860773882 IVZJYMLJGZKSSL-NYAPKIOYSA-N 491.367 2.964 50 10 JFGE CCc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960912 HFVAFXVNHRJKRD-NYVOZVTQSA-N 463.582 2.935 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]1(C)CBr 2000540586 FZGLHFCDPPEKGR-ROUUACIJSA-N 461.353 2.590 50 10 JFGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025962 NEDBMLCXLXEIRW-CRFBAAHOSA-N 475.380 2.836 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084888208 HBDFVTHZRIQHPY-CABCVRRESA-N 471.417 2.992 50 10 JFGE CC(C)C[C@@H](NC(=O)C(C#N)=Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2085246052 YAWFHNPSLFFRCX-AKIFATBCSA-N 458.562 2.932 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2133337838 SHSKGWSWTMBAPB-LSDHHAIUSA-N 454.431 2.906 50 10 JFGE CN(Cc1cccc(B(O)O)c1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257381529 NLHZQXRYWIFLPY-UHFFFAOYSA-N 472.350 2.644 50 10 JFGE Cc1c(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2268679367 FAAAGHZSUUFDRD-KRWDZBQOSA-N 476.766 2.767 50 10 JFGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629963 PCMQDWLNFHRRLX-AWEZNQCLSA-N 478.343 2.887 50 10 JFGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Br)cc1 216797498 QMCHEAITADGBAH-NXVVXOECSA-N 475.368 2.802 50 10 JFGE COc1cccc(-c2c(C(=O)NN=Cc3c(OC)ccc4ccccc34)nnn2-c2nonc2N)c1 254487488 MOYLMRLJBPCDLA-UHFFFAOYSA-N 484.476 2.834 50 10 JFGE CC(C)[C@H](CI)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703979872 HBNFYOMSCVYBII-HNNXBMFYSA-N 492.379 2.688 50 10 JFGE COc1cc(C=NNC(=O)CNc2ccc(I)cc2)cc(OC)c1OC 1084200619 GOIFNWRYURRVBL-UHFFFAOYSA-N 469.279 2.879 50 10 JFGE COc1cc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1O 1084270240 COGSXSFWQLFNPR-UHFFFAOYSA-N 469.519 2.755 50 10 JFGE Nn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br 1084634658 YPJGYQKMMKLDFH-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867057146 KWIPTKORAZJPGM-GOSISDBHSA-N 453.549 2.827 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867176746 UKTNTYBEYWHBTB-IBGZPJMESA-N 462.535 2.787 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1872961904 NKJKVFOKCTZFPM-JKSUJKDBSA-N 486.370 2.579 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 1942095477 RTQVWTPONILZDO-WMLDXEAASA-N 457.390 2.936 50 10 JFGE C[C@@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1998354420 AUCGTPHBIBUOJZ-HNNXBMFYSA-N 471.295 2.698 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117556 PDLONFFAYYMWAX-PNPHSEOMSA-N 461.353 2.588 50 10 JFGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023035348 IMVAMICPLUCKPI-PNPHSEOMSA-N 463.369 2.740 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2158391437 DKVWKJHEFZVMCO-LSJOCFKGSA-N 490.011 2.994 50 10 JFGE COC[C@]1(NS(=O)(=O)c2ccc(CBr)cc2)CCN(C(=O)OC(C)(C)C)C1 2162601856 MWWSXTHCQAPCOQ-SFHVURJKSA-N 463.394 2.886 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2163051021 PEGSAVRNKCNWHX-RDTXWAMCSA-N 466.442 2.717 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163323542 DRGNVFAQAJMBKH-GOSISDBHSA-N 466.442 2.814 50 10 JFGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179819472 MCUPCPMZIXLBNX-KRWDZBQOSA-N 466.392 2.791 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179868203 HGZMFPWUQDWHBG-WMZOPIPTSA-N 453.406 2.980 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2269560810 AAPALOTWAMKGMZ-SANMLTNESA-N 486.377 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2290219164 CAVPFZVXVGZESA-HOCLYGCPSA-N 466.442 2.812 50 10 JFGE COc1ccc(NC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 2318454260 MLUOEXUMDOFDOH-UHFFFAOYSA-N 450.495 2.596 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC 10153972 SDIZDFYBNZIGNX-YCABEKBOSA-N 457.552 2.823 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2C)ccc1Br 12503264 HVVSVSHHIKTDEF-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976272 MJDSBFQZLDPNOM-UHFFFAOYSA-N 493.383 2.821 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1Br 14776448 GVOGWXOMQFPWEY-UHFFFAOYSA-N 461.341 2.748 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 15092858 XVOLUUNXKJIZDU-IAGOWNOFSA-N 498.605 2.928 50 10 JFGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OC)c2)c1 35003465 XGXOSBVEAAOXRX-RGEXLXHISA-N 467.522 2.969 50 10 JFGE C=CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 48572284 ATRCSMKQKCSSHD-WSDLNYQXSA-N 463.275 2.736 50 10 JFGE O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NNC(=O)C1CCC1 59882906 ITBWHFQKGMYQQN-UHFFFAOYSA-N 452.496 2.882 50 10 JFGE O=C(/C=C\c1ccc([N+](=O)[O-])s1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 97542407 QVQQXVOJAVTLHN-XFFZJAGNSA-N 478.552 2.695 50 10 JFGE N#C/C(=C/NCCN1C(=O)CSC1=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507649 DHPXDQDRJVJUTD-PYCFMQQDSA-N 489.601 2.613 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)F 717766585 CWMFKFHEPBJYLW-LLVKDONJSA-N 467.332 2.647 50 10 JFGE Cn1cc(C(=O)NNC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c2ccccc21 726157504 WPURENDGLKJUOZ-UHFFFAOYSA-N 478.368 2.954 50 10 JFGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727296987 RAYBAUFXULOIMM-QGZVFWFLSA-N 456.518 2.704 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NS(=O)(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 729899915 FGUSWUUHUHKSGF-JCMHNJIXSA-N 486.557 2.790 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(Br)cc1 1312936025 DWUFUXUURLEMII-MRXNPFEDSA-N 454.284 2.659 50 10 JFGE C#CCN(CC(=O)NNc1cc(C(F)(F)F)nc(-c2cccnc2)n1)C(=O)OC(C)(C)C 1472512933 OVPGVEIUNQAFKH-UHFFFAOYSA-N 450.421 2.871 50 10 JFGE CSCC[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(SC#N)cc1 1866928755 GVUVJUWOFXDYSL-YOEHRIQHSA-N 455.627 2.651 50 10 JFGE Cn1nnc(Br)c1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169195 FRLPXDLQNWXQMF-ZDUSSCGKSA-N 478.210 2.942 50 10 JFGE CC[C@H](Br)CN(CC)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532020 GQTXQTLLDWYHKO-UGSOOPFHSA-N 463.369 2.836 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 2022913614 BZWRGYJEXHNNGH-HUUCEWRRSA-N 479.665 2.769 50 10 JFGE CC(N)=C(C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 2040426404 SMGGVLAJVMRTRJ-UHFFFAOYSA-N 493.891 2.628 50 10 JFGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2243911799 XALDRMFVOVNZJS-HNNXBMFYSA-N 464.352 2.534 50 10 JFGE Cc1cc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2248898125 YFCAMFJFVBFPRW-UHFFFAOYSA-N 478.379 2.670 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310041372 UKDVUMNEMPLHED-DFEHZGFQSA-N 469.401 2.934 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C[C@]2(CBr)CC2(F)F)C1 2379985383 HMKNPBTVYRRPKF-IAGOWNOFSA-N 455.340 2.745 50 10 JFGE CC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@](C)(F)[C@@H]1O)(c1ccccc1)c1ccccc1 605699578 DPQXZCIFOTXLBY-HUBRGWSESA-N 498.627 2.512 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)c3ccc(CBr)cc3)[C@@H]2C1 1260505391 CXVGIELQCYRUOQ-CVEARBPZSA-N 461.378 2.590 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(F)cc3)c(=O)c2c1-c1ccccc1 1860769880 KFTIWWCBJGUMPV-UHFFFAOYSA-N 450.495 2.963 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1 1873777882 VXHNPBYMBSTTBI-REWPJTCUSA-N 497.555 2.671 50 10 JFGE C[C@H]1C[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1950506963 FCHVMOHEMOVPGF-KBPBESRZSA-N 457.390 2.744 50 10 JFGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542492 KKKLPLXBERYFFK-KBXCAEBGSA-N 461.353 2.588 50 10 JFGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCCC1 2106303988 ZXJGNRQXFURNAW-HNNXBMFYSA-N 454.431 2.764 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179956176 LFLXKTURZAMTDV-IRXDYDNUSA-N 467.376 2.712 50 10 JFGE O=C(c1c(F)cccc1I)N1CCN2C[C@@H](Br)C[C@H]2C1 2282792045 MCZULSABXBTSSS-UWVGGRQHSA-N 453.093 2.724 50 10 JFGE CCCn1[nH]c(Br)nc1=NCC(F)(F)C(F)(F)CI 2353716425 ZHUDBKMRECJJEP-UHFFFAOYSA-N 459.023 2.990 50 10 JFGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10295566 OZKNVVOLKUUGQI-ZDUSSCGKSA-N 461.540 2.839 50 10 JFGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630245 UOFMQNCFVUTCQB-KRWDZBQOSA-N 486.594 2.923 50 10 JFGE CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)CC1 15092980 ZHLAEVVDYWKXBE-UHFFFAOYSA-N 454.552 2.674 50 10 JFGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 217175123 RXHINKLRHWPVIT-RWZYYMRUSA-N 478.549 2.835 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(F)cc3)nnn2-c2nonc2N)cc1 254345060 GLVGIMHBWDVDSO-UHFFFAOYSA-N 450.434 2.591 50 10 JFGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c1 254401469 VKGRKJZUKPUKBQ-UHFFFAOYSA-N 461.434 2.950 50 10 JFGE CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NNC(=O)CCOc1ccccc1 726530147 FDGQPAPBHPIHPL-UHFFFAOYSA-N 453.520 2.742 50 10 JFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770757 WEQKOMJTHCUFDD-AWEZNQCLSA-N 490.607 2.533 50 10 JFGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099161 RWIABKAYRHLZDR-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE CCOc1c(I)cc(C=C(C#N)C(N)=O)cc1I 2053514836 XBHCAGNDSVFETG-UHFFFAOYSA-N 468.032 2.687 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2cc(I)ccc2O)CC1 2169349095 NRZCNQBNJLBITB-JTQLQIEISA-N 453.118 2.538 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCCC[C@H]1CBr)C2 2179819237 JWLKDJUQVRSEPK-SLFFLAALSA-N 456.450 2.935 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 2246475621 PZQONGPYBQXYQQ-HUUCEWRRSA-N 479.665 2.769 50 10 JFGE CC[C@@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2251026725 XUUKYNKKGGIUJL-HDMKZQKVSA-N 461.353 2.588 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2256617424 JXLOTZVGYHUTMC-GYCJOSAFSA-N 473.338 2.653 50 10 JFGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256637283 UJCVGYLJJUWUTR-DEOSSOPVSA-N 492.406 2.916 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2269540715 BVFCFHKZUZTRGA-UHFFFAOYSA-N 484.361 2.963 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2269548404 RLJHTDVZLPVABC-QHCPKHFHSA-N 491.328 2.792 50 10 JFGE CC1(C)[C@@H](Br)C(=CBr)c2cccc3c2N1C(=O)C3=NNC(N)=S 2297731507 XWWSFQMTUPZIHF-LBPRGKRZSA-N 458.179 2.862 50 10 JFGE C[C@@H](Br)C[C@H]1COCCN1C(=O)c1c(Br)c(Br)nn1C 2364229961 GIXIRBFOGGHHHD-SFYZADRCSA-N 473.991 2.960 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)[C@@H](CBr)C1CC1 2364343243 XYYSMFVFUCYBKC-VIFPVBQESA-N 494.047 2.880 50 10 JFGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 12502301 NKMXKXGKQYYQKJ-UHFFFAOYSA-N 475.483 2.649 50 10 JFGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c1 40619464 BGBCGMUNZZZMKK-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21 254615285 FDVPSCNNXGBXSN-ZEOXQOHMSA-N 469.457 2.863 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)C1CCC1 703951854 SQSPAJZSAVKLFZ-INIZCTEOSA-N 457.390 2.792 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1OC 725428995 JKVCORBPRYRLMW-UHFFFAOYSA-N 483.546 2.751 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2108246499 XNAYIRFHVSRDGW-AZUAARDMSA-N 487.391 2.886 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2179870455 LZPPMYOJSSCLSW-WMZOPIPTSA-N 453.406 2.980 50 10 JFGE COCC[C@@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2225568079 BIAHDOCHXIPLDY-AWEZNQCLSA-N 451.383 2.790 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(Cl)c(B(O)O)c1 2243905598 QKQNMECWNWCTFV-UHFFFAOYSA-N 464.714 2.887 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2248415723 FUPBHIVMHWRGMY-QHCPKHFHSA-N 478.379 2.607 50 10 JFGE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2248900252 RISLGUNMIAGISQ-MRXNPFEDSA-N 478.379 2.924 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1 13976292 VBZBXTQINABHNN-UHFFFAOYSA-N 493.383 2.577 50 10 JFGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 206488027 ZJFVEIINAFIRIJ-PTNGSMBKSA-N 493.428 2.665 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 252625204 QFEZPATVVGHPIV-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254750922 UEOUJAJNTPIYFV-UHFFFAOYSA-N 464.409 2.833 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cn5ccc(C)cc5n4)c(=O)c23)cc1 1860770340 DQYZQWIKLZKTSO-UHFFFAOYSA-N 472.530 2.851 50 10 JFGE CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962485 UMFSDLUWEFXZGL-MOPGFXCFSA-N 465.554 2.604 50 10 JFGE CC(C)N(CCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542563 KZEAIKJBPMYBAF-GOSISDBHSA-N 463.369 2.836 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2256640125 NCDBIVOSZCGTGS-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1c(Br)cccc1Br 2335773867 YISMIZHKAMDQOJ-UHFFFAOYSA-N 478.000 2.751 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623015 GIPZWKBYCXVWCS-ZFWWWQNUSA-N 450.322 2.957 50 10 JFGE COc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14006351 BWCZJYFIPWZTCG-LLVKDONJSA-N 470.263 2.537 50 10 JFGE CCn1ncc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C 96438268 DPUOOEUXXUKOOJ-WJDWOHSUSA-N 451.512 2.656 50 10 JFGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216951041 WRRIXJAKISZCJA-OWBHPGMISA-N 450.314 2.874 50 10 JFGE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 711757395 QGBZJCAJLIWHGE-FQEVSTJZSA-N 453.402 2.839 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCC(=O)OC)c(OCC)c2)cc1 725427519 YNQXBGBMPZAJPP-FQEVSTJZSA-N 458.511 3.000 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 1622759018 XGVNPTWCRCIBDD-MGPUTAFESA-N 454.483 2.627 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCS[C@H](CCBr)C1 2029212940 OPYAZBXDJABIEF-OAHLLOKOSA-N 489.457 2.985 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045141366 GDVLKVBJJRPXGU-RVKKMQEKSA-N 469.401 2.888 50 10 JFGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048064834 XLBYDRKXPYZZAY-LPMFXHHGSA-N 475.380 2.836 50 10 JFGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc(F)c(B(O)O)cc1Cl 2256017988 JTYGZYJOJKXSIZ-UHFFFAOYSA-N 454.738 2.981 50 10 JFGE Cc1csc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c1B(O)O 2256595366 LCJUITILIHKRJC-DEOSSOPVSA-N 492.406 2.916 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2325888221 PDFCEGRHICAZSL-UHFFFAOYSA-N 452.536 2.596 50 10 JFGE CCCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770928 CEEFMKJBUIWLOD-FMIVXFBMSA-N 466.563 2.986 50 10 JFGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096880 DYQKMULHNBZBMC-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050618240 JVHRPMUYPOAQAD-BFUOFWGJSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2106305229 MSPUQNFZRUBHLJ-CQSZACIVSA-N 452.415 2.612 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2182476770 NREJCKDDPHMCSF-DZKIICNBSA-N 466.442 2.716 50 10 JFGE NNC(=O)c1nc(COc2cc(Br)cc(I)c2)cs1 2338897938 YKGUXVHTWQMDCD-UHFFFAOYSA-N 454.087 2.693 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 10334200 PSSZNXBGCIROES-UHFFFAOYSA-N 494.529 2.931 50 10 JFGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10471865 UOORUOWOOXLZCW-UHFFFAOYSA-N 466.357 2.951 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1OC 13977353 UVDQVPGXZWCCIV-CSKARUKUSA-N 484.578 2.775 50 10 JFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14030151 MYVKNTKVGVUWTK-UHFFFAOYSA-N 461.540 2.841 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)cc2C1=O 14938445 TWFJJWJMKIWLML-CQSZACIVSA-N 455.898 2.967 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 102855740 HYULWJGXYUFJMN-LVSKKATPSA-N 462.531 2.758 50 10 JFGE COc1cccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 254790119 FFAYODASMDSXIK-UHFFFAOYSA-N 478.538 2.996 50 10 JFGE CC(=NNC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1cccc2ccccc12 254824489 GEIAYWPSGWQLJB-UHFFFAOYSA-N 459.514 2.526 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)cc1C 727495217 LHGJBWIGKKGKPQ-UHFFFAOYSA-N 464.613 2.729 50 10 JFGE CC(=O)OC[C@H]1O[C@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(=O)CCl 1082544996 LBKJLTBBOHNCHZ-JVNHZCFISA-N 457.892 2.828 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1540382734 JVTWKUUXMDCEBZ-DEOSSOPVSA-N 453.543 2.539 50 10 JFGE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962190 QXXPSURIOCELPN-OALUTQOASA-N 495.580 2.614 50 10 JFGE CC[C@@H](Br)CCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531952 GBSFECHWIMPYGS-FZKQIMNGSA-N 463.369 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CC1 2000533742 SCZOWUFXDJDJSW-SFHVURJKSA-N 461.353 2.590 50 10 JFGE CC(C)C[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540204 DJLGVHQDTBTSBK-FZKQIMNGSA-N 463.369 2.740 50 10 JFGE CC1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046021583 CNNJJZNJYLSGGJ-LJQANCHMSA-N 475.380 2.838 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2162203698 GMOFEOSGTYCACI-OALUTQOASA-N 456.450 2.935 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CO1 2162600835 JVCUVVDFMNQZAD-GJZGRUSLSA-N 463.394 2.790 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)CC12CCCC2 2217438168 MQWHHBKKXNJJJM-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268677856 DHARHUKVDGEPSC-SANMLTNESA-N 484.361 2.772 50 10 JFGE C=C[C@]1(CBr)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364189497 AXHVPLRCCUTHFF-NRFANRHFSA-N 499.427 2.825 50 10 JFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 13623358 KGNCJFFEEFYTHX-ZDUSSCGKSA-N 465.362 2.678 50 10 JFGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@H](Br)C1 1883532041 AYFUPSUXZQGTJZ-HAQNSBGRSA-N 450.374 2.694 50 10 JFGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1914342533 YFLCBCNFEWZZPU-HNNXBMFYSA-N 465.369 2.898 50 10 JFGE CC1(C)C[C@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046037415 YSCIPTLPVGUWJO-DJJJIMSYSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@H](F)CBr)CC1 2108230090 WUTRIVGMGMXNRO-VQIMIIECSA-N 493.370 2.786 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1c(Br)cccc1Br 2121330753 SPVCRWUGMRZARQ-RKDXNWHRSA-N 475.984 2.502 50 10 JFGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 2294347200 YNRKTWUARFHJLX-QGZVFWFLSA-N 470.016 2.982 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 9821813 CKJRIUYOSORVFH-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14037992 VLHDQHDIUBFADO-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1Br 14661538 RCGREVZQUWQXMW-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1Br 14662090 KOKPYQQQZYXBKZ-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 40890077 JVXASAAQEDPXPE-SFQUDFHCSA-N 461.474 2.718 50 10 JFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 102857805 ZOVBKHBLULLFMV-SILNSSARSA-N 472.505 2.803 50 10 JFGE Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)c1 102976645 CHCJHGSTMVSSKW-JSIHEXFSSA-N 461.591 2.700 50 10 JFGE CCCCOc1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891710 BSARQGLLMWYOTI-NLKUQUHMSA-N 453.524 2.621 50 10 JFGE CN(C)CCOc1ccc(CNC(=O)NNC(=O)c2cc(F)ccc2Br)cc1 728742306 AQQGIIIKPDEXKT-UHFFFAOYSA-N 453.312 2.673 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1 1084360389 YTWHVIWPMHLXTE-UHFFFAOYSA-N 452.511 2.612 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 1455417492 QCYUMDVJLDMBRG-QGZVFWFLSA-N 455.927 2.544 50 10 JFGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNc2cc(Cl)nc3ncccc23)CC1 1677891224 OGMRXKURDJJUCN-UHFFFAOYSA-N 453.934 2.778 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccco2)CCC3)cc1 1772746742 GDTGTXAMAFKJQU-UHFFFAOYSA-N 450.451 2.735 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c(OC)c1 1860771123 KOUWHFZINJNVHE-UHFFFAOYSA-N 478.530 2.532 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771212 NBWWTCJGGPGLEN-RYUDHWBXSA-N 485.522 2.522 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860772221 VJJILOOCECUFGL-QWHCGFSZSA-N 470.551 2.622 50 10 JFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccccc1I 1865757887 ZHSKRWAEEPKIHZ-UHFFFAOYSA-N 465.276 2.588 50 10 JFGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1946247681 MACSPGCTYUEFIY-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2012592676 NHBVKPWCRMUCNL-QKDCVEJESA-N 455.374 2.640 50 10 JFGE CN1C[C@H](Br)[C@@H](NC(=O)c2cc(I)ccc2Br)C1 2029861832 DIMQYBPMIDYCMU-QWRGUYRKSA-N 487.961 2.861 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106777694 VYSWEUSGMYCGHS-ZIAGYGMSSA-N 454.431 2.668 50 10 JFGE O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NNC(=O)c1ccncc1 2296881470 JFSQKRNXZZILBA-UHFFFAOYSA-N 491.392 2.897 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 10455809 COEXOLIYFWHTPW-UHFFFAOYSA-N 482.562 2.941 50 10 JFGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 38172296 LEQJQBVXGHUQGV-ZBXXMNEPSA-N 485.496 2.680 50 10 JFGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(-c2ccncc2)n1N 58990348 ATJLJENRWAMCNI-FSJBWODESA-N 490.387 2.848 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 229005668 PCQLHOUVUJEOFE-ZCOXVRHCSA-N 481.603 2.874 50 10 JFGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)c(Br)cc1F 728501967 YJBYDAJEGBLLCC-UHFFFAOYSA-N 465.684 2.652 50 10 JFGE C=C[C@@H](C)ONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1557339038 HQARWDYXDJLGMJ-NWFCWYBLSA-N 458.316 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032218198 ADZQWLGXEIHETC-ZTFGCOKTSA-N 469.401 2.746 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1c(Br)cccc1Br 2033092971 FDZYTXYVUNTXTE-QMMMGPOBSA-N 490.917 2.918 50 10 JFGE CNC(=O)COc1cccc(/C(C)=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 2059028373 BHWVZSHZJBFRGK-IWIPYMOSSA-N 486.575 2.828 50 10 JFGE O=C1CN(C(=O)c2cc(Br)c(Br)s2)CCN1CCBr 2114629728 JCVYBFAEJLNMBA-UHFFFAOYSA-N 475.000 2.952 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)Cc1ccccc1 2164503255 UAHVVBVERMGJJG-KKSFZXQISA-N 497.386 2.936 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1ccc(CC(=O)O)s1 2181751441 WFWVMXKYXFKCLE-UHFFFAOYSA-N 456.633 2.560 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2268628006 BFFYXSFYSOOWOL-AREMUKBSSA-N 486.377 2.888 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2317613325 MSGJSCUXAFFWLT-FQEVSTJZSA-N 480.276 2.900 50 10 JFGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)s2)cs1 728960468 ZKDDTNXPJRLOCL-UHFFFAOYSA-N 457.585 2.717 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3c2OCCO3)c2ccccc2)cc1 1083954587 IALWKMLLHAWZKX-UHFFFAOYSA-N 481.530 2.812 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccccc2)cc1 1084205545 XSQDWWYSUGNURA-UHFFFAOYSA-N 467.503 2.739 50 10 JFGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)cc1 1651008535 WLBNNWZDZVFAAN-UHFFFAOYSA-N 455.290 2.579 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C(F)(F)F)cc2)cc1 1858672290 SRWHPVJFYVEWSR-UHFFFAOYSA-N 458.443 2.949 50 10 JFGE CSCC[C@@H](Br)CCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942751596 VOQLVPIOICLZPU-AWEZNQCLSA-N 477.446 2.889 50 10 JFGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)N1CCC(Br)CC1 1959357336 DZRXPRYJKVHMJM-UHFFFAOYSA-N 479.416 2.973 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CCO 2163053558 OMIOHJSWGYXBNG-OAHLLOKOSA-N 463.394 2.574 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(O)c1 2178907586 RCJBXZUOELNVCH-MNOVXSKESA-N 453.118 2.536 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@@H]1CCBr 2338669750 IMZUAZDHUVIAAJ-ZETCQYMHSA-N 459.964 2.571 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Cl)[C@@H]1C(F)(F)F 2370238583 OYWWVLAZUCVKHC-VBQJREDUSA-N 470.872 2.975 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 9696125 WHBXJYKCWDWODB-UHFFFAOYSA-N 491.367 2.756 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOCC)cc1 9826224 OXGJKYSMGPAYPK-UHFFFAOYSA-N 472.567 2.790 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1 10506147 NAOCIZMTDWOSNU-UHFFFAOYSA-N 470.334 2.885 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1 17518442 PQLYFMCLUWJAIY-UHFFFAOYSA-N 458.312 2.804 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1F 40658228 NCLGESSMNJNUCK-UHFFFAOYSA-N 455.425 2.747 50 10 JFGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658719 LFKHTVSYXSBBLF-UHFFFAOYSA-N 473.449 2.817 50 10 JFGE CN1C(=C(C#N)C(=O)CCC(=O)NCc2ccc(Cn3cncn3)cc2)N(C)c2ccccc21 108786015 NCIPCTZKVKXRDO-UHFFFAOYSA-N 455.522 2.613 50 10 JFGE COCCOCCOCCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 301907443 GEXFVVFYZIBYAJ-UHFFFAOYSA-N 487.375 2.887 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 722198077 CQGARZZJNQBRIB-XOKHGSTOSA-N 455.374 2.640 50 10 JFGE C[C@@H](C(=O)NNC(=O)Cc1c(F)cccc1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770895 BGUJFHIBWORGEU-NEPJUHHUSA-N 460.506 2.812 50 10 JFGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772381 XDVAMLDTKAMYKP-BMGYJQCNSA-N 482.562 2.776 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2106785996 RWWSIKBPWCARBU-HUUCEWRRSA-N 451.427 2.660 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2cc(I)ccc2F)CC1 2170220781 KEIWXRZSXPBACX-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE COc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3)C2=O)cc1OC 2297476552 SAWQPJMAZCXITG-UHFFFAOYSA-N 471.560 2.756 50 10 JFGE COCCN(C=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 2325384781 LRHMEPIDPKDKRV-AWEZNQCLSA-N 465.881 2.840 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@H](CCBr)C1 2338846336 YFWXPQZIBDJHOE-MRXNPFEDSA-N 487.416 2.659 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CBr)C[C@H]1CCOC1 2364231280 XCSDKQAHMDDROQ-SFYZADRCSA-N 473.991 2.865 50 10 JFGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207209240 WJRKGUUCTZSPBS-MYTRHGCZSA-N 473.485 2.982 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 703947734 PUABDBIQEMQIAN-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE C#C[C@@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1156824670 LNZGLGRBOSXOML-BXBOZWQASA-N 454.328 2.623 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771150 LGCARFBAEAYVPB-UHFFFAOYSA-N 464.503 2.603 50 10 JFGE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 1887520746 BKDBGPCCOKSXFD-UHFFFAOYSA-N 485.393 2.749 50 10 JFGE CC(C)[S@](=O)(=NS(=O)(=O)CI)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1986106739 MSKCUUNOHGZEIC-BSNNYGBQSA-N 480.390 2.595 50 10 JFGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533508 QYQJPGBZGQVNKF-VBHSOAQHSA-N 461.353 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H]1CBr 2046029351 PWZGBLOEIXOXDL-NJSLBKSFSA-N 475.380 2.741 50 10 JFGE CCN1CCC[C@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2056495166 BAIXQLMHPKABNL-PSASIEDQSA-N 465.176 2.998 50 10 JFGE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106778733 GRIRHZPKQUOZMF-KBPBESRZSA-N 454.431 2.716 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2257372615 HWPWNQLMVYCSQY-QFIPXVFZSA-N 473.338 2.653 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696144 JPEGEZJWDKUMGI-UHFFFAOYSA-N 464.341 2.972 50 10 JFGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2)cc1 12502166 DJVZDFAZJQSAQS-UHFFFAOYSA-N 462.531 2.962 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccs2)ccc1Br 13979421 SUCQRPGDIPIXNH-FNORWQNLSA-N 454.371 2.933 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1Br 14002219 KTCSYJPGKKGJRZ-UHFFFAOYSA-N 456.749 2.989 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1ccncc1 58987080 AFHZUIGAOOAXFE-WSDLNYQXSA-N 460.361 2.839 50 10 JFGE CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc1 59813710 MEHWGHSKWZDBLN-OEAKJJBVSA-N 466.571 2.650 50 10 JFGE CCS(=O)(=O)N(CC(=O)NN=Cc1ccc(Br)cc1)c1ccc(OC)cc1 725440678 NRRQIFGXFCUANE-UHFFFAOYSA-N 454.346 2.764 50 10 JFGE CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NNC(=O)c2cccc3cccnc23)=NN1c1ccccc1 728965058 PSZMNDYSHMJORK-FQEVSTJZSA-N 459.506 2.972 50 10 JFGE CCOc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc(Br)c1OC 915907225 FUEQLKWNXRHKPV-UHFFFAOYSA-N 459.304 2.660 50 10 JFGE C#CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@H]1CCOc2ccc(Br)cc21 1615535565 HYMIXUWPJFXETK-IBGZPJMESA-N 456.340 2.978 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1C 1860770455 IUPZIZAGAFQUNF-AWEZNQCLSA-N 460.581 2.524 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772077 QBUVUNOKDWEQIF-CJNGLKHVSA-N 468.579 2.987 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1 1873777879 VXHNPBYMBSTTBI-NFBKMPQASA-N 497.555 2.671 50 10 JFGE O=S(=O)(NCCCCCCI)N1CC(OCc2ccccc2)C1 1977416391 CWWGMKYOSCWKNW-UHFFFAOYSA-N 452.358 2.717 50 10 JFGE O=S(=O)(NCCOCCCI)c1ccc(Br)s1 1997684389 VIAACFLNWNNVQS-UHFFFAOYSA-N 454.149 2.631 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2216284777 FNHVQFQRTPKIKZ-RRQGHBQHSA-N 455.374 2.783 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]1(CBr)CCCO1 2338862172 XDHMMLFVYPLDSY-NSHDSACASA-N 459.964 2.619 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2361329020 OPVUUSZDSLUZNF-HOCLYGCPSA-N 466.442 2.812 50 10 JFGE CCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 9041989 PXFIZLAHVMYPSP-HZZGJGATSA-N 469.567 2.926 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571039 AWEAYFDKUULSEZ-UHFFFAOYSA-N 493.383 2.821 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC1(CBr)CC1 704003000 LZGFTJNOVOGIRP-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccccc4Br)c(=O)c23)C1 1860769686 DBMVYZCTHCZAPM-LLVKDONJSA-N 475.368 2.807 50 10 JFGE Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962297 SIDAAQPMKXOWFX-IRXDYDNUSA-N 455.946 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)[C@@H]1CC=CCC1 2019480544 MQVHMWMUJAJXOV-PBHICJAKSA-N 455.374 2.712 50 10 JFGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)N1CCC(Br)CC1 2163054550 YFHODJHWHFRMAZ-UHFFFAOYSA-N 482.363 2.870 50 10 JFGE Cn1cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)c(CCl)n1 2179998069 FTSRBOMBBCHTRB-SOLBZPMBSA-N 452.964 2.627 50 10 JFGE O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1497866 SHRHPHAMOULXIL-ZVBGSRNCSA-N 459.260 2.678 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc(Br)c1O 1966577 JBTWPNYSDYAGQN-AERZKKPOSA-N 465.329 2.702 50 10 JFGE CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 38180355 YIJAFLXIMJWNSW-QOMWVZHYSA-N 487.354 2.855 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 41012167 GJUURYVAOTUDAP-RQZCQDPDSA-N 496.432 2.805 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1cccnc1 58990426 GNQVIHLXQUSALI-VULFUBBASA-N 459.535 2.875 50 10 JFGE CC(=O)OC[C@H](OC(C)=O)C1=C[C@H](C=NN(C(C)=O)c2ccccc2)NN1c1ccccc1 256015761 ZJRYJRBRPBMWNW-YKSBVNFPSA-N 450.495 2.797 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccccc3C#N)c3ccccc32)cc1 1084337173 RTAWTZXEULQQSL-UHFFFAOYSA-N 467.485 2.751 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)c(C)c2)c1 1137684858 DVAOAENNPFFING-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1 1151474261 PEKVFGDZBOHOQN-UHFFFAOYSA-N 459.446 2.642 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCC(=O)c1cccs1)n1cnc2sc3c(c2c1=O)CCCC3 1860772252 WPCYPORCSJNPJI-LBPRGKRZSA-N 458.565 2.770 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 1906293029 OEYXVWXRQSXYBI-ZQIUZPCESA-N 455.374 2.640 50 10 JFGE CC1(C)C[C@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046030069 VUUWTWPQKKLIEJ-YJYMSZOUSA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2048006510 VPBQBAWWMVOHHZ-VDNDLQMASA-N 469.401 2.648 50 10 JFGE ClCc1nnc2n1CCN(c1ncc(I)cc1Br)C2 2133371084 GXTSHCQOCKSZNY-UHFFFAOYSA-N 454.497 2.799 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Cl)C2(CCOCC2)C1 2174369737 XQALKVGIRUOSOT-SFHVURJKSA-N 454.976 2.503 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2248396125 VQHPKXGESXQWBF-QHCPKHFHSA-N 478.379 2.607 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2268610502 RZLFBSDCNDAGGN-SANMLTNESA-N 484.361 2.819 50 10 JFGE O=C(NC[C@@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1O 2279407966 KPDJSLYXHBTEJQ-ONGXEEELSA-N 454.102 2.917 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2320949509 DHYIRLMXZPKNGL-UONOGXRCSA-N 483.306 2.793 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 10296140 GWDSRTLYOKGKAY-HNNXBMFYSA-N 473.551 2.755 50 10 JFGE O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14310579 GJKPUAGXWSCPDW-NRFANRHFSA-N 467.572 2.643 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 207177743 GJUURYVAOTUDAP-MFOYZWKCSA-N 496.432 2.805 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CBr)CC1 703989429 IEKNELQFJQOCAT-UHFFFAOYSA-N 457.390 2.746 50 10 JFGE C=C(CBr)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618540504 VJBAVLWHYVTOLK-DLBZAZTESA-N 457.413 2.805 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)c1 1644011724 NRZLGNBMJXHPBB-UHFFFAOYSA-N 452.565 2.676 50 10 JFGE O=C(Cc1ccc(Br)s1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771392 UVSNQIAUWWASPY-UHFFFAOYSA-N 481.397 2.551 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1865851500 DBPDJRSSHFPGJO-SNVBAGLBSA-N 475.914 2.606 50 10 JFGE CC(C)(C)OC(=O)NCC[S@](=O)(=NS(=O)(=O)CI)c1ccccc1 2007718529 GPUHFCJUBSRZAS-HSZRJFAPSA-N 488.369 2.761 50 10 JFGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117553 PDLONFFAYYMWAX-DWQUBVKVSA-N 461.353 2.588 50 10 JFGE CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106774431 PVOZKZXDNRKJCK-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179807996 CAIVGZWGBHNCOE-IAGOWNOFSA-N 453.406 2.756 50 10 JFGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795824 UYHBVNJPEOHZBV-UHFFFAOYSA-N 466.490 2.844 50 10 JFGE CCOc1c(OC)cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] 2323640986 KVSLHBXGUNWGBF-UHFFFAOYSA-N 450.451 2.976 50 10 JFGE COCCN(C[C@@H](C)Br)C(=O)c1c(Br)c(Br)nn1C 2338671016 UKKCBKKEDCVIJK-SSDOTTSWSA-N 461.980 2.817 50 10 JFGE C[C@@H](Br)[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCO1 2338863408 JVHJVXUAUAQJGP-RNFRBKRXSA-N 459.964 2.570 50 10 JFGE CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCl)OCCO3 13740292 WJHZRWBKASGXFE-QHCPKHFHSA-N 454.866 2.590 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1Br 13976900 QUSGHWXCQSGBCD-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE CCOc1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 20923359 RSOFXYMHLPGRJA-SSDVNMTOSA-N 473.946 2.856 50 10 JFGE O=C(NNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 40563813 IFLRVFLSAVVYOX-UHFFFAOYSA-N 464.865 2.524 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)COc3ccccc3)nnn2-c2nonc2N)cc1 254595752 NEWPZTZNGAJILM-UHFFFAOYSA-N 476.497 2.873 50 10 JFGE COc1cc(C=NNC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 254842317 CWICCJZXUZWEHG-UHFFFAOYSA-N 454.527 2.552 50 10 JFGE O=C(NC[C@@]1(CBr)CCCOC1)c1cc(I)ccc1O 700910226 CFUPRKQCEBIUPL-AWEZNQCLSA-N 454.102 2.918 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 809851543 KOHPLEZWCURRBG-UHFFFAOYSA-N 472.523 2.999 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccccc1Cl 1860770533 MGRHKZFYABZGJQ-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800928 QTDPYNQOZNIHKL-CQSZACIVSA-N 477.564 2.584 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)C1 1873777694 PCONISSJJGVWAM-OAQYLSRUSA-N 497.555 2.916 50 10 JFGE CC(C)CN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1948633846 FMNJFTDBQGXEIO-UHFFFAOYSA-N 459.406 2.992 50 10 JFGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)CI)CCC(F)(F)CC1 1993562458 WGCJQFWXTYXOOB-UHFFFAOYSA-N 468.304 2.771 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](CBr)C1 2046023345 RJYRXFMVAILFPW-AUUYWEPGSA-N 475.380 2.838 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H](CBr)OCC12CC2 2183980072 XKLQISNEDHGUAZ-GFCCVEGCSA-N 450.114 2.989 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296727492 HYULWJGXYUFJMN-FQEVSTJZSA-N 462.531 2.758 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1B(O)O 2301721369 YZPUYYHSILIGLK-HSZRJFAPSA-N 458.323 2.931 50 10 JFGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCCN1CCCC1=O 2318463244 ZIVQWKXBJBIFHH-UHFFFAOYSA-N 452.296 2.548 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(N)c(Cl)c3)CC2)cc1 2325405807 XMQBGQOMFZNCLJ-UHFFFAOYSA-N 459.959 2.583 50 10 JFGE Cn1ncc(C(=O)N2CC[C@@H](Br)C[C@H]2C(F)(F)F)c1I 2361453501 XOANZPTXBRTBHH-SVRRBLITSA-N 466.039 2.955 50 10 JFGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40645633 ZCEYHAQUICHWCN-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658066 ZSTPFDOMPOFHPT-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE COC(=O)COc1ccc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 58889610 MSURMTAPVFLWOA-SLCIXIPPSA-N 496.301 2.807 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 217234911 PXWDNNPUUPXTSZ-PEZBUJJGSA-N 489.941 2.909 50 10 JFGE C[C@@H](CBr)[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703947797 RQQBXGNVONEJIN-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE CC(C)[C@@H](CI)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703979873 HBNFYOMSCVYBII-OAHLLOKOSA-N 492.379 2.688 50 10 JFGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 1084472753 FBTYESKBBBZETM-UHFFFAOYSA-N 482.587 2.921 50 10 JFGE C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C 1563453998 WLBOFBJVYWNKKQ-FQEVSTJZSA-N 454.575 2.620 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCc3ccccc3Br)cnc2s1 1860770314 CHFGZYWCXGAWHF-UHFFFAOYSA-N 463.357 2.563 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1[N+](=O)[O-] 1860770507 LCDXETGGVNJZQI-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CCC1 2046025951 NCYZUNIUTGXJFP-KUHUBIRLSA-N 475.380 2.741 50 10 JFGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108228269 OIQJMYALBVKQAC-DYIUMCPCSA-N 487.391 2.977 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2108230089 WUTRIVGMGMXNRO-QFBILLFUSA-N 493.370 2.786 50 10 JFGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297461559 GSMLPVYWOAGBCO-UHFFFAOYSA-N 469.504 2.872 50 10 JFGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOC)cc1 14657099 SWQPASOAZNALPL-MRXNPFEDSA-N 459.568 2.940 50 10 JFGE O=C(Nc1nnc(CCBr)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 36238410 KKJKIISLSBQNDS-UHFFFAOYSA-N 459.391 2.902 50 10 JFGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3)c2=O)cc([N+](=O)[O-])c1OC 169919607 DQHGMDDJWKMLBG-OYKKKHCWSA-N 450.451 2.976 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(F)ccc2F)c1CSc1ccccc1 254822598 CXJNLHIJNVHDCI-UHFFFAOYSA-N 456.438 2.567 50 10 JFGE CCOc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O 1084570584 USRCPOSAGCIVIR-UHFFFAOYSA-N 465.959 2.995 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3ccc(OC(C)C)c(OC)c3)n[nH]2)c1C 1135413410 GCOVWVYBCRHKEU-UHFFFAOYSA-N 452.515 2.947 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2cccc(F)c2Br)c1 1644036541 PRKMIJMDOISCCI-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)s4)c(=O)c23)C1 1860769872 JZNZUXQEIDOBFV-SNVBAGLBSA-N 495.424 2.797 50 10 JFGE CSCC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(SC#N)cc1 1866928752 GVUVJUWOFXDYSL-PBHICJAKSA-N 455.627 2.651 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@H](Br)C1 1942094751 IWSNZZUMELHMGL-CABCVRRESA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1Br 1942095157 NTHOFDAYATUDAB-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CN1C[C@H](Br)[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 2029860906 NAGPWTDRKDFSCK-ONGXEEELSA-N 487.961 2.861 50 10 JFGE CSCC[C@@H](Cl)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024799 DCZZDQSSQNIQLV-SCLBCKFNSA-N 450.985 2.681 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2142044235 LLTJJZAKVSPHFJ-OAHLLOKOSA-N 487.416 2.515 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2268645638 GQHXERHICTUADN-CMJOXMDJSA-N 491.328 2.792 50 10 JFGE COc1cc(Br)c(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 2297551834 MOEUOPMWFGSNFW-UHFFFAOYSA-N 466.313 2.659 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2CBr 2316822885 VKZHBNUVNVWVRA-JLSDUUJJSA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2OCC[C@@H]21 2364212708 ZVNUJJVWYIPFBV-ZYSHUDEJSA-N 454.976 2.643 50 10 JFGE O=C(CCC(=O)NNC(=O)CCCC(=O)OCCCc1ccccc1)NCc1ccccc1 14016848 BGTQOQPRHYDWMG-UHFFFAOYSA-N 453.539 2.577 50 10 JFGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] 40611420 MWEKTBMVPPLFBQ-UHFFFAOYSA-N 483.916 2.887 50 10 JFGE COc1cc(OC)c(OC)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 96095853 JMVMGFUJSSMROJ-BUVRLJJBSA-N 475.567 2.572 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597436 JNLKHEZOYYTELO-JJIBRWJFSA-N 479.449 2.943 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 254292796 BVJPEUADSQAGGL-UHFFFAOYSA-N 497.519 2.795 50 10 JFGE BrCc1cnc(-n2cnc(I)c2I)nc1 307348069 NQMBSCAGYADYBS-UHFFFAOYSA-N 490.868 2.766 50 10 JFGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1446480259 SCXZNNJXEHMFDN-FQEVSTJZSA-N 458.584 2.743 50 10 JFGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 1668985636 BLQCJTLFUSSPSZ-UHFFFAOYSA-N 453.430 2.712 50 10 JFGE CCC[C@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539648 BPBIEILSRVECEW-SCLBCKFNSA-N 463.369 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@](F)(CBr)C1 2039797830 ZVCFMHJPOJPDSB-IBGZPJMESA-N 475.380 2.982 50 10 JFGE C[C@@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2046801288 GNEPKBNQZGKIHB-WOJBJXKFSA-N 469.401 2.890 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C(F)(F)CC1 2108233699 ISCHHHLSKQJTCX-YOEHRIQHSA-N 452.882 2.679 50 10 JFGE C[C@]1(CBr)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842652 LIYZIYPNKJIDPW-FQEVSTJZSA-N 487.416 2.659 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1C[C@@H](Br)CCO1 2338863661 MPUGAZONYPMXLE-BQBZGAKWSA-N 459.964 2.617 50 10 JFGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 14644925 UIBNEPXTPQYDAT-UHFFFAOYSA-N 460.512 2.734 50 10 JFGE O=C(COc1ccc(O)cc1)N/N=C/c1sc(=O)n(Cc2cccc(C(=O)O)c2)c1Cl 33959586 DPRGPEQTQMMENY-LSFURLLWSA-N 461.883 2.544 50 10 JFGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 254855648 UIRZXPWIPJLTEM-UHFFFAOYSA-N 461.442 2.546 50 10 JFGE Cc1nc(CCl)cc(-n2cnc(I)c2I)n1 723350552 CLBUOMAGIJLPGL-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1 726980307 QIDOIBRLRCUONQ-UHFFFAOYSA-N 462.510 2.703 50 10 JFGE CCC[C@@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)C(=O)N1CCc2sccc2C1 727228947 KRCOHWSACYTMRX-GOSISDBHSA-N 453.568 2.937 50 10 JFGE O=C(NCCc1c[nH]c2cc(F)ccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 747985728 GRJMZQQVIYAINS-UHFFFAOYSA-N 487.557 2.668 50 10 JFGE O=C(NCCOCCCI)c1sccc1I 1976717024 DKRBWLXPEFNRIG-UHFFFAOYSA-N 465.094 2.924 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)[C@H]2CS(=O)(=O)C[C@@H]21 2112863571 JYSWVVOEYIOWEB-JYJNAYRXSA-N 451.427 2.516 50 10 JFGE O=S(=O)(N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)N1CCC[C@H](CCBr)C1 2179946749 JSORVYBJPMWIGV-AABGKKOBSA-N 456.450 2.792 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201762320 GBPZQCSNTQOBAE-QMTHXVAHSA-N 452.086 2.765 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248405090 OVCBJWXQYCJOKZ-SPLOXXLWSA-N 479.367 2.715 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2257372936 JUKAYBVRWIQZQQ-HSZRJFAPSA-N 492.406 2.998 50 10 JFGE CC1CCC([C@H](CBr)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 2306824634 ZIZLLPLFWJOUGE-KVULBXGLSA-N 457.390 2.792 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 13619745 MWKJSJUYDGCOLG-OAQYLSRUSA-N 456.495 2.651 50 10 JFGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13977123 IAIPIKPUGTWOOI-UHFFFAOYSA-N 453.305 2.857 50 10 JFGE C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 35146400 SNDJMOUWHCMEGR-JZJYNLBNSA-N 454.534 2.539 50 10 JFGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 58886442 APTXIVFUERZHGJ-RPJLVFAOSA-N 469.235 2.869 50 10 JFGE O=C(NCCCNC(=O)c1cccc(Br)c1)NNC(=O)c1cccc2cccnc12 725865706 JTQVMKNCBCPMOW-UHFFFAOYSA-N 470.327 2.761 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccccc3F)cc2)cc1 1084347881 VBMBRCDXNJAPCM-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE CC(C)CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858954087 HXVWSZAGZNFAMP-UHFFFAOYSA-N 453.448 2.874 50 10 JFGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(C(C)(C)C)c1 1865851729 HLWAFDYYKLLUQA-UHFFFAOYSA-N 472.567 2.607 50 10 JFGE CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)sc2c1 1866215501 ZUXHMDKMMQCJGA-RVDMUPIBSA-N 472.548 2.775 50 10 JFGE Cn1nnc(Br)c1S(=O)(=O)N(CCCBr)Cc1ccccc1 1914642119 RYYKUTQQALDSJQ-UHFFFAOYSA-N 452.172 2.554 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2027642392 MJPGYWSOCSLDJH-JQFCIGGWSA-N 469.401 2.744 50 10 JFGE C[C@H](Br)[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074737874 MWCDDRVAZYEXLR-FMSQNYNMSA-N 489.285 2.645 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2106787878 LFBRUPRUMZMBJT-JYJNAYRXSA-N 451.427 2.516 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(Br)ccc1I 2231668153 QQDDRKNRTMZSRF-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C 2246475620 PZQONGPYBQXYQQ-GJZGRUSLSA-N 479.665 2.769 50 10 JFGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2324349063 JULSKHIDIWRSIY-UHFFFAOYSA-N 482.562 2.524 50 10 JFGE COCCN(C=C(C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 2325141319 SWYMGLOKUSSBEC-HXUWFJFHSA-N 455.536 2.960 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)nc12 33350204 AWRBCPSAXRJMCY-RGEXLXHISA-N 483.981 2.747 50 10 JFGE COCCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822899 VNWLLYYESKQAQQ-BUVRLJJBSA-N 463.332 2.982 50 10 JFGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@@H](c2ccc(C(=O)O)cc2)NC(=O)N1 59385579 GQTUECPMXZWXSB-MMXTWKRJSA-N 457.284 2.926 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610833 GTOOSHGJPJGGJJ-LGUFXXKBSA-N 489.488 2.970 50 10 JFGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 217211322 SWYMGLOKUSSBEC-TXSJJRPESA-N 455.536 2.960 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 254403482 MXYFJHIDZRSPHA-UHFFFAOYSA-N 456.543 2.610 50 10 JFGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1083996518 HQZBSHOQDGVZJD-UHFFFAOYSA-N 482.474 2.639 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc(F)c1 1084492026 GDJZHZRPNPJUSY-UHFFFAOYSA-N 480.334 2.958 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(O)c2)cc1OC 1084540355 KUYHJPLZQGRFMI-UHFFFAOYSA-N 497.573 2.793 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)C1 1860769959 NHVORLMGEAQTNK-LLVKDONJSA-N 475.368 2.807 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3cc(Cl)ccn3)c(=O)c2c1-c1ccccc1 1865852242 QDYCYTYXPFHAPE-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099160 RWIABKAYRHLZDR-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE C[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 2046023258 QUNXYKILRAIUQF-IECZYAKXSA-N 475.380 2.692 50 10 JFGE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2162588092 BBOKUMQZGVCPDK-HNNXBMFYSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(B(O)O)c2)cc1I 2180981739 WURRVYPJOKVGJR-UHFFFAOYSA-N 482.083 2.570 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2198075710 ALTUMZQHNPAJAY-SJORKVTESA-N 470.405 2.562 50 10 JFGE O=C(NCC1(CBr)CCS(=O)(=O)CC1)c1sccc1I 2199815632 XPXMCVSVTFIVHT-UHFFFAOYSA-N 492.198 2.672 50 10 JFGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(C)cc2)CC1 2296846645 LAPLLJBNDZXPBA-UHFFFAOYSA-N 456.550 2.999 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1OC 2313617256 UVDQVPGXZWCCIV-UHFFFAOYSA-N 484.578 2.775 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)Cc1ccccc1 13986915 NPXRBNAQADFBJM-UHFFFAOYSA-N 456.749 2.746 50 10 JFGE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15093008 CMNQKGZPNLDDCD-INIZCTEOSA-N 454.552 2.816 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)cc(F)c3F)CC2)cc1 1631806439 KYMILWGWRAKNEA-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851605 FDUJHFVSHXDIGH-OAHLLOKOSA-N 452.580 2.925 50 10 JFGE COC(=O)[C@@H](CCCl)NC(=O)c1cc(Br)ccc1I 2139584170 OBXCOHRRNWLJRN-SNVBAGLBSA-N 460.493 2.954 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2270094125 DWSGLQQMOWFMII-WMLDXEAASA-N 455.415 2.592 50 10 JFGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2296720349 VDKCNZDRYRIVDZ-IBGZPJMESA-N 492.557 2.622 50 10 JFGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1 2297461742 PTAOHYQOLQFDOO-UHFFFAOYSA-N 454.537 2.967 50 10 JFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1sc2ccccc2c1Cl 13630154 MEKYLYCFDBWYAS-LLVKDONJSA-N 476.967 2.832 50 10 JFGE Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)o2)cc1C 33932947 NUKZLMZFUPQZTE-YBFXNURJSA-N 457.490 2.770 50 10 JFGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(OCC)cc1 48573117 JZLPRQNCQBVFJC-ZMOGYAJESA-N 458.312 2.740 50 10 JFGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2c3c(cccc13)CC2 59464018 ZPEDSTCMIXGKGJ-YDZHTSKRSA-N 452.492 2.763 50 10 JFGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)nnn1-c1nonc1N 254306185 BCMXLZCMXVSHTC-OAHLLOKOSA-N 465.562 2.668 50 10 JFGE Cc1cc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)c(C)c1 254753458 JBYVTEFUHVPMDR-UHFFFAOYSA-N 464.461 2.640 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N)c1ccccc1 254835116 VBINNTHJGZNOCP-UHFFFAOYSA-N 485.430 2.652 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@H](N)C(=O)O)/C(=C\C(=O)O)C1 575626964 BHQAMABUPJQDIU-ZSNSXZSMSA-N 489.015 2.823 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 703993504 KKJBQTVJRDGZID-CZUORRHYSA-N 457.390 2.744 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(F)cc1 728847958 GLFQDVWQCKEQAN-QNGOZBTKSA-N 487.539 2.994 50 10 JFGE Nn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 1083922040 PANRUJOIMMNYCO-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771286 PDFCEGRHICAZSL-FMIVXFBMSA-N 452.536 2.596 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)n2)c1 1865758712 NIQOWMRHFDMZFV-UHFFFAOYSA-N 451.395 2.957 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)C1Br 1942096784 CZCPQKSEBRDIEM-KBPBESRZSA-N 457.390 2.744 50 10 JFGE Cc1nc(I)c(NC(=O)C[C@@H](C)Cl)c(I)n1 1984095220 WNPOBZHRZLVOAG-SCSAIBSYSA-N 465.460 2.950 50 10 JFGE O=S(=O)(CCOCCCl)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1989583837 ZOHQGJKAEIONCO-UHFFFAOYSA-N 453.004 2.633 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@@H]21 2001967181 OCTSQUJMIPULKU-CPUCHLNUSA-N 455.374 2.640 50 10 JFGE O=S(=O)(c1cc(CBr)cs1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123225568 QRIAFBHFPRNVIH-IAGOWNOFSA-N 457.415 2.917 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2177327686 SHBBPVOSAZNFTO-CQSZACIVSA-N 466.442 2.860 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 2179863525 NQNKSZRAEHFLKX-FYQPLNBISA-N 456.450 2.790 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2310811881 QRWBOTPBBURZLR-CYJAXWMASA-N 473.364 2.588 50 10 JFGE CC(C)C[C@H](CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2353835831 VEJAWOCCQMEVNW-OAGGEKHMSA-N 453.443 2.762 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2364202874 XUROTLJBIWRCEP-IERDGZPVSA-N 499.427 2.801 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1Br 10450668 OVGJGUXGBJFLNA-VMPITWQZSA-N 479.312 2.715 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 12485582 BYDORQGRKRTLKN-UHFFFAOYSA-N 464.316 2.793 50 10 JFGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657300 QGYYEHRZRJSCRR-MRXNPFEDSA-N 459.568 2.940 50 10 JFGE COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c(OC)c1 59463974 HOMAXDKUQYYXMO-AFUMVMLFSA-N 467.547 2.872 50 10 JFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CCl 100829697 HHVCVAIASNFMBE-GUGJDKNPSA-N 458.935 2.863 50 10 JFGE endogenous,in-man O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(Br)s1 107696877 NSWGQDXUVRNSEF-ZDUSSCGKSA-N 468.348 2.892 50 10 JFGE COc1cc(OC)cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c1 207177548 RGBOUIZHRSQIPO-ZDLGFXPLSA-N 452.463 2.697 50 10 JFGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 229631380 CDAGCNNJBNAZIK-FWMFRNKASA-N 490.994 2.727 50 10 JFGE CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 252611784 INSXQZZQIZXYOJ-QGZVFWFLSA-N 463.288 2.968 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 703965234 OIQJTBISYFRLHX-BBRMVZONSA-N 457.390 2.744 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Br)cc2)C1 730936118 IRTNXTAKABUNOY-GYXHFJGISA-N 499.413 2.553 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 1644012185 ZRLIIXIZXWVUOG-OAHLLOKOSA-N 457.353 2.801 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)C1 1865851428 BNSOUCQHBWWHOH-QWRGUYRKSA-N 473.486 2.652 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(Br)C2)C1 2053755900 ULIBXZBGEOBWIW-UHFFFAOYSA-N 469.401 2.888 50 10 JFGE CCCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2325888182 CEEFMKJBUIWLOD-UHFFFAOYSA-N 466.563 2.986 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14038035 QMUSOBVYIGSQIV-GFCCVEGCSA-N 466.288 2.913 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813408 VREZAURFIKBHCV-LFVJCYFKSA-N 488.932 2.512 50 10 JFGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254843389 QKFDJGKPFAXGKS-UHFFFAOYSA-N 461.442 2.695 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2nc3cccnc3s2)cc1 1167661652 PNHDRZOQIKHLAG-QGZVFWFLSA-N 459.553 2.580 50 10 JFGE C#C[C@@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467769931 HFZBDFXEQVXSQK-OTMARIDSSA-N 454.328 2.623 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1865851709 GUJMXBBOAZLTDZ-CYBMUJFWSA-N 468.579 2.734 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN=c1nc(C(=O)O)c(Br)c[nH]1 2061261607 BDGWYXCNWOZFPI-UHFFFAOYSA-N 453.384 2.677 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@H](O)[C@@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080453568 OUJYNPNQUGYAMJ-KMCJAPALSA-N 476.566 2.693 50 10 JFGE COC(=O)[C@@H](CCCl)NC(=O)c1ccc(I)c(Br)c1 2139590270 NQYOWTWDLNKQND-SNVBAGLBSA-N 460.493 2.954 50 10 JFGE CC(C)[C@@H](CI)NS(=O)(=O)Cc1ncsc1Br 2213761929 FZJJDLVJGBODNF-SSDOTTSWSA-N 453.165 2.785 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCCCCI)C1 2220214834 KKNCJDCHTRAOII-HNNXBMFYSA-N 467.392 2.945 50 10 JFGE CN(C)[S@](=O)(=NCC1(CBr)CC(F)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2280358299 AJBMIEAHRGUMPC-KFMDJXLUSA-N 471.437 2.912 50 10 JFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296727445 BVNVLMYDVXPFSQ-IBGZPJMESA-N 477.502 2.658 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1COC2(CCN(CCOCCI)CC2)C1 2306798240 CWXDXEYXURQDNU-CQSZACIVSA-N 454.349 2.586 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2364212884 BHLMKQYBHFUJSD-MRXNPFEDSA-N 499.427 2.801 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(Cl)c2)cc1I 12502948 WCNSIDKSODGFCX-UHFFFAOYSA-N 489.722 2.903 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 13978714 IVNKNJAYRIWHEX-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 96653054 HRNNLTHQXVLSPB-XMXAVACDSA-N 453.973 2.558 50 10 JFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 1083951009 OFWQMRUJYFVLBI-UHFFFAOYSA-N 481.530 2.584 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1 1637295016 IPIXXZNZYLTILF-XMSQKQJNSA-N 454.552 2.715 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@H]1Br 1924801376 MLMXRXJYEKNJBG-PBHICJAKSA-N 469.401 2.936 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106782287 PKPIAKAYLXJDEJ-UKRRQHHQSA-N 454.431 2.858 50 10 JFGE O=S(=O)(c1ccc(CBr)s1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123238911 YSGUVDMRZZDBOY-SJORKVTESA-N 457.415 2.917 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC12CCC(NS(=O)(=O)N1CCC(Br)CC1)CC2 2162587639 VZCDXJFWYLPKJS-SWKXRBFHSA-N 466.442 2.906 50 10 JFGE N#CC(=CNCCc1ccccc1Br)C(=O)Nc1cccc(S(=O)(=O)O)c1 2318454310 PEZKISGQZSFWNT-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 2325890477 IPUPLDMWIOUKKS-UHFFFAOYSA-N 460.515 2.994 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2361329018 OPVUUSZDSLUZNF-GDBMZVCRSA-N 466.442 2.812 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OC 10153967 SDIZDFYBNZIGNX-KXKDPZRNSA-N 457.552 2.823 50 10 JFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1sc2ccccc2c1Cl 13630155 MEKYLYCFDBWYAS-NSHDSACASA-N 476.967 2.832 50 10 JFGE Cc1ccccc1C(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59471820 UWPSUBXWDZLHQV-HPNDGRJYSA-N 452.470 2.772 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600296 AZVOXJFHMMMDNA-JJIBRWJFSA-N 479.449 2.943 50 10 JFGE CC(=O)N[C@H]1[C@H](OC(=O)CCl)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@H]1OCc1ccccc1 245189408 FRIJYIDOBDHXKU-YKWUAUMOSA-N 475.925 2.698 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc3c(c2)OCO3)sc2c1CC[C@H](C)C2 254291374 QFYDDBOPGYUCRZ-LBPRGKRZSA-N 457.508 2.867 50 10 JFGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCc3cccnc3)cc2)cc1 1084076036 WUQMBOKQBKCVHS-UHFFFAOYSA-N 459.506 2.564 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCS[C@H](CBr)C1 1942088134 KAPNBMFGINSXOT-CQSZACIVSA-N 475.430 2.595 50 10 JFGE CC(C)(C)OC(=O)NCC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163055510 IQTZQLZEAUCNTO-VHRNVKJDSA-N 466.442 2.858 50 10 JFGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2243911800 XALDRMFVOVNZJS-OAHLLOKOSA-N 464.352 2.534 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2269548399 RLJHTDVZLPVABC-HSZRJFAPSA-N 491.328 2.792 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2301722181 GTCUPUOAALUXES-QFIPXVFZSA-N 478.379 2.704 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501604 HIZWNOLPOJJDTB-UHFFFAOYSA-N 483.331 2.568 50 10 JFGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 13999354 UKOGUVWYPVBCJX-UHFFFAOYSA-N 496.589 2.627 50 10 JFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002221 YHLSBRHDOAVECA-UHFFFAOYSA-N 453.351 2.977 50 10 JFGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14037236 KSJSIGUWHAKJEO-UHFFFAOYSA-N 470.595 2.844 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662616 TVOSISOPOSVKLO-UHFFFAOYSA-N 451.317 2.877 50 10 JFGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58890052 MBJDGEYPLGXVRH-QWUOEIFBSA-N 479.327 2.973 50 10 JFGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2ccc(Br)cc2)c(=O)c1C#N 254377591 CMXDHLLCAFHWKZ-UHFFFAOYSA-N 496.159 2.850 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCN2C[C@@H](Br)C[C@H]2C1 405252857 DTCSRFIWZHVBKG-ONGXEEELSA-N 453.093 2.724 50 10 JFGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 748147494 GZTCKDAWOYURHD-HSZRJFAPSA-N 493.541 2.707 50 10 JFGE CNc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084630955 OOYZNFCRUSJYKD-RUDMXATFSA-N 481.075 2.933 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)cc1 1200232480 HGKPZGPBUNSZLJ-SJLPKXTDSA-N 454.527 2.903 50 10 JFGE Cc1c(C=O)cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521566 AMMZCAMBWNJRNC-UHFFFAOYSA-N 470.334 2.558 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 1892720547 QOLNVLDMUJJJBU-SJKOYZFVSA-N 497.333 2.693 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994704852 LPJNRZBTYSRGAH-HKUYNNGSSA-N 460.040 2.902 50 10 JFGE CCC[C@@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539647 BPBIEILSRVECEW-FZKQIMNGSA-N 463.369 2.884 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106779795 RLHUEQZGEXCNKS-ZDUSSCGKSA-N 454.431 2.573 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)ccc1Br 2121339014 WUPUAZFVFBTPLR-ZJUUUORDSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CO1 2162600837 JVCUVVDFMNQZAD-HUUCEWRRSA-N 463.394 2.790 50 10 JFGE O=C(O)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2343259174 DGLBAHNYKCLJJV-SSDOTTSWSA-N 455.939 2.882 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14033947 LNMDHQRFQXOBKF-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC 254396026 FOKJETLWZNFLSK-UHFFFAOYSA-N 452.511 2.855 50 10 JFGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1084260607 SQTYNSFSYGRJRS-UHFFFAOYSA-N 461.390 2.827 50 10 JFGE Cc1nc(I)c(I)n1-c1nn(C)cc1CCl 1936399331 KABSPGXKXOFITM-UHFFFAOYSA-N 462.460 2.862 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2070015287 QRWBOTPBBURZLR-DRMAHVMPSA-N 473.364 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 2173133780 LFBNGJTZMQREFX-INIZCTEOSA-N 499.427 2.801 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179828013 LKMZVCBYCLNGPD-LJQANCHMSA-N 455.374 2.840 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296731364 RKGUIQYYNGPQQR-KDURUIRLSA-N 457.534 2.840 50 10 JFGE C[C@@]1(CCl)COCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364189820 FQRQQZOKWHTUJG-NRFANRHFSA-N 456.992 2.750 50 10 JFGE CCOc1cc(C=NNC(N)=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 725409676 YDGOUOXPVJZGGF-UHFFFAOYSA-N 456.318 2.926 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 727558048 WMEAURRBAUTZCB-UHFFFAOYSA-N 486.956 2.608 50 10 JFGE CC(C)(C)OC(=O)N1CCC(O)(CNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260511181 RIERXWLJIOMRMA-UHFFFAOYSA-N 463.394 2.622 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)c1 1303281290 ZUCZMVSCARJCAF-AWEZNQCLSA-N 454.556 2.635 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860770079 RWLCGLHRFSELFC-UHFFFAOYSA-N 461.503 2.545 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(OC)c1 1860771229 NJVXZYJEQUXJRW-KBPBESRZSA-N 484.578 2.551 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)C[C@H]1C(F)(F)F 1904642597 MNHAHBOMEDFSMG-GHMZBOCLSA-N 452.255 2.825 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCBr 2000545521 SGRVXHPOCGJTCO-FZKQIMNGSA-N 461.353 2.590 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046680355 SVZKPMFUPGFJQX-CABCVRRESA-N 471.417 2.992 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2133654308 IYHNOBQTGKHSGD-CYBMUJFWSA-N 454.431 2.810 50 10 JFGE C[C@@H](Br)C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2242035365 USNCKDDQSQVNPC-GFCCVEGCSA-N 450.374 2.742 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2268603570 RZLFBSDCNDAGGN-SANMLTNESA-N 484.361 2.819 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1OC 2318469820 YQEYONKJQNKRQP-UHFFFAOYSA-N 458.559 2.759 50 10 JFGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325887584 OYWCAOAWBJTGFK-NEPJUHHUSA-N 487.563 2.974 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4C)c3[N+](=O)[O-])CC2)cc1 40611222 VQILRYCCROSZJR-UHFFFAOYSA-N 463.498 2.785 50 10 JFGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 40890078 IQDXXCMDKMPQFA-GHRIWEEISA-N 461.474 2.720 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58890048 CWQLZVWVBTVENN-OLIBUNOHSA-N 465.300 2.885 50 10 JFGE COc1ccc(O)c(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1 58988262 GBKGBDVEEPVUGB-BUVRLJJBSA-N 454.556 2.514 50 10 JFGE Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NNC(=O)c1ccccc1Br 101568843 AUIPCERFUJRIAH-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE C#CCOc1cc(F)ccc1NC(=O)NNC(=O)c1nn(CCCC)c(=O)c2ccccc12 1623171724 KZMVHOUDNYCULW-UHFFFAOYSA-N 451.458 2.814 50 10 JFGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1627505042 OEJMZKUQIIVVTI-INIZCTEOSA-N 458.968 2.606 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNc2cc(Cl)nc(COCC)n2)cc1 1673397828 BGZSPKQPMWCGJK-UHFFFAOYSA-N 454.940 2.622 50 10 JFGE CC(=O)c1nc(NC(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)sc1C 1677749376 DHLMDFIIXZZQDM-UHFFFAOYSA-N 456.528 2.877 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(CCCNS(=O)(=O)CI)cn1 1983327865 QYCNXWKBWOXSIL-UHFFFAOYSA-N 455.318 2.673 50 10 JFGE O=C(Cc1ccccc1I)NCCOCCCI 2042197469 GLBIAEKUMXFRKJ-UHFFFAOYSA-N 473.092 2.792 50 10 JFGE Oc1ncnc(N2C[C@@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2106984806 GFTFZKZPUOKDKJ-RITPCOANSA-N 452.012 2.796 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)c1ccco1 2116241766 NQFUJPOQGZDJBE-ZDUSSCGKSA-N 452.371 2.539 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163059123 QNWBUMUJCJJUBP-ZBFHGGJFSA-N 466.442 2.812 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@H]21 2199762682 OVSKPVHJHSGGLF-KFKAGJAMSA-N 454.976 2.501 50 10 JFGE C[C@]1(CBr)C=CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2246356801 VTKVFBZPNBTIIA-LJQANCHMSA-N 455.374 2.808 50 10 JFGE CC(C)(C)OC(=O)NCCCOC1CCN(CCOCCI)CC1 2306805019 ODEVRRLCYSBRKU-UHFFFAOYSA-N 456.365 2.834 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CCCCBr 2338954326 UFLTYUYGJVXZOM-UHFFFAOYSA-N 482.036 2.882 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 12503000 VDEGPCAGEJMTRD-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(F)c(Br)c1 27500517 QHZGUTDUDHGLAQ-LSFURLLWSA-N 471.250 2.565 50 10 JFGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(OC)c(OC)cc3OC)c2=O)cc1 169920997 FPYWATWRBKVTRE-QFEZKATASA-N 451.479 2.695 50 10 JFGE O=C(NNC(=O)c1ccc(Br)cc1Cl)NNC(=O)c1cccc2cccnc12 728952291 LKIHNRGODYZKRX-UHFFFAOYSA-N 462.691 2.940 50 10 JFGE C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 729385444 GIIQXNRAWVPOEN-MCRQTXEHSA-N 452.946 2.861 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)CC1 1772749924 RTQYYWDXLIFVAA-UHFFFAOYSA-N 467.522 2.849 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 1948581666 UEWYDFWOCQVBCD-IBGZPJMESA-N 455.374 2.547 50 10 JFGE C[C@H](CCBr)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532700 LTUYFESMBJRLHS-ACJLOTCBSA-N 463.369 2.741 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)CC1 2046031550 GBPGPVYBWTWSRP-IFXJQAMLSA-N 475.380 2.838 50 10 JFGE CC(C)(C)OC(=O)N1CC2(CCC(NS(=O)(=O)N3CCC(Br)CC3)CC2)C1 2162600392 IMWIOYVCFLGFQY-UHFFFAOYSA-N 466.442 2.860 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185505869 JVLXHLINGCRZRI-ROUUACIJSA-N 455.374 2.839 50 10 JFGE Cc1c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc(B(O)O)c1Cl 2268655067 HLBLAZSTNMDDGZ-FOIQADDNSA-N 476.766 2.765 50 10 JFGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2278972644 UYTWJXLSIPRABF-KRWDZBQOSA-N 479.396 2.941 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1OC 10000372 XREICCPHYLTYLK-WUXMJOGZSA-N 457.552 2.941 50 10 JFGE CCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 19651374 IFXCGVCNQGBELQ-HJQVIKLGSA-N 455.540 2.535 50 10 JFGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)ccc1O 58992096 HGNXMOJNKWPVAT-LSHDLFTRSA-N 491.371 2.768 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccccc1OC 252622968 OGUDFMXRYIJFOQ-UHFFFAOYSA-N 462.539 2.508 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)sc2c1CC[C@@H](C)C2 254556627 WBUVYBKPBBDIDI-LLVKDONJSA-N 474.495 2.752 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 254745471 VSKNCRWEPCCMFA-UHFFFAOYSA-N 473.445 2.728 50 10 JFGE C[C@@H](Oc1ccc(C=NNC(=O)COc2ccccc2I)cc1)C(=O)O 1084014677 MZFHRBVEJMTWLX-GFCCVEGCSA-N 468.247 2.672 50 10 JFGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCc1cccnc1 1084258851 KYEUNHQBCBGVHG-UHFFFAOYSA-N 479.924 2.909 50 10 JFGE CC(=O)c1cc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)ccc1C 1136034389 XHOWVHGWYKILHC-UHFFFAOYSA-N 454.490 2.974 50 10 JFGE COc1cccc(NC(=S)NNC(=O)C2CCN(C(=S)N[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1 1615948464 IEYRBZKUVLMXHS-QOKNQOGYSA-N 459.641 2.564 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046680357 SVZKPMFUPGFJQX-HUUCEWRRSA-N 471.417 2.992 50 10 JFGE CC1(C)C[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050618241 JVHRPMUYPOAQAD-DJJJIMSYSA-N 475.380 2.979 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2cc(I)ccc2O)CC1 2169349096 NRZCNQBNJLBITB-SNVBAGLBSA-N 453.118 2.538 50 10 JFGE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cnn(CCCBr)c2)CN1Cc1ccccc1 2179792220 CXJRDSSYUXWENA-FUHWJXTLSA-N 455.422 2.952 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@H]21 2246603197 PJMXECRMALQASR-JJRVBVJISA-N 455.374 2.640 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2256622026 BIXUNLAHMVITRG-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE CN1CCN(C(=O)c2c(F)cccc2I)[C@H](CCBr)C1 2282804197 BLQDVTWPQNDDST-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)CC1 2284054745 IJWHLRRWOAWMTP-UHFFFAOYSA-N 487.793 2.518 50 10 JFGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(CCOCCI)C2)CC1 2326647882 ORXUKEKDTQDNAE-INIZCTEOSA-N 467.392 2.501 50 10 JFGE Cc1ccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)n(CCN(C)C)c(=O)c43)c3ccccc32)cc1 39919012 CKCFNRXSEAIWGZ-LJAQVGFWSA-N 495.583 2.946 50 10 JFGE O=C(NN=Cc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 263632469 HTRMLPXRPGSRQM-UHFFFAOYSA-N 450.432 2.887 50 10 JFGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686174769 IMVFQHURXOFUFX-BQGCOEIASA-N 455.374 2.639 50 10 JFGE Cc1cc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c(C)o1 1084531708 BCWASHCRODZVCL-UHFFFAOYSA-N 456.458 2.673 50 10 JFGE C=CCC(F)(F)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1463587094 RJKGHOPQOGOACT-UHFFFAOYSA-N 451.495 2.788 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](CBr)CC1 1942099877 XIGHGEKBOFQAFG-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002033889 BGBLZADMUOXYEC-CZUORRHYSA-N 457.390 2.744 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC12CCC2 2046018376 IGWSQBNBDNQNLR-SCLBCKFNSA-N 473.364 2.733 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)(F)F 2046028606 JRNVPBIPTQLYJS-HNNXBMFYSA-N 489.285 2.600 50 10 JFGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106296664 UAXQGYUPOUPKLH-GOSISDBHSA-N 483.384 2.897 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Br)cc1Br 2121335839 CPPPXTSKAPWSTJ-ZJUUUORDSA-N 475.984 2.502 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)C[C@@H](F)C1 2316821133 BQXGEVFGLIHEDC-LSDHHAIUSA-N 475.380 2.980 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)c(C)c1B(O)O 2317612687 IRMSCQWNMGKTCW-QFIPXVFZSA-N 492.406 2.978 50 10 JFGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325068347 UWTQUYFCYIFBIZ-LJQANCHMSA-N 468.579 2.595 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1COC[C@@H]1Br 2338844027 XQIAVIADQORPTF-QAPCUYQASA-N 487.416 2.562 50 10 JFGE COc1ccc(CCO[C@@H]2CS(=O)(=O)C[C@H]2I)c(Br)c1 2364694574 BLKNMDAYXSJOFP-CHWSQXEVSA-N 475.142 2.617 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 10672464 GFKKOBOTVQXZQE-HNNXBMFYSA-N 473.551 2.755 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13976620 DICDZFDWHNKFCD-BJMVGYQFSA-N 478.368 2.880 50 10 JFGE COc1cc(C#N)c(NC(=S)/C(C#N)=C(/N)N2CCN(c3cccc(Cl)n3)CC2)cc1OC 100331288 TVBBOTAGZSHEEG-QNGOZBTKSA-N 483.985 2.879 50 10 JFGE Cn1cc(Br)c(C(=O)Oc2cccc(C=NNC(=O)c3ccc(O)cc3O)c2)n1 254709018 ZEJOBOKCAFENHF-UHFFFAOYSA-N 459.256 2.577 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 730517482 XLMYAAZKOQWOFA-HXUWFJFHSA-N 457.596 2.987 50 10 JFGE O=C(CNc1cccc(Br)c1)NNC(=O)CNc1cccc(Br)c1 1857657235 SOAIYLUTVYBEHX-UHFFFAOYSA-N 456.138 2.883 50 10 JFGE CC1(C)CCC[C@@]1(CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1945377568 RJWGGBARWNAUCW-IBGZPJMESA-N 457.390 2.936 50 10 JFGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2000539594 BDWRXDJPRPKLDN-KPZWWZAWSA-N 463.369 2.740 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CCBr 2046022824 NGVJAMBOJFUYKS-IFXJQAMLSA-N 475.380 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@](CCl)(C(F)(F)F)C1 2111394819 RFYXOQIDIOYZSU-QGZVFWFLSA-N 452.882 2.886 50 10 JFGE O=S(=O)([C@@H](CBr)C1CC1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179826351 RAUCYANOKVFPFX-PMACEKPBSA-N 457.434 2.857 50 10 JFGE COCCN(C[C@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259724329 JNHKXNSOGBNPAJ-HNNXBMFYSA-N 475.405 2.515 50 10 JFGE O=C(NCCCC(=O)N1CCc2c(cccc2B(O)O)C1)OCC1c2ccccc2-c2ccccc21 2269562201 JFEZPCCJECCOEN-UHFFFAOYSA-N 484.361 2.570 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 2325886163 BHHWZMUDTZXOEL-ZIAGYGMSSA-N 481.534 2.913 50 10 JFGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 2325902799 FHXMZKZBTAWTQV-NSHDSACASA-N 471.495 2.671 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1COC(C)(C)[C@H]1Br 2338690068 CBLDFPFCUXYASK-XRGYYRRGSA-N 459.964 2.616 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H](CCBr)C1 2338846333 YFWXPQZIBDJHOE-INIZCTEOSA-N 487.416 2.659 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10294053 HARFPGNUAHZTND-JTQLQIEISA-N 470.334 2.883 50 10 JFGE CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OCC 33417380 HKAVYYNJKDQOMU-QPEQYQDCSA-N 493.305 2.795 50 10 JFGE CC(=NNC(=O)[C@H]1C[C@@H]1C(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 252623001 OHPMRYAXDPTKQM-OALUTQOASA-N 452.427 2.520 50 10 JFGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 252629762 UNHDJFMXVJCIBS-VELNVZKLSA-N 474.429 2.950 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)c1-c1ccc([N+](=O)[O-])cc1 254385286 BMSHPGLNSNMMQA-UHFFFAOYSA-N 487.358 2.590 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Br)cc2)C1 730936116 IRTNXTAKABUNOY-CJMVGXJBSA-N 499.413 2.553 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084171218 HCVVRUIEANMXNZ-UHFFFAOYSA-N 477.315 2.719 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2cccc(F)c2Br)cc1 1455427703 AZHNDNURAVMFMA-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE COc1ccc(CN2C(=O)C(=CNNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2040441724 LEQJQBVXGHUQGV-XMMPIXPASA-N 485.496 2.680 50 10 JFGE O=S(=O)(NC[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2097824517 OIOXUGFAGUMJNS-GMSGAONNSA-N 478.000 2.900 50 10 JFGE O=S(=O)(c1cccc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179820094 UHCZPCWMDHZRMD-UXHICEINSA-N 451.386 2.855 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2257372908 JUKAYBVRWIQZQQ-QHCPKHFHSA-N 492.406 2.998 50 10 JFGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)=Cc1ccccc1 2296946525 LAAQBZOWMLXNGF-UHFFFAOYSA-N 459.426 2.627 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)C1 2325887585 OYWCAOAWBJTGFK-NWDGAFQWSA-N 487.563 2.974 50 10 JFGE Cc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C(F)(F)F)n1-c1ccccc1 20831463 LAQFWMUMPHDFBA-UHFFFAOYSA-N 464.473 2.990 50 10 JFGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)c1nc3cc4c(cc3nc12)OCO4 33808895 VZYDGWCEXJKOII-FTJBHMTQSA-N 474.517 2.914 50 10 JFGE Nc1c(NNC(=O)c2ccccc2Cl)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40784880 LAGWRIPFODIHBS-UHFFFAOYSA-N 481.944 2.520 50 10 JFGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686174771 IMVFQHURXOFUFX-UTJXIGIESA-N 455.374 2.639 50 10 JFGE Cn1cc(C(=O)NCC2CCN(C(=O)/C(C#N)=C\c3cn(CCC#N)nc3-c3ccccc3)CC2)cn1 727645771 DGOUKKCREJFSGF-HMAPJEAMSA-N 496.575 2.773 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=CC(Cl)(Cl)Cl 1084182341 NDPNKKWLWQXVRJ-UHFFFAOYSA-N 473.777 2.821 50 10 JFGE C#CC[C@]1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1137652072 YSFKURPWPFTWKC-HXUWFJFHSA-N 457.499 2.919 50 10 JFGE C=CCONC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1470186320 ZUBHMAWTURQJMS-UHFFFAOYSA-N 458.418 2.568 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2016017925 JSJMVHYUHAQYAZ-ULQDDVLXSA-N 455.374 2.640 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H](Br)C2(CCOCC2)C1 2120026375 OKKUZWADPKTVHV-SECBINFHSA-N 457.131 2.764 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C[C@H]1O 2172854099 OBQIDAKEPGNWSF-FVQBIDKESA-N 463.394 2.524 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2CCO[C@]2(CBr)C1 2239902946 JREOXCIJARYOMR-QMTHXVAHSA-N 452.086 2.623 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2257371609 DNQSIOJTRSVOIS-HSZRJFAPSA-N 492.406 2.998 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2269686158 IBJRIYSGMAPQQF-VWLOTQADSA-N 490.340 2.685 50 10 JFGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2296545965 DHSTWPFQIOMFSB-HXUWFJFHSA-N 462.531 2.758 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630234 UFORXJDXLIGTEM-QGZVFWFLSA-N 472.567 2.533 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 14041066 BQNFREVVRRVXIP-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccccc2OC)cc1 33565509 DBPGPWILYZVGGU-RAXLEYEMSA-N 471.535 2.787 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 54624901 DKXSITSZSKYCLX-GZTJUZNOSA-N 469.450 2.566 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Br 58987001 CEHIYMIVVSCNHX-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE Cc1ccc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 252625672 QOVVQYYJBMHNIP-KRWDZBQOSA-N 450.904 2.860 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCC[C@H](CBr)C1 703972562 FJFMPNWEOMHDSO-GJZGRUSLSA-N 457.390 2.793 50 10 JFGE COc1cc(CCNC(=O)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 1084046382 VBSQPAMHYABGCY-UHFFFAOYSA-N 454.310 2.828 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cccc1[N+](=O)[O-] 1860771158 LTAAMHBOUZVCHH-DGCLKSJQSA-N 469.523 2.822 50 10 JFGE C[C@@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1947848886 POBQKXVZHKOXDX-VFPJAPOESA-N 455.374 2.783 50 10 JFGE C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2163058675 MMGGREUQUYXNNE-RBSFLKMASA-N 468.458 2.962 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2338837286 PGHVAEWPPAUHFT-CVEARBPZSA-N 487.416 2.657 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC2(CC[C@@H](CBr)O2)C1 2361880235 VOMNBBHWPPQCGA-JTQLQIEISA-N 452.086 2.765 50 10 JFGE CC[C@]1(CBr)COCCN1C(=O)c1c(Br)c(Br)nn1C 2364231466 ZJVZTFQGDTVXRE-LBPRGKRZSA-N 473.991 2.961 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14655756 TVUPHEXSBDHNTK-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1OC 20259190 WRZWNQRCDCZNRI-MFKUBSTISA-N 483.546 2.751 50 10 JFGE O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)C1=COCCC1 727765969 YHDQLLAXRZDYNC-UHFFFAOYSA-N 469.441 2.962 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1 1562130381 UEBJSSRSCWOYFD-SFHVURJKSA-N 453.543 2.570 50 10 JFGE CN(C)[S@](=O)(=NCC1(CBr)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106783236 YFPCTXKGGNDWDD-AREMUKBSSA-N 453.447 2.964 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1cc(Br)ccc1I)N1CCOCC1 2145632424 ITSCCFNQKVYZMQ-LLVKDONJSA-N 494.576 2.996 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2163056913 WVWHNVNZEIUYJN-PTFIGZPYSA-N 488.470 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2C[C@@H](Br)C(F)(F)F)CC1 2163061925 JAZAITOKDDIDST-CHWSQXEVSA-N 458.319 2.856 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@H](Cl)CO2 2173128308 LYGQTLGWWILMSN-INIZCTEOSA-N 454.976 2.645 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC 2297560241 FLKGWQLJLGIRSJ-QHCPKHFHSA-N 493.560 2.644 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2301723991 YRUZQIUBRJBSNS-IQMFZBJNSA-N 478.379 2.922 50 10 JFGE CCOc1c(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cccc1OC 2323172516 HOAQZHQFEZUTIL-QGZVFWFLSA-N 455.496 2.674 50 10 JFGE O=C(COc1ccc2ccccc2c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12502649 CETGDODZPCGADI-UHFFFAOYSA-N 462.531 2.903 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14012737 BBXFBTDJSXCZDG-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815070 BCUZLDCMRHOKAK-HKOYGPOVSA-N 466.519 2.682 50 10 JFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccccc4)c(C)c32)cc1 40815292 CFXPLJPZFRSCBO-NCELDCMTSA-N 480.546 2.990 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)NNC(=O)C1CCC1 59879612 OHVBWXBEJDDNFM-ZMOGYAJESA-N 479.566 2.869 50 10 JFGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102974858 NSAGGUGHVNFKTJ-METDLLNWSA-N 450.501 2.860 50 10 JFGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216949216 KHURNQKEUBUESH-KHPPLWFESA-N 469.260 2.996 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C[C@H]1CCCO1 887560187 CTTDNYMCPOBMOW-QJHBYIDDSA-N 470.448 2.511 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 920853811 HFRKBDLWCBKMAA-GIDKMQSTSA-N 478.597 2.720 50 10 JFGE CC(=NNc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 1083928718 GYNYSJZILRWLPJ-LLVKDONJSA-N 480.392 2.831 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1)NCc1ccco1 1084282659 UBYGLFVCEKCIQH-UHFFFAOYSA-N 499.321 2.826 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)NCc1ccco1 1084367463 KLMNAIUTSOQVRC-UHFFFAOYSA-N 499.321 2.826 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(S(=O)(=O)CI)CC1 1983327981 RWLLMLPKUXITBQ-VIFPVBQESA-N 472.267 2.582 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2CCCC[C@@H]21 2163051191 QTAGPMSSVGZGDM-HOTGVXAUSA-N 466.442 2.954 50 10 JFGE O=C(N[C@@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(CBr)cc1)C2)C(F)(F)F 2163053899 RROVHIACHPJSKW-MRVWCRGKSA-N 455.296 2.802 50 10 JFGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257372911 JVNKFHJWAZOWQW-QGZVFWFLSA-N 472.350 2.861 50 10 JFGE Cc1c(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2268705543 FAAAGHZSUUFDRD-QGZVFWFLSA-N 476.766 2.767 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2OCC[C@@]2(CBr)C1 2296378849 VHOVEEZDGGIDGQ-TZMCWYRMSA-N 452.086 2.623 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2328799849 BEBSJCZCLSSEPW-SFHVURJKSA-N 476.530 2.971 50 10 JFGE O=C(COc1cccc2ccccc12)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12574165 UMQDPLPKVKZXMD-UHFFFAOYSA-N 462.531 2.903 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 14025866 GVXMWJXFDBMONU-UHFFFAOYSA-N 452.261 2.525 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc(C)c1Cl 40844464 FFZUODHAMCTTGZ-HXUWFJFHSA-N 457.914 2.804 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc2ccccc2c1 254294753 LMMDPQATMDPKOQ-HNNXBMFYSA-N 473.541 2.914 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 709123863 FBJHZMMXKGCPMY-ZIAGYGMSSA-N 457.390 2.601 50 10 JFGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 719785313 CLYGYOKKAZTBKJ-UONOGXRCSA-N 457.390 2.744 50 10 JFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 725417362 BPNVKYYVXYZAMH-UHFFFAOYSA-N 497.529 2.748 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H]2C[C@@H](Br)CC[C@H]21 1940527001 CSXQXSOBXBMLOT-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146695156 SPLXYNKCZWERRQ-NDMJEZRESA-N 452.086 2.764 50 10 JFGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301131601 NVVNPDKNATYYFY-WMLDXEAASA-N 457.390 2.888 50 10 JFGE Cc1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2307569981 JNINFGHNYHJLAU-OAHLLOKOSA-N 462.286 2.680 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1COC(C)(C)[C@H]1Br 2338690067 CBLDFPFCUXYASK-XNCJUZBTSA-N 459.964 2.616 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664793 LATFXHIUAXRRPQ-UHFFFAOYSA-N 473.551 2.755 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811740 LLZJGJXJZHTXTG-JJIBRWJFSA-N 488.386 2.713 50 10 JFGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 254557534 FPKHBUZFKUPBMN-UHFFFAOYSA-N 459.514 2.607 50 10 JFGE CC(=NNC(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(N2CCOCC2)cc1 254703738 MNMDAVYZWWTWFG-KVEMZPMDSA-N 463.586 2.736 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 725414716 MKPMNZFVMWYSAP-NHCUHLMSSA-N 496.589 2.682 50 10 JFGE O=S(=O)(c1ccc(N2CC[C@H](B(O)O)C2)nc1)N(Cc1ccccc1)Cc1ccccc1 864233120 GTODQTILHWASPX-NRFANRHFSA-N 451.357 2.526 50 10 JFGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1135239651 OJWRBPFXGCDISS-MDZDMXLPSA-N 455.334 2.508 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CN(C2CC2)S(=O)(=O)CI)CC1 1983327445 MSADZFUZABGCAM-UHFFFAOYSA-N 458.362 2.820 50 10 JFGE CC[C@H](C)N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544869 QJMOTGHGCXYJNV-UGSOOPFHSA-N 463.369 2.836 50 10 JFGE COC(=O)[C@@H](CCCl)NC(=O)c1cc(I)ccc1Br 2139584092 NGRAPOSNLKEDIN-SNVBAGLBSA-N 460.493 2.954 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2257385352 YXWZAXISGGKTJL-UHFFFAOYSA-N 480.276 2.900 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)c(C(F)(F)F)c1 2282258878 NGUCVVOVLSTSLA-UHFFFAOYSA-N 480.292 2.942 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2296557198 YCTRAXLWRQMRNO-FCHUYYIVSA-N 495.630 2.551 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)[C@H]1C2 2330955093 CEWBJKAGDIFRSA-ITSWUFQBSA-N 487.391 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)C[C@H]1CCOC1 2364215793 XCWVQLALKSENPK-SJORKVTESA-N 456.992 2.796 50 10 JFGE Cc1ccc([C@H](O)CNC(=S)SSC(=S)NC[C@H](O)c2ccc(C)nc2)cn1 13739334 WTVSHZHSAFXTCM-IYBDPMFKSA-N 454.668 2.991 50 10 JFGE COc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14006350 BWCZJYFIPWZTCG-NSHDSACASA-N 470.263 2.537 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990582 SVTKWIOOMZQVSF-FBMGVBCBSA-N 487.516 2.592 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 97664637 WBVQBUSLIMELKE-WXMOEMMVSA-N 491.548 2.710 50 10 JFGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 263627731 LAAQBZOWMLXNGF-VMPIIEGYSA-N 459.426 2.627 50 10 JFGE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)c1ccc(Br)cc1 1116005770 QHRURLQCVLTNPU-OAHLLOKOSA-N 479.718 2.769 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1 1230489567 RXESLCKJCVZLPL-JOCHJYFZSA-N 451.486 2.763 50 10 JFGE C/C(=C\C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(C(F)(F)F)cc1 1597885190 DEAAAYUIDIBBBZ-ZRDIBKRKSA-N 455.296 2.935 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2055499959 QLAMUSGBDRGKAC-ZUZCIYMTSA-N 489.285 2.646 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(C[C@H](Cl)CO2)C1 2364190484 NIBVVYHGADIDRM-HRAATJIYSA-N 454.976 2.645 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 10154409 SFJVQTVVNRTPKO-QGZVFWFLSA-N 459.568 2.822 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1I 12502956 GLPMJZTXBATJCF-UHFFFAOYSA-N 489.722 2.903 50 10 JFGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2 254836020 LKEJYTOIDVLYIR-UHFFFAOYSA-N 482.474 2.669 50 10 JFGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1084630244 XYAHFSGKIJYMHB-UHFFFAOYSA-N 452.511 2.612 50 10 JFGE C#CC[C@]1(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)CCCN1C(=O)OC(C)(C)C 1540382735 JVTWKUUXMDCEBZ-XMMPIXPASA-N 453.543 2.539 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)C1 1860770045 QIEZRPROZGQNCQ-HNNXBMFYSA-N 454.552 2.589 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1873792395 ALHQJRSVEVLKKA-SOAGAIGUSA-N 474.514 2.821 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CCN(CCO)C(=O)OC(C)(C)C 1902575004 AEESCSURBXZCEN-UHFFFAOYSA-N 467.654 2.628 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CBr)C1 2222899824 OZBMRXSTHNMFRB-FOIQADDNSA-N 469.401 2.890 50 10 JFGE CCN(C[C@@](C)(CI)OCCN1CCN(C)CC1)C(=O)OC(C)(C)C 2255378507 AIMZBEUFJSEUDS-GOSISDBHSA-N 469.408 2.701 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCCc2c(B(O)O)cccc21)Cc1ccccc1 2268606522 AOKXAUSXSIFPSW-UHFFFAOYSA-N 452.360 2.863 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 2297397796 JPRJMXZXANFYBK-UHFFFAOYSA-N 466.563 2.853 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@@H]2COC3(CCC3)CO2)C1 2301367877 HUDKBTSDBZJSKG-RDBSUJKOSA-N 453.317 2.764 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 2314793570 UMYSLEPUOTVMEB-UHFFFAOYSA-N 451.435 2.897 50 10 JFGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C1 10736560 FICQCWFZDNMWEN-CALCHBBNSA-N 468.579 2.920 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 13976677 KTKVVROGGCJNOL-UHFFFAOYSA-N 477.930 2.919 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC(C)C)cc1 14035450 DOCAXRJKWMWJJE-UHFFFAOYSA-N 473.551 2.613 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)c2cc(Br)cn2C)c(C)n1C[C@H]1CCCO1 26605341 QMRKTRGCBLTCNR-XSZFBFBBSA-N 474.359 2.753 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c(OC)c1 254714444 XIHYUDUZHYWKEJ-UHFFFAOYSA-N 456.484 2.650 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084017468 KMEJKBBPIAFECP-UHFFFAOYSA-N 465.531 2.769 50 10 JFGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)cc1 1625007768 ATYLSTNDAPBVQZ-OAQYLSRUSA-N 456.458 2.845 50 10 JFGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)c1 1772748590 BDFKUYLHIYHIIW-UHFFFAOYSA-N 468.554 2.519 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772752063 SWZLLIHDOLEOQC-UHFFFAOYSA-N 498.536 2.750 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC[C@@H](NS(=O)(=O)CI)C2)CC1 1983330977 ULNHGHSSGQYQMC-GFCCVEGCSA-N 458.362 2.868 50 10 JFGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539485 KXZHKIYLDOWGFX-XIKOKIGWSA-N 463.369 2.740 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2256636184 NCDBIVOSZCGTGS-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)CBr)cc3C2)cc1 8839997 MQXZYUGYONMMDD-UHFFFAOYSA-N 459.387 2.836 50 10 JFGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 14041944 HDHBCMQZWATTOE-UHFFFAOYSA-N 461.540 2.841 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1OC 254392001 IXKNAWVGKAZOBD-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE O=C(NCc1ccc(COc2ccccc2)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728949891 VSAPNSOSIWONRX-UHFFFAOYSA-N 460.538 2.803 50 10 JFGE C=CCNC(=S)NNC(=O)c1cc(Br)cc(I)c1C 1540445205 WMPDOHJFMNUTGJ-UHFFFAOYSA-N 454.131 2.657 50 10 JFGE O=C(NCc1nnc(CBr)s1)c1ccc(I)c(O)c1 1877558343 NJGFKDMBFSFYQT-UHFFFAOYSA-N 454.087 2.673 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1S(=O)(=O)N1CCC(Br)CC1 2106778479 DNHHWAYZNSFLIX-BFHYXJOUSA-N 454.431 2.809 50 10 JFGE O=C1CN(C(=O)c2cc(I)ccc2Br)CCN1CCCl 2171080266 ANIZNESMGUDHJH-UHFFFAOYSA-N 471.520 2.577 50 10 JFGE Cc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2248899234 KDVBYPMJTLQHHY-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2257374543 RBMILZRUEHEZPB-XMMPIXPASA-N 492.406 2.998 50 10 JFGE CC(C)(C)OC(=O)NCc1ccc(Cl)cc1Nc1ncc(Br)cc1B(O)O 2284034992 NOHHSZADEPVXTQ-UHFFFAOYSA-N 456.533 2.946 50 10 JFGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc(C#N)c(C#N)nc12 101107962 KZCQVWOSAVZVOF-YTEVENLXSA-N 485.331 2.908 50 10 JFGE COc1cc2c(cc1OC)/C(=C\C(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 254504558 VTVKTKKZFZIUAM-ZFTRAUTGSA-N 452.467 2.597 50 10 JFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC 254701974 YPQCAVSLDMSZJG-UHFFFAOYSA-N 482.449 2.761 50 10 JFGE N#Cc1ccc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c(F)c1 729880097 ZAYLMHJDZKMFKZ-UHFFFAOYSA-N 470.468 2.543 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4CN3Cc3ccccc3)cc2C1=O 747787948 ZKTQMRBHNYZHCP-RUZDIDTESA-N 494.551 2.857 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)CC1 1772745837 JQPBVQWFHKBZFZ-UHFFFAOYSA-N 482.493 2.992 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 1902968443 DMAWUCHIFWMLPI-ZDUSSCGKSA-N 484.770 2.625 50 10 JFGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NCCOCCI)C1 1904640673 WOPQXSJLPNKEPW-RKLPPVLTSA-N 460.378 2.839 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCC1 2000545545 SKIULOFVWLDHPE-QGZVFWFLSA-N 461.353 2.638 50 10 JFGE O=S(=O)(N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)N1CCCC[C@H]1CBr 2179809837 YRRKFLTYNYUDJF-ZCNNSNEGSA-N 456.450 2.935 50 10 JFGE C[C@@H](CBr)CC1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2222864113 MPCVKEPRJLPJEA-CQSZACIVSA-N 471.417 2.992 50 10 JFGE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1B(O)O)Cc1ccccc1 2268635811 WBQMCBOMSJNAMS-UHFFFAOYSA-N 468.237 2.641 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)[C@H]1C2 2330955095 CEWBJKAGDIFRSA-NYYTWLDWSA-N 487.391 2.979 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC 14031756 QWUVZDKKJDVHOS-AWEZNQCLSA-N 483.546 2.969 50 10 JFGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccccc2)CCC3)cc1 40815071 LNCUPOJOIINWDQ-NCELDCMTSA-N 480.546 2.990 50 10 JFGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])CC2)c1C 54520656 MSRDENNXWFWOOI-UHFFFAOYSA-N 492.496 2.993 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1cc(C(=O)OC)ccc1C(=O)OC 217155929 PUBKPXDGSIWIIO-SQFISAMPSA-N 451.435 2.895 50 10 JFGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 726312326 GGTQUFMBRNVAHM-KUHUBIRLSA-N 494.967 2.903 50 10 JFGE C/C(=C/C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(C(F)(F)F)cc1 1597885188 DEAAAYUIDIBBBZ-BENRWUELSA-N 455.296 2.935 50 10 JFGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2cc(OC)ccc2Br)ccc1F 1630070805 DBGCJHHDKOUDET-UHFFFAOYSA-N 458.309 2.818 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(O)cc2)CCC3)CC1 1772744859 LRQHCBFYPXBYJF-UHFFFAOYSA-N 453.495 2.789 50 10 JFGE CCCOc1ccccc1/C=C/C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770955 DEUXPMPAXLZVBD-VAWYXSNFSA-N 466.563 2.986 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771299 PQOUORJCZVZKFQ-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE CNS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(OC)c(OC)c3)sc2c1 1866132834 CMRONLZWMRUCCR-MDWZMJQESA-N 458.521 2.767 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@@H](CBr)C1 1942098558 OLVIENPUVBGSMS-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CC12CCC2 1949820961 WBRDFCYHSQESDJ-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE CC(C)C[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540203 DJLGVHQDTBTSBK-ACJLOTCBSA-N 463.369 2.740 50 10 JFGE CC[C@@H](C)[C@H](CI)NC(=O)c1cnn(C)c1I 2023034383 SGURCYRPQHPZPE-APPZFPTMSA-N 461.085 2.604 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046023866 WCAZKQSRZOFYFY-BIENJYKASA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@H](F)CBr)C1 2078357229 GORCBDNBMQSXFL-SEEARECTSA-N 475.380 2.740 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2175048675 PVTGYWSWPYSIQE-UKRRQHHQSA-N 466.442 2.764 50 10 JFGE Cc1cc(B(O)O)c(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1Cl 2247872638 WPGCKSHBQORUEX-UHFFFAOYSA-N 478.741 2.597 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=CC(Cl)=Cc3ccccc3)CC2)cc1 2293746715 NCUNJPPMTBIQJR-UHFFFAOYSA-N 460.987 2.683 50 10 JFGE CCN1CC[C@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338867721 RFYNKXLPQWTNLU-RNFRBKRXSA-N 480.020 2.805 50 10 JFGE BrC1CCC2(CC1)CN(Cc1ncc(I)cn1)CCO2 2381289379 WXWGQBLYZCDJPZ-UHFFFAOYSA-N 452.134 2.990 50 10 JFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976714 LMQPJAFDDYUIMD-UHFFFAOYSA-N 484.321 2.956 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13982184 GJGSOIUGGKVJKE-UHFFFAOYSA-N 452.492 2.521 50 10 JFGE COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2Br)n1N 58990318 GILRXXSOMBSLCE-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 228923866 QTGLIOANOQZSKG-NCHNDMATSA-N 464.528 2.538 50 10 JFGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1O 1083933984 HLXRGXVBDARBMM-UHFFFAOYSA-N 477.315 2.804 50 10 JFGE CC(=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 1083956758 QIGZYSWQFLQEOO-UHFFFAOYSA-N 483.510 2.709 50 10 JFGE COc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)ccc1O 1084228192 ATOZLXLNXGBRQV-UHFFFAOYSA-N 467.547 2.785 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053993988 KVCRXSHCQQPPJQ-GRDNDAEWSA-N 469.401 2.601 50 10 JFGE Cc1cc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)sc1B(O)O 2256596977 BXGQMHYCBTZNOS-QHCPKHFHSA-N 492.406 2.916 50 10 JFGE O=C(NCCCC(=O)N1Cc2ccc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2257383339 VBFJUNSTCWZABR-UHFFFAOYSA-N 470.334 2.528 50 10 JFGE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cscc1B(O)O 2302678494 HADGYAPLNBBXEZ-HNNXBMFYSA-N 476.363 2.676 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(O)cc2)CCC3)cc1 101596860 VMWHIDGFXPTQIT-LGUFXXKBSA-N 476.489 2.847 50 10 JFGE Cc1sc2ncn(CCC(=O)NNc3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c2c1C 728975317 JZEXSEMFFMDWSB-UHFFFAOYSA-N 456.496 2.605 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC 1873499344 QODOJWMSYKCKNE-DDFZXGMKSA-N 474.514 2.981 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N(CCBr)C1COC1 1915543330 SHPPSZORZIISDZ-UHFFFAOYSA-N 478.000 2.996 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2NS(=O)(=O)CI)CC1 1983327439 MOBOUIVPMAAACT-LBPRGKRZSA-N 458.362 2.868 50 10 JFGE C[C@@H](CCCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532286 ILSWVMZBNNRCQV-SCLBCKFNSA-N 463.369 2.884 50 10 JFGE C[C@H](CCCCCI)NS(=O)(=O)c1cc(Br)nn1C 2117884500 XLVMCZKNSOULIU-SECBINFHSA-N 464.167 2.845 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2248420507 VQHPKXGESXQWBF-HSZRJFAPSA-N 478.379 2.607 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248892266 HHKDAWNHWVSICN-HXUWFJFHSA-N 479.367 2.715 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2301721666 AWFNRSXILWVRLG-QHCPKHFHSA-N 478.379 2.704 50 10 JFGE COCCOc1ccc(C=C(C#N)C(=O)N2[C@H]3CC[C@H]2C(=O)N(Cc2ccccc2)C3=O)cc1 2325117841 GFXZRIOEUIOAOE-GOTSBHOMSA-N 459.502 2.547 50 10 JFGE O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 13977252 RSJBSQGGFQNHLH-XCVCLJGOSA-N 452.305 2.702 50 10 JFGE CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464016 QQDDFYXUIVRHCS-MFKUBSTISA-N 450.564 2.921 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 104844506 LWSNCLTZZYHKSL-XUTLUUPISA-N 455.989 2.593 50 10 JFGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)c2=O)cc1 169921091 IBSJSJWETDOMRF-QFEZKATASA-N 451.479 2.695 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(C)s3)nnn2-c2nonc2N)cc1 254616742 CFCJMFFUQCIXCD-UHFFFAOYSA-N 454.541 2.967 50 10 JFGE Cn1cc(C(=O)NNC(=O)NCCCNC(=O)c2cccc(Br)c2)c2ccccc21 725859994 JJNXBERDJVAKSD-UHFFFAOYSA-N 472.343 2.705 50 10 JFGE Cc1c(C(=O)NNC(=O)c2cccc3cccnc23)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726163851 OIVBAWCBVRUTEB-UHFFFAOYSA-N 479.541 2.782 50 10 JFGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1084424385 RULXHNOIMAUVSP-UHFFFAOYSA-N 450.904 2.799 50 10 JFGE C=CCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 1628566502 ZLRLNAXHQMSNAG-UHFFFAOYSA-N 458.487 2.801 50 10 JFGE Br[C@@H]1C[C@H]1Cn1cnc(I)c1I 1877475171 VTCHTRXNKJULTE-CRCLSJGQSA-N 452.859 2.876 50 10 JFGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NCCOCCI)CC1 1904642342 JTFCSNIXOYJIPR-HSZRJFAPSA-N 460.378 2.935 50 10 JFGE C[C@H](Br)C12CCC(CC1)N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1947848885 POBQKXVZHKOXDX-CDJWAVJASA-N 455.374 2.783 50 10 JFGE CN1CCC[C@@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2007642953 GNLWPDMTRIMNKW-IONNQARKSA-N 451.149 2.608 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2046682543 ILORTTXZZKKNGE-TYILLQQXSA-N 475.380 2.694 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2108234209 MYMNZLZYPRRYTL-RFHZUNJHSA-N 487.391 2.836 50 10 JFGE O=C(c1cccc(F)c1I)N1CCN(CCCBr)CC1 2169925362 BSUCBMKUYCZWAL-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CCN2S(=O)(=O)N1CCC(Br)CC1 2197321222 GGJLCQWDMBJSQE-KBXCAEBGSA-N 466.442 2.860 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(F)cc1 217227085 QSDOHRKAGMAAGJ-YPKPFQOOSA-N 464.906 2.958 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 228994142 YCTRAXLWRQMRNO-UVWUGUAFSA-N 495.630 2.551 50 10 JFGE CC1(C)C[C@@H](Br)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703951027 OBIGAPCUSWIHMR-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE C[C@@H]1[C@H](Br)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704003898 UIURWCCOZAOOTC-CZUORRHYSA-N 457.390 2.886 50 10 JFGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1916333971 APXNTXUYOWWINX-GOSISDBHSA-N 464.971 2.759 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Br)CC1 2000540810 QODUGUCUHPQZJG-ACJLOTCBSA-N 461.353 2.590 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2106780557 ZVGSPGYDZRVKMM-CABCVRRESA-N 452.415 2.564 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2162203697 GMOFEOSGTYCACI-MOPGFXCFSA-N 456.450 2.935 50 10 JFGE O=c1[nH]c2ccc([C@@H](Br)c3cc(I)sn3)cc2[nH]c1=O 2176537641 JDUYOMOUVIJGJE-SNVBAGLBSA-N 464.082 2.762 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCl)CC(F)(F)C1 2266914469 XQCACQAHPVCQOU-INIZCTEOSA-N 452.882 2.585 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2268642523 GQHXERHICTUADN-WNSKOXEYSA-N 491.328 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(CCOCCI)C2)C1 2306799378 NDZFSVBTARBRBZ-KRWDZBQOSA-N 454.349 2.540 50 10 JFGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40587672 HYJWUWMINUZELP-UHFFFAOYSA-N 454.355 2.629 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=C3CCCc4ccccc43)nnn2-c2nonc2N)cc1 254737623 LGRXBLVNSXBUMO-UHFFFAOYSA-N 458.482 2.769 50 10 JFGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1 727492740 XYFYIFAJPNKPGG-UHFFFAOYSA-N 494.639 2.739 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@H](C)c3nc(C)cs3)c2)cc1 727942383 IIYZVTSRFBBZLC-CQSZACIVSA-N 489.579 2.966 50 10 JFGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)c(Br)cc1F 728506496 SMKKUOZVTABOBA-UHFFFAOYSA-N 482.287 2.546 50 10 JFGE C#CCN(CC)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1625502522 ZYCBBWCJPDPCRZ-WJDWOHSUSA-N 454.328 2.577 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729142 GTWZMIGURWJXOC-UHFFFAOYSA-N 475.347 2.585 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1[N+](=O)[O-] 1860770185 XDZMGJOQFSERHB-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE CSCC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(SC#N)cc1 1866928754 GVUVJUWOFXDYSL-WMLDXEAASA-N 455.627 2.651 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)NCc1sc(Cl)cc1B(O)O)Cc1ccccc1 1902973462 QDWBFVKDTCEFNU-UHFFFAOYSA-N 452.769 2.525 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1CCC(CBr)CC1 1922700613 GOPAAUVEKJWPML-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE CN(C)[S@](=O)(=NC[C@@H](Br)C(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2106781904 LYLCRSPIVWDEKX-RPHGYIDUSA-N 467.352 2.725 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCCC[C@H]1CBr)C2 2179819236 JWLKDJUQVRSEPK-HSALFYBXSA-N 456.450 2.935 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCC(CI)CC1 2218987389 KFWQJPYIRBXEFM-UHFFFAOYSA-N 465.176 2.882 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2256637187 SEAWLGINBXKENC-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE COCCN(C[C@@H](C)Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2259724330 JNHKXNSOGBNPAJ-OAHLLOKOSA-N 475.405 2.515 50 10 JFGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)c1ccccc1I 2313499122 NTFXDBJYESNIIF-UHFFFAOYSA-N 457.318 2.702 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 2318468282 LWUMNZWWNQTWES-UHFFFAOYSA-N 458.971 2.679 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1COC[C@@H]1Br 2338844030 XQIAVIADQORPTF-YJBOKZPZSA-N 487.416 2.562 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc1Br 13981143 UTHYTRAKQYHLFS-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 21204370 OBUAPADODMDGOS-LJQANCHMSA-N 494.013 2.632 50 10 JFGE COc1ccc(NC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 59597179 BQTLLDWNHYWGNV-AWQFTUOYSA-N 499.261 2.927 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)cc1 100449610 NTJAZVUXTDVAOE-UHFFFAOYSA-N 482.274 2.698 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110021 IECBKVNCBNVRIX-QRVIBDJDSA-N 492.399 2.935 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254490914 JSBKRUKTLYVVRZ-FSOQTDKFSA-N 488.456 2.979 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 725382076 LHSGTKYJMRJYIO-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)Cc1ccc([N+](=O)[O-])cc1 1083888485 CVUMZDGRKWEHIM-UHFFFAOYSA-N 467.398 2.907 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=O)c1cc2ccccc2oc1=O 1860771470 XWTZZISFVLHZLB-UHFFFAOYSA-N 472.482 2.693 50 10 JFGE CN1CCN(c2ncc(I)cc2Br)[C@H](CBr)C1 2015762282 JCYNXYKMCAFOST-SECBINFHSA-N 474.966 2.964 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2089707368 NBKXWLCJZFDGTG-OAHLLOKOSA-N 487.416 2.657 50 10 JFGE Cc1cc(B(O)O)c(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248894438 IFBUTVJLIZPMLK-UHFFFAOYSA-N 478.379 2.670 50 10 JFGE COc1ccc(OC)c(NC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OC)c2)c1 2295347949 XGXOSBVEAAOXRX-UHFFFAOYSA-N 467.522 2.969 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 2313617245 SZPGEEKDLJGETB-UHFFFAOYSA-N 464.887 2.614 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2364008490 WKCHQLJBAGJZDF-KRTXAFLBSA-N 471.975 2.571 50 10 JFGE Cc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1Br 14011518 UOXABASZJJWNNP-UHFFFAOYSA-N 492.395 2.959 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2cc(F)ccc2Br)cc1 1570381919 XAZJBEZURJMVJZ-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744406 DAOQRGJCVJDNHL-UHFFFAOYSA-N 465.422 2.634 50 10 JFGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1868144551 JAXSTTBYCKYEEA-UHFFFAOYSA-N 463.563 2.687 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)CC1 2046031552 GBPGPVYBWTWSRP-LIRRHRJNSA-N 475.380 2.838 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2046459451 DTVRZYJNPZQKIC-CRAIPNDOSA-N 473.364 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC(CBr)C2)C1 2066484615 CGPFCIOVHYBBJO-UHFFFAOYSA-N 469.401 2.890 50 10 JFGE O=C(N[C@H]1CC12CC(NS(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2086048253 UNLDVRPSOOTCEQ-HFCFLWKCSA-N 472.405 2.528 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2106777297 RIEWAEAKGJIVEA-ZJWNCGCPSA-N 451.438 2.907 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162601209 LBQIPDRYJFWLSS-OAHLLOKOSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2163050046 GKRQHPKIRLVGBK-FVQBIDKESA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163050489 KFKJBZGZUYJAND-SFHVURJKSA-N 466.442 2.814 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2248396607 BNCFNTZJTIDPJM-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE CN1CCN(C(=O)c2c(F)cccc2I)[C@@H](CCBr)C1 2282804196 BLQDVTWPQNDDST-JTQLQIEISA-N 455.109 2.972 50 10 JFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C(C)(C)C 13988367 YAHZTNKBKCIRDZ-UHFFFAOYSA-N 481.210 2.967 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 14655707 SEHKOTHVYSCQKR-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 20533945 ZWGPPJDZCLEVMG-YDZHTSKRSA-N 465.422 2.962 50 10 JFGE O=C(COCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1 32593009 FVHCHHKBPWHFSU-CHQRTDLRSA-N 496.159 2.829 50 10 JFGE O=C(CSc1nnc(N2CCN(C(=O)CCCBr)CC2)s1)NC1CCCC1 49369073 OISASSXSJISPEY-UHFFFAOYSA-N 476.466 2.513 50 10 JFGE COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(Cl)Cl)cc2)CC1 105323695 MQAFNIWSZQTFFY-UHFFFAOYSA-N 458.367 2.948 50 10 JFGE COc1cc(C=NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)cc(OC)c1O 252588377 ABPBPWXVNXPPBB-UHFFFAOYSA-N 494.258 2.682 50 10 JFGE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)C1 912619395 HBLXRKLAGLBBQS-XXDRYFEKSA-N 485.581 2.924 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1 1084536863 HKKPZWWLTWYQOM-UHFFFAOYSA-N 474.517 2.869 50 10 JFGE C/C(=C/C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1C(F)(F)F 1546249700 MNYILTLRJOTAIW-BENRWUELSA-N 455.296 2.935 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)c(F)c(F)c3)CC2)c1 1623425320 OTCCDXPBZPIGLC-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866924609 WNEVGFGXQIYPEU-LAUBAEHRSA-N 487.603 2.846 50 10 JFGE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1C 1887519288 ZUZCYLSMARQGCN-UHFFFAOYSA-N 480.373 2.723 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CCBr)C1 2021786245 UMNFRXUFDPMYGY-HDJSIYSDSA-N 457.390 2.792 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](F)(CBr)C1 2046022353 JNJCCDZRZLDRSV-MSOLQXFVSA-N 479.343 2.540 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2138979512 SCTXYXVGUAZCDU-CQSZACIVSA-N 454.431 2.858 50 10 JFGE O=S(=O)(Nc1ccc(Br)cc1I)N1CC(Cl)C1 2246903282 BCCUEXKOHWCWLD-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2257375763 YESZXJYGBGWFCI-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2301661948 LDAFSVBKDXIWED-DEOSSOPVSA-N 458.323 2.931 50 10 JFGE NNC(=O)c1csc(COc2cc(Br)cc(I)c2)n1 2338717746 QJZAMVPEDYATKH-UHFFFAOYSA-N 454.087 2.693 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 13976613 BSJWPRHAOPEWGL-YRNVUSSQSA-N 454.552 2.766 50 10 JFGE COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1OC 103127167 YFRHLOCFUVXWHL-DTQAZKPQSA-N 487.896 2.857 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 254705007 XFHVPFTTZVAMKH-UHFFFAOYSA-N 475.513 2.518 50 10 JFGE O=C(NC[C@]1(CBr)CCCOC1)c1cc(I)ccc1O 700910229 CFUPRKQCEBIUPL-CQSZACIVSA-N 454.102 2.918 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCBr 703947733 PUABDBIQEMQIAN-WMLDXEAASA-N 457.390 2.888 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)NCc1ccccc1 1084554311 OGFSGJLDYHSZJL-UHFFFAOYSA-N 458.518 2.538 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(C(C)(C)C)nn3)CC2)cc1 1457635369 VWNMTXYIXZQDJW-UHFFFAOYSA-N 459.572 2.521 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](I)C1 1900970743 OZYNHZDIGSWUEW-RXMQYKEDSA-N 462.911 2.595 50 10 JFGE NNC(=O)C(F)(F)COc1c(Br)cc(Br)cc1Br 2027849546 PVKQZHSRBGVQLZ-UHFFFAOYSA-N 452.875 2.978 50 10 JFGE COc1ccc(C)cc1C=CC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 2042447924 IYLPRLHJOTYQPG-UHFFFAOYSA-N 479.558 2.957 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCI)C1 2044704611 DZDXBLWLGSKEFH-CABCVRRESA-N 465.376 2.649 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2046030427 YHZWLMNFSIQUIM-HNAYVOBHSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2055499958 QLAMUSGBDRGKAC-MEBBXXQBSA-N 489.285 2.646 50 10 JFGE CCCN1CC[C@H]([C@@H](Br)c2cc(I)sn2)S1(=O)=O 2056497451 SHGVGWXSFYKNNW-SCZZXKLOSA-N 465.176 2.998 50 10 JFGE C[P@@]1(=O)C[C@H](NC(=O)c2ccc(I)c(O)c2)[C@@H](Br)C1 2121336404 GLJHGJSRIREEJC-UFHPCEOVSA-N 458.030 2.865 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)c1 13978758 ZWZVGMLZGBVVCW-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2C1=O 207426371 CXAXMWVIGJHKCQ-XMCSSRMMSA-N 484.468 2.737 50 10 JFGE Cc1ccc(C=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 252460346 DRUWEAMCEOPMFZ-QFIPXVFZSA-N 484.472 2.761 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)Cc2cccnc2)c(-c2ccc(Cl)cc2)n1 728850831 BQDDJEBJWUTFAE-PDGQHHTCSA-N 459.897 2.809 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc([N+](=O)[O-])c1)c1ccc2c3c(cccc13)CC2 1084229037 GHQGBMBYAZJJMJ-UHFFFAOYSA-N 452.492 2.763 50 10 JFGE C[C@H](C(=O)NNC(=O)Cc1cn(C)c2ccccc12)n1cnc2sc3c(c2c1=O)CCCC3 1865851953 LHEIICHQSPSUQY-CQSZACIVSA-N 463.563 2.780 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC=C[C@@H]1CBr 2011252820 XDSFUYJSENSKAT-OAHLLOKOSA-N 455.374 2.808 50 10 JFGE C[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 2046023257 QUNXYKILRAIUQF-CFNLKKDLSA-N 475.380 2.692 50 10 JFGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1nn(C)cc1Br 2080419041 UCLKCJUFTCRCAA-QFWMXSHPSA-N 455.090 2.771 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CCl)CCC[C@]2(F)C1 2176634648 DZYBKXKFZDLXCF-UFYCRDLUSA-N 460.930 2.774 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2248408220 QDXOWUKNXPATHR-DEOSSOPVSA-N 458.323 2.868 50 10 JFGE CCCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 254349469 QCAYDJHJRYDHSE-UHFFFAOYSA-N 452.500 2.904 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]1(C)CBr 722981144 SRCNHQSEGGZSJW-LJQANCHMSA-N 457.390 2.888 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(Cl)cc2)n1 914453486 GJTQULVSVITNCP-ADFUCPMPSA-N 457.943 2.575 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1950518488 BODOINCTFITIDJ-CABCVRRESA-N 457.390 2.888 50 10 JFGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106300944 GEGCKROEQRANAI-UHOSZYNNSA-N 486.432 2.870 50 10 JFGE N#Cc1cc(I)c(OCCOCCI)c([N+](=O)[O-])c1 2351669118 FWTNDVODYMZGBO-UHFFFAOYSA-N 488.019 2.901 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@](C)(CBr)C1 2364032590 VQPOZFGVZUFVNV-GFCCVEGCSA-N 473.991 2.819 50 10 JFGE COc1ccc(CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 12503618 AWWWWZOWQNPCPS-UHFFFAOYSA-N 483.377 2.985 50 10 JFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)Cc1ccccc1 40795059 QWJWQLXNSQAWHB-UHFFFAOYSA-N 476.324 2.574 50 10 JFGE CCOc1ccc(/C=N\NC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc1[N+](=O)[O-] 169920991 VXFWNZXVMZETPH-OYKKKHCWSA-N 450.451 2.976 50 10 JFGE COC(=O)[C@@H](Br)CNC(=O)c1cc(Br)ccc1I 234548740 GWPCPOIBOFMWKW-QMMMGPOBSA-N 490.917 2.720 50 10 JFGE COc1cc(C(=O)N[C@@H](C(=O)NN=Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 254301774 GEWZKBOUYHOETR-OAQYLSRUSA-N 456.543 2.683 50 10 JFGE COc1ccc(NC(=S)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1F 727498302 IDTFZVHLFNWFFR-UHFFFAOYSA-N 495.330 2.601 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(C)C[C@@H]3Br)CC2)cc1 1131375201 IYZNCMRZRRQDKX-HKUYNNGSSA-N 457.390 2.580 50 10 JFGE COCc1nc(OC)c2c(C)c(C(=O)NNC(=O)c3ccc(Br)cc3)sc2n1 1321858380 QNJLHNKEHDBPCI-UHFFFAOYSA-N 465.329 2.992 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccccc1Br 1860771308 PYNWLHQOFLUMHJ-UHFFFAOYSA-N 461.341 2.561 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1 1865760385 VENJOZKLGMUWHF-UHFFFAOYSA-N 472.501 2.903 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 2046028712 KQENXEQVNRJHSZ-KSMMKXTCSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2106979558 JHQDJJGQLLPENO-SWLSCSKDSA-N 452.882 2.742 50 10 JFGE C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2108186047 OHCMLCQQCVJKIQ-ZIAGYGMSSA-N 454.431 2.810 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C2(CCOCC2)C1 2174374481 AIDJUYYEUIXTRU-SFHVURJKSA-N 499.427 2.659 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 2179817189 WASCGSBBJAJAMD-QFBILLFUSA-N 453.406 2.756 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508877 OZVDODRIHUEZBM-ROUUACIJSA-N 455.374 2.839 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CBr)C1 2222899827 OZBMRXSTHNMFRB-YWZLYKJASA-N 469.401 2.890 50 10 JFGE O=C(N[C@H]1C(F)(F)C12CC(NS(=O)(=O)N1CCC(Cl)CC1)C2)OCc1ccccc1 2240603261 FANBTDJGWVLQJI-UPTPFMHGSA-N 463.934 2.617 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 2313616987 KJVXBYHGKFUYOC-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2319743031 CTNCIWRPQYAFAJ-HOTGVXAUSA-N 469.401 2.746 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 14020659 HEGNCOBJARFKJY-UHFFFAOYSA-N 499.330 2.648 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc([N+](=O)[O-])c1OC 169919982 NBPSGGLYQOQELU-CFRMEGHHSA-N 450.451 2.894 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 742401281 BJVNQQKRCWONMM-BWCLHNGZSA-N 478.597 2.578 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)c1ccccc1O 1772718721 MSHDSWOUUATAEI-NRNHFWIGSA-N 483.502 2.668 50 10 JFGE O=C1c2cc(I)ccc2S(=O)(=O)N1CC1CC(Br)C1 1887837789 YWEXJAOFVZEONU-UHFFFAOYSA-N 456.099 2.609 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCBr)CC1 2046022986 OJPDDUOVTRETND-LJQANCHMSA-N 475.380 2.838 50 10 JFGE C[C@@H]1CC[C@@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048064833 XLBYDRKXPYZZAY-BIENJYKASA-N 475.380 2.836 50 10 JFGE CN([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2106775020 SWRLRMANQGDQIX-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)CN1S(=O)(=O)N1CCC(Br)CC1 2106777692 VYSWEUSGMYCGHS-KGLIPLIRSA-N 454.431 2.668 50 10 JFGE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)CCC(CCl)CCl)CC1 2106778449 DGAXBAKPKVFDGU-UHFFFAOYSA-N 451.438 2.955 50 10 JFGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC(F)(F)C1)N1CCC(Br)CC1 2127806357 PAGDJKDPAAIDTG-MRXNPFEDSA-N 452.365 2.590 50 10 JFGE Cc1sc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2283981419 MFGVERSCPKQHKT-HRAATJIYSA-N 490.431 2.502 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)C(=Cc3ccccc3Cl)SC2=S)cc1 2295927465 QJXICOFUMIYITC-UHFFFAOYSA-N 482.008 2.859 50 10 JFGE Cn1c(=O)c2c(nc(Oc3cccc(C=C(C#N)c4nc5ccccc5[nH]4)c3)n2C)n(C)c1=O 2297326954 LLAPPFVRCGDZFN-UHFFFAOYSA-N 453.462 2.703 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 12581365 OSPBKKVMGMWJHM-UHFFFAOYSA-N 461.283 2.630 50 10 JFGE COc1cc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc(Br)c1O 39715794 OTXAZHJEGZTMCT-AWQFTUOYSA-N 452.330 2.985 50 10 JFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc(OC)c1OC 254483292 BMDBWUDTBBAGMG-UHFFFAOYSA-N 497.529 2.873 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 1124109862 NMWWDBSBSFYLPG-LBPRGKRZSA-N 453.264 2.785 50 10 JFGE C#Cc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 1540315003 OKOSQCBELJISOC-UHFFFAOYSA-N 454.895 2.592 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866805087 CNHKFCKENXENNH-AWEZNQCLSA-N 474.564 2.525 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942090044 SWUWUJRRDAKCRR-WMLDXEAASA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 1948553394 DEPYCKMWJDGGAT-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE C[C@H]1C[C@@H]1N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002033887 BGBLZADMUOXYEC-BBRMVZONSA-N 457.390 2.744 50 10 JFGE CN([C@H](CBr)Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2264201896 MCDGXAPACAHDNL-INIZCTEOSA-N 465.369 2.550 50 10 JFGE COc1cc(C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2296295097 OMSLAXZEYZGULW-GOSISDBHSA-N 472.563 2.899 50 10 JFGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2314436811 IDYXMOWBBXMMNL-IBGZPJMESA-N 492.557 2.622 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 2314792926 IQXPFGWOEMOTSU-UHFFFAOYSA-N 451.435 2.897 50 10 JFGE O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047250 KNGNCRFKPMSEJS-VXLYETTFSA-N 482.234 2.774 50 10 JFGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)CSCc2ccc(Cl)cc2)c2ccccc21 59165392 ABPAFARUYYEFEE-YYADALCUSA-N 458.971 2.967 50 10 JFGE O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254591779 BGTXXLQSIGDUHY-ZSKIXMJJSA-N 474.429 2.950 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)ccc2O)sc2c1CC[C@H](C)C2 254765490 RHDBYWOCEUBWLH-LBPRGKRZSA-N 459.524 2.853 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 1084115590 AYJBEKANSSGBGF-UHFFFAOYSA-N 482.518 2.945 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1)NNC(=O)c1ccc(F)cc1 1084575097 JBCYHZVHCBJHME-UHFFFAOYSA-N 492.334 2.706 50 10 JFGE C#CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1230567015 ZHUUTTCYVCPYPM-OAQYLSRUSA-N 454.552 2.570 50 10 JFGE CC(=O)N(CCC(=O)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)Cc1ccccc1 1306608124 YBIRYCYNUGHVHU-UHFFFAOYSA-N 458.444 2.861 50 10 JFGE C[C@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099958 YIZVWPUSUHSGLY-LJQANCHMSA-N 457.390 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CC1 1942316005 QVFTZQYRWAVGQC-CQSZACIVSA-N 457.390 2.649 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CCBr)C1CC1 1942809954 IESFXOBOCBPRPB-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(I)CC1 1992342079 SFTQYEBWVJRLRS-UHFFFAOYSA-N 490.363 2.538 50 10 JFGE O=S(=O)(c1ccsc1CBr)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2123284806 SJOQMPDYHSBFQH-JKSUJKDBSA-N 457.415 2.917 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2182068848 JLESKLZVUAEPIA-SFHVURJKSA-N 466.442 2.956 50 10 JFGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2219171182 OJKQZXYQMJYYFA-KUHUBIRLSA-N 475.380 2.836 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2257373989 PMFCGCGVLDMJFA-UHFFFAOYSA-N 470.334 2.573 50 10 JFGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 2297318643 QXNSHMPLCYDLEL-INIZCTEOSA-N 498.948 2.659 50 10 JFGE COc1cc(C=C(C#N)C(N)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2297331685 FCKKXCYQLIHNRR-UHFFFAOYSA-N 498.298 2.768 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 2297416904 XHSRWIUILVMKMS-UHFFFAOYSA-N 464.522 2.967 50 10 JFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811846 OPPFQRNCQHPKGF-ZXVVBBHZSA-N 456.518 2.650 50 10 JFGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 254488824 KHHVOJCYUAFSPB-UHFFFAOYSA-N 457.328 2.992 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(F)cc1 1084373269 ZYHGPYPQFKSXAJ-UHFFFAOYSA-N 480.334 2.958 50 10 JFGE NCCSSCCNS(=O)(=O)c1cc(Br)ccc1Br 1238658068 CMGULFOKYOMYLO-UHFFFAOYSA-N 450.243 2.830 50 10 JFGE CN(C)c1ccc(N2/C(=N\C=C(\C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1615097423 PCQLHOUVUJEOFE-UDWHHWENSA-N 481.603 2.874 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@H]1CBr 2011265646 FPTHMFIMFGIYJS-AWEZNQCLSA-N 455.374 2.664 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2014966327 NPVYQLXLJXTUKB-NRXGSXMXSA-N 455.374 2.546 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@@H]2Br 2028287742 IKXIXYWYONODLL-CPUCHLNUSA-N 469.401 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2222303908 YIBZEHZRIXRXPG-GJZVTGKDSA-N 473.364 2.731 50 10 JFGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)c2cccnc2)cc1 2313682481 DCYQAFQDSJYLIG-UHFFFAOYSA-N 472.461 2.958 50 10 JFGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 2325903345 CHCZLXNHERARPA-NEPJUHHUSA-N 485.522 2.917 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](OCCCl)C1 2364213006 CPNPREIMDKYSTR-QGZVFWFLSA-N 456.992 2.893 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 9821958 PKQVXZBXBMOGNI-UHFFFAOYSA-N 496.383 2.579 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OC 9973058 CVXQGIBLTFAPSL-WUXMJOGZSA-N 470.551 2.647 50 10 JFGE CCc1cccc(C)c1NC(=S)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 16782577 HCRCRGPGWUIIQT-UHFFFAOYSA-N 460.625 2.976 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924296838 MXLZSZKIHCMJBF-IIBYNOLFSA-N 499.427 2.801 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CCBr 1942935716 ZFAKKVVAIRDTPY-PBHICJAKSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CCC[C@@H](Br)[C@H]1CC2 1948488880 KPMQHUSIDQJFGF-IAOVAPTHSA-N 455.374 2.783 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2022845585 JASRFJTZXITDJP-FQEVSTJZSA-N 479.665 2.628 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCCC[C@@H]1Br 2046030355 XMXWVRYPJZUSDU-AXHNFQJDSA-N 475.380 2.884 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2179871395 ZVTWTPYXCOLWDV-LJQANCHMSA-N 453.406 2.981 50 10 JFGE C=C[C@]1(CBr)COCCN1C(=O)c1ccc(I)c(O)c1 2199848097 IZYYLMZBHQDSLV-AWEZNQCLSA-N 452.086 2.789 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CCl)C1 2364190558 OFDBHBDSCPHLHB-GHTZIAJQSA-N 454.976 2.503 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)c(Br)c1 13976196 JEPNXMGEDPAMAQ-UHFFFAOYSA-N 480.384 2.854 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br 14003217 ORLQOMUQZWRFMA-UHFFFAOYSA-N 456.749 2.989 50 10 JFGE O=C(CNC(=O)c1ccccc1Cl)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100389708 SIOCXEAXOQLFME-BYNJWEBRSA-N 490.903 2.866 50 10 JFGE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)c2cccc3cccnc23)c1 728506231 GPWHRVZMTCPBCG-UHFFFAOYSA-N 478.324 2.797 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 730935985 HBIOIZMARBADGG-TYJAPOHBSA-N 462.554 2.846 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CCBr 2046026761 UXMUGAUCMKTDAX-UGSOOPFHSA-N 493.420 2.543 50 10 JFGE Cn1ncc(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)c1Br 2173258010 NXFSCMBTNQOMRZ-JTQLQIEISA-N 493.059 2.936 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2243685390 TXYDZKFFHFZYFU-CQSZACIVSA-N 464.714 2.886 50 10 JFGE O=S(=O)(Nc1cc(I)ccc1Br)N1CC(Cl)C1 2246896446 BDAUILXNBLUXKB-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2248396901 GIDGJSJIFIILDI-HOTGVXAUSA-N 478.379 2.875 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2317670474 DOANZEAXLNZBSJ-DEOSSOPVSA-N 470.334 2.573 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 13979093 OUVJXXWXNSVICN-UHFFFAOYSA-N 456.568 2.948 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1CCBr 703947731 PUABDBIQEMQIAN-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=S)NC(C)(C)C)cc2)cc1 726138195 ZELPNBJXXCBYLJ-UHFFFAOYSA-N 494.639 2.583 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1cccc2ncccc12 1318620574 DZAPZLHEKITZAM-UHFFFAOYSA-N 451.284 2.961 50 10 JFGE C=CCNC(=S)NNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1624253322 IJLVIBINLQYCIZ-UHFFFAOYSA-N 459.984 2.682 50 10 JFGE C=C(C)COc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1666768250 GGNQBBZZLYTAIX-UHFFFAOYSA-N 458.540 2.893 50 10 JFGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCCCN3CCOCC3)c(C)c21 1772746661 ZDDHNSAKNXLNEG-UHFFFAOYSA-N 468.554 2.519 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865852214 PCYVSDANAQPDHD-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C1CCC1 1942099194 SELCRYXTEKNSHD-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(C)CCC[C@H]1Br 2011550555 AZJYXBYFNLOAMW-JLSDUUJJSA-N 461.353 2.636 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106301862 JUWWWBLKTCKGFH-CQSZACIVSA-N 454.431 2.716 50 10 JFGE C[C@H]1CN(Cc2ccccc2)CCCN1S(=O)(=O)c1cnn(CCCBr)c1 2179787005 IMIJNJITXSSJHD-KRWDZBQOSA-N 455.422 2.953 50 10 JFGE C=CCC1(CBr)CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 2250463230 JPKMSAMGIAJMSZ-UHFFFAOYSA-N 455.374 2.666 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2257378916 HWPWNQLMVYCSQY-QFIPXVFZSA-N 473.338 2.653 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CC2(CBr)CC(F)C2)C1 2280358694 GJKXWXXXSWUKNU-XUJQIHCRSA-N 451.377 2.838 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccs2)c(Br)c1 2313620187 UWSLHFIZSFBTLE-UHFFFAOYSA-N 454.371 2.933 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1COC(C)(C)[C@@H]1Br 2338690066 CBLDFPFCUXYASK-SVGQVSJJSA-N 459.964 2.616 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCC[C@@H]21 2341947479 HGUYUBMCYDKOOX-LSDHHAIUSA-N 452.415 2.564 50 10 JFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCc2ccccc2)ccc1Br 12573383 DLUFCEZGINBVFP-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 13982097 PQELMRBLGSGAQH-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)CC1 33676121 UBUSLNHMVYQJEJ-RGEXLXHISA-N 489.532 2.599 50 10 JFGE N#C/C(=C/NCCc1ccccc1Br)C(=O)Nc1cccc(S(=O)(=O)O)c1 216962018 PEZKISGQZSFWNT-OWBHPGMISA-N 450.314 2.874 50 10 JFGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 228971253 LYMBHAGMRVKOLS-AJOUPAOOSA-N 464.547 2.955 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccco1 1083895647 SIRCAKMOWUURPK-UHFFFAOYSA-N 454.870 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C(F)(F)F 1942842047 MEIOVWOACVBLKC-CYBMUJFWSA-N 471.295 2.698 50 10 JFGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546287 ZFFRQSVOJWKASR-WBHUJUFNSA-N 463.369 2.740 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C(F)(F)F 2046022193 ICTNEAMLADVSTP-BONVTDFDSA-N 489.285 2.504 50 10 JFGE C[C@]1(CBr)COCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2135098858 YNGYYUCOMRYNFX-HXUWFJFHSA-N 487.416 2.516 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2163050558 KUXYWTHPWXKGNB-HDICACEKSA-N 466.442 2.669 50 10 JFGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(C=C(C#N)C(=O)N4CCOCC4)cc3OC)cc2c1 2314795975 KCZLNZZLKDVPSK-UHFFFAOYSA-N 490.468 2.795 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2320267244 CTNCIWRPQYAFAJ-MUJYYYPQSA-N 469.401 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2320949503 DHYIRLMXZPKNGL-KBPBESRZSA-N 483.306 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCc1nnc(CCl)s1 2338849688 KUFSZXFXQICFHW-UHFFFAOYSA-N 456.977 2.553 50 10 JFGE CO[C@@H](C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1 3669161 JHCOQAJOPKVREV-MRXNPFEDSA-N 490.335 2.579 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1I 12502954 YMYKJXLUNDMUKF-UHFFFAOYSA-N 489.722 2.903 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C/c2cnc3c(c2)c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 96402564 FBXSOGCXYLMJBM-QJKHOBJASA-N 451.508 2.654 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 727560015 GBFSPAPXISJHDG-UHFFFAOYSA-N 486.956 2.608 50 10 JFGE C[C@H]1COCCN1CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 729385441 GIIQXNRAWVPOEN-AMRJIULGSA-N 452.946 2.861 50 10 JFGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084028671 FREBJNYMJDIXQI-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1 1084136308 AZRBVXZWZVXRNO-UHFFFAOYSA-N 488.544 2.912 50 10 JFGE C[C@@H](Sc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)C(=O)NNC(=O)C1CCC1 1084621955 DNCCKIUTBZIOGJ-MRVPVSSYSA-N 472.358 2.691 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)CCc2ccc(OC)cc2)nnc1-c1ccco1 1355705163 NXWKHSBOHXYSHG-UHFFFAOYSA-N 455.540 2.995 50 10 JFGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1520934884 GMWOMNYAPKTCAM-PZHBDVNGSA-N 451.548 2.659 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2042541500 AXTZGCCECCAIEI-DLTLXFJOSA-N 469.401 2.790 50 10 JFGE CN(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@H]1Br 2089924283 UQKLAAKFSZQBFA-HTRCEHHLSA-N 452.621 2.862 50 10 JFGE CC(C)[C@@H](C)[C@H](CNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106296992 CYULFORXKOBWJS-HIFRSBDPSA-N 456.447 2.866 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@@H]2COC3(CCC3)CO2)C1 2301367874 HUDKBTSDBZJSKG-HZSPNIEDSA-N 453.317 2.764 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H](CBr)[C@H]2C[C@@H]12 2309226256 SVLOODURVWYFMY-PILAGYSTSA-N 469.401 2.792 50 10 JFGE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)c1ccccc1Br 2313682729 JLQXUOOHZDTBJV-UHFFFAOYSA-N 471.311 2.923 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1C[C@H](Br)CCO1 2338863663 MPUGAZONYPMXLE-RNFRBKRXSA-N 459.964 2.617 50 10 JFGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](CCBr)O1 2364017689 MSEUYTKDXHRVKT-HTQZYQBOSA-N 473.991 2.960 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629858 IDOQRXKFFBTUBF-NWDGAFQWSA-N 484.734 2.659 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13977955 GGNQETWYWXRBJJ-UHFFFAOYSA-N 473.623 2.759 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)Cc1ccccc1 13979229 VSGHJGOASRRFER-UHFFFAOYSA-N 456.749 2.746 50 10 JFGE C[C@@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59165413 WVTZWTFGQITBHM-LCGZTXIASA-N 499.552 2.726 50 10 JFGE CN1CCN(S(=O)(=O)c2ccc3nc(NC(=O)/C(C#N)=C/c4ccccc4)sc3c2)CC1 170530938 UISHIYDWEJRQGO-GHRIWEEISA-N 467.576 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCBr)Cc1ccccc1 703957654 GXLAEJUEISZCOR-UHFFFAOYSA-N 451.342 2.510 50 10 JFGE COc1cc(/C=C\C(=O)NN)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084085608 JDVAHPNCDRXBCN-DAXSKMNVSA-N 469.235 2.790 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C 1151653186 YFQRKNZBVAPQLY-INIZCTEOSA-N 452.577 2.513 50 10 JFGE C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1632485584 WOLRGZDBVJMBLZ-LGMDPLHJSA-N 457.943 2.741 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)C1 1872963138 ZJAHRFRGPCIKBM-HZPDHXFCSA-N 491.470 2.715 50 10 JFGE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)C[C@H]1C[C@H](Br)C1 1910163827 GVOJKBJICZRGCW-KKUMJFAQSA-N 462.362 2.733 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](Br)C1 2003409964 LRTTYSAXXMQRER-SCLBCKFNSA-N 461.353 2.590 50 10 JFGE CC(C)(C)[C@]1(O[Si](C)(C)C)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@@H](O[Si](C)(C)C)[C@]231 2060394440 JOLOPTLRBSAWFO-KUKGURNSSA-N 470.667 2.975 50 10 JFGE O=S(=O)(c1ccc(CBr)s1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2123238908 YSGUVDMRZZDBOY-DLBZAZTESA-N 457.415 2.917 50 10 JFGE CN([C@H](CBr)CC1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2219171181 OJKQZXYQMJYYFA-IFXJQAMLSA-N 475.380 2.836 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCO[C@@]2(CBr)C1 2239902941 JREOXCIJARYOMR-HZMBPMFUSA-N 452.086 2.623 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@@H]1CBr 2301114357 YZQTYGRGKNSZON-PBHICJAKSA-N 457.390 2.936 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1OC 2313619946 CIEJGYRIPLUHDO-UHFFFAOYSA-N 463.943 2.780 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1Br 2313860784 OVGJGUXGBJFLNA-UHFFFAOYSA-N 479.312 2.715 50 10 JFGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)cc2C1=O 8911043 CXAXMWVIGJHKCQ-LEHPZIBWSA-N 484.468 2.737 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc21 15092758 OPQPLRONCYQHJH-UHFFFAOYSA-N 454.552 2.818 50 10 JFGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 33390625 GNSFFZYDZMWOCN-KHPPLWFESA-N 454.552 2.766 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 728211776 GKYSNESUTGXTGE-UHFFFAOYSA-N 485.610 2.534 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 731116920 DJVHWEXYQCAIFQ-NRFANRHFSA-N 465.598 2.826 50 10 JFGE C#Cc1ccc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 1564787267 LHKGQOUUMBQZRN-UHFFFAOYSA-N 451.486 2.570 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)cc1 1670662497 DUONADYYFISVET-AWEZNQCLSA-N 457.462 2.568 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770900 BHHWZMUDTZXOEL-DXHQHAPDSA-N 481.534 2.913 50 10 JFGE C[C@@H](C(=O)NNC(=O)COc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771741 GKXUQOIUOWTZFS-LBPRGKRZSA-N 460.943 2.778 50 10 JFGE Cc1nc(I)c(I)n1-c1c(CCl)cnn1C 1936399123 HJWWGGPSAGAHKH-UHFFFAOYSA-N 462.460 2.862 50 10 JFGE CC(C)(C)OC(=O)N1CCOc2ccc(NS(=O)(=O)CI)cc2C1 2007723906 SOXCDRRCXPYLCG-UHFFFAOYSA-N 468.313 2.950 50 10 JFGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022362 JODJVNRHYMAENK-TYILLQQXSA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128153151 CQUZGMSTLCBETF-YYQBIWNASA-N 487.391 2.979 50 10 JFGE COc1cc(C=CC(=O)NN)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2314019442 JDVAHPNCDRXBCN-UHFFFAOYSA-N 469.235 2.790 50 10 JFGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)ccc1Br 12573475 PCFMOTUJLPVHME-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1 33341617 DFYDBIYRMUJCNV-QRVIBDJDSA-N 462.344 2.819 50 10 JFGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 48571933 ZRKIAYDFTJOMSA-DNTJNYDQSA-N 486.653 2.733 50 10 JFGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)c1 101613105 XTWNYVDPIPBMFM-NHFJDJAPSA-N 490.516 2.907 50 10 JFGE CCOc1cc(C(=O)NCC(=O)NN=Cc2cc(OC)ccc2OC)cc(OCC)c1OCC 254578445 FWZHCESAXVJAJG-UHFFFAOYSA-N 473.526 2.780 50 10 JFGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc[nH]n2)c1 1166384105 GLRNZUZLPVYKOF-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771294 PNPQTCMSVRALHD-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1942096250 ACNDZJSYANJNIB-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)CC[C@@H]1C(F)(F)F 2007710392 UTSXXLYMVYZMFF-UWVGGRQHSA-N 486.294 2.734 50 10 JFGE CC(C)(C)[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025561 KBNYAZCRSRKDRA-DJJJIMSYSA-N 477.396 2.987 50 10 JFGE C[C@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106297967 IJENVDZJQUYCSC-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106300945 GEGCKROEQRANAI-WDSOQIARSA-N 486.432 2.870 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2162592368 TUOCRTRYEOPTSK-CQSZACIVSA-N 468.458 2.963 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867836 BCCHNVLSEIMBQK-ROUUACIJSA-N 455.374 2.839 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2OCCC[C@]2(CBr)C1 2230591284 DKDYNFSZWMGQLC-CABZTGNLSA-N 457.131 2.764 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@@H](CI)c2ccc(Br)cc2)C1 2285603987 XQGBUUUHKBKOGO-STQMWFEESA-N 474.158 2.976 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319281837 CRHCGBLDYLDQMH-UHFFFAOYSA-N 490.390 2.766 50 10 JFGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)c2=O)cc1 2323656127 FPYWATWRBKVTRE-UHFFFAOYSA-N 451.479 2.695 50 10 JFGE CCCOc1ccccc1C=CC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888187 DEUXPMPAXLZVBD-UHFFFAOYSA-N 466.563 2.986 50 10 JFGE C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842653 LIYZIYPNKJIDPW-HXUWFJFHSA-N 487.416 2.659 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@]1(CBr)CCCO1 2338851638 GIYBXEUYDAWHLI-FQEVSTJZSA-N 487.416 2.707 50 10 JFGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630098 VZOHXRFDJPKTBI-AWEZNQCLSA-N 478.343 2.740 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14029740 DPLSYNXDOGWXOR-UHFFFAOYSA-N 470.595 2.988 50 10 JFGE C[C@@H](Oc1ccc(/C=N/NC(=O)COc2ccccc2I)cc1)C(=O)O 59302468 MZFHRBVEJMTWLX-HMASQMOLSA-N 468.247 2.672 50 10 JFGE CC(=O)Nc1ccc(/C=C/c2ccc(SC#N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 97973571 KGOUOOHELBPZRB-NSCUHMNNSA-N 454.507 2.882 50 10 JFGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 725435936 RDGVMCNSHGRHAU-GOSISDBHSA-N 450.539 2.842 50 10 JFGE Cn1cc(C(=O)NNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 730577809 BETRDPNLHOKTBF-UHFFFAOYSA-N 468.989 2.988 50 10 JFGE C=CCOCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1540389664 XMLUJYFIZWEOBI-UHFFFAOYSA-N 451.932 2.885 50 10 JFGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)Cc1ccccc1 1772718977 ZDVROWMMNFLQBH-HXUWFJFHSA-N 494.573 2.952 50 10 JFGE CN1C[C@H](NC(=O)c2cc(Br)ccc2I)[C@H](Br)C1 2029864898 VOOZWTNKSGHDMH-KOLCDFICSA-N 487.961 2.861 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2057708045 LJQJYZUENAGBMR-JQQNFUDXSA-N 491.344 2.511 50 10 JFGE CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106773041 JLSVRWNLDAIOGE-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE CCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106777283 RGAUSBVPUSPZQF-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CN(Cc1ccccc1)CC1CCN(S(=O)(=O)c2cnn(CCBr)c2)CC1 2179817596 YKGRXXQGBLIJHO-UHFFFAOYSA-N 455.422 2.811 50 10 JFGE Cc1cc([C@@H](Br)CS(=O)(=O)N2CCOCC2)ccc1I 2207104422 GHTWPZSEONOICX-LBPRGKRZSA-N 474.158 2.698 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2CCO[C@@]2(CBr)C1 2239886573 RMTOMICEXRPYFL-DOMZBBRYSA-N 450.114 2.846 50 10 JFGE OB(O)c1cc(Nc2ccc(I)c(Br)c2)ncc1Cl 2277613360 XMNLOHHAICVSOH-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE CC(C)(C)OC(=O)N1CC(OC2CCN(CCOCCI)CC2)C1 2306803058 VBFFWMWIIFKJKJ-UHFFFAOYSA-N 454.349 2.538 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310100045 YNIGWTMGBGVHBN-UESRRSCYSA-N 473.364 2.588 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2cc1OC 2328799915 UGMPJPJVOUIUKP-KRWDZBQOSA-N 462.503 2.883 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623066 VBNVIJKESALXHA-AWEZNQCLSA-N 480.746 2.677 50 10 JFGE O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1 33932680 YTBWCFUTANFPRB-XNTDXEJSSA-N 491.392 2.897 50 10 JFGE CCCOc1c(I)cc(C2C(C#N)=C(N)NC(N)=C2C#N)cc1OCC 36611887 HIAOAJFLKUSZHF-UHFFFAOYSA-N 465.295 2.553 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206608457 VFZOIYNOBDTNRE-GHXNOFRVSA-N 455.496 2.682 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2133654309 IYHNOBQTGKHSGD-ZDUSSCGKSA-N 454.431 2.810 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2320271571 CTNCIWRPQYAFAJ-MUJYYYPQSA-N 469.401 2.746 50 10 JFGE Cn1nc(Br)c(Br)c1[C@@H](Br)CS(=O)(=O)N1CCCC1 2338706202 VFSWKQKPBDNUPG-ZETCQYMHSA-N 480.020 2.807 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658460 NYJJFHSQYLMXDO-UHFFFAOYSA-N 467.398 2.604 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/NC(=O)Cc1ccccc1 100844270 RDDUYFHASPJXFQ-JEPJVFCJSA-N 451.504 2.882 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 103638310 NYEAOJAAKAVJQG-GHRIWEEISA-N 461.590 2.596 50 10 JFGE CCOc1ccccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 1084156936 OUCWONAOVGHOEL-UHFFFAOYSA-N 454.892 2.563 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccccc3F)c(=O)c2c1-c1ccccc1 1860769718 FQBNNSBEWGFHOO-UHFFFAOYSA-N 450.495 2.963 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771977 NMRWKIWZXRCBIR-GJZGRUSLSA-N 484.578 2.769 50 10 JFGE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162591240 JDAGXGZTEIIFMM-OAGGEKHMSA-N 463.394 2.931 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@H]1CBr 2301112173 YZQTYGRGKNSZON-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CCOC(=O)C(F)(F)CCS(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2369477053 PONGSYDPBFBLIG-OAHLLOKOSA-N 472.348 2.865 50 10 JFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1 59879481 FACWQHCHIAWFBV-QOZVTFESSA-N 460.347 2.547 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 102855736 HYULWJGXYUFJMN-MTGKDYNDSA-N 462.531 2.758 50 10 JFGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102974860 NSAGGUGHVNFKTJ-UMFSFKPQSA-N 450.501 2.860 50 10 JFGE N#C/C(=C/NCCc1cccc(Br)c1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216962138 LELCTRAQMOKMTE-OWBHPGMISA-N 450.314 2.874 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CBr 703989308 HNCYSXITYDVRJA-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365418 RYUDKNDBFZJUDY-UHFFFAOYSA-N 476.581 2.710 50 10 JFGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)Cc3ccc4ccccc4c3)CC2)cc1 742939513 HNZLHTXATBPFCR-UHFFFAOYSA-N 461.566 2.544 50 10 JFGE C=CCOc1ccc(C=NNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 1084145614 SBDDILUHNUYEAC-KRWDZBQOSA-N 475.567 2.964 50 10 JFGE COc1ccc(N(C(=O)CC(=O)N/N=C/c2ccc(O)cc2O)C(=O)c2ccc(F)cc2)cc1 1088650645 GQFDXBRFJYWRNO-VULFUBBASA-N 465.437 2.959 50 10 JFGE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cnn(CCCBr)c2)CN1Cc1ccccc1 2179792221 CXJRDSSYUXWENA-SJLPKXTDSA-N 455.422 2.952 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2257377785 DNQSIOJTRSVOIS-QHCPKHFHSA-N 492.406 2.998 50 10 JFGE CN1C[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)[C@H](Br)C1 2277928510 ROTYJQIMDXLOCI-NEPJUHHUSA-N 454.988 2.948 50 10 JFGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 2296849809 YOJLWUWXQYBVLH-UHFFFAOYSA-N 470.533 2.559 50 10 JFGE C[C@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@@H]2Br 2307515220 SCMMJPZZSPHKKZ-YGOSVGOTSA-N 455.374 2.544 50 10 JFGE COCCN(CCOC)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40618333 BEYHNXBVKHXDGG-UHFFFAOYSA-N 480.525 2.759 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40647323 GTZUFNGEEHYCMJ-UHFFFAOYSA-N 475.219 2.951 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccco2)cc1OC 725404261 ZQGQOFUEBPAFKY-UHFFFAOYSA-N 471.535 2.681 50 10 JFGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1 725435937 RDGVMCNSHGRHAU-SFHVURJKSA-N 450.539 2.842 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)O[C@@H](C)C2 730649328 CUSYWYMEZOXUSW-ZAAXVRCTSA-N 452.507 2.825 50 10 JFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084298118 KBAOQSSLFWETHV-UHFFFAOYSA-N 475.929 2.829 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNc3cc(Cl)nc4c3c(C)nn4C)c2)CC1 1670813620 REXOUKHFBYFGRR-UHFFFAOYSA-N 456.938 2.747 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860770990 FQLIRPANDKBSCJ-UHFFFAOYSA-N 461.503 2.545 50 10 JFGE COc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867217729 WCZQYGZFLLOZJT-MRXNPFEDSA-N 453.568 2.777 50 10 JFGE CC(C)(C)OC(=O)NCc1ccc2c(c1)N(S(=O)(=O)CI)CCO2 2007720418 KBYGVUIPIPWFFJ-UHFFFAOYSA-N 468.313 2.632 50 10 JFGE CN(C)[S@@](=O)(=NCC1(CBr)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106783237 YFPCTXKGGNDWDD-SANMLTNESA-N 453.447 2.964 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@]1(C)CBr 2108230716 KJHYTUFRZUPWLE-IAGOWNOFSA-N 497.333 2.835 50 10 JFGE Cc1sc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1C 2283981420 MFGVERSCPKQHKT-IERDGZPVSA-N 490.431 2.502 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2301665716 YEEAYJBLQGOORU-FQEVSTJZSA-N 479.729 2.671 50 10 JFGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CNc2cc(C(=O)OC)ccc2C(=O)OC)cc1 2324335613 SHUWAQVBQOIYIJ-UHFFFAOYSA-N 451.435 2.895 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2364210718 GEAGKUJCGFFVOJ-ATZDWAIDSA-N 499.427 2.515 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Cl)[C@H]1C(F)(F)F 2370238586 OYWWVLAZUCVKHC-ZQIUZPCESA-N 470.872 2.975 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2C)c(Br)c1 13978593 KGFVKIBHXCDKRW-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 1084117681 MOQHJWQTIIBIJH-UHFFFAOYSA-N 494.968 2.798 50 10 JFGE CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NN=Cc2ccc(C(=O)OC)cc2)cc1 1084531816 YUVJTOXHPFOYAE-HXUWFJFHSA-N 452.536 2.815 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)COc1ccccc1Br 1536590227 NEUKGUZNAQSUKQ-GOSISDBHSA-N 458.312 2.940 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851707 GRJBCULBYIMRPS-FMIVXFBMSA-N 460.515 2.994 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866868580 VMJSUJPKDDCOPQ-MOPGFXCFSA-N 469.592 2.714 50 10 JFGE CSCC[C@@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026311 QCMQZWZGOYMTFF-UGSOOPFHSA-N 495.436 2.837 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 2108234102 MCWJGQFUVFFPTF-IFXJQAMLSA-N 487.391 2.980 50 10 JFGE O=S(=O)(c1cc(CBr)cs1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2123225569 QRIAFBHFPRNVIH-IRXDYDNUSA-N 457.415 2.917 50 10 JFGE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058674 MMGGREUQUYXNNE-QLFBSQMISA-N 468.458 2.962 50 10 JFGE O=S(=O)(C[C@H](Br)c1cc(I)ccc1F)N1CCOCC1 2169668488 QLEYWTWDFVIWCG-NSHDSACASA-N 478.121 2.528 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2179860832 YBOTVASDQYYZPJ-MSOLQXFVSA-N 453.406 2.542 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)CC12CCCC2 2217438170 MQWHHBKKXNJJJM-CQSZACIVSA-N 455.374 2.785 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CCCCCI)C1 2220217112 PDPQQERUUBRSSI-SFHVURJKSA-N 468.376 2.930 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])s1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2297476814 QVQQXVOJAVTLHN-UHFFFAOYSA-N 478.552 2.695 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCCBr 2299176580 JAXPHZNGENNEDK-UHFFFAOYSA-N 477.446 2.746 50 10 JFGE C[C@@H]1CC(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2I)C[C@@H](C)S1(=O)=O 2307473243 XUXKMZYLZLYFRD-HBJVGIJOSA-N 473.373 2.780 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2339937258 FGPYBANSVXHLLU-RUZDIDTESA-N 484.361 2.963 50 10 JFGE NNC(=O)c1coc(COCc2cc(I)ccc2Br)c1 2367269611 WOWJBRIKYDIGKL-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1OCCOc1ccccc1 14040583 IYLHOGNJACGKKP-UHFFFAOYSA-N 451.435 2.893 50 10 JFGE COc1cccc(N(CC(=O)NN=Cc2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)c1 1083901353 PRSGUUXIUIEYOB-UHFFFAOYSA-N 481.530 2.812 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)c1 1154050865 YWJQNKIHHZHRQU-UHFFFAOYSA-N 456.471 2.690 50 10 JFGE C[C@H](Br)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531683 DBDXKDCATAXILN-KPZWWZAWSA-N 461.353 2.588 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2105891842 VKVIIBNYZPKZHF-UHFFFAOYSA-N 452.365 2.544 50 10 JFGE C=CC[C@]1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2250431575 UPSPQUNNDKIZJE-LJQANCHMSA-N 455.374 2.666 50 10 JFGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 2297461431 RGIRIMPXWIPREY-JOCHJYFZSA-N 461.591 2.700 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315422953 XKYVWSLSWUDBTN-IECZYAKXSA-N 473.364 2.588 50 10 JFGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1ccc(B(O)O)cc1 2319281959 FBPYYNIRFMAIHM-QGZVFWFLSA-N 470.334 2.615 50 10 JFGE O=C(NC1(C(=O)Nc2cc(F)c(B(O)O)c(F)c2)CC1)OCC1c2ccccc2-c2ccccc21 2319283979 FVZXACLNAVOIFN-UHFFFAOYSA-N 478.260 2.654 50 10 JFGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2355843509 XCYQECPBTFHWJY-XUVXKRRUSA-N 456.450 2.792 50 10 JFGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OC(=O)c2ccco2)cc1 254341361 DVPDJTVCGINWTQ-UHFFFAOYSA-N 461.883 2.581 50 10 JFGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254841857 WLBZPDUTYWJTMQ-UHFFFAOYSA-N 465.531 2.951 50 10 JFGE COc1cc2c(cc1OCCCN1CCOCC1)[C@H](N[C@@H]1CC[C@@H](F)[C@H](Cl)C1)NCN2 607701838 AXALNSHFVCGQQS-KLSTYFJDSA-N 456.990 2.855 50 10 JFGE C[C@H]1CC[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965978 VUPPJUQOGINGLG-UONOGXRCSA-N 457.390 2.886 50 10 JFGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709149388 GINPIRUQBWXCEY-JKSUJKDBSA-N 457.390 2.886 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccccc2)n1 914467579 BOONUXDHLCBKLT-JWGURIENSA-N 462.517 2.986 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3cccnc3)n2N)cc1 1084363537 ODSXNTZVGVPFKP-UHFFFAOYSA-N 452.588 2.923 50 10 JFGE C=CCO[C@H]1CCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1546131471 BINXXZUNUHDBBZ-PGNDWZGLSA-N 453.930 2.789 50 10 JFGE C#Cc1cccc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1 1564924718 VQSNHBSCWJDEOF-UHFFFAOYSA-N 454.533 2.674 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)c1 1594447379 QTXFDGMGZWFREC-UHFFFAOYSA-N 457.987 2.697 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)c2)CC1 1660786465 IPSKKLSUYKTDIK-GOSISDBHSA-N 453.543 2.592 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851991 MJTSTJRBQKZIDZ-LBPRGKRZSA-N 460.943 2.605 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCC1(CBr)CC1 1942088287 LBJBJQDIWVLKKI-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)c1cscn1 2055482564 ZAGKRERAYDWXCZ-DYVFJYSZSA-N 490.376 2.523 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]1(CBr)C[C@H]1C(F)(F)F 2072465039 XQTZIVNBIXUPIK-CJNGLKHVSA-N 483.306 2.556 50 10 JFGE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162591238 JDAGXGZTEIIFMM-ARFHVFGLSA-N 463.394 2.931 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)CC(NS(=O)(=O)N1CCC(Br)CC1)C2 2162592578 VYSHARORDGALFW-UHFFFAOYSA-N 466.442 2.860 50 10 JFGE O=S(=O)(Cc1ccsc1Br)NCCOCCCI 2218988952 HXBBJUDSAOIWCR-UHFFFAOYSA-N 468.176 2.772 50 10 JFGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 2297471342 JHQXYGIATOPEIN-OALUTQOASA-N 456.524 2.947 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(CBr)CCCO1 2338862171 XDHMMLFVYPLDSY-LLVKDONJSA-N 459.964 2.619 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(O)cc1 254845556 XJOYTEAZVFFOSH-UHFFFAOYSA-N 464.511 2.693 50 10 JFGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2040421834 IDFQZVIUFXOUHM-UHFFFAOYSA-N 478.324 2.732 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2108396754 KVFWJLDVSBSLLQ-BAGFXWCHSA-N 487.391 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(CCCBr)C1 2216701447 LIOKPLWOMLVSDK-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2269688352 IBJRIYSGMAPQQF-RUZDIDTESA-N 490.340 2.685 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Cl 2364208510 JHWBSXHEZMICSW-ROUUACIJSA-N 454.976 2.691 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2364213584 HSKIMJGTBQAXRS-KFKAGJAMSA-N 499.427 2.800 50 10 JFGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40658790 BVWDEIIOYNERLJ-UHFFFAOYSA-N 492.279 2.971 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)cc1 40728305 NVHOCCLHGFNVSC-UHFFFAOYSA-N 453.934 2.804 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc2ccccc2c1 254294754 LMMDPQATMDPKOQ-OAHLLOKOSA-N 473.541 2.914 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@H](C)C2 254395205 DSSLGULVYSATIA-ZDUSSCGKSA-N 471.535 2.925 50 10 JFGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1540285223 YEKBJECBSPTTGL-HNNXBMFYSA-N 451.520 2.723 50 10 JFGE COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)c1 1865758063 HJBRPYCJJMRDRL-UHFFFAOYSA-N 451.479 2.923 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 1883292631 MXYZBFFMNUOFJO-MRXNPFEDSA-N 487.416 2.562 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC[C@H](NS(=O)(=O)CI)C2)CC1 1983330980 ULNHGHSSGQYQMC-LBPRGKRZSA-N 458.362 2.868 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCC2 2046018374 IGWSQBNBDNQNLR-ACJLOTCBSA-N 473.364 2.733 50 10 JFGE CCn1c(C)nc2cc(C(=O)NNC(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)ccc21 2059826650 MBNPSUBEDKDELM-LBPRGKRZSA-N 454.556 2.840 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065390506 KSKCSVLFSZTXHZ-FICVDOATSA-N 469.401 2.744 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2084690828 RYXCWNDUHZIMNH-RUZDIDTESA-N 472.350 2.546 50 10 JFGE CC(C)[C@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2126337241 RIFIHFPEZOOMQF-CABCVRRESA-N 454.431 2.714 50 10 JFGE O=C(N[C@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(O)c1 2206486521 RPQKONFZZUMNQC-CMPLNLGQSA-N 452.086 2.812 50 10 JFGE OB(O)c1cc(Nc2ccc(Br)c(I)c2)ncc1Cl 2277618345 MHAWTTAHJYKGGM-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE C[C@@H](CBr)CS(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2338952635 FCDGAYNLXAONAB-ZETCQYMHSA-N 482.036 2.738 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1CCl 2381133906 VBSAYMIEOOKJIR-GOSISDBHSA-N 454.976 2.503 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990580 SVTKWIOOMZQVSF-VLGSPTGOSA-N 487.516 2.592 50 10 JFGE O=C(Cc1ccccc1)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 40659430 YWFADQBWRRSJBQ-UHFFFAOYSA-N 451.462 2.536 50 10 JFGE C/C(=N/NC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc2c(c1)OCO2 58989968 RNAPHJGTGFFSCS-QRVIBDJDSA-N 454.512 2.506 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607125 JGBCCMXBVZBGRX-XIEYBQDHSA-N 493.476 2.872 50 10 JFGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)CC1 758659402 UKTUBRIEKUHSNZ-HAVVHWLPSA-N 475.593 2.846 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1F 1084640515 VDTSREMMDUFPMY-UHFFFAOYSA-N 480.334 2.958 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CSc1nnc(N)s1 1084655157 YDVFUHDFYLREAC-UHFFFAOYSA-N 456.601 2.847 50 10 JFGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1 1654346796 DEBQAZNSCYXJIP-CYBMUJFWSA-N 454.412 2.938 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC[C@H](Br)C1 1942097224 GUYPDIBVRBVIGI-CABCVRRESA-N 457.390 2.936 50 10 JFGE C#CC[C@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2084851289 HYNIIFCETHSSLG-HXUWFJFHSA-N 469.401 2.653 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162593012 ZYBKCMUXPIPCMX-SFHVURJKSA-N 463.394 2.886 50 10 JFGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Cl)CC1 2223824550 KQCRXAZQIJADAE-UHFFFAOYSA-N 499.074 2.722 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1C[C@@H](Br)CCO1 2338863662 MPUGAZONYPMXLE-NKWVEPMBSA-N 459.964 2.617 50 10 JFGE COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2417125 GUKLGOGBDDMCFW-AUADJRAKSA-N 451.508 2.858 50 10 JFGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502412 NHZKBDKKECGUAA-UHFFFAOYSA-N 469.350 2.813 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623252 UDHHIVABPGWSIS-HNNXBMFYSA-N 460.328 2.658 50 10 JFGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990565 ZVLHZYYTNPDCHO-SILNSSARSA-N 492.557 2.685 50 10 JFGE COc1cc([C@H](C)NC(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OC1CCCC1 725872308 DGILDMLRPCJACL-AWEZNQCLSA-N 460.556 2.900 50 10 JFGE CC(C)=CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859006038 AAHQGWHDCIJPEL-UHFFFAOYSA-N 465.459 2.836 50 10 JFGE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904429158 CFUCUIPCUBQRFW-YJYMSZOUSA-N 465.638 2.945 50 10 JFGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2041122049 PCBUGAAFTCAKHB-QGZVFWFLSA-N 479.343 2.887 50 10 JFGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccccc1I 2313860761 NDSNUVVASWWAPJ-UHFFFAOYSA-N 496.286 2.548 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(CCOCCI)CC2)C1 2326653540 IFFNCHIWESOAMW-HOTGVXAUSA-N 467.392 2.501 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CCl)CCOCC1 2364195801 TXZQIEZAASVAIZ-UHFFFAOYSA-N 456.992 2.798 50 10 JFGE O=C(Cc1ccccc1)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 40659431 QDOARUKVHKHXKA-UHFFFAOYSA-N 451.462 2.536 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@H](Br)C1 703991777 VIPPCPQIEQAIOE-KGLIPLIRSA-N 457.390 2.792 50 10 JFGE O=C(c1cccc(F)c1I)N1CCCN(CCBr)CC1 721671422 GHFICRWIBDPHCA-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 722198076 CQGARZZJNQBRIB-KBRIMQKVSA-N 455.374 2.640 50 10 JFGE COc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)c2C)cc1 725424496 IRTJWLRTZIKRSC-UHFFFAOYSA-N 489.576 2.910 50 10 JFGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313699 ASEHWQFAUBPQPY-MLPWYGTASA-N 499.637 2.794 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084466765 SJHSBTVHVGDWGL-UHFFFAOYSA-N 476.327 2.509 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)c1 1471691551 IUNXKHMWYMETAW-UHFFFAOYSA-N 456.871 2.752 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2OC)c1 1594447380 QUKZJLZAUYKIJQ-XMSQKQJNSA-N 461.547 2.958 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1CBr 1942095478 RTQVWTPONILZDO-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE CCN=c1[nH]cc(Br)c(=NCCSSCCNC(=O)OC(C)(C)C)[nH]1 2061267480 DOGOLJNFVIBSCY-UHFFFAOYSA-N 452.444 2.833 50 10 JFGE CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106775108 UIWGHKSZLZUCGB-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2108226975 CEWBJKAGDIFRSA-AEVYOOLXSA-N 487.391 2.979 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2162203699 GMOFEOSGTYCACI-RBUKOAKNSA-N 456.450 2.935 50 10 JFGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179948904 ORONUQGHMOZQQF-UFYCRDLUSA-N 456.450 2.935 50 10 JFGE C[C@@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116987 KWWANJKPONKGSX-COXVUDFISA-N 457.390 2.934 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 2313861854 IGVDMPMNPYAAND-UHFFFAOYSA-N 462.915 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CBr 2316822886 VKZHBNUVNVWVRA-OLMNPRSZSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2nnn3c2CCC3)C1 2316912916 WMCKQFDVUJWZHO-KRWDZBQOSA-N 462.332 2.946 50 10 JFGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)C(=O)NNC(=O)C1CCC1 59878978 WMXMPWVXIJZOHB-GCYXGZDWSA-N 456.359 2.986 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 101611463 IOQLKWVDUQTFPS-XIEYBQDHSA-N 464.478 2.800 50 10 JFGE COc1ccc(/C=N/NC(=O)C(F)(F)F)cc1CN1C[C@@H]2CC[C@@H](C1)c1cccc(=O)n1C2 103557674 GFISPPCTBCTOIQ-PSLLEODASA-N 462.472 2.879 50 10 JFGE Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1I 728111263 FIOQQVQQFFUIKE-UHFFFAOYSA-N 472.666 2.871 50 10 JFGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)c1 1772746724 GBMBAMZJSBUHKP-UHFFFAOYSA-N 450.451 2.735 50 10 JFGE COc1ccc(-c2nc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866674980 BUKRUAYPBSXESO-FQEVSTJZSA-N 466.519 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)[C@H]1CC=CCC1 2019480546 MQVHMWMUJAJXOV-WMLDXEAASA-N 455.374 2.712 50 10 JFGE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC1CC(Br)C1 2020233518 GVOJKBJICZRGCW-YMAMQOFZSA-N 462.362 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2078143205 NVZOJUORMVEETO-YWZLYKJASA-N 469.401 2.890 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1C[C@H](Br)[C@H](Br)C1 2213760125 APJANGHINLJOCF-OLQVQODUSA-N 469.018 2.578 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(C(=O)OC)c2)c(Br)c1 10294195 JWPDHYOKQYPUSS-UHFFFAOYSA-N 494.367 2.513 50 10 JFGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13980517 HHHDKVKBRQKXKS-LBPRGKRZSA-N 475.483 2.731 50 10 JFGE O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cccc(OCc2cscn2)c1 16706450 DPHHWVLBJCVPKJ-UHFFFAOYSA-N 465.579 2.695 50 10 JFGE COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(=O)N1CCOCC1 27551141 GFJWQIBRMCMNKO-HXUWFJFHSA-N 483.521 2.986 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40657991 KRZGUOJVYOVRFZ-UHFFFAOYSA-N 455.425 2.747 50 10 JFGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965980 VUPPJUQOGINGLG-ZIAGYGMSSA-N 457.390 2.886 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 913257479 FKZHJLIDSLOSHL-QFTJCQGQSA-N 452.486 2.550 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccccc2)n1 914467577 BOONUXDHLCBKLT-CJLVFECKSA-N 462.517 2.986 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)c(F)c2)cc1 1567743698 JWEORMGKZAURJJ-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)C1 1865851391 ANPWNZIBNSSKDT-CYBMUJFWSA-N 470.526 2.532 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 1910957195 BZWRGYJEXHNNGH-CABCVRRESA-N 479.665 2.769 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCCO1 1926759550 HSUIMZYOBBXLMX-HZPDHXFCSA-N 487.416 2.705 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)CI)C(F)(F)CC1 1983334379 QQDFHOLXVTZALW-SNVBAGLBSA-N 468.304 2.581 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCS[C@@H](CCBr)C1 2029212939 OPYAZBXDJABIEF-HNNXBMFYSA-N 489.457 2.985 50 10 JFGE C[C@H]1[C@H](Br)C[C@@H](C)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2214801427 QTWCTSCJLHNBCW-JKIFEVAISA-N 457.390 2.886 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2256629061 PVLLTKYSTWPQRL-GYCJOSAFSA-N 492.406 2.998 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1ccc(Br)cc1I 2320389782 DNFSSISUXQLOBR-VIFPVBQESA-N 490.917 2.720 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(F)cc1 2325198558 QSDOHRKAGMAAGJ-UHFFFAOYSA-N 464.906 2.958 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@@H](CBr)CO1 2338851224 XWSGPPYNCHYOMA-JKSUJKDBSA-N 487.416 2.562 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCCl)O1 2364212762 AHTVMMJCRDHPLJ-SJORKVTESA-N 456.992 2.891 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1C 13976906 OFSNBXTVLRPWFY-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 217175907 QOMLJWMKLKOQCK-JUJXNAJKSA-N 498.605 2.603 50 10 JFGE O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729624090 SCSWBCVZJNSYED-UHFFFAOYSA-N 470.545 2.994 50 10 JFGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCCO)cc1I 1084585175 BSGLVGBTVBRCCP-UHFFFAOYSA-N 463.275 2.964 50 10 JFGE C=CCO[C@H]1CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1546131469 BINXXZUNUHDBBZ-KZFLWGQDSA-N 453.930 2.789 50 10 JFGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)Cc2cccc3ccccc23)CC1 1670816973 BDVQXAVYDCFBRV-UHFFFAOYSA-N 459.550 2.899 50 10 JFGE CCC[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1911466977 UCCCPLJWEYMGIB-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCCBr 2046030021 VNQGPQRSLITAIX-IFXJQAMLSA-N 475.380 2.980 50 10 JFGE CN1CC(=O)N2[C@H](Cc3c(n(C(=O)CCl)c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 2070223594 UHUVSFFJRVNGBH-VGOFRKELSA-N 465.893 2.564 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199772731 JQCPHCIGXQRYGD-ATZDWAIDSA-N 499.427 2.657 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2257371944 DNQSIOJTRSVOIS-QHCPKHFHSA-N 492.406 2.998 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1OC 2313617217 PVRNKJYASHOAFX-UHFFFAOYSA-N 451.504 2.912 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1OC 2313617231 RBZTWRRMSFJXPR-UHFFFAOYSA-N 465.531 2.971 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccccc3C)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C 254295756 DMQKSSCUZYZPBQ-NRFANRHFSA-N 457.555 2.518 50 10 JFGE CCCN1C(=O)C(=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 254481470 UEZLYZLAXDAQRK-CQSZACIVSA-N 463.563 2.860 50 10 JFGE Cc1nc(-c2ccc(CNC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cc2)cs1 728961783 PFYIYUYZYNVTIW-UHFFFAOYSA-N 451.556 2.656 50 10 JFGE CN(Cc1ccccc1)S(=O)(=O)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccccc1 916824268 BIXPHXJNJRSXTP-QNGOZBTKSA-N 474.546 2.864 50 10 JFGE NS(=O)(=O)c1ccc(CCNC(=O)[C@@H](Br)Cc2ccccc2Br)cc1 1858181216 IWXTUDQRDOAKNP-INIZCTEOSA-N 490.217 2.761 50 10 JFGE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)sc1Cl 1884980325 VFXRRMDJXPDOFF-SYDPRGILSA-N 454.549 2.841 50 10 JFGE CN([C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)S(=O)(=O)CI 1991837138 WVHLQLHZPLEKFT-ZDUSSCGKSA-N 454.330 2.907 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2022849920 QHBYIRSBOWJVIA-CABCVRRESA-N 479.665 2.627 50 10 JFGE O=C1CN(Cc2ccc(I)c(Cl)c2)CCN1CCBr 2142942585 FBTVYGGWQOYERM-UHFFFAOYSA-N 457.537 2.984 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2163059294 RWAHTFWSDVMGJO-AWEZNQCLSA-N 466.442 2.717 50 10 JFGE COc1cccc(NC(=O)C(C#N)=CN=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 2297471447 NKNOCDMMDKGEQH-SFTDATJTSA-N 498.586 2.825 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2301664061 GVOIABDPFRHFMH-QRQCRPRQSA-N 478.379 2.922 50 10 JFGE COc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 2314435482 SVTKWIOOMZQVSF-UHFFFAOYSA-N 487.516 2.592 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)OCC12CC2 2364229749 DDKVISBWHLTDPR-ZETCQYMHSA-N 471.975 2.714 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2364231101 VHQHDJZBAPBWKH-MADCSZMMSA-N 471.975 2.571 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(=O)N(CC(C)C)c3ccccc32)c1 3574060 VJAKRRFYLCBIME-FLFQWRMESA-N 456.568 2.854 50 10 JFGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534592 LFDSJZUWJKJWAH-YBVZJTECSA-N 480.985 2.688 50 10 JFGE COc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1O 254409137 VRKXDSCWPUJPBF-UHFFFAOYSA-N 484.490 2.655 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 703993502 KKJBQTVJRDGZID-BBRMVZONSA-N 457.390 2.744 50 10 JFGE CCCNC(=O)CN(C)C(=O)COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 917230403 CFZHPKOTMBYZOW-XDHOZWIPSA-N 454.502 2.668 50 10 JFGE COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2F)CC1 1858628450 GRQWVPKAFXIYEG-UHFFFAOYSA-N 467.475 2.865 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCCCN2S(=O)(=O)CI)CC1 1984063268 WZUQDIQLNYIDEX-UHFFFAOYSA-N 458.362 2.964 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(I)CC1 1992342672 CDWSZAUFECHCBP-UHFFFAOYSA-N 490.363 2.682 50 10 JFGE CN1CCN(C(=O)c2ccc(I)c(O)c2)[C@@H](CCBr)C1 2202835181 QXAOMYQQVAIVNL-NSHDSACASA-N 453.118 2.538 50 10 JFGE CC(=O)C(C(=O)N(N)c1nc2ccccc2s1)=C(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2293366982 LRENESWCOIKUJC-UHFFFAOYSA-N 493.589 2.913 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1cc(Br)ccc1I 2320398931 PJYUWKJQSDUZSH-SECBINFHSA-N 490.917 2.720 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)COCCN(C(=O)OC(C)(C)C)C1 2325082852 CSZHLXIOADKTPA-FQEVSTJZSA-N 495.664 2.573 50 10 JFGE NNC(=O)[C@@H]1C[C@@H]1CCCOCc1ccc(I)c(Br)c1 2377632975 JBJNSEPXMZSHTL-WDEREUQCSA-N 453.118 2.977 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 9821877 FOUGBBYRJCPIPR-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE COc1c(OC(C)=O)ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 254312050 RQCANVNZFFCYBP-UHFFFAOYSA-N 463.446 2.915 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(C(=O)OC)cc2)sc2c1CC[C@@H](C)C2 254395204 DSSLGULVYSATIA-CYBMUJFWSA-N 471.535 2.925 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 1136632528 AXPQLXRJNSXQJD-ULJHMMPZSA-N 457.578 2.593 50 10 JFGE Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Cl 1872962072 PGCUJCKMLZOSDA-SJORKVTESA-N 455.946 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 1942097431 HXBQNWWGIBAXHZ-SOUVJXGZSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)Cc1ccsc1 2004261415 LJHPKMWKQYBHML-UHFFFAOYSA-N 471.398 2.961 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2068352934 ADCSHOIAHLTNHT-OWZDWXTDSA-N 469.401 2.792 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2106774061 OGDQNGSKXDNXLB-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2108246621 XNAYIRFHVSRDGW-QUCCMNQESA-N 487.391 2.886 50 10 JFGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1 2162601492 LUJXIQNKUUGXEA-IBGZPJMESA-N 452.960 2.784 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2269540376 AAPALOTWAMKGMZ-AREMUKBSSA-N 486.377 2.936 50 10 JFGE OB(O)c1cc(Nc2ccc(Br)cc2I)ncc1Cl 2277618874 SCWJWQCFJJMCOD-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1 2301723674 VLGNUOIRYVHSDW-HSZRJFAPSA-N 462.286 2.761 50 10 JFGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2314476742 UUCSXJSVEHFWHZ-UHFFFAOYSA-N 461.547 2.977 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314793020 KIAXFLLOBMVXHJ-UHFFFAOYSA-N 452.463 2.697 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 10510795 FELTVXIJBDBBJL-UHFFFAOYSA-N 494.529 2.931 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(F)cc1 13986957 UXLNTHSWSAHXBO-UHFFFAOYSA-N 460.712 2.956 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 58987129 NCKBJFYWPRKHBL-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 217230647 AIMBCGKZLMSROD-QBFSEMIESA-N 454.395 2.635 50 10 JFGE N[C@H](CSS[C@@H]1CCN([C@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 255962566 AMPOCARAOGXMMH-YRIAXKITSA-N 468.572 2.725 50 10 JFGE O=C(CCCc1ccccc1)NNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 727717220 CCWATGCFUORDQC-UHFFFAOYSA-N 458.312 2.606 50 10 JFGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)c1 802576984 YAIORFYKNNTNNU-UHFFFAOYSA-N 451.508 2.731 50 10 JFGE COc1ccc(CC(=O)NN=C(C)CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1OC 1083854006 KSSWXPBQWAWIDD-UHFFFAOYSA-N 465.510 2.803 50 10 JFGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(I)cc2)c1C#N 1084224890 PFKVCZRFWBCUOG-UHFFFAOYSA-N 464.263 2.542 50 10 JFGE COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)c1ccc(Br)cc1 1318313005 ZMAPEROXFJTLJK-UHFFFAOYSA-N 482.125 2.983 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)c1 1644011269 CLAHETNFTZYFKU-KRWDZBQOSA-N 458.490 2.892 50 10 JFGE CC1(C)C[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1945898486 JJXSNXUAXSNVSL-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC(NS(=O)(=O)CI)CC2)C1 1983329825 MWERQXXKWQJDGW-UHFFFAOYSA-N 458.362 2.868 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](Br)C1 2003384508 MAQVMEJNVBZSPK-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2239159478 XPCJUHZFYSNECY-GHTZIAJQSA-N 499.427 2.659 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2C[C@H]1CBr 2278979822 LKXRPOVYKDLCEE-KRWDZBQOSA-N 477.380 2.824 50 10 JFGE C[C@H](Sc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1)C(=O)NNC(=O)C1CCC1 59879476 DNCCKIUTBZIOGJ-NMSWJACLSA-N 472.358 2.691 50 10 JFGE C=CCOc1ccccc1C=NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916354575 GBVZJXXZCYUJAE-FQEVSTJZSA-N 487.578 2.668 50 10 JFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1 1084625419 RNKWANDRTBZTBG-UHFFFAOYSA-N 469.494 2.943 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 1669716623 XGAKTFHRHNAEKB-DYVFJYSZSA-N 455.437 2.641 50 10 JFGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1[N+](=O)[O-] 1860769863 JWXXUGLRARVDDQ-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCCCCCI 1936749157 QDUMLIYEMWANHP-UHFFFAOYSA-N 492.379 2.978 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C1CCC1 1942099193 SELCRYXTEKNSHD-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)NC1(C2CCN(S(=O)(=O)CI)CC2)CCC1 1983330406 PZNGQFMJQUITCL-UHFFFAOYSA-N 458.362 2.868 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2N1S(=O)(=O)N1CCC(Br)CC1 2164650095 XVRJTODQVKEDTO-KBMXLJTQSA-N 466.442 2.858 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H](Cl)CO2 2173125621 AJFNWXVNOFWWRA-OAHLLOKOSA-N 454.976 2.501 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(F)cc1I 2178907378 PZOYNMLMPVFLDT-ONGXEEELSA-N 455.109 2.970 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2179871215 XMKIJACKGCXUQZ-LJQANCHMSA-N 453.406 2.981 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2243685538 WQVQCUWHAQRZPG-CQSZACIVSA-N 464.714 2.886 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 2296722581 WFBXGGPEDWQZBF-QGZVFWFLSA-N 498.948 2.659 50 10 JFGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2cccnc2)cc1 20288796 DCYQAFQDSJYLIG-RCCKNPSSSA-N 472.461 2.958 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)cc1 40759482 QGXFXRYLMUMODC-UHFFFAOYSA-N 473.534 2.729 50 10 JFGE COc1cc([C@@H]2C(C(N)=C(C#N)C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 96336651 QQNGOYKDELWEJA-SFHVURJKSA-N 450.495 2.900 50 10 JFGE N#CC1(O)CCN(C(=O)[C@@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757396870 DLWPOAYOODEZJN-JOCHJYFZSA-N 477.517 2.636 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)nc2c1 1860770873 AOFUHDDVVPECBU-TZMCWYRMSA-N 464.551 2.561 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)Cc3ccccc3[N+](=O)[O-])c(C)n2)cc1OC 1865757973 CVQFPLKUDAVBCO-UHFFFAOYSA-N 450.451 2.986 50 10 JFGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618378 JBZXCEAGRKCXJX-HXUWFJFHSA-N 480.546 2.631 50 10 JFGE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2106780188 VYYXGTXFKNFULA-KBPBESRZSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2162603601 YOQGNQISOMOKER-MKZZRHPPSA-N 466.442 2.858 50 10 JFGE CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2163051020 PEGSAVRNKCNWHX-KSSFIOAISA-N 466.442 2.717 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179952273 KCLUYIGPJBRFQT-KRWDZBQOSA-N 467.376 2.713 50 10 JFGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1cc(I)ccc1O 2206484517 JICMJXOYABRVJO-ZYHUDNBSSA-N 452.086 2.812 50 10 JFGE Cc1ccc([C@H](Br)CS(=O)(=O)N2CCOCC2)cc1I 2232828647 UDZPREVHLUSTSU-GFCCVEGCSA-N 474.158 2.698 50 10 JFGE CN([C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)N1CCC(Br)CC1 2274183783 SVGTUVNXIVMJLR-CQSZACIVSA-N 454.431 2.668 50 10 JFGE CNC(=O)C(C#N)=C1S[C@@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834971 HWYCKSLWTCSFCG-LJQANCHMSA-N 485.363 2.695 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1ccc(Br)cc1I 2303603961 YPIYCMQTIFPCNA-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE NNC(=O)[C@H]1C[C@H]1CCCOCc1cc(I)ccc1Br 2367268745 NUSONNXZMNYHQO-SKDRFNHKSA-N 453.118 2.977 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 13976538 TYYPCQJKHVOROO-DHZHZOJOSA-N 481.315 2.649 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CCBr)C1 703994337 RVWZOLNZEXCALJ-CQSZACIVSA-N 457.390 2.746 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H]1Br 707409261 IUAJDFRFTFNSEP-CZUORRHYSA-N 457.390 2.792 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)N2CCc3ccccc32)c(-c2ccccc2)n1 729901068 AIVQSGLLFBZUEU-HMMYKYKNSA-N 472.530 2.794 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084099690 MTRZPCREPASNMD-UHFFFAOYSA-N 465.531 2.641 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccncc3)n2N)c(O)c1 1084175837 AQMJJFFBWHJRKS-UHFFFAOYSA-N 468.587 2.628 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745020 OONSBBKRXOYPII-UHFFFAOYSA-N 476.489 2.847 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859005601 JIUBIMFTFJWKBH-UHFFFAOYSA-N 488.453 2.579 50 10 JFGE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962189 QXXPSURIOCELPN-MOPGFXCFSA-N 495.580 2.614 50 10 JFGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1916332289 DJMGSQISYNQZLT-CYBMUJFWSA-N 481.210 2.783 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CCBr 1942935717 ZFAKKVVAIRDTPY-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE CN(C)[C@H]1CN(c2ncc(I)cc2Br)C[C@H]1Br 2015765037 DEWLADOYGKSCGN-ZJUUUORDSA-N 474.966 2.962 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 2046023260 QUNXYKILRAIUQF-VPZZIHKRSA-N 475.380 2.692 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106296548 ANVPCOFYRJBTQM-ZFWWWQNUSA-N 454.431 2.764 50 10 JFGE CN(C(=O)OC(C)(C)C)C1CCC(NS(=O)(=O)N2CCC(Br)CC2)CC1 2106303102 QXXPIQBXAQSILR-UHFFFAOYSA-N 454.431 2.858 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2C[C@H](Br)C(F)(F)F)CC1 2163061926 JAZAITOKDDIDST-OLZOCXBDSA-N 458.319 2.856 50 10 JFGE C=C[C@@]1(CBr)COCCN1C(=O)c1cc(I)ccc1O 2199848736 NZCGQWLWOTXEKZ-CQSZACIVSA-N 452.086 2.789 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 2313617030 UPBSADYRHSTQAR-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2316827394 QGBCJRUCECQFQV-BCDXTJNWSA-N 469.401 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2326680451 VXQDYVVRVVYOHR-WMLDXEAASA-N 469.401 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2OCC[C@H]21 2364212705 ZVNUJJVWYIPFBV-IPELMVKDSA-N 454.976 2.643 50 10 JFGE CCOC(=O)CN1C(=O)C(=NNC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c2ccccc21 254385254 BDEHVIOXACGOLP-UHFFFAOYSA-N 482.500 2.529 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 254871061 MXQRXBKXSVPJRI-UHFFFAOYSA-N 477.554 2.663 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1 1084184964 VRBJWZILGXXMJP-UHFFFAOYSA-N 475.958 2.759 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2000613761 OEYXVWXRQSXYBI-JKIFEVAISA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CI)(OCCN2CCOCC2)CC1 2007005462 VRGBDXLDEYFCLF-UHFFFAOYSA-N 454.349 2.540 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H](CBr)C1 2046028713 KQENXEQVNRJHSZ-LPMFXHHGSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)c1cscn1 2055485252 AZHOFDZWXJMPFN-OAHLLOKOSA-N 486.413 2.965 50 10 JFGE CC1(C)[C@@H](Br)/C(=C\Br)c2cccc3c2N1C(=O)/C3=N\NC(N)=S 2087930009 XWWSFQMTUPZIHF-RUWBHBNGSA-N 458.179 2.862 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 2173135868 YHWSQZKUMDQJOJ-OAHLLOKOSA-N 499.427 2.657 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1ccc(Cl)c(I)c1 2256390236 NQWGKJYZXHXDIW-SECBINFHSA-N 493.466 2.651 50 10 JFGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cc(B(O)O)cs1 2302678092 FGZFRMIFERSSFT-OAHLLOKOSA-N 476.363 2.676 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2317614282 WIUUGBBWNPPJJI-HSZRJFAPSA-N 490.390 2.630 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)cc2C1=O 16281251 MJCOUOQPFBGOOU-UHFFFAOYSA-N 456.458 2.516 50 10 JFGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)ccc1O 254393133 QOGBGHKTCAYRRT-UHFFFAOYSA-N 494.537 2.701 50 10 JFGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccc(F)cc2)c(OC)c1 1084022949 XSIYGDCCFRLCFF-JOCHJYFZSA-N 484.484 2.554 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(C(C)C)c1C 1084123278 ZSYHBFGZZVUOSS-UHFFFAOYSA-N 492.613 2.894 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 1136632527 AXPQLXRJNSXQJD-JJIBRWJFSA-N 457.578 2.593 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cccc(C#N)c2)nc2cc(Cl)ccc2c1=O 1643357802 XZRSDLIYLLVNGU-UHFFFAOYSA-N 453.911 2.661 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc([N+](=O)[O-])c1O 1860773088 PNZFRZZMEAGAPC-PGGKNCGUSA-N 479.474 2.898 50 10 JFGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1914342534 YFLCBCNFEWZZPU-OAHLLOKOSA-N 465.369 2.898 50 10 JFGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CCC(Br)CC2)CC(F)(F)C1 2163052193 AXSGPLSPEWNZOA-UHFFFAOYSA-N 476.384 2.669 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ccc(B(O)O)c(C(F)(F)F)n1 2223647974 GCDICLHTOFHUJP-UHFFFAOYSA-N 453.270 2.702 50 10 JFGE Cc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248891829 GEUKZRMFZKCWEQ-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2256629262 RREPBZITCWDNKF-VOIUYBSRSA-N 492.406 2.998 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1scc(C)c1B(O)O 2301663519 AKPPJWZXXAQEHN-NRFANRHFSA-N 478.379 2.670 50 10 JFGE CC(=O)c1cccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 2325331635 AMPWLNZAPFDYHJ-UHFFFAOYSA-N 452.536 2.550 50 10 JFGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13983539 NXNPPOLAERMXJV-LBPRGKRZSA-N 475.483 2.731 50 10 JFGE COc1cc2c(cc1OCCCN1CCOCC1)[C@H](N[C@@H]1CC[C@H](F)[C@H](Cl)C1)NCN2 43193649 AXALNSHFVCGQQS-XNGFIGEISA-N 456.990 2.855 50 10 JFGE CN(C)C[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 716769150 HMGQDKWQQAHAMT-VIFPVBQESA-N 479.032 2.815 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2OCCn2ccnc2)cc1 1623066377 OXZBLSJPVVZGAH-QGZVFWFLSA-N 451.483 2.785 50 10 JFGE Cc1cc(Cl)ccc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962074 PGIWOPZAWZVRNB-IAGOWNOFSA-N 455.946 2.778 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1(C(F)(F)F)CCC(Br)CC1 1924711273 WHQDQBCGVQPDET-UHFFFAOYSA-N 483.306 2.841 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2042546076 UKDVUMNEMPLHED-LTCOOKNTSA-N 469.401 2.934 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2044828364 UIIRBNKRJLLMHO-KRWDZBQOSA-N 475.380 2.838 50 10 JFGE CC[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CN1C(=O)OC(C)(C)C 2106295161 DPQUGNHVQFYNDU-LSDHHAIUSA-N 454.431 2.858 50 10 JFGE O=C(OCc1ccccc1)N1CC2(CC=CCN2S(=O)(=O)N2CCC(Br)CC2)C1 2142786047 FTHQDGYXAZOVFH-UHFFFAOYSA-N 484.416 2.744 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)CO1 2162600839 JVCUVVDFMNQZAD-LSDHHAIUSA-N 463.394 2.790 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179816182 IYFPEEVMAYYDGU-DLBZAZTESA-N 453.406 2.756 50 10 JFGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3ccc(CBr)cc3)C2)C1 2182728549 MPRFSZUGLNBCRD-UHFFFAOYSA-N 479.418 2.989 50 10 JFGE C=CC[C@H](Br)[C@@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314233801 NPJIRZUAJQHQNQ-BXWFABGCSA-N 473.364 2.755 50 10 JFGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)c1 254704463 MBHQNJWDXMAHFO-UHFFFAOYSA-N 472.387 2.691 50 10 JFGE C[C@H]1C[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 705635805 CMQXSIQXPLLQBE-UONOGXRCSA-N 457.390 2.886 50 10 JFGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084456327 XQBMZWZWLDLJBY-UHFFFAOYSA-N 495.355 2.908 50 10 JFGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3c(C)cccc3C(C)C)c2)CC1 1468516210 YFLHXIOHZPYJAW-UHFFFAOYSA-N 458.584 2.728 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1942096358 AKRIBKNNNNOODY-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE CC1(C)C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2106294938 BEQMREYUPMBBSJ-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](NS(=O)(=O)N2CCC(Br)CC2)(C(F)(F)F)C1 2162590105 XYUUMCFZKPOLOL-CQSZACIVSA-N 480.347 2.622 50 10 JFGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCC(Br)CC1 2193227437 AYVJCNXADQIBLF-HZPDHXFCSA-N 470.355 2.743 50 10 JFGE COc1ccc(C=CC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 2296657804 WEUFUBOFUOAZAW-UHFFFAOYSA-N 468.513 2.892 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1OC 2317605250 JHTAFOXSYUQNIF-JOCHJYFZSA-N 474.322 2.631 50 10 JFGE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(C(C)=O)c2ccccc21 2432528 XRHFDTWTIOFGQB-WZQKQDCOSA-N 455.470 2.951 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14660322 ABRQQHBTZGRCGV-UHFFFAOYSA-N 496.383 2.959 50 10 JFGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 58886438 APTXIVFUERZHGJ-GDXCHIGESA-N 469.235 2.869 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 59384204 CCAJONMXZFZHMC-HLQTZPMBSA-N 453.568 2.713 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 206430790 DQQWQGTZEPHCMP-YVLHZVERSA-N 470.478 2.610 50 10 JFGE CCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)[C@H](CCSC)NC(=O)c1ccccc1 252617401 KSAHJLVEHSWVAA-FQEVSTJZSA-N 466.563 2.717 50 10 JFGE C[C@H](Br)CN(C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965329 PYDCSZPMIYSDSC-ZDUSSCGKSA-N 457.390 2.886 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1[N+](=O)[O-] 1860771519 ZAUDRCSPVYYNKE-VXGBXAGGSA-N 485.522 2.522 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(F)c([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 1865852269 QQTADDBBPNTMMD-UHFFFAOYSA-N 481.465 2.942 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CNS(=O)(=O)CI)CCC[C@@H]12 1983326993 HPKAUDLJNQPBOH-DOMZBBRYSA-N 458.362 2.868 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@@H]2NS(=O)(=O)CI)C1 1983330863 SUUWYZSIRDPUAZ-SWLSCSKDSA-N 458.362 2.868 50 10 JFGE CN(C)CCn1ncc(Br)c1C[C@H](Br)CN1C(=O)c2ccccc2C1=O 1994843362 YVCTUZJSXWFHAD-LBPRGKRZSA-N 484.192 2.809 50 10 JFGE CC[C@H]1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CN1C(=O)OC(C)(C)C 2106295159 DPQUGNHVQFYNDU-GJZGRUSLSA-N 454.431 2.858 50 10 JFGE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106304466 FTBYQFPJJPLODS-DZGCQCFKSA-N 454.431 2.764 50 10 JFGE O=c1[nH]c2ccc([C@H](Br)c3cc(I)sn3)cc2[nH]c1=O 2176537640 JDUYOMOUVIJGJE-JTQLQIEISA-N 464.082 2.762 50 10 JFGE CO[C@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827683 SVOXZIVMFWWKEW-OAHLLOKOSA-N 475.405 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCOC[C@@H]1CBr 2338853181 VVGRJACYIRFNJB-YJBOKZPZSA-N 487.416 2.562 50 10 JFGE NNC(=O)C12COC(CSc3cc(I)ccc3Br)(C1)C2 2363644582 VHRHIDYJADJBLF-UHFFFAOYSA-N 469.142 2.685 50 10 JFGE CCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608982 XPOIBIPHZLKJPO-CPNJWEJPSA-N 456.495 2.656 50 10 JFGE CCOC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)CC1 217254327 IALRYMDQRITHIG-OWBHPGMISA-N 468.295 2.720 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1OC 254307348 ABLUOROEIJFOCS-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2C1=O 726094598 PADYOSHKNWXJCZ-UHFFFAOYSA-N 492.495 2.791 50 10 JFGE C=CCNC(=S)NNC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1 1463676408 SMPHKCHAYVDWGX-UHFFFAOYSA-N 453.387 2.987 50 10 JFGE CCCCN1C(=O)C(=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1772719653 JCRDBHDXYFMASA-UHFFFAOYSA-N 451.483 2.772 50 10 JFGE O=C(CCCSc1ccccc1)NNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1865757614 LXXXPNPWVNJZTF-UHFFFAOYSA-N 470.507 2.691 50 10 JFGE CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CCN(S(=O)(=O)CI)C1 2007711070 YHWSIVSAXOHRRT-MRXNPFEDSA-N 466.341 2.835 50 10 JFGE CC[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCC(Br)CC1 2106778303 BYVIPPDJGDQJMY-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C[C@H](Br)C(F)(F)F)CC1 2163061928 JAZAITOKDDIDST-STQMWFEESA-N 458.319 2.856 50 10 JFGE CC[C@H]1CN(S(=O)(=O)c2cnn(CCCBr)c2)CCN1Cc1ccccc1 2179787626 RKASIRLHFBZVKW-SFHVURJKSA-N 455.422 2.953 50 10 JFGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13980515 HHHDKVKBRQKXKS-GFCCVEGCSA-N 475.483 2.731 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14770982 NUUPUVKJTRAFKZ-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217167299 YENXCIJVGDRZHF-NXVVXOECSA-N 460.943 2.701 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 263626561 LDJLHSDVDIXSRQ-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE C[C@](CBr)(NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 703957919 JDRQPWMUOFCPNG-LJQANCHMSA-N 451.342 2.512 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 1471691839 VUTPZSHZZHAMCS-UHFFFAOYSA-N 457.556 2.532 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 1860770335 DLDZSDRWMKIEIE-UHFFFAOYSA-N 462.531 2.832 50 10 JFGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533507 QYQJPGBZGQVNKF-SNUQEOBHSA-N 461.353 2.588 50 10 JFGE COC(=O)[C@H](Br)CNC(=O)c1ccc(Br)cc1I 2086147180 KFAJJQMYOKPPEV-MRVPVSSYSA-N 490.917 2.720 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2106299059 UKLGZWGMBWCPGR-KBPBESRZSA-N 452.415 2.516 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CCC2 2133824589 GTIAXWXELHMTLO-LIRRHRJNSA-N 487.391 2.980 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(S(=O)(=O)c1n[nH]cc1CBr)C2 2179867721 ZZUGSFREMKKOCA-OALUTQOASA-N 453.406 2.837 50 10 JFGE Cn1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(CCl)n1 2180000642 VDQHRXJQOSCRDV-GOSISDBHSA-N 452.964 2.629 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204528085 YZEPGHMSFIRQHW-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2COC[C@@]2(CBr)C1 2234560386 WJNKYCSRLFCUQB-IUODEOHRSA-N 450.114 2.704 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CI)[C@@H](C(F)(F)F)C1 2243188573 FKAFOTBRSHFEIY-RKDXNWHRSA-N 472.267 2.629 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2256642091 SFBWCKCEKDQKAP-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE Cc1sc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1C 2283981421 MFGVERSCPKQHKT-IIBYNOLFSA-N 490.431 2.502 50 10 JFGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 33365726 VDKCNZDRYRIVDZ-XLXASQRYSA-N 492.557 2.622 50 10 JFGE O=C(CN1CCN(C/C=C\c2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1 96630320 VLNZQGLLSOALQL-DAXSKMNVSA-N 457.372 2.541 50 10 JFGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)ccc1OC(F)F 915906818 BUFWPHBIEBSQGD-UHFFFAOYSA-N 451.231 2.854 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccccc1O 1084060586 YLFFKBKUUPYYFX-UHFFFAOYSA-N 491.371 2.855 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OCCCC)c(OC)c2)c1 1440546365 OCFOAVKEFRBTFV-UHFFFAOYSA-N 458.536 2.746 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cccc(C(F)(F)F)c1 1860771386 UPEYDIRDVWDNGT-UHFFFAOYSA-N 450.442 2.817 50 10 JFGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1907061281 YSNOEUGJAVVXMZ-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CC[C@@H](Br)CN(CC)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532018 GQTXQTLLDWYHKO-FZKQIMNGSA-N 463.369 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)(F)F 2043170440 CQBWYTJQXULMFW-INIZCTEOSA-N 485.322 2.944 50 10 JFGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027438 BQCFDXYQIPUTRL-IQUTYRLHSA-N 475.380 2.979 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2068352932 ADCSHOIAHLTNHT-GQWAEJPESA-N 469.401 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2117739008 XETYGFIZYOQLMK-LPHOPBHVSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)NC(C)(C)[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2139884855 KVNBNCCBFKIWLF-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@@H]2C1 2289338580 NGVOITWJDOVLNY-FRQCXROJSA-N 454.976 2.501 50 10 JFGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 2297471330 CDAGCNNJBNAZIK-OALUTQOASA-N 490.994 2.727 50 10 JFGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 2297487243 WBVQBUSLIMELKE-SANMLTNESA-N 491.548 2.710 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325302593 DQFTVAHVHKFDRE-BMYCAMMWSA-N 473.364 2.588 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)cc2)c(Br)c1 14656352 OCVDXCYKGRIEQL-UHFFFAOYSA-N 451.317 2.877 50 10 JFGE C[C@@H](NS(=O)(=O)c1cc(NC(=O)CCl)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 34919906 IBXYUGHHJRBNON-OAHLLOKOSA-N 479.002 2.605 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1ccc(Br)c(I)c1 300886473 BKZCCHHCTFFXFL-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)C(=NNC(=O)c4cc5cc(F)ccc5[nH]4)[C@H]23)cc1 575118853 NFOVOJOJPSUICL-NNTZPNAXSA-N 450.426 2.576 50 10 JFGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCN3CCCS3(=O)=O)c2C)cc1 725761864 XFMHSKKFMZFBPA-HKWRFOASSA-N 456.568 2.552 50 10 JFGE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 727605206 CLWQFDHBHWHKMC-UHFFFAOYSA-N 480.009 2.561 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccccc2OC)cc1 920847512 FQSBFDAMDZNKSI-CPNJWEJPSA-N 459.506 2.666 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(O)cc2)Cc2ccccc2)cc1 1084373251 ZLNAJJOGBXNTAC-UHFFFAOYSA-N 453.520 2.742 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1 1084474269 WWZWDMBJAZOSCB-UHFFFAOYSA-N 474.517 2.522 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860770473 JUHSXTDQJVEYCD-NSHDSACASA-N 466.972 2.561 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771983 NRRXRASDEDAJEH-CABCVRRESA-N 468.579 2.933 50 10 JFGE CCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962838 XHMVWQDTTFUYFM-OALUTQOASA-N 465.554 2.605 50 10 JFGE C[C@@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCOCC1 2066646193 UFXYBIFWHLLGJD-YJBOKZPZSA-N 468.376 2.928 50 10 JFGE C[C@@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128879055 WFPBGXKBXWZVNP-CVEARBPZSA-N 487.416 2.657 50 10 JFGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)N1CCC(Cl)CC1 2217282420 YGPKPMLNGSBZHN-UHFFFAOYSA-N 464.031 2.995 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(N(CC)CC)cc2OC)c(OC)c1 2297708866 YKIXTNUWPQLUKK-UHFFFAOYSA-N 496.612 2.997 50 10 JFGE COC[C@](C)(CBr)N(C)C(=O)c1c(Br)c(Br)nn1C 2338862881 ZPQYVVZMAGYIMU-NSHDSACASA-N 461.980 2.817 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 9822102 XMZAZONVVBDSJR-UHFFFAOYSA-N 472.567 2.646 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986900 VKGCMDIHNJEILR-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1 14027389 YOCJBPOKNOIFLW-UHFFFAOYSA-N 482.274 2.616 50 10 JFGE CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C/Nc1cc(C(=O)O)ccc1Cl 102676047 MXKMVFPFZNKJBL-FOWTUZBSSA-N 456.886 2.555 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)NCCc1ccccc1 1084549515 FBEUGQIZHGYNTA-UHFFFAOYSA-N 472.545 2.581 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1C 1860772015 OLTQLGHMGUBBBK-OAHLLOKOSA-N 454.552 2.741 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757255 UOGVSUNZEWNDCB-HNNXBMFYSA-N 458.474 2.511 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)cc1 1865844917 DQBOVPXUFAJAAV-UHFFFAOYSA-N 499.593 2.886 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC1CC1)S(=O)(=O)CI 1983327702 PHTGCEJLGPINHW-ZDUSSCGKSA-N 458.362 2.820 50 10 JFGE Cn1cc(Br)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)n1 2303542399 DAYHCEZVVUUXES-ZDUSSCGKSA-N 481.210 2.831 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H]2F 2358237170 GDXJVKBZFYTQNW-CBBWQLFWSA-N 470.405 2.559 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772747635 NHQLWBWWPFIDRE-UHFFFAOYSA-N 484.509 2.821 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860771085 IWWVZOJKTYQKMH-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)C1 1860771327 QRKOVCXFYPOQSC-QWHCGFSZSA-N 478.530 2.711 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@]2(CCCO2)C1 1924211263 BWKUEWHBBZZHDT-VFNWGFHPSA-N 454.976 2.501 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CC1CC1)S(=O)(=O)CI 1983327701 PHTGCEJLGPINHW-CYBMUJFWSA-N 458.362 2.820 50 10 JFGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3cc(I)cc4c3OCC4)[C@@H]2C1 2174594688 QJMLTOIQEHPYLL-RNJOBUHISA-N 469.138 2.953 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179819639 NZDPBTDVMKTJAE-IAGOWNOFSA-N 453.406 2.756 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185515032 RVOXAYVFQUTGRI-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccccc32)cc1 2293972456 VXWXEJHHKNWHGF-UHFFFAOYSA-N 453.502 2.996 50 10 JFGE C=CCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731378 SJQNCQGRNGHRCS-UHFFFAOYSA-N 468.561 2.534 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C[C@@]1(CBr)CC1(F)F 2379982544 ZLYDYOVDTUSUGR-INIZCTEOSA-N 452.340 2.608 50 10 JFGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 20075712 FPTZCEWHXRFJLC-DHRITJCHSA-N 480.433 2.686 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C 254379986 BTPZAKWTXZVHIS-OAHLLOKOSA-N 489.540 2.533 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)[C@@H](CBr)C1 699524065 PRARHPDTIGWZSY-JTQLQIEISA-N 491.043 2.911 50 10 JFGE Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2C)cc1Cl 728846348 XASHRCNDZKSKLQ-UHFFFAOYSA-N 481.988 2.847 50 10 JFGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 916247602 MAUSJXVUFAUBSV-UHFFFAOYSA-N 482.356 2.746 50 10 JFGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1873792574 LDOKXCGDQLHKOR-LGJNPRDNSA-N 460.421 2.611 50 10 JFGE CC1(C)C[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050618243 JVHRPMUYPOAQAD-YJYMSZOUSA-N 475.380 2.979 50 10 JFGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1CC(=O)[C@H](O)CCC)C(=O)OC3=O 2080454822 RVVQSAOUUWAZQS-CMUXOPAVSA-N 474.550 2.901 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)ccc1Br 2121339013 WUPUAZFVFBTPLR-VHSXEESVSA-N 475.984 2.502 50 10 JFGE CN(CC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cnn(CCBr)c1 2179814408 BQOXDZQUQIKZBZ-UHFFFAOYSA-N 455.422 2.811 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)s1 2256599559 WUDCEHMHKODJLX-UHFFFAOYSA-N 460.405 2.912 50 10 JFGE CO[C@@H]1C[C@H](NC(=O)c2c(Br)c(Br)nn2C)C[C@H]1Br 2338688445 JTGFVOVPOYEILB-FSDSQADBSA-N 459.964 2.616 50 10 JFGE COc1ccc(CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 12503588 GFHIDKLLRYRNNS-UHFFFAOYSA-N 462.959 2.640 50 10 JFGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1OCC(N)=O 96669648 MDQXQWAYANCYQR-BOPFTXTBSA-N 484.940 2.985 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc2c(c1)OCO2 254827200 KXOXWRWBJPTEIK-UHFFFAOYSA-N 492.521 2.716 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)COCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 729833383 GXMSQEAPRVZOLF-UHFFFAOYSA-N 482.581 2.520 50 10 JFGE CCCNC(=O)CN1C(=O)C(=NNC(=O)CSCc2ccccc2Cl)c2ccccc21 1084191275 IFZINFLSAQTNHO-UHFFFAOYSA-N 458.971 2.967 50 10 JFGE C=CCO[C@@H]1CCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1546131470 BINXXZUNUHDBBZ-MJLBXUHQSA-N 453.930 2.789 50 10 JFGE C#C[C@@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1627413970 ATFRHUIDUAWMOQ-HVQRGMKJSA-N 453.502 2.832 50 10 JFGE Cc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772720792 YKYCZCBBXMVBRC-UHFFFAOYSA-N 457.328 2.763 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746942 JGBCCMXBVZBGRX-UHFFFAOYSA-N 493.476 2.872 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852048 ODEDMKHCTJHZQP-OAHLLOKOSA-N 482.562 2.689 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](CBr)C1 1942099909 XUJDHTBWNXVFBG-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(F)CC[C@@H](CBr)CC1 2058309567 ORZFMTDTTLWNHC-DHFPXDALSA-N 475.380 2.886 50 10 JFGE C[C@@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2128879057 WFPBGXKBXWZVNP-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1csc(Br)c1Br 2314188310 KRCJSFIREFDZCY-UHFFFAOYSA-N 484.029 2.813 50 10 JFGE COc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2317464172 OKZAOZBSEVFUDA-UHFFFAOYSA-N 474.322 2.632 50 10 JFGE COc1ccc2c(c1)c(C=NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c(C(=O)O)n2C 2321721587 PHQGNIFAHBNULM-CQSZACIVSA-N 458.515 2.982 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12572634 SMRRUVDUQLSFPQ-UHFFFAOYSA-N 499.549 2.828 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1OC 13977371 KYBDDKSEXIVYJL-CSKARUKUSA-N 490.969 2.811 50 10 JFGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 58990771 SCSZXLFTQFNUPG-LPYMAVHISA-N 484.498 2.888 50 10 JFGE COc1ccc(C(=O)NNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)cc1OC 96508116 WZDCXUDLSRIKLQ-JMIUGGIZSA-N 482.537 2.690 50 10 JFGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@H](CO)[C@H]1O 504544082 XZQPQOSSEMTXOW-KLSTYFJDSA-N 485.617 2.720 50 10 JFGE CC(=NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(S(N)(=O)=O)cc1 916322385 PYJAIWDLYONHCR-UHFFFAOYSA-N 460.519 2.736 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 2029212288 HGEWZYCMYYCWRR-HNNXBMFYSA-N 469.401 2.890 50 10 JFGE C[C@@H]1C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CNC(=O)OC(C)(C)C 2163058673 MMGGREUQUYXNNE-KFWWJZLASA-N 468.458 2.962 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2ccc(B(O)O)c(C(F)(F)F)c2)C1 2281586376 WOTKTBBYTHEQSC-UHFFFAOYSA-N 478.276 2.647 50 10 JFGE O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464504 VPDFSCBAMWQPGU-UHFFFAOYSA-N 474.429 2.950 50 10 JFGE COCCCn1c(=S)[nH]c2cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)ccc2c1=O 10736932 IRNZJPWLUOBEBL-UHFFFAOYSA-N 465.535 2.662 50 10 JFGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12570607 OBFLJHFKMWTVFY-UHFFFAOYSA-N 450.344 2.518 50 10 JFGE O=C(CNC(=O)c1ccco1)NNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727712800 NVELGYBGYFFJCP-UHFFFAOYSA-N 463.425 2.690 50 10 JFGE CC(/C=C\c1ccccc1)=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084501999 RQRJEQUOBSPKLM-LBEGSWMLSA-N 482.482 2.773 50 10 JFGE C=CCCSCCNC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1682528980 HQQSFUXIQGHQKF-UHFFFAOYSA-N 451.556 2.642 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860772079 QBUVUNOKDWEQIF-XJKSGUPXSA-N 468.579 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CCC2)[C@@H](CBr)C1 2034215194 BNPQLAXIYNHQKY-HNNXBMFYSA-N 469.401 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@@H]1CCBr 2338853415 XHMFHMHRJIBDOO-INIZCTEOSA-N 487.416 2.659 50 10 JFGE Cn1nc(Br)c(Br)c1CNS(=O)(=O)CCC(CCl)CCl 2364431107 YDDHKXUMTADLRN-UHFFFAOYSA-N 472.030 2.848 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc(OC)ccc2OC)sc2c1CCCC2 254566144 FLNTYAWJCSDZOB-UHFFFAOYSA-N 459.524 2.910 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 263626921 DTYWRTNWJVBPAA-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE NNC(=O)CSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1-c1ccccc1 606655748 JWZPNEYFDCTTNN-UHFFFAOYSA-N 456.531 2.866 50 10 JFGE O=C(CCc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084142581 RGKXYOTZZGPESS-UHFFFAOYSA-N 466.497 2.783 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1 1637295014 IPIXXZNZYLTILF-GCJKJVERSA-N 454.552 2.715 50 10 JFGE C#Cc1cccc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 1686786175 IPAZIBSQWMEHGT-UHFFFAOYSA-N 451.486 2.570 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@@H]3CCCO3)cc2)cc1 1858992087 RUSMVGZUZNYTHR-IBGZPJMESA-N 474.564 2.608 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1860771371 SWMVTZROMWKSRF-NWDGAFQWSA-N 485.522 2.522 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CC1 1922693221 GOPAAUVEKJWPML-SHTZXODSSA-N 457.390 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(COCCBr)CC1 2111102780 ZZZLFKAVWLZNSG-UHFFFAOYSA-N 487.416 2.516 50 10 JFGE CCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 2314620974 XPOIBIPHZLKJPO-UHFFFAOYSA-N 456.495 2.656 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC2(CC[C@@H](CBr)O2)C1 2361879752 QBYUQXFUISQOGD-JTQLQIEISA-N 452.086 2.765 50 10 JFGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3CS(=O)(=O)C[C@H]32)C1 2371131124 ILIVXDARAHJQHH-HUUCEWRRSA-N 465.454 2.906 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2OC)cc1I 14006658 ICORIXWZQJTMNY-NSHDSACASA-N 470.263 2.537 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC 14031758 QWUVZDKKJDVHOS-CQSZACIVSA-N 483.546 2.969 50 10 JFGE N#C/C(=C/NCCc1ccccc1Br)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216950921 HJQDGRZFJXEYCL-OWBHPGMISA-N 450.314 2.874 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1ccc(I)c(Br)c1 300916687 VHYYKDHWWRBGBP-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727308457 KJSNGIHQUNPRSR-UHFFFAOYSA-N 452.555 2.739 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 915907171 DJDNYFVKTWAFIS-UHFFFAOYSA-N 455.526 2.585 50 10 JFGE C#C[C@@H](CC)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1467769934 HFZBDFXEQVXSQK-RXBGNRNISA-N 454.328 2.623 50 10 JFGE C=C[C@H](C)ONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1644295647 DJEYIWNCHXIJOB-GRRFOWRYSA-N 458.316 2.717 50 10 JFGE COc1cc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc([N+](=O)[O-])c1O 1860773437 ZXSMTBBTNCMNQK-VROXFSQNSA-N 479.474 2.898 50 10 JFGE COc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 1866126613 CCESAGXWBCAFJY-FOWTUZBSSA-N 461.927 2.915 50 10 JFGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(N)=O)c1C 1866215402 UXTOMQBTOPROKX-RVDMUPIBSA-N 457.508 2.903 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 1885845228 DBPKDCSYDOFHHE-JSGCOSHPSA-N 454.431 2.620 50 10 JFGE C[C@H](CCCl)C(=O)Nc1c(I)ncnc1I 1985800450 GHAXLTAIWGIKKG-RXMQYKEDSA-N 465.460 2.889 50 10 JFGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022274 IPGUPWZVWIICTJ-ORAYPTAESA-N 475.380 2.836 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 2046023259 QUNXYKILRAIUQF-VLXJIEOASA-N 475.380 2.692 50 10 JFGE CC(C)(C)OC(=O)N1CC([C@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163053126 KSNBKWWERWUBCG-AWEZNQCLSA-N 466.442 2.669 50 10 JFGE Cc1sc(C(=O)O)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181750453 IBWOODYUZRJSNH-UHFFFAOYSA-N 456.633 2.939 50 10 JFGE N=c1nc(CCCl)[nH]c(=Nc2ccc(Br)cc2I)[nH]1 2231665848 YZQODTIOVCKRSZ-UHFFFAOYSA-N 454.497 2.598 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2364228288 KUHIKPMZNPWBKO-JVXZTZIISA-N 471.975 2.714 50 10 JFGE NNC(=O)[C@H]1CC[C@@H](COCc2ccc(I)c(Br)c2)C1 2377632636 CVKKIBNXPYYJRV-KOLCDFICSA-N 453.118 2.977 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@]2(CBr)CC2(F)F)C1 2379982480 ZFGRBRZPYGIHMJ-GUYCJALGSA-N 454.356 2.760 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 16270767 OKDLYCYACJANRD-ZDUSSCGKSA-N 467.751 2.754 50 10 JFGE O=C(N/N=C\c1cccc(Cl)c1Cl)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891848 ADQZLZJGTAMCDZ-FGJCKKKHSA-N 450.307 2.749 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC[C@@H]1CCCO1 725438057 WAJZNHAPZFOFTF-KRWDZBQOSA-N 493.347 2.756 50 10 JFGE O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 1321635419 YHBVGGMEPLMTIF-UHFFFAOYSA-N 479.106 2.743 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(C)o2)c1 1651317237 DFIJAXQOOGNVNY-UHFFFAOYSA-N 458.499 2.997 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117559 PDLONFFAYYMWAX-XLWVJDPXSA-N 461.353 2.588 50 10 JFGE CN(CC(=O)NNC(=O)C=Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 2042446242 KGXMEMWMHZKZOM-UHFFFAOYSA-N 486.775 2.584 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CCBr)C1 2046027352 BFCBZZBNFFKZNQ-IFXJQAMLSA-N 475.380 2.838 50 10 JFGE C[C@H](CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCOCC1 2066646192 UFXYBIFWHLLGJD-QAPCUYQASA-N 468.376 2.928 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2256641513 WWHFBQAWQRDSQP-RUZDIDTESA-N 472.350 2.546 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2268606881 BZZFPFCYQWKIFF-VWLOTQADSA-N 484.361 2.819 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@H]2OCC[C@]2(CBr)C1 2296377664 KAMJDSPDSKXHNZ-OCCSQVGLSA-N 452.086 2.623 50 10 JFGE CCn1nc(C(=O)NNC(=O)[C@H](C(C)C)n2cnc3cc(F)c(F)cc32)c2ccccc2c1=O 109495848 FFMWVPZDPQDRMX-FQEVSTJZSA-N 468.464 2.703 50 10 JFGE O=C(NCCN1CCC(Br)CC1)c1ccc(I)c(O)c1 321536549 SZNNKHQKJYIXBF-UHFFFAOYSA-N 453.118 2.586 50 10 JFGE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)c4cccc5cccnc45)CC3)cc2NC1=O 727477651 LZTCAQPRLKCZIM-OAHLLOKOSA-N 487.516 2.904 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)cc1 1084640568 LMENZYMFIQEIBS-UHFFFAOYSA-N 451.273 2.869 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 1672639896 XBUMHJORARYUEU-GOSISDBHSA-N 453.543 2.570 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cccc1[N+](=O)[O-] 1860771719 FTYFRBJXLKSDPD-LBPRGKRZSA-N 455.496 2.576 50 10 JFGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 1865852464 XZLSYRQPNXQLHU-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1866131726 KQFHGJQIWIOADR-JNMQVBFRSA-N 493.317 2.756 50 10 JFGE O=S(=O)(C[C@@H](Br)c1cc(I)sn1)N1CCCCC1 2056487655 NFYXSYNZHFJEKA-MRVPVSSYSA-N 465.176 2.999 50 10 JFGE C[C@@]1(CCBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2068154275 FJBLNOXZIACXAJ-RTBURBONSA-N 475.380 2.838 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106301325 IBSXRRNILWAXGQ-NHAGDIPZSA-N 454.431 2.572 50 10 JFGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305010 KYHDGZGENXSZSS-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE C[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2115834114 XKLMIEKELNZWLX-ZIAGYGMSSA-N 454.431 2.716 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2140563290 HBFSCIBJPJPJKF-DWXRJYCRSA-N 486.377 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)Cc1ccccc1 2164503778 WVNPXJFPJBQAED-IERDGZPVSA-N 452.935 2.780 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2cc(I)ccc2O)CC1 2170216229 OFPXDXMHXUPQLB-SNVBAGLBSA-N 453.118 2.538 50 10 JFGE O=C(Cc1ccccc1I)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201779118 NTJQMLICWWYOSG-SWLSCSKDSA-N 450.114 2.989 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1 2328793521 WWHVNTGYKQSITP-UHFFFAOYSA-N 493.472 2.916 50 10 JFGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@](C)(B(O)O)C2)c1 2342477984 QPYRKKOBUFSMTM-KRWDZBQOSA-N 474.104 2.717 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNS(=O)(=O)c1ccccc1 12492373 XSUBGLAHCLUXKX-UHFFFAOYSA-N 464.135 2.600 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 13976607 BMNNENJXEWDCPZ-BJMVGYQFSA-N 464.341 2.815 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1Br 14038004 IRWUPEAZBLFADK-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59165553 MQDYJDIJRTZBDT-YYDJUVGSSA-N 475.417 2.949 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 254340863 GQSGPNQRQUKLFU-UHFFFAOYSA-N 479.482 2.505 50 10 JFGE CCSc1nc(O)c2[n+](n1)[C@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 261365086 PWUYVBCNSMRANW-OAQYLSRUSA-O 482.498 2.996 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1 1084145521 YXKKXRQZPWTVFJ-UHFFFAOYSA-N 481.530 2.966 50 10 JFGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3cccs3)c(=O)c2c1-c1ccccc1 1860770385 GQIBYMKQBLAZPW-UHFFFAOYSA-N 460.562 2.505 50 10 JFGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)CC1=O 1865757903 ZSIALHOUBFDYOM-MRXNPFEDSA-N 464.551 2.593 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2COCCOC2)C1 2024294569 UUKNAPDKCMSTAM-QGZVFWFLSA-N 455.333 2.871 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2112863572 JYSWVVOEYIOWEB-XHSDSOJGSA-N 451.427 2.516 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CCl)C[C@H]1C(F)(F)F 2192580555 HSYIVWWHPVWWIC-XOKHGSTOSA-N 470.872 2.738 50 10 JFGE CC(C)(C)OC(=O)NCc1c(Cl)cccc1Nc1ncc(Br)cc1B(O)O 2283885599 ZSNWACOXRVFOOG-UHFFFAOYSA-N 456.533 2.946 50 10 JFGE COC[C@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1O 2379851515 JKHCYBKQQYZAQC-CQSZACIVSA-N 452.086 2.789 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1 10276529 FUCJGHOONQDGNA-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13977163 FRKFNFFHMACSDH-UHFFFAOYSA-N 497.358 2.877 50 10 JFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 14040765 QEHSPPJPJZVLOJ-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE CCOC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1cccc2ccccc12 27569684 FWQGMPAHWPXYQJ-UHFFFAOYSA-N 459.505 2.641 50 10 JFGE Cc1ccc(/C=C2/SC(=S)N(CC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 35638367 HTOXXLKJIRQQOH-GZTJUZNOSA-N 461.590 2.514 50 10 JFGE Cc1ncc(CCl)c(-n2cnc(I)c2I)n1 380876008 QMLKMOBKXSVHRO-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE CC(=NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 747615279 SNHGLPOODAOIGL-DEOSSOPVSA-N 462.575 2.801 50 10 JFGE C=C/C=C\CCNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1248370801 JGWJDVJEJBCQMF-WAYWQWQTSA-N 456.568 2.892 50 10 JFGE C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1665700770 GHLCWGYJIGUMJF-LJQANCHMSA-N 451.612 2.663 50 10 JFGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N(C)C 1858081902 OZLUFNJVPDSYAL-UHFFFAOYSA-N 476.555 2.667 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCS[C@H](CCBr)C1 1942097813 JRQBPUZGEYEDAL-CQSZACIVSA-N 475.430 2.595 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@@H](O)[C@@H](O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080453570 OUJYNPNQUGYAMJ-UYBQJGTCSA-N 476.566 2.693 50 10 JFGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268609165 KIXREYFNEPYRJJ-VWLOTQADSA-N 488.349 2.877 50 10 JFGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC(B(O)O)CC2)c1 2270382021 SKQWUVCPTWNBBU-UHFFFAOYSA-N 474.104 2.717 50 10 JFGE CC(C)(CI)CN1CCOC[C@@]2(COCCN2C(=O)OC(C)(C)C)C1 2326669927 REEAAYRVPCYFKO-GOSISDBHSA-N 468.376 2.786 50 10 JFGE CCOCCOc1ccccc1C(=O)NNC(=O)c1ccccc1I 9825389 LAAMUVWQQVYEJI-UHFFFAOYSA-N 454.264 2.781 50 10 JFGE COc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc(OC)c1OC 12488542 KARPLMVLALVVFA-UHFFFAOYSA-N 453.289 2.623 50 10 JFGE C[C@@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 102011304 FBAVDHCJNXHYSN-LBUZSKGWSA-N 460.357 2.891 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccccc1O 254771243 UXJHVXOCLIXZLG-UHFFFAOYSA-N 495.557 2.547 50 10 JFGE ClCc1nnc(-n2cnc(I)c2I)s1 307592480 FFIALRIGVJLGDC-UHFFFAOYSA-N 452.446 2.672 50 10 JFGE COc1cccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1O 1084063387 RHOUHODRQGNBJV-UHFFFAOYSA-N 467.547 2.785 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 1622759017 XGVNPTWCRCIBDD-FOIQADDNSA-N 454.483 2.627 50 10 JFGE C#CCc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887519199 REJCDGZCFGDQNP-UHFFFAOYSA-N 480.373 2.922 50 10 JFGE CC(C)[C@@H](CI)NC(=O)c1cc(I)sn1 1909914596 JJSBSYXLVJTHKB-SSDOTTSWSA-N 450.083 2.937 50 10 JFGE C[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 1942097829 JWXDIECDOQMZJE-CQSZACIVSA-N 457.390 2.936 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2046459452 DTVRZYJNPZQKIC-MAUKXSAKSA-N 473.364 2.590 50 10 JFGE CN(C)[S@](=O)(=NC[C@@H](CBr)C1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106782893 VAVWDPWDGXTHKT-PVPMGCCUSA-N 453.447 2.820 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCO1 2162589487 QXZSAXLKLSSFGW-HUUCEWRRSA-N 463.394 2.932 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)CC[C@@H]2C1 2163051181 QROKUZFKBJBHPI-HUUCEWRRSA-N 466.442 2.669 50 10 JFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1O 2323652192 WDVXHFWUHUIPDU-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE COC[C@@](C)(CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845026 MBOHKGFSVDTXTI-HXUWFJFHSA-N 489.432 2.905 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1C 12570842 NXDICNCJRIWSSD-UHFFFAOYSA-N 467.345 2.713 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629863 IDOQRXKFFBTUBF-RYUDHWBXSA-N 484.734 2.659 50 10 JFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)c1 13979222 BAOKMZUWISSMLC-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 254486997 WOAFTQGKYKYZJR-UHFFFAOYSA-N 499.447 2.733 50 10 JFGE CCC(=NNC(=O)COc1ccc(OC)cc1)C(CC)=NNC(=O)COc1ccc(OC)cc1 254617284 LRDPVNHBDNJTJY-UHFFFAOYSA-N 470.526 2.926 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccn2)cc1)Nc1cccc(Cl)c1 1083992606 YYOLNZWXAXNDBM-UHFFFAOYSA-N 465.897 2.519 50 10 JFGE CCOC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1OC 1084036705 USRAUTFHAHEQQR-FQEVSTJZSA-N 458.511 3.000 50 10 JFGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1 1084303285 AIAVNZWHQVVOTJ-UHFFFAOYSA-N 451.600 2.866 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2)CC1 1216724500 ZLZTZUFGBGCFBL-OAHLLOKOSA-N 459.934 2.629 50 10 JFGE CC(C)CN1C(=O)C(=NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1772719636 HPIXITWHKTVUSV-UHFFFAOYSA-N 451.483 2.628 50 10 JFGE CCN(CC)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962115 PYLJCRFVGKFNTG-PMACEKPBSA-N 478.597 2.663 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2048821935 GAWBZZSBMFUCKX-VMZNBEPHSA-N 469.401 2.744 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cscn1 2055482566 ZAGKRERAYDWXCZ-SUMWQHHRSA-N 490.376 2.523 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCCCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106781762 KXGFGDXAQKZDSZ-HNNXBMFYSA-N 454.431 2.860 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2140539565 PAHUOXQJHDRELT-AREMUKBSSA-N 486.377 2.588 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163051361 SKNRGOVDUFDLRZ-SFHVURJKSA-N 463.394 2.622 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@H]1C 2179861290 FORIHQVEXDKJDZ-OAHLLOKOSA-N 455.422 2.790 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2179868201 HGZMFPWUQDWHBG-FUHWJXTLSA-N 453.406 2.980 50 10 JFGE CN1CCN(C(=O)c2cc(I)ccc2F)[C@H](CCBr)C1 2202834965 PFIOYCPZMDLFPK-LLVKDONJSA-N 455.109 2.972 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CCCCCI)C2 2220219046 WVTHCBZIZAXAAD-SFHVURJKSA-N 468.376 2.930 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2256641616 WXGSVSLIABOJKG-RUZDIDTESA-N 472.350 2.546 50 10 JFGE Cc1cc(I)cc(C)c1OCC(=O)NN=C1C(=O)N(C)c2ccccc21 2297708171 LLWKTEQOPSRCDU-UHFFFAOYSA-N 463.275 2.784 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2318792677 GMAZKHSLWNIABE-AWEZNQCLSA-N 482.562 2.776 50 10 JFGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CCCC3 2325885146 FZYJNJJZSZIZGE-ZDUSSCGKSA-N 467.507 2.667 50 10 JFGE Cc1c(C(=O)NCC(F)(F)C(F)(F)CI)c(Br)nn1C 2361678501 ATAYNPZKCUKEKL-UHFFFAOYSA-N 472.018 2.926 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2c1 10736653 JPWASJXELVNBPZ-UHFFFAOYSA-N 495.561 2.537 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2C)c(Br)c1 12571083 YNLGXQXNCJHWMN-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623251 UDHHIVABPGWSIS-OAHLLOKOSA-N 460.328 2.658 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 13976789 HBJXBNDCCGUQGD-UHFFFAOYSA-N 456.568 2.685 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40658078 ZUAWSAFGFUEKOE-UHFFFAOYSA-N 467.398 2.604 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826177 PRBLJYKWTYXMBL-JJIBRWJFSA-N 488.497 2.722 50 10 JFGE CC(C)[C@@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)n1cnc2cc(F)c(F)cc21 109536583 IACHYSYPLWBESW-FQEVSTJZSA-N 454.437 2.864 50 10 JFGE COc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(OC)c1 730683444 YDNBNNZEYKRTJN-AWEZNQCLSA-N 460.506 2.509 50 10 JFGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1564957912 JBRXTGIGDJWASZ-LPHOPBHVSA-N 451.593 2.690 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747922 GTOOSHGJPJGGJJ-UHFFFAOYSA-N 489.488 2.970 50 10 JFGE CC1([C@H](CBr)NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 1945362618 SFHBUPQDDJBKRU-INIZCTEOSA-N 457.390 2.936 50 10 JFGE COC(=O)[C@H](Br)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955894068 OZSSHENCOVZXQG-CYBMUJFWSA-N 466.373 2.628 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)C2(CCCC2)C1 2054783919 VFSZAQJGUWLHJS-OAHLLOKOSA-N 469.401 2.890 50 10 JFGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CC1 2163057111 YIEYVMFRQCGDBG-AREMUKBSSA-N 488.470 2.588 50 10 JFGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248896598 USLLJGKPLRUAMQ-INIZCTEOSA-N 478.379 2.876 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C2(CCOCC2)C1 2306805552 UUHVUUVFHXQFSG-UHFFFAOYSA-N 454.349 2.540 50 10 JFGE O=C(NC[C@@H]1Cc2ccccc2CN1CCOCCI)C(F)(F)F 2326654994 UFTGNMYDABFEAK-AWEZNQCLSA-N 456.246 2.543 50 10 JFGE CC[C@]1(CCl)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364213457 HCNCFMCGQQEOIL-NRFANRHFSA-N 456.992 2.893 50 10 JFGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016340 SZSILHXYPSBPIT-UHFFFAOYSA-N 484.578 2.627 50 10 JFGE CC[C@@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(CC(=O)NNC(C)=O)C1=O 40603727 CLZFMROZSOYNKF-SFHVURJKSA-N 451.508 2.543 50 10 JFGE COc1ccc(CCC(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)c(O)c1 59155560 UMNKWMWOKARDCF-SOYKGTTHSA-N 450.539 2.686 50 10 JFGE O=C(O)COc1ccc(/C=N/NC(=O)COc2ccccc2I)cc1Cl 59678939 HDTRYXYPCMXGEC-DNTJNYDQSA-N 488.665 2.937 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 1084430138 XSXXJSFPUBAHEQ-UHFFFAOYSA-N 491.460 2.710 50 10 JFGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865708469 AEFJHKZYWGKXRB-QFIPXVFZSA-N 453.543 2.983 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@@H]1CCCO1 1926746660 QXPPKECVPWNHBT-GJZGRUSLSA-N 487.416 2.561 50 10 JFGE C[C@@H](Cl)CC(=O)Nc1c(I)ncnc1I 1974850527 AEEFUFWPYCCDLT-SCSAIBSYSA-N 451.433 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 2033537125 IFUJEBRROGBFLM-QGTPRVQTSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162601207 LBQIPDRYJFWLSS-HNNXBMFYSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CI)C(F)(F)CC1 2243782785 MSNGYCAFOGIKLW-SNVBAGLBSA-N 468.304 2.723 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314795729 KKYRBUKBUVKDAU-UHFFFAOYSA-N 466.490 2.844 50 10 JFGE NNC(=O)[C@@H]1C[C@H]1CCCOCc1ccc(I)c(Br)c1 2377632972 JBJNSEPXMZSHTL-GHMZBOCLSA-N 453.118 2.977 50 10 JFGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623602 KBSIVFQQWDIGAN-LPHOPBHVSA-N 468.579 2.548 50 10 JFGE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1O 33370883 WRAODWNJUBLCPH-WOJGMQOQSA-N 485.543 2.564 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3C)c2N)cc1 40759476 XSKJUKWGBYDTDA-UHFFFAOYSA-N 469.571 2.898 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 207162479 DLNAEEPGGSLPAQ-UYRXBGFRSA-N 468.506 2.920 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 217173040 QUUUJHZZCOIWDQ-CPZHOGDASA-N 467.478 2.974 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NCc2cccnc2N2CCOCC2)c(-c2ccccc2)n1 914471531 HLSPAJOUYQSZMY-CJLVFECKSA-N 467.533 2.919 50 10 JFGE Cn1cccc1/C=N/NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 1615016769 HVVKACFXIYXKCX-RFJSCJPRSA-N 459.543 2.720 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCCOc1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772239 WEFYTMVWSGCLQQ-HNNXBMFYSA-N 454.552 2.904 50 10 JFGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)CC1=O 1865757902 ZSIALHOUBFDYOM-INIZCTEOSA-N 464.551 2.593 50 10 JFGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851394 APBKWOGNZSZNAD-INIZCTEOSA-N 468.579 2.898 50 10 JFGE C[C@@H](Br)[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096810 DITOPXLKPSGKRI-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CN([C@H](CNC(=O)OC(C)(C)C)c1ccccc1)S(=O)(=O)CI 1991837137 WVHLQLHZPLEKFT-CYBMUJFWSA-N 454.330 2.907 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2020665798 KSUUVZHLFUBFSB-UHFFFAOYSA-N 479.665 2.771 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC[C@@H]1Br 2046029179 OKXCOTVUWHVWMR-AXHNFQJDSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162600302 HZBOTCXSUGHGKL-HNNXBMFYSA-N 463.394 2.743 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163050830 NMVRHHLKNSQXBS-GOEBONIOSA-N 466.442 2.812 50 10 JFGE CN([C@H](CBr)CC1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2219171183 OJKQZXYQMJYYFA-LIRRHRJNSA-N 475.380 2.836 50 10 JFGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccco2)CC1 2296546200 UBUSLNHMVYQJEJ-UHFFFAOYSA-N 489.532 2.599 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 2296546371 WANHRZKSMWQAMH-HSZRJFAPSA-N 498.587 2.532 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1ccc(I)c(Br)c1 2320406749 RVCJGZPUFZBANV-SECBINFHSA-N 490.917 2.720 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 12503058 VRJVVBULRMFDAL-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658449 BSSCWDMEPLIWSJ-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 40813776 PIXHRFZZLDDHEC-NHFJDJAPSA-N 468.554 2.519 50 10 JFGE CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1 59385407 YUVJTOXHPFOYAE-AFEQLLIESA-N 452.536 2.815 50 10 JFGE Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083927793 ZEPSCOLNPHEXDY-UHFFFAOYSA-N 482.496 2.537 50 10 JFGE C=CCNC(=S)NNC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 1618593556 BQSTUDHWVIPIHC-UHFFFAOYSA-N 454.581 2.620 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 1865852381 UOJHAFSSCSSMMB-GFCCVEGCSA-N 455.496 2.576 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2048006276 SVLOODURVWYFMY-BNEJOLLZSA-N 469.401 2.792 50 10 JFGE Cc1cc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2248899782 OQDYYVLTNVHCGH-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2301723992 YRUZQIUBRJBSNS-NPMXOYFQSA-N 478.379 2.922 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1OC 2313617216 PSGCNHBHPPMQEG-UHFFFAOYSA-N 484.578 2.775 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861751 DYNZZRAZFCDTEU-UHFFFAOYSA-N 455.496 2.538 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2316843658 NEPQWPYETRVSNJ-HUUCEWRRSA-N 469.401 2.888 50 10 JFGE O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)ccc1O 3127227 BDVCNHRQXOCTHH-DNTJNYDQSA-N 455.106 2.797 50 10 JFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C 14668672 FWTUKLQKXQUZOP-UHFFFAOYSA-N 496.383 2.959 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1Br 14770993 LEACRNROEVCQIT-UHFFFAOYSA-N 482.356 2.571 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254746112 IUGJFPZAMGVSNQ-UHFFFAOYSA-N 480.521 2.824 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 913257402 FKZHJLIDSLOSHL-MUPHDSPYSA-N 452.486 2.550 50 10 JFGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(I)cc1 1084162894 DPMRAFGCJBMPCE-UHFFFAOYSA-N 485.347 2.906 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cccnc2)nnc1-c1ccc(Br)cc1 1084604160 ZRKIIHYJQGOEIY-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE O=C(CCOCCC(=O)NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O 1088727104 MAJIDQKREZTARN-UHFFFAOYSA-N 467.309 2.802 50 10 JFGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NN(C)C(=S)NC)c1 1625904728 QYPOXUVUAYIIPG-UHFFFAOYSA-N 452.989 2.802 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)CCN(S(=O)(=O)CI)CC2 1983327064 IEFYBUJFYREBCD-UHFFFAOYSA-N 458.362 2.822 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC[C@@H](Br)C1 2000001211 JULVCBOILUBGDG-LSDHHAIUSA-N 457.390 2.936 50 10 JFGE CN(C1CCC(CBr)CC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004261739 QJNQTEYXRYHALK-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE Cn1ncc(Br)c1CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 2143634045 LGDOAYQQAPXPQB-SECBINFHSA-N 493.059 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCOC2(CCN(CCOCCI)CC2)C1 2306796343 JNMBIHGYGRQSHO-UHFFFAOYSA-N 454.349 2.540 50 10 JFGE CCOc1ccc(C=NNC(=O)c2cccn(Cc3ccc(OC)cc3)c2=O)cc1[N+](=O)[O-] 2323656412 VXFWNZXVMZETPH-UHFFFAOYSA-N 450.451 2.976 50 10 JFGE O=C(NNC(=O)c1ccccc1I)c1ccc(OC[C@@H]2CCCO2)cc1 13619568 DVYOGCLFUGAUOF-HNNXBMFYSA-N 466.275 2.924 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 41011743 YNDLEMIJAMBWLB-WOJGMQOQSA-N 482.489 2.706 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 59475343 HXGCYVULCHOOMQ-HZHRSRAPSA-N 491.537 2.798 50 10 JFGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)[C@H]1COc2ccccc2O1 252630680 VDCDUAWYNMSGGZ-GFCCVEGCSA-N 472.089 2.913 50 10 JFGE O=C1NC(=O)[C@H](c2ccc(I)cc2Br)[C@@H]1Br 300897712 JGOVCWILFLGHFI-SFYZADRCSA-N 458.875 2.557 50 10 JFGE CCc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851602 FDUJHFVSHXDIGH-HNNXBMFYSA-N 452.580 2.925 50 10 JFGE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 1904381860 CFUCUIPCUBQRFW-DJJJIMSYSA-N 465.638 2.945 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C[C@H]1c1ccccc1 1908783034 IKMVTKVAFQJJPZ-UONOGXRCSA-N 466.341 2.701 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1(C)C 2103386473 UEIIOVQYQMYCSY-MRXNPFEDSA-N 487.416 2.513 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179819638 NZDPBTDVMKTJAE-DLBZAZTESA-N 453.406 2.756 50 10 JFGE O=C(NCCNC(=O)c1ccc2cc(B(O)O)ccc2c1)OCC1c2ccccc2-c2ccccc21 2267328583 KZRUXXYRCSSTML-UHFFFAOYSA-N 480.329 2.788 50 10 JFGE O=C(NC1(C(=O)NCc2sc(Cl)cc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2303778595 JHNANQSFTKVXBR-UHFFFAOYSA-N 496.781 2.769 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1ccc(Cl)cc1I 2317777849 JCDBCOGSFQHOPM-SECBINFHSA-N 493.466 2.651 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)OC(C)(C)C1 2364230422 MJGBHQLOSXDMNG-ZETCQYMHSA-N 473.991 2.960 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 10041285 SSDYRTZFOMDUIY-JXMROGBWSA-N 478.368 2.880 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OCCOc2ccccc2)cc1 13629769 PBFPVGJNPCGWCZ-LJQANCHMSA-N 463.490 2.547 50 10 JFGE Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)n1 27609765 OJSRAUPPICUHFH-JOCHJYFZSA-N 492.967 2.823 50 10 JFGE Cc1ccccc1NC(=O)COc1cccc(C=NNC(=O)C(=O)NCCc2ccccc2)c1 254705477 HNTUQPYRRFUCNS-UHFFFAOYSA-N 458.518 2.822 50 10 JFGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1cccc(O)c1 725878662 UCVWPSITAOVMHW-UHFFFAOYSA-N 472.589 2.879 50 10 JFGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2s1 725902874 WDFSPANYLNEHFM-UHFFFAOYSA-N 471.520 2.894 50 10 JFGE C#CCCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1556491908 MBGCNVPVOBAKSG-WJDWOHSUSA-N 454.328 2.625 50 10 JFGE CC(C)[C@@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542844 LNEDBWMKOSQNJI-CRAIPNDOSA-N 463.369 2.740 50 10 JFGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cc(I)sn1 2007642966 GRQZSMUDAZMTCW-ZETCQYMHSA-N 453.165 2.855 50 10 JFGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 2106303176 RUHUOKRJQCUONR-OALUTQOASA-N 483.384 2.944 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2364213583 HSKIMJGTBQAXRS-IPELMVKDSA-N 499.427 2.800 50 10 JFGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58989112 RZRDPBFNDKZTQW-OEAKJJBVSA-N 469.527 2.988 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@]1(C)CBr 722981142 SRCNHQSEGGZSJW-IBGZPJMESA-N 457.390 2.888 50 10 JFGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 864006975 WBHUVLUVRNQIBD-UHFFFAOYSA-N 455.208 2.981 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 1084142133 RYIGHCUTVRKGFN-UHFFFAOYSA-N 499.553 2.997 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(O)c1 1084501252 AMSUNOVARXRICZ-UHFFFAOYSA-N 483.598 2.939 50 10 JFGE CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)o1 1628414496 BVCIADPGPWMYGI-UHFFFAOYSA-N 455.492 2.975 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cccc(Br)c4)c(=O)c23)C1 1860769960 NHVORLMGEAQTNK-NSHDSACASA-N 475.368 2.807 50 10 JFGE O=C(NCCCl)c1c[nH]c2c(I)cc(Br)cc2c1=O 1866449638 DDOBSUZDAACBGY-UHFFFAOYSA-N 455.477 2.864 50 10 JFGE Cn1nc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)c(Br)c1Cl 2019461979 URPFEEKWQVZGBV-WHFBIAKZSA-N 450.356 2.819 50 10 JFGE Cn1ncc([C@@H](Br)c2cc(S(C)(=O)=O)cs2)c1I 2032176099 HCJQFAJBVQISRX-SECBINFHSA-N 461.144 2.974 50 10 JFGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2107386494 AVGANZQQNMILJN-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(CBr)cc2)s[nH]1 2130970529 LSBBUKAUFSKZTO-UHFFFAOYSA-N 463.379 2.680 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCCC[C@]2(CBr)C1 2239159479 XPCJUHZFYSNECY-NQIIRXRSSA-N 499.427 2.659 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2269549743 RLJHTDVZLPVABC-QHCPKHFHSA-N 491.328 2.792 50 10 JFGE Cc1cc(OCC(=O)NN=Cc2ccccc2)nc(SCC(=O)NN=Cc2ccccc2)n1 2297510278 KMYNQNYTXKPVLN-UHFFFAOYSA-N 462.535 2.557 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2301665911 ZWXPRFSXUFKUOC-OAQYLSRUSA-N 462.286 2.761 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(OC)c(B(O)O)c1 2317670728 GZDQGPRUMYHJAU-QHCPKHFHSA-N 474.322 2.631 50 10 JFGE CCCCCOc1ccc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1OC 2323665971 CUFNNOMWQRTTES-UHFFFAOYSA-N 453.503 2.721 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369332765 PCEYMYSJDMGLEQ-YJXLLHPSSA-N 456.967 2.928 50 10 JFGE Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 15854443 HZCGTJUYFGKABV-UHFFFAOYSA-N 486.576 2.918 50 10 JFGE O=C(CC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O 33246783 BQEPZHUKOIMUBP-FCRXMADNSA-N 498.131 2.613 50 10 JFGE Cc1cccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 59471821 AHNKZOKAGNWYIA-HPNDGRJYSA-N 452.470 2.772 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 1084352319 DYDDIMSOJBBWPI-UHFFFAOYSA-N 495.557 2.823 50 10 JFGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cn[nH]c2)ccc1Cl 1131738252 QQEXQCNXLGHBPY-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE C=CC[C@]1(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1466584762 NMYIINXPOBLTNZ-JOCHJYFZSA-N 454.568 2.785 50 10 JFGE O=C(c1cc(I)sn1)N1CCC2(CC1)C[C@@H](Br)CO2 2120029944 ADEXNZZFBYGDEQ-MRVPVSSYSA-N 457.131 2.906 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2257382445 RBMILZRUEHEZPB-DEOSSOPVSA-N 492.406 2.998 50 10 JFGE O=C(c1c(F)cccc1I)N1CCN2C[C@@H](Br)C[C@@H]2C1 2282792046 MCZULSABXBTSSS-VHSXEESVSA-N 453.093 2.724 50 10 JFGE NNC(=O)[C@H]1C[C@@H]1CCCOCc1cc(I)ccc1Br 2367268743 NUSONNXZMNYHQO-CABZTGNLSA-N 453.118 2.977 50 10 JFGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc21 10736708 PTHYYTWDTUPEID-UHFFFAOYSA-N 494.617 2.919 50 10 JFGE C/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1 13144763 LMECZZOEXQCTGE-XYGWBWBKSA-N 481.521 2.782 50 10 JFGE O=C(NNC(=O)c1ccccc1I)c1ccc(OC[C@H]2CCCO2)cc1 13619569 DVYOGCLFUGAUOF-OAHLLOKOSA-N 466.275 2.924 50 10 JFGE CCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629876 OKJJTJJYFWUELB-CQSZACIVSA-N 464.316 2.641 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658111 OQCXXOJFNGTEJY-UHFFFAOYSA-N 488.420 2.960 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826181 JQHXYJIWNGMPGU-XIEYBQDHSA-N 484.509 2.821 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)c1 96619748 IHYRKKBCPNWQHN-BENRWUELSA-N 497.520 2.802 50 10 JFGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3cc(OC)ccc3OC)CC2)c1 1084190348 XQTCOPGNNDFLHP-UHFFFAOYSA-N 455.511 2.724 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772048 PHVIJVKJYNBAGV-ZIAGYGMSSA-N 454.552 2.543 50 10 JFGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@H]1NC(=O)OC(C)(C)C 2106775487 YJQTZKBSUQHDKZ-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@@H]2CCCC[C@@H]21 2246603198 PJMXECRMALQASR-VBQJREDUSA-N 455.374 2.640 50 10 JFGE C=CCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2297462111 CLODVDNZJIWGQY-UHFFFAOYSA-N 484.560 2.547 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C(CBr)[C@H]2C1 2316825051 QGBCJRUCECQFQV-QZTJIDSGSA-N 469.401 2.746 50 10 JFGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1 2328808886 LEPLLWHXMXOMQD-UHFFFAOYSA-N 458.474 2.840 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC(NS(=O)(=O)N3CCC(Br)CC3)C[C@H](C2)C1 2365604765 JDLGVDHCCXPVPB-KBPBESRZSA-N 466.442 2.716 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2[N+](=O)[O-])cc1 40657513 CQUBQYXMBWWURN-UHFFFAOYSA-N 451.462 2.916 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109563 GTWZMIGURWJXOC-CFRMEGHHSA-N 475.347 2.585 50 10 JFGE CC#CCCNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1566957706 WFVWUQOYYDHPBS-VBKFSLOCSA-N 454.328 2.625 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1614102483 PCQLHOUVUJEOFE-PIJPRMFZSA-N 481.603 2.874 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1CCC[C@@H]1Br 1913738609 TWKCXRKTADUBSP-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CC[C@]2(CBr)C1 2078143204 NVZOJUORMVEETO-QRWLVFNGSA-N 469.401 2.890 50 10 JFGE C[C@@H](Br)CN1CCCN(C(=O)c2cc(I)sn2)CC1 2120333281 HCIFGHICNOIUBS-SECBINFHSA-N 458.163 2.679 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 2163050455 JYEUHCZQAVHCIV-XJKSGUPXSA-N 463.394 2.884 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179819641 NZDPBTDVMKTJAE-SJORKVTESA-N 453.406 2.756 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2248396913 GKGFCKCTUXPGTG-JKSUJKDBSA-N 478.379 2.875 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2248895661 MNUFAKCJQIPEMH-UHFFFAOYSA-N 479.729 2.671 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2257372067 FFECHXFDDSFETQ-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCCI 2303500092 XNYFLDNYBUUCMT-CQSZACIVSA-N 453.365 2.649 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 2325890081 DHIQUFKSRABDDG-UHFFFAOYSA-N 481.515 2.956 50 10 JFGE COC[C@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338836342 KULXCPYQLPZXGA-HXUWFJFHSA-N 489.432 2.810 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2364197619 NGOLRQIKYSDQTN-HRAATJIYSA-N 499.427 2.659 50 10 JFGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623609 IOLWWEHEJCUNGF-LPHOPBHVSA-N 468.579 2.548 50 10 JFGE CC[C@H]1Oc2ccc(-c3csc(-c4ccccn4)n3)cc2N(CC(=O)NNC(C)=O)C1=O 40603725 CLZFMROZSOYNKF-GOSISDBHSA-N 451.508 2.543 50 10 JFGE C/C(=N\Nc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1)c1ccc(Br)cc1 59880992 INROHMYLMLBHQS-JZOCJUILSA-N 468.381 2.687 50 10 JFGE C/C(=N/NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1sc(N)nc1C 100818888 JYHMOOARKBTFQC-NHDPSOOVSA-N 450.571 2.753 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCO[C@H](CBr)C1 122239753 OSTQZLMLLRMICO-SECBINFHSA-N 478.000 2.996 50 10 JFGE O=S(=O)(C[C@@H](Br)CBr)C[C@@H](Br)CBr 237989442 AJVRMHVZGCHBPN-WDSKDSINSA-N 465.827 2.718 50 10 JFGE COc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)ccc1O 254698190 RLKNTUBROKSPSO-UHFFFAOYSA-N 494.537 2.701 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 761414664 IBNIGWQRFCSMTL-UDWIEESQSA-N 483.484 2.959 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2ccnc(N3CCOCC3)c2)c(-c2ccccc2)n1 914505390 CXIJIGMMBHMKGK-JWGURIENSA-N 467.533 2.919 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1C#N 1083991761 TXDGLHKSEBSRMQ-UHFFFAOYSA-N 487.354 2.691 50 10 JFGE COC(=O)c1cccc(CCNC(=O)c2cnc(C)nc2C2CCN(C(=O)[C@@H](C)Cl)CC2)c1 1857517138 GVUPYNDAZNNWFH-OAHLLOKOSA-N 472.973 2.877 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772024 ORIROUSUKVSMBX-CHWSQXEVSA-N 470.551 2.622 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 1942090125 UNOMFDMAYVQOLT-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2125909047 QBWLMUHFLJZPDN-GJZGRUSLSA-N 452.415 2.564 50 10 JFGE CO[C@@H]1C[C@@H](NC(=O)c2c(Br)c(Br)nn2C)C[C@@H]1Br 2338688446 JTGFVOVPOYEILB-LYFYHCNISA-N 459.964 2.616 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccnc1 40658785 RFJLLLOJBNKITK-UHFFFAOYSA-N 463.241 2.600 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)cc(C(=O)OC)c1 40705816 MJOURJDCBKJRBT-UHFFFAOYSA-N 470.873 2.786 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)sc2c1CCCC2 254742645 NEZMOBSKXVTKGC-UHFFFAOYSA-N 460.468 2.506 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@@H](N)C(=O)O)/C(=C/C(=O)O)C1 504243371 BHQAMABUPJQDIU-FIGCODFJSA-N 489.015 2.823 50 10 JFGE in-vitro C=C(CC)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1623974723 GPADSEOMRXTHMB-UHFFFAOYSA-N 452.330 2.977 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771749 GRSNLYKSJLPMMJ-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE CN(C(C)(C)CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533857 SEYSOTBPHSYJEV-GOSISDBHSA-N 463.369 2.836 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)CC[C@H]1C(F)(F)F 2007710391 UTSXXLYMVYZMFF-NXEZZACHSA-N 486.294 2.734 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CCBr 2046026759 UXMUGAUCMKTDAX-FZKQIMNGSA-N 493.420 2.543 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2243685475 VPIINAFVBCFRCU-CABCVRRESA-N 464.352 2.532 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248401377 ICGZWPKKJNNDMF-MRXNPFEDSA-N 458.323 2.795 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)c(B(O)O)c1 2301723866 XLRHGMJSZPMROG-XMMPIXPASA-N 458.323 2.931 50 10 JFGE CCOc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCCOC)cc1OC 2314737399 HFMIFHJBNAAZME-UHFFFAOYSA-N 454.479 2.748 50 10 JFGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 2314740185 ZJFVEIINAFIRIJ-UHFFFAOYSA-N 493.428 2.665 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(Cl)c2)cc1I 14005226 ULVOJDXVUQSRHA-UHFFFAOYSA-N 489.722 2.903 50 10 JFGE COc1ccc(CC(=O)NN=C2C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 254795056 MGCWZIKKKHPSMP-UHFFFAOYSA-N 471.355 2.921 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)c(C(=O)O)c1OC 254813796 HJXQULZMIDINOM-UHFFFAOYSA-N 455.496 2.534 50 10 JFGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3c(C)cccc3F)cc2)CC1 1477755972 MPNPJIQRBFREKY-UHFFFAOYSA-N 457.550 2.546 50 10 JFGE C=CCn1cc(C(=O)NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)nn1 1558899491 FNTQOUZIWCCCIE-UHFFFAOYSA-N 458.478 2.771 50 10 JFGE N#CSc1ccc(NC(=O)c2ccc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cc1 1868174374 VUZDLWSYLCVPGH-HXUWFJFHSA-N 456.593 2.821 50 10 JFGE O=C(NCCCCCNS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 1999169338 RWVASMWCDXKSJI-UHFFFAOYSA-N 462.410 2.777 50 10 JFGE CC[C@@H](Br)CCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531951 GBSFECHWIMPYGS-ACJLOTCBSA-N 463.369 2.884 50 10 JFGE CN(C[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1)C(=O)OC(C)(C)C 2163049803 CUNGFAAJLPKWNA-OAHLLOKOSA-N 463.394 2.838 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCN2C[C@@H](Br)C[C@@H]2C1 2169666825 BQDGOZMQTPXXBA-GXSJLCMTSA-N 453.093 2.724 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC2(CCC(Cl)CC2)C1 2190034171 ZCQHHUHTWAKLDY-UHFFFAOYSA-N 454.976 2.645 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2241022007 WQBJEZRMFRRLMA-DMRZNYOFSA-N 466.442 2.762 50 10 JFGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1cc(I)ccc1O 2279407963 KPDJSLYXHBTEJQ-GXSJLCMTSA-N 454.102 2.917 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@H](CI)c2ccccc2Br)C1 2285603651 UGXRZRXFCZOEDS-ZWNOBZJWSA-N 474.158 2.976 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 2296883109 NVXQKKDZATVTJW-UHFFFAOYSA-N 475.617 2.986 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H](CBr)C1(C)C 2364021222 CBCLYFCURSKNCM-ZETCQYMHSA-N 473.991 2.960 50 10 JFGE COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2950132 LACKSQICQUNXPJ-WDZFZDKYSA-N 482.268 2.526 50 10 JFGE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)c1cn(C)c2ccccc12 10736942 SYGUPIGMDXMNSM-UHFFFAOYSA-N 459.432 2.645 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 33481455 WMMYVUXUVVDSSN-UYRXBGFRSA-N 464.522 2.965 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 103782715 MKPMNZFVMWYSAP-PEZQJOLDSA-N 496.589 2.682 50 10 JFGE Cc1ccccc1OCC(=O)NCC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254341341 QGDFBHLGGXCTPQ-UHFFFAOYSA-N 456.502 2.557 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1 1623062138 PNCPRFLHOKQOMK-WMZOPIPTSA-N 454.527 2.903 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(C)n2-c2cccc(OC)c2)c1 1644011432 HMKNUHCVTXUABS-UHFFFAOYSA-N 452.565 2.676 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1C 1860772014 OLTQLGHMGUBBBK-HNNXBMFYSA-N 454.552 2.741 50 10 JFGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022272 IPGUPWZVWIICTJ-BFUOFWGJSA-N 475.380 2.836 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185292857 KHEASNYYAJDBPF-LJUAHTATSA-N 452.086 2.764 50 10 JFGE CO[C@]1(CBr)CCN(C(=O)c2c(Br)c(Br)nn2C)C1 2338863696 NAKHJMZIBQTUMG-NSHDSACASA-N 459.964 2.571 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2364197620 NGOLRQIKYSDQTN-IERDGZPVSA-N 499.427 2.659 50 10 JFGE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 24320109 JFWWFQMQRHFCBM-UHFFFAOYSA-N 466.519 2.633 50 10 JFGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CN3CCN(C)CC3)c3ccccc32)c1 254519369 HIVJGLNACMTIKK-UHFFFAOYSA-N 463.582 2.569 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254567801 YCTRAXLWRQMRNO-NYACDPLDSA-N 495.630 2.551 50 10 JFGE O=C(NCCCNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccc2cccnc12 726613906 MVUGUCGBDTUERW-UHFFFAOYSA-N 470.327 2.761 50 10 JFGE C#CCCCC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1618666056 VPIGCGOVODKUII-UHFFFAOYSA-N 452.536 2.735 50 10 JFGE C=C[C@H](C)ONC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1636607610 ZUNXQPGLITYICW-FQEVSTJZSA-N 451.571 2.620 50 10 JFGE C=C1CCC(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 1685081499 RIQDDMUTPOLLTJ-UHFFFAOYSA-N 456.568 2.856 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729645 YXRYTIUUEHJMBU-UHFFFAOYSA-N 495.367 2.894 50 10 JFGE O=S1(=O)CCC(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)CC1 1915751695 WFGVAIYQWXHBJI-UHFFFAOYSA-N 450.420 2.713 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CCC[C@@H]1Br 1942099646 VZCZXZQYZPSTEM-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H](Br)C1 2046029895 UICVMZJGYVZIIU-KSMMKXTCSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2[C@@H](CBr)C1 2119645180 PWYJFKBPERZPDL-INIZCTEOSA-N 477.380 2.997 50 10 JFGE O=S(=O)(N1CCN(Cc2ccccc2)CC(F)(F)C1)N1CCCC[C@H]1CBr 2179808022 CJOIKRANSFAOFV-KRWDZBQOSA-N 466.392 2.934 50 10 JFGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2234591372 ROQVUFOFNOSYJK-ZDUSSCGKSA-N 476.384 2.715 50 10 JFGE O=C(C=Cc1ccccc1)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 2296658427 WKMCHWQUDLVCLX-UHFFFAOYSA-N 452.514 2.926 50 10 JFGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765556 YOTYILPBRZNWNQ-UHFFFAOYSA-N 478.618 2.882 50 10 JFGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2328808885 LDOKXCGDQLHKOR-UHFFFAOYSA-N 460.421 2.611 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccccc1F 40658186 XXOFWIZMXUKYFQ-UHFFFAOYSA-N 490.249 2.800 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccccc3C)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C 254295760 DMQKSSCUZYZPBQ-OAQYLSRUSA-N 457.555 2.518 50 10 JFGE NC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 1083989757 DVBFUJFEHYPIOT-UHFFFAOYSA-N 485.588 2.632 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)COc3cc(C)ccc3C)c2C)C1=O 1562920912 BBAXVUYQBFXYGH-UHFFFAOYSA-N 453.499 2.632 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771976 NMRWKIWZXRCBIR-CABCVRRESA-N 484.578 2.769 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCC[C@H](CBr)C1 1942098559 OLVIENPUVBGSMS-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 2029231948 BFFWWMMCUWBWOZ-ZDUSSCGKSA-N 479.343 2.745 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122799920 OBIIXLREKFJDBE-CABCVRRESA-N 487.416 2.513 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2163289309 MJGORYLPNIVJSV-DOMZBBRYSA-N 466.909 2.988 50 10 JFGE Cn1nc(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)cc1Br 2168209574 DXSRYKHRCBDSLP-VIFPVBQESA-N 493.059 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2217355748 XDIHBIPYASAYOQ-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE CN(Cc1ccc(B(O)O)s1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248893931 MXYHOKPERSGVJO-UHFFFAOYSA-N 478.379 2.704 50 10 JFGE CC(C=Cc1ccc(N(C)C)cc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 2297512721 DLSINFLMUDJSCM-UHFFFAOYSA-N 463.527 2.846 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 2323627986 XZKKIJGZLWZTBV-UHFFFAOYSA-N 450.451 2.953 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2338837288 PGHVAEWPPAUHFT-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE COC[C@@]1(CCl)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2379851920 PBRMSZYSAIRGAT-NRFANRHFSA-N 454.976 2.669 50 10 JFGE CCn1c(NNC(=O)[C@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)nc2ccccc2c1=O 11155747 SFTPWUSDWUAIFG-ZDUSSCGKSA-N 485.928 2.583 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1OC 13983474 DMCNAJYYJTTZLT-UHFFFAOYSA-N 499.330 2.566 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CCBr)C1CCCCC1 725091119 ZVYORAMCWXXKDH-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCc3ccco3)cc2)cc1 748271448 VKKLNFJUPOOMQS-UHFFFAOYSA-N 455.492 2.677 50 10 JFGE CCOc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)ccc1O 1084519172 XEVOHMBNVWFXIE-UHFFFAOYSA-N 468.583 2.904 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)CC1 1144025438 DKQVVSZJSQEKSN-ULJHMMPZSA-N 457.578 2.593 50 10 JFGE C=CC1(CC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)CN(C(=O)OC(C)(C)C)C1 1466575063 UVOKQRUNDRMTIM-UHFFFAOYSA-N 455.515 2.660 50 10 JFGE C=C[C@@H](C)ONC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1636607612 ZUNXQPGLITYICW-HXUWFJFHSA-N 451.571 2.620 50 10 JFGE COc1ccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc1OCc1ccccc1 1873792289 AFKDBKXOMOZBEH-VULFUBBASA-N 458.474 2.840 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 2041121217 HYSPAKLXRNQUFK-LBPRGKRZSA-N 479.343 2.743 50 10 JFGE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCC(Br)CC1 2106778304 BYVIPPDJGDQJMY-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cccc(Br)c1Br 2121328380 BZZGRFJJRGZPRN-IUCAKERBSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CC(F)F)C1 2183409478 OREPPMLMHODKIB-CYBMUJFWSA-N 476.384 2.667 50 10 JFGE C[C@@H]1CN(C(=O)C(C#N)=C2N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 2296532758 XOIWPHPLMWWTBA-HUUCEWRRSA-N 459.462 2.655 50 10 JFGE CCOC(=O)C1=C(COC(=O)C(C#N)=Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 2297436301 NMYAPFXMKRQJAL-JOCHJYFZSA-N 478.505 2.976 50 10 JFGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNNC(=O)c1cc(Br)ccc1O 2297533609 VYMYALQVRZAIRO-UHFFFAOYSA-N 481.306 2.682 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCS[C@@H](CBr)C1 2316816559 BDELRQBBEHAIAP-HNNXBMFYSA-N 489.457 2.985 50 10 JFGE COC(=O)[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2369415798 LOPZTIVTJNOCCF-VIFPVBQESA-N 493.999 2.735 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(F)cc1 13979197 DDVQWVFALSNPIN-UHFFFAOYSA-N 460.712 2.956 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1Br 14771028 NSDXWHZCTVHOIL-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 141336728 CIGPUSCDCFAVCB-UHFFFAOYSA-N 470.301 2.863 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 1083994098 GDBVXSPXBKZFMB-UHFFFAOYSA-N 475.918 2.949 50 10 JFGE COc1ccc(-c2nc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866674981 BUKRUAYPBSXESO-HXUWFJFHSA-N 466.519 2.890 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(CBr)CC1 2046028669 KGYARSLPVOKHNE-MHVYXZCWSA-N 475.380 2.884 50 10 JFGE CO[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2172465259 WCRUCSJCZNKSHT-LSDHHAIUSA-N 463.394 2.884 50 10 JFGE CCOC(=O)C(C#N)=Cc1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2296732337 XCOSVABQYGBEQG-UHFFFAOYSA-N 473.533 2.808 50 10 JFGE C[C@H](Br)C1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2301112120 YJRASOJORNWTLH-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1CC(Br)C1 2301132899 GBSYEXFPOANCTA-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC(C)(CI)CN1C[C@H]2C[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)[C@H]2CO 2306818530 LHGRUWZZMXZAHX-QPSCCSFWSA-N 452.377 2.901 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 13976194 CZCBTHRMTXKMGP-UHFFFAOYSA-N 456.568 2.740 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 14655710 MLWBYDPZSHPHDI-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)CCl 31167341 QERAXRDNYJPTRN-QFOSDGOKSA-N 460.951 2.943 50 10 JFGE biogenic CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207213559 UYHBVNJPEOHZBV-RGEXLXHISA-N 466.490 2.844 50 10 JFGE COCCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCOC 216501754 GURJHIPOAVJTSO-LVWGJNHUSA-N 462.594 2.922 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084494281 POFHRWSWQOUCNV-UHFFFAOYSA-N 468.535 2.753 50 10 JFGE CSc1nc(O)cc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)n1 1084602817 OOHPACHQIUIWBU-UHFFFAOYSA-N 462.123 2.899 50 10 JFGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cc[nH]n2)ccc1Cl 1453308588 YPSFXFUHHBVBDN-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748990 ZXEBVOKBACJCDO-UHFFFAOYSA-N 484.509 2.821 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)cc1 1865845069 HETKVDTUTYVJLW-UHFFFAOYSA-N 481.465 2.942 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@H]1Br 1893137601 VQWHTALJFBTLPW-OAGGEKHMSA-N 455.349 2.913 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 1942090682 YIFAAJDDAXJFEU-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CC[C@@H](CCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539541 LKJMOGSRZKDGGU-UGSOOPFHSA-N 463.369 2.884 50 10 JFGE Cn1ncc(C(=O)N2C[C@@H](C(F)(F)F)[C@@H](CBr)C2)c1I 2163358229 IQTXHDPCVZSEQI-POYBYMJQSA-N 466.039 2.670 50 10 JFGE O=S(=O)(Cc1ncsc1Br)NCCCCCI 2213762964 YFFCYPCBQPLPMH-UHFFFAOYSA-N 453.165 2.930 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC 2297560240 FLKGWQLJLGIRSJ-HSZRJFAPSA-N 493.560 2.644 50 10 JFGE COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)CBr)ccc32)cc1 21756122 NBVQHQLRDVBBLI-UHFFFAOYSA-N 475.386 2.931 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 35166941 WJDRBOCHEFKLRC-AZHVYHFMSA-N 455.496 2.555 50 10 JFGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40657886 QZRBNBHFOQMUIF-UHFFFAOYSA-N 486.286 2.590 50 10 JFGE COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)c1cccc2cccnc12 730767393 RRQNAIUJGGOOLT-UHFFFAOYSA-N 454.277 2.768 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OCCC(C)C 749160660 CIXWVBIIYSDCBE-KRWDZBQOSA-N 495.623 2.796 50 10 JFGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746893 IKSUUEWCERYNJT-UHFFFAOYSA-N 486.388 2.965 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CBr 1942095476 RTQVWTPONILZDO-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE COc1cc(NS(=O)(=O)CI)ccc1CNC(=O)OC(C)(C)C 1989797425 VLZIVAJAGMQTAY-UHFFFAOYSA-N 456.302 2.854 50 10 JFGE CN(C[C@H](Br)C1CCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2002411415 VKYNNNSHDUGRCA-KRWDZBQOSA-N 457.390 2.888 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cccc(Br)c1Br 2121328379 BZZGRFJJRGZPRN-DTWKUNHWSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1S(=O)(=O)N1CCC(Br)CC1 2164650093 XVRJTODQVKEDTO-BPUTZDHNSA-N 466.442 2.858 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248397055 ICGZWPKKJNNDMF-MRXNPFEDSA-N 458.323 2.795 50 10 JFGE COC(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 10292783 ROHSOKNTGVSBBV-UHFFFAOYSA-N 486.116 2.838 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 12487846 SXVISAGGXDOLME-UHFFFAOYSA-N 458.540 2.787 50 10 JFGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 13982248 NERARZVAMNGZBY-UHFFFAOYSA-N 462.531 2.826 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1 14022005 ZYRSFUGNEBXLSI-MDWZMJQESA-N 455.536 2.676 50 10 JFGE O=C(Cc1nc2ccccc2[nH]1)NNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24002314 HPIRGRHTBCLJDY-HNNXBMFYSA-N 463.441 2.775 50 10 JFGE CC(C)CN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 33959072 HJBLCOVJGIRMOS-QLYXXIJNSA-N 451.483 2.628 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 206430156 UNRZFIPCLLUXBI-PXNMLYILSA-N 484.421 2.709 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)s1 254520842 JRJHMNGJLTYOER-QGZVFWFLSA-N 469.613 2.641 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1 254626387 HXZOYYMIYRYEGS-UHFFFAOYSA-N 461.474 2.803 50 10 JFGE C=CCn1c(COc2ccccc2)nnc1SCC(=O)NNC(=O)Cc1ccccc1C 1651848973 XNELHUDXUQMNMC-UHFFFAOYSA-N 451.552 2.834 50 10 JFGE COC[C@](C)(CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2040258643 DNTQBJYDXSBYRC-IBGZPJMESA-N 475.405 2.562 50 10 JFGE CC1(C)C[C@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046037416 YSCIPTLPVGUWJO-ORAYPTAESA-N 475.380 2.836 50 10 JFGE CC[C@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2112705076 GCMCMPBUYZIVGU-FQEVSTJZSA-N 487.416 2.659 50 10 JFGE CO[C@@H]1CN(C(=O)c2ccccc2I)[C@@H](CBr)[C@H]1OC 2233356216 PAWDETYOJPFGOB-YNEHKIRRSA-N 454.102 2.541 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2CCO[C@]2(CBr)C1 2239886575 RMTOMICEXRPYFL-SWLSCSKDSA-N 450.114 2.846 50 10 JFGE CCOC1(CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338849760 LPVIWHNOVNPFDJ-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2358236736 ZHFXKINEWRNURX-YCPHGPKFSA-N 466.442 2.716 50 10 JFGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14031729 XLLJZRDWGOPBHV-GFCCVEGCSA-N 483.462 2.759 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658604 OCPCSTMSRCIWHX-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE CC[C@@H](Br)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@@H]1c1ccccc1 170485623 BJXDPAFVTUDOCP-CJNGLKHVSA-N 452.330 2.534 50 10 JFGE O=C(CC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O 245263935 BQEPZHUKOIMUBP-UHFFFAOYSA-N 498.131 2.613 50 10 JFGE C=CCOc1ccccc1C=NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 916354579 GBVZJXXZCYUJAE-HXUWFJFHSA-N 487.578 2.668 50 10 JFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1 1084283233 FACWQHCHIAWFBV-QMMMGPOBSA-N 460.347 2.547 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2cc(Br)ccc2F)cc1 1639947200 KGWXUEHAVMPQSC-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 1902968442 DMAWUCHIFWMLPI-CYBMUJFWSA-N 484.770 2.625 50 10 JFGE CC(CBr)(CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1928300287 BFUNWLXCBQLQHC-UHFFFAOYSA-N 496.221 2.531 50 10 JFGE CN(CC(F)(F)CBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1945725090 BVNMWCFOVHCNTO-UHFFFAOYSA-N 467.332 2.601 50 10 JFGE CC(C)(C)OC(=O)NC1CCC(OCCCNS(=O)(=O)CI)CC1 2007724517 WUHPYLWJHJJBMJ-UHFFFAOYSA-N 476.377 2.541 50 10 JFGE CN1C[C@H](Br)[C@@H](NC(=O)c2cc(Br)ccc2I)C1 2029864900 VOOZWTNKSGHDMH-ONGXEEELSA-N 487.961 2.861 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2078357232 GORCBDNBMQSXFL-ZUEPYMLJSA-N 475.380 2.740 50 10 JFGE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2107386524 AVGANZQQNMILJN-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE CN([C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2112848011 YRWIQOHSDPDGPI-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2163056914 WVWHNVNZEIUYJN-RMKBEBRYSA-N 488.470 2.588 50 10 JFGE CC1(C)CN(Cc2ccccc2)CCN1S(=O)(=O)c1cnn(CCCBr)c1 2179786061 VALVRCCIKYPKSM-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE CCOCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 10286316 MFWNPQBOVKQTAM-UHFFFAOYSA-N 480.384 2.743 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14020719 PWEXGZVHSRCKKS-UHFFFAOYSA-N 452.330 2.562 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2ccccc2oc1=O 41013455 CMLOVLTZMMMNHP-LDADJPATSA-N 460.442 2.787 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 703966550 HLMUQSVCRQIAAD-JLTOFOAXSA-N 471.417 2.992 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1O 1084503312 BAYBDFDLHGXLMF-UHFFFAOYSA-N 453.520 2.569 50 10 JFGE Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961108 IYPODKTXOYAPQD-SJORKVTESA-N 455.946 2.778 50 10 JFGE CC[C@]1(NS(=O)(=O)CI)CCCN(C(=O)OCc2ccccc2)C1 1884480065 RWZAICPLEWYORW-INIZCTEOSA-N 466.341 2.880 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)CCC[C@H]1Br 2011548700 QIACHBRPFRZKTF-DNVCBOLYSA-N 457.390 2.934 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046029232 OZZWAXQOVBVOKT-BFUOFWGJSA-N 475.380 2.694 50 10 JFGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204524757 IEXQXLAWISHLKP-IYWMVGAKSA-N 457.434 2.855 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)ccc1Br 2313860853 SEXYAWKXWIDFQL-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1OC 13977373 JAFPDALFXBMINH-JXMROGBWSA-N 484.578 2.775 50 10 JFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl 230102526 HHVCVAIASNFMBE-YCZSINBZSA-N 458.935 2.863 50 10 JFGE endogenous,in-man CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 254898206 PRIQGWYKTVERHN-UHFFFAOYSA-N 494.529 2.719 50 10 JFGE CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(O)c(Br)c1 263626889 AZWZWCOZXSAIIA-GOSISDBHSA-N 462.300 2.788 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749112482 CDKCYUABLFBKHI-LJQANCHMSA-N 485.587 2.795 50 10 JFGE C/C(=C\C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccccc1OC(F)F 1546252339 ZJHUYDCCRSKYKS-ZRDIBKRKSA-N 453.305 2.518 50 10 JFGE C[C@H](Br)C(C)(C)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539484 KXZHKIYLDOWGFX-SGTLLEGYSA-N 463.369 2.740 50 10 JFGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539884 CGYJCZCMXDBWDB-JCGVRSQUSA-N 463.369 2.882 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C2(CCCC2)C1 2006024315 CTXDYOKFYKYTDQ-INIZCTEOSA-N 455.374 2.642 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 2046028545 JGZNGJZHHQSEEM-CKFHNAJUSA-N 473.364 2.731 50 10 JFGE C#CC[C@@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084837567 IZJDSYMMVFOFFM-FQEVSTJZSA-N 469.401 2.797 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2111466741 QVPMOCUFEWJSIW-QZLPOSHTSA-N 487.391 2.836 50 10 JFGE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1ccc(CBr)cc1 2111818918 YCKZFZHDPRYJEJ-UHFFFAOYSA-N 451.383 2.791 50 10 JFGE CO[C@@H]1CN(c2ncc(I)cc2Br)[C@@H](CCl)[C@H]1OC 2225080177 FMOQOEHFBTXVAH-HBNTYKKESA-N 461.525 2.906 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 10097995 VKVXOOQUWQRJNC-UHFFFAOYSA-N 462.329 2.500 50 10 JFGE Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1 22716353 JQMTYVHKDOPVCH-GHTZIAJQSA-N 479.606 2.665 50 10 JFGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 103524154 CDAGCNNJBNAZIK-UGPHYALOSA-N 490.994 2.727 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(C(=O)OC)cc2)cc1 254521301 HSCGNJXXNCMJOH-UHFFFAOYSA-N 480.521 2.811 50 10 JFGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=C/c1ccccc1 254715035 OOOVHJVNNXBHOU-JUIXYSQOSA-N 463.546 2.816 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2Cc3ccccc32)cc1 920853874 GVIDTMBZTASNST-QRRJMBGHSA-N 455.518 2.797 50 10 JFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1 1084283232 FACWQHCHIAWFBV-MRVPVSSYSA-N 460.347 2.547 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 1084383818 GZIYMBPGCMTMBT-UHFFFAOYSA-N 469.527 2.988 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2c(C)cccc2Br)cc1 1644535203 SBWCXSIASFKUMD-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE ClCc1nsc(-n2cnc(I)c2I)n1 1885801160 IZOWQLPCCCCLCO-UHFFFAOYSA-N 452.446 2.672 50 10 JFGE CC1(C)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1943856352 XFPGIRCNFLHKOG-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14834040 NOZNVHNMIODIFQ-LFYBBSHMSA-N 461.927 2.631 50 10 JFGE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20924110 MOQHJWQTIIBIJH-BRJLIKDPSA-N 494.968 2.798 50 10 JFGE O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 23159780 KEISAPIQUWXWSG-DTQAZKPQSA-N 476.500 2.989 50 10 JFGE C[C@@H]1CCC[C@@](CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703975230 VTERMFFWXCNTTB-AUUYWEPGSA-N 457.390 2.936 50 10 JFGE CC(=NNC(=O)CCc1ccco1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 748145232 XILVZZQGXFJVKI-UHFFFAOYSA-N 469.519 2.929 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 1672639897 XBUMHJORARYUEU-SFHVURJKSA-N 453.543 2.570 50 10 JFGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1865756953 GKUKNKDJBITWCX-ZDUSSCGKSA-N 464.428 2.781 50 10 JFGE Cc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851395 APBKWOGNZSZNAD-MRXNPFEDSA-N 468.579 2.898 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866868583 VMJSUJPKDDCOPQ-RTBURBONSA-N 469.592 2.714 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1942096355 AKRIBKNNNNOODY-CABCVRRESA-N 457.390 2.746 50 10 JFGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942097461 IIKDYVGDIKHFMH-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE CCC[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2008112573 FYRSXNJKSQZLIC-UGSOOPFHSA-N 463.369 2.741 50 10 JFGE CCC(CC)(CBr)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2106783687 BYOOGDKGTAHWBG-GJZGRUSLSA-N 453.443 2.906 50 10 JFGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2107340452 FLSLCZWRZLQIHB-HIFRSBDPSA-N 454.431 2.668 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC[C@]2(C[C@H](Br)CO2)C1 2201762136 DXNMNGAZMXPAIJ-XPTSAGLGSA-N 452.086 2.765 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@H](CI)c2ccccc2Br)C1 2285603649 UGXRZRXFCZOEDS-GXFFZTMASA-N 474.158 2.976 50 10 JFGE O=C(CNC(=O)c1cccnc1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295869853 RFGNQKVEHGIKNA-UHFFFAOYSA-N 497.305 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@H]12 2309229330 SVLOODURVWYFMY-NBMRYCAZSA-N 469.401 2.792 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 2313625021 QJDWNGXLFOAEKW-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1cccs1 12571385 JCHISYXZSBGERS-UHFFFAOYSA-N 493.202 2.988 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)c1 13976298 NWVFRLDUNCPPMX-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14012704 GKGHECYRFQMINY-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217191567 GZACOTKSYLXYNR-BCGZBQFISA-N 459.612 2.676 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 703966253 DYZHYDSMHRMNKB-ZIAGYGMSSA-N 471.417 2.990 50 10 JFGE Cc1cccc(COc2ccc(C=NNC(=O)CN3CCOCC3)cc2I)c1 1084394224 XWJBSVXINMDSGE-UHFFFAOYSA-N 493.345 2.961 50 10 JFGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)NCc1ccccc1 1084536839 VFLDVIDQNROALE-UHFFFAOYSA-N 450.539 2.671 50 10 JFGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNS(=O)(=O)c2ccccc2)CCC3)cc1 1772747436 LNCUPOJOIINWDQ-UHFFFAOYSA-N 480.546 2.990 50 10 JFGE Cc1nc(S(=O)(=O)N(C)C[C@H](Cl)COCc2ccccc2)c(Br)n1C 1916332980 NGZCHIULRDDAGH-AWEZNQCLSA-N 450.786 2.936 50 10 JFGE CC(=O)NNC(=O)CSC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2019085252 BWTQJBIQQVTQIF-NRFANRHFSA-N 485.562 2.657 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163323550 DRGNVFAQAJMBKH-SFHVURJKSA-N 466.442 2.814 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](F)C[C@@H](Br)C1 2213904668 WOUXFQGQPCUYBI-ZIAGYGMSSA-N 461.353 2.590 50 10 JFGE CN([C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)S(=O)(=O)N1CCC(Br)CC1 2274183780 SVGTUVNXIVMJLR-AWEZNQCLSA-N 454.431 2.668 50 10 JFGE C[C@@H](Br)C1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2301112121 YJRASOJORNWTLH-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CN1CCN(S(=O)(=O)c2ccc3nc(NC(=O)C(C#N)=Cc4ccccc4)sc3c2)CC1 2322401922 UISHIYDWEJRQGO-UHFFFAOYSA-N 467.576 2.778 50 10 JFGE COc1ccc(Cl)cc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2324463949 YENXCIJVGDRZHF-UHFFFAOYSA-N 460.943 2.701 50 10 JFGE Cn1ncc(Br)c1C(=O)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 15985902 GJRGHHDRIGEYCV-UHFFFAOYSA-N 463.313 2.714 50 10 JFGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)CNC(=O)c2ccc(OC)cc2)cc1 254487498 AIQYIAXZMJAGBS-UHFFFAOYSA-N 475.501 2.941 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3cccc(O)c3)nnn2-c2nonc2N)cc1 254496430 YYIXPCHSRVQQMN-UHFFFAOYSA-N 462.470 2.548 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCBr 703992137 ZDIFBUUGNJMFPR-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@H]3C(=O)Nc4ccccc4C3=O)cc2)cc1 1298494804 UHFBFLDOXRCCLO-OAQYLSRUSA-N 457.442 2.894 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 1872960058 ARXOVOSHXIRIGW-LSDHHAIUSA-N 459.909 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](I)C1 1901045601 PCWDBJYWIIJZAZ-CQSZACIVSA-N 490.363 2.682 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(S(=O)(=O)CI)CC1 1983327980 RWLLMLPKUXITBQ-SECBINFHSA-N 472.267 2.582 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H]1CBr 2046029352 PWZGBLOEIXOXDL-TYILLQQXSA-N 475.380 2.741 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)CC1 2189319340 JMAFAHPGVYDMBU-OAHLLOKOSA-N 466.442 2.860 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2248416571 VQHPKXGESXQWBF-HSZRJFAPSA-N 478.379 2.607 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2257385077 ZECMRLWSHUUMKM-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE Cc1ccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2264099675 NCJDZAWEZPUXKK-UHFFFAOYSA-N 472.350 2.608 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2cc(B(O)O)cc(C(F)(F)F)c2)C1 2281912379 HQKUNNDMFYACAA-UHFFFAOYSA-N 478.276 2.647 50 10 JFGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1C 2304164246 MMQZLRJMQLWIHH-ZQIUZPCESA-N 457.390 2.886 50 10 JFGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2369414901 DZXUIKNRBUFILD-MRVPVSSYSA-N 469.966 2.971 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1I 13981221 ZBWKKOBOSLPTCZ-UHFFFAOYSA-N 497.358 2.931 50 10 JFGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 27666820 GIAJSUPYDSWFEQ-UHFFFAOYSA-N 488.548 2.700 50 10 JFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccccc1F 101568320 NTLSNHQNEZGGEX-UHFFFAOYSA-N 480.287 2.784 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217191545 OIAWKHFSULEVAF-UDIGZPOISA-N 472.655 2.591 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC 254794116 BRYNJBAILYGFEV-UHFFFAOYSA-N 472.501 2.501 50 10 JFGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1087393615 IGEYIEQUMSPMNQ-VAWYXSNFSA-N 476.928 2.652 50 10 JFGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)c2ccc(Br)cc2Cl)C1 1635917716 HGNVBLVANCSOSZ-SGIREYDYSA-N 457.756 2.694 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(Br)CC1 2000539780 BTJQQWXSXVKDOC-KJBLDROHSA-N 461.353 2.636 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC=C(CBr)CC1 2004219200 IZYIZGDIIJXHEJ-UHFFFAOYSA-N 455.374 2.810 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](OCCCCl)C1 2364189948 HCVZSQVSPUXEAP-QGZVFWFLSA-N 456.992 2.893 50 10 JFGE O=C(COc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12502186 OJRWQTNLQBMSLS-UHFFFAOYSA-N 454.552 2.920 50 10 JFGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 727942581 QXNUJKMFENPZNL-HNNXBMFYSA-N 462.539 2.859 50 10 JFGE COc1ccc(N(CCC(=O)NNC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2C)cc1 745146247 DSKWPMPUOAQZOX-UHFFFAOYSA-N 462.572 2.636 50 10 JFGE C#Cc1ccc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 1312726955 ZNFGAIIUMAYAEY-UHFFFAOYSA-N 451.490 2.514 50 10 JFGE CC(=O)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(F)c1 1440602689 UDOPWJAQDRFNDH-UHFFFAOYSA-N 458.449 2.861 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NCCOCCI)C1 1904643545 XEOZGDNRCNONGO-ZLOXQWCVSA-N 460.378 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 1948553395 DEPYCKMWJDGGAT-CQSZACIVSA-N 455.374 2.642 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2045154765 RMFJKJLICRJYGE-KEYYUXOJSA-N 469.401 2.744 50 10 JFGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023019 OWDHXVKVIJSYCF-AXHNFQJDSA-N 475.380 2.979 50 10 JFGE CN([C@H](CCBr)C(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2058235832 AEXBUPNRULWRGF-CQSZACIVSA-N 481.359 2.989 50 10 JFGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 2106303175 RUHUOKRJQCUONR-MOPGFXCFSA-N 483.384 2.944 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106303775 YEWPMHPXZVPFLH-CTYIDZIISA-N 454.431 2.764 50 10 JFGE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2163052095 ZNMAYYIKSZQDID-NUEKZKHPSA-N 466.442 2.668 50 10 JFGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccco1 2172876481 GBPPYRSASQMLQX-IUODEOHRSA-N 466.398 2.928 50 10 JFGE COCC[C@H](CNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 2225568080 BIAHDOCHXIPLDY-CQSZACIVSA-N 451.383 2.790 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(Cl)ccc1I 2231682323 OXAOBWPOQROANB-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248396900 GIDGJSJIFIILDI-CVEARBPZSA-N 478.379 2.875 50 10 JFGE O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 2297380676 SNDHFNKIJHKTIS-UHFFFAOYSA-N 465.487 2.903 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2317670352 CBCOQAAQXYQPDJ-XMMPIXPASA-N 470.334 2.573 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)NNC(=O)C(F)(F)F 20836939 PAOBTIFPQQXVQZ-YSURURNPSA-N 493.471 2.632 50 10 JFGE COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(=O)N1CCOCC1 27551144 GFJWQIBRMCMNKO-FQEVSTJZSA-N 483.521 2.986 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cn1nc(C)cc1C 96507900 MQKSBKRAPZMDFV-WQRHYEAKSA-N 465.535 2.750 50 10 JFGE CCc1ccccc1N(CC(=O)NN=Cc1cc(Br)ccc1OC)S(C)(=O)=O 1084028582 RUGFSCBRRQWPKV-UHFFFAOYSA-N 468.373 2.936 50 10 JFGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)c(OC)cc2OC)cc1 1084330533 QYDWMHTUZDWOJT-UHFFFAOYSA-N 450.289 2.954 50 10 JFGE COc1ccc([N+](=O)[O-])cc1C=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 1084504030 KTMBKPPQLWCMTF-UHFFFAOYSA-N 482.518 2.772 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=S)Nc2ccccc2C(C)C)cc1F 1618125436 WBDPWMORONCFJJ-UHFFFAOYSA-N 451.545 2.943 50 10 JFGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NN(C)C(=S)NC)c1 1642162648 LETHOYMCQWKGTM-UHFFFAOYSA-N 452.989 2.802 50 10 JFGE COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 1860773621 CHCZLXNHERARPA-VSMKJSFNSA-N 485.522 2.917 50 10 JFGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NCCOCCI)C1 1904642752 NQOKEFGDGVMESS-RKLPPVLTSA-N 460.378 2.839 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN(S(=O)(=O)CI)C2)C1 1983326968 HGRISMDCWVYOBI-OAHLLOKOSA-N 458.362 2.822 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2033537126 IFUJEBRROGBFLM-WBAXXEDZSA-N 469.401 2.888 50 10 JFGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028225 HCDZSQGJNLTYQT-FCEWJHQRSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CC1)CC2 2107416792 ORQJLGDZVYBYNW-UHFFFAOYSA-N 452.415 2.566 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)cc(Br)c1 2121337871 PFSBRFNUBWRISV-VHSXEESVSA-N 475.984 2.502 50 10 JFGE O=C(NCC12CC(CBr)(CO1)C2)c1ccc(I)c(O)c1 2159588908 NXYFNEJXKBHQTG-UHFFFAOYSA-N 452.086 2.671 50 10 JFGE CC[C@]1(Nc2ncc(Br)cc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2231676961 WVHDKYOUPAUBCK-FQEVSTJZSA-N 462.153 2.517 50 10 JFGE O=S(=O)(C[C@H](Cl)c1ccc(Cl)c(I)c1)N1CCOCC1 2283586279 YJMRIZATKQFHHL-NSHDSACASA-N 450.125 2.887 50 10 JFGE COc1cc2c(C=NNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c(C(=O)O)n(C)c2cc1OC 2328793484 LIESUNDAUOZRLB-UHFFFAOYSA-N 493.472 2.838 50 10 JFGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843871 WOFYYROGTSYDIE-CVEARBPZSA-N 487.416 2.657 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2364015572 QPJTUUJTKRJIOV-HZGVNTEJSA-N 471.975 2.760 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)cc1I 12500742 CLIAFJQHKLYFON-JXMROGBWSA-N 481.315 2.649 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 12503040 GKPMJHXWIYERNH-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 40657749 GCRKQCCYPMPWMG-UHFFFAOYSA-N 451.462 2.916 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(CCO)c1C 59914338 PECSZJAGGNRHBY-MJDKSPQASA-N 482.614 2.513 50 10 JFGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 217175118 RXHINKLRHWPVIT-TVJQZGFISA-N 478.549 2.835 50 10 JFGE O=C(N[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1I 323064317 MVOIXCUSKNZSHR-WPRPVWTQSA-N 474.918 2.946 50 10 JFGE CCC(CBr)(CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703998326 ATGDZUWRHRLHHA-UHFFFAOYSA-N 496.221 2.531 50 10 JFGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn[nH]c2)c1 1543118550 LSKDWJYKYWRILC-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)nnc1-c1ccco1 1608478483 OQHAJLTVILVWKS-AWEZNQCLSA-N 459.503 2.960 50 10 JFGE C[C@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942099493 VFPQOBXOYQSOFN-LJQANCHMSA-N 457.390 2.890 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 2046025042 FZUMZMQPVVHBGU-WZFJYNIESA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2106303531 VQRRTPPCRMPCEB-LLVKDONJSA-N 468.336 2.526 50 10 JFGE C[C@@H]1[C@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108228271 OIQJMYALBVKQAC-SXOQPLQPSA-N 487.391 2.977 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2cc(I)ccc2O)C1 2121339374 ZEURHJICNPKPJY-HQVAUKCESA-N 458.030 2.865 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2162204205 LALCQYHYQDFJLA-BGYRXZFFSA-N 456.450 2.935 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCSC[C@H]1CCBr 2226105099 CZMAPEZPBMURAX-MRVPVSSYSA-N 450.243 2.938 50 10 JFGE CCN(C[C@@](C)(CBr)O[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270094613 JJXTUISOJPDZBI-RHSMWYFYSA-N 457.431 2.838 50 10 JFGE C[C@H](CBr)CS(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2338952634 FCDGAYNLXAONAB-SSDOTTSWSA-N 482.036 2.738 50 10 JFGE COc1cc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc(OC)c1OC 40852797 NNCIRIAIRVKHNM-UFWORHAWSA-N 454.233 2.853 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1O 58890092 BBLRXRKMOXCGAO-UWOKGBPVSA-N 454.264 2.969 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(F)cc1 254897778 ONZYVRMZDLTDCP-UHFFFAOYSA-N 452.475 2.818 50 10 JFGE N[C@H](CSS[C@@H]1CCN([C@@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 255962564 AMPOCARAOGXMMH-DNXONMBMSA-N 468.572 2.725 50 10 JFGE C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)cc2C1 749160627 BJTRABLFPFAKBQ-OCCSQVGLSA-N 453.611 2.549 50 10 JFGE COCc1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2F)s1 1858693560 QXOQAGBUILJTPQ-UHFFFAOYSA-N 478.418 2.755 50 10 JFGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCN1CCOCC1 1865686899 DPROHUZQEGLHOD-QHCPKHFHSA-N 467.570 2.785 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(=O)c23)C1 1865851499 DBPDJRSSHFPGJO-JTQLQIEISA-N 475.914 2.606 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866580733 XFPCGMJODSZENW-OXJNMPFZSA-N 475.567 2.890 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2106777294 RIEWAEAKGJIVEA-CANCMXDXSA-N 451.438 2.907 50 10 JFGE O=C1CN(C(=O)c2cc(Br)ccc2Br)CCN1CCBr 2171079108 JOFXCRCJKWECLN-UHFFFAOYSA-N 468.971 2.891 50 10 JFGE O=C(Cc1ccccc1I)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2185320704 YACPCTYDGVKUTC-MRVWCRGKSA-N 450.114 2.987 50 10 JFGE COCCN(C[C@H](C)Br)C(=O)c1c(Br)c(Br)nn1C 2338671017 UKKCBKKEDCVIJK-ZETCQYMHSA-N 461.980 2.817 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14656385 XEMZWVNSSURPHB-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN1S(=O)(=O)c1cccs1 749264381 AWNDUJQQFUQORR-LBPRGKRZSA-N 464.447 2.972 50 10 JFGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769819 IWWJMSPROXCTFP-AWEZNQCLSA-N 484.578 2.841 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771958 NBYXKLZQUGEWAK-HNNXBMFYSA-N 454.552 2.741 50 10 JFGE CC(C)(C)[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538539 HTUXIBHQTBSNMU-KBXCAEBGSA-N 463.369 2.740 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](F)(CBr)C1 2046022354 JNJCCDZRZLDRSV-QZTJIDSGSA-N 479.343 2.540 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248886365 FUNNLDUYBAOOKQ-UHFFFAOYSA-N 458.323 2.796 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)[C@@]2(CCCOC2)C1 2306801370 FZEKELMAVTXAEG-YOEHRIQHSA-N 454.349 2.586 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CBr)C(=O)O)cc1Br 2343261148 ZJULEGIYXPEJCV-MRVPVSSYSA-N 479.972 2.646 50 10 JFGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H](CCBr)O1 2364017692 MSEUYTKDXHRVKT-YUMQZZPRSA-N 473.991 2.960 50 10 JFGE O=C(COc1ccc2ccccc2c1Br)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 12576101 XPWMXSRGXHSYAV-UHFFFAOYSA-N 480.296 2.899 50 10 JFGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)c1 254502106 YKWNRRFSVNZEGA-UHFFFAOYSA-N 473.445 2.728 50 10 JFGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccccc32)cc1 254820784 CQSHKPGLKFEXCN-UHFFFAOYSA-N 463.538 2.746 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)CCC2CCCCC2)cc1 727347571 UYJBUVOMYXWNFT-UHFFFAOYSA-N 451.589 2.798 50 10 JFGE CC(=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc2c(c1)OCO2 1083852040 VILZVUICGNYZEW-UHFFFAOYSA-N 489.355 2.783 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 1084553115 CQCFXJQZZFLSTR-UHFFFAOYSA-N 467.547 2.872 50 10 JFGE COC1CCN(C2(CNC(=O)NNC(=O)c3ccc(Br)cc3)CCCC2)CC1 1318350104 AHHFFQRUWGANJJ-UHFFFAOYSA-N 453.381 2.817 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1 1623806561 NRPZUZIGFMILON-LBPRGKRZSA-N 453.904 2.566 50 10 JFGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1865852220 PHBOWFBJWUNDAU-UHFFFAOYSA-N 476.514 2.681 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 2030217727 FLZMSMXOYFYNGD-MSOLQXFVSA-N 469.401 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2045154764 RMFJKJLICRJYGE-JKIFEVAISA-N 469.401 2.744 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106303154 RPLXPBMJNHCSOL-HNNXBMFYSA-N 454.431 2.860 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185501820 ALNZDFOMNZKFNM-MTQWCTHYSA-N 457.434 2.855 50 10 JFGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2338850648 UUZLIRJSPOHMDN-FHLIZLRMSA-N 487.416 2.703 50 10 JFGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 10671524 DFXCOUAUBKAHAH-ZDUSSCGKSA-N 461.540 2.839 50 10 JFGE C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736502 ZUADFFHSHFLXRW-INIZCTEOSA-N 454.552 2.816 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1 14662537 UVSOFKHSQUMTIP-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE NC(=O)N/N=C(\N[C@H](C=O)Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 95931947 VBDBYNIAIXDBOZ-ZEQRLZLVSA-N 487.560 2.906 50 10 JFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OCc1ccc(F)cc1 254679407 ZILQBLJIIFVAHL-UHFFFAOYSA-N 494.487 2.847 50 10 JFGE C=C[C@H](C)ONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1557339032 HQARWDYXDJLGMJ-LERPTODRSA-N 458.316 2.717 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745610 CPWCOUCGTFGHGL-UHFFFAOYSA-N 489.488 2.970 50 10 JFGE O=C(CCc1ccccc1Br)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770948 CVRJNBLMOGQSKB-UHFFFAOYSA-N 489.395 2.880 50 10 JFGE Cc1c(N)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887551737 FQJIBAAZRIITNM-UHFFFAOYSA-N 499.420 2.941 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 1910947989 VHJFERFQWLPOTD-HUUCEWRRSA-N 479.665 2.627 50 10 JFGE CC(C)(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2012892470 SEJGYAXRGNUWCN-CVEARBPZSA-N 457.390 2.886 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2024779811 BKCQYAUXVAXTDI-KKBVYLPWSA-N 455.374 2.544 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(COCCCl)CC1 2167400288 PGSSJMPAYUNQGS-UHFFFAOYSA-N 456.992 2.750 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2257379717 JUKAYBVRWIQZQQ-HSZRJFAPSA-N 492.406 2.998 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2273664921 PRUMAVJPMQQDEQ-XKSSXDPKSA-N 457.131 2.762 50 10 JFGE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)CI 2306810931 YOJUVDCFNKKMMN-ZDUSSCGKSA-N 454.349 2.932 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)C1CCOCC1 2353568175 DLVLNPMWNZFJBF-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccccc21 10736712 QXNABRIEPHRBEM-UHFFFAOYSA-N 480.590 2.529 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1 14657243 WQENIABUIUSVHA-UHFFFAOYSA-N 459.568 2.858 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br 14661462 ZVETXORCYZXGLT-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658470 AMRXHZHKIWUAJY-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE COc1cccc(-c2c(C(=O)NN=C(C)c3cc(C)sc3C)nnn2-c2nonc2N)c1 254440968 VITCTPOUHNCLET-UHFFFAOYSA-N 452.500 2.740 50 10 JFGE NNC(=O)CCCOc1c(I)cc(Cl)cc1I 383641869 BPOPLDRQUYXIFF-UHFFFAOYSA-N 480.471 2.698 50 10 JFGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 727942710 ZMOOFLJQTBWCKJ-OAHLLOKOSA-N 462.535 2.915 50 10 JFGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)c1 1306838508 FGWPJVZUMORXLL-UHFFFAOYSA-N 455.290 2.579 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851427 BNSOUCQHBWWHOH-MNOVXSKESA-N 473.486 2.652 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 1903702573 OHIKYKITTDBHJS-IBGZPJMESA-N 465.638 2.946 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2022842843 KFTVLLWDVIWWAM-HXUWFJFHSA-N 479.665 2.771 50 10 JFGE C[C@@H]1C[C@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2052375230 QWIWNKTTZAGSKS-PJIJBLCYSA-N 475.380 2.836 50 10 JFGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1nc(C)n(C)c1Br 2136492590 PVWZRPLIBMKDBG-APPZFPTMSA-N 464.167 2.619 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OC2(CCC2)C1 2165764942 NOLWDMKHVPJADT-OAHLLOKOSA-N 499.427 2.657 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2255487097 JVYFDGZFTREZKG-UHFFFAOYSA-N 479.343 2.793 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCl)CC(F)(F)C1 2266914470 XQCACQAHPVCQOU-MRXNPFEDSA-N 452.882 2.585 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 2314808157 GXBZKLYQXSQOKZ-UHFFFAOYSA-N 469.450 2.566 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C[C@H]1C(F)(F)F 2361445638 CFMZJDWNSJPUDF-WHCBVINPSA-N 470.872 2.975 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)OCC1(C)C 2364024978 RWLNMSZRTZLDJY-SSDOTTSWSA-N 473.991 2.960 50 10 JFGE CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629919 YYRQPICHPCGUQV-CQSZACIVSA-N 464.316 2.639 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2F)c1C 29900568 AHKHWNHINYXCBF-UHFFFAOYSA-N 457.531 2.910 50 10 JFGE O=C(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NN=Cc1ccccn1 254410904 IECUEPDMLUPKJC-XMMPIXPASA-N 498.543 2.667 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254567800 YCTRAXLWRQMRNO-KEYBJCOKSA-N 495.630 2.551 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)CCC2CCCCC2)cc1 727348126 NWSJQFGIMOAHBY-OAQYLSRUSA-N 463.600 2.940 50 10 JFGE CN(CCOc1cccc(CNC(=O)NNC(=O)c2cn(C)c3ccccc23)c1)C1CCOCC1 728066582 UAKRKNUVRWQDLF-UHFFFAOYSA-N 479.581 2.812 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)C2=COCCC2)ccc1Cl 730769956 SZTHAZPQZLIAAT-UHFFFAOYSA-N 465.915 2.605 50 10 JFGE CCCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1772760270 PVHKLTJTXQREEI-AWEZNQCLSA-N 469.567 2.926 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1 1865759957 ADPFXUZVCJLPRJ-HNNXBMFYSA-N 458.474 2.511 50 10 JFGE O=S(=O)(c1csc(CBr)c1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2123232115 MCPCCWWVUSYAPH-ZWKOTPCHSA-N 457.415 2.917 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2299772153 PSYRIVPUXQWOCT-LIRRHRJNSA-N 455.374 2.642 50 10 JFGE O=C(NC1(C(=O)Nc2cccc(B(O)O)c2F)CC1)OCC1c2ccccc2-c2ccccc21 2302868397 TWMUMZODDIZJQT-UHFFFAOYSA-N 460.270 2.515 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2364228290 KUHIKPMZNPWBKO-MADCSZMMSA-N 471.975 2.714 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450725 YGMNTAXSDBZAIH-IZZDOVSWSA-N 455.496 2.538 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C2CCCCC2)cc1I 12571838 WMBMBHHUXREXJA-UHFFFAOYSA-N 461.325 2.516 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3)c2N)cc1 40759470 BGIPMIMFVALYGD-UHFFFAOYSA-N 455.544 2.590 50 10 JFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccc(F)cc1 101568009 DMMGBHRGJVSSFC-UHFFFAOYSA-N 480.287 2.784 50 10 JFGE Cc1ccc(OCC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 254287650 FGOVIZHZLRNMAH-UHFFFAOYSA-N 456.502 2.557 50 10 JFGE Cc1ccc(OCC(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254738396 XVJWQYOFLGBYEH-UHFFFAOYSA-N 470.529 2.600 50 10 JFGE O=C(N[C@@H]1COC[C@@H]1Br)c1cc(I)ccc1Br 323086671 WHOFHZPUCLJFHZ-VHSXEESVSA-N 474.918 2.946 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H](CBr)C1 703854368 DAUFFQOKOGDZCZ-ZETCQYMHSA-N 452.621 2.864 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 728086748 XGTMGNMWNYZXQD-WSLMLHKMSA-N 451.479 2.804 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cccc(C(F)(F)F)n2)cc1 1472516745 KUMBLSMVMNXSMR-UHFFFAOYSA-N 458.462 2.847 50 10 JFGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687137 KFNQARGWCXECIE-QFIPXVFZSA-N 467.570 2.793 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852426 WACZURSGHVIVOD-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)N(CCCl)CCCl)c1ccccc1 1866327175 WTXHHLVUSHUHMT-QZTJIDSGSA-N 482.316 2.828 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2046024779 CZNWOLIFORIHLM-AGRHKRQWSA-N 473.364 2.590 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046680358 SVZKPMFUPGFJQX-LSDHHAIUSA-N 471.417 2.992 50 10 JFGE CC(C)C[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2057122952 OSDYVAKFZHXIRG-AUUYWEPGSA-N 477.396 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199772736 JQCPHCIGXQRYGD-KFKAGJAMSA-N 499.427 2.657 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2268610501 RZLFBSDCNDAGGN-AREMUKBSSA-N 484.361 2.819 50 10 JFGE CCN(C[C@@](C)(CBr)O[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270094614 JJXTUISOJPDZBI-WMLDXEAASA-N 457.431 2.838 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2OCC[C@]2(CBr)C1 2296378848 VHOVEEZDGGIDGQ-OCCSQVGLSA-N 452.086 2.623 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1scc(C)c1B(O)O 2301663520 AKPPJWZXXAQEHN-OAQYLSRUSA-N 478.379 2.670 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(B(O)O)cc1C 2301723427 SKEHEQNFVPJBGK-OAQYLSRUSA-N 478.379 2.670 50 10 JFGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3)cc2)cc1OC 33959262 HOWUOSKEWVUXQN-JFLMPSFJSA-N 461.474 2.803 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594075 AVCVRRYDHHNWEX-UHFFFAOYSA-N 484.400 2.598 50 10 JFGE O=C(/C=C\c1ccc(F)cc1)NC(=S)NNC(=O)c1ccccc1I 96577891 GKQPDIHRXGAYPC-YFHOEESVSA-N 469.279 2.779 50 10 JFGE O=C(CCCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O 254705094 NTOYMBQOIDRNFA-UHFFFAOYSA-N 456.499 2.840 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 727727504 FJXSOWPNVKKSHV-SKNDAOLGSA-N 492.624 2.968 50 10 JFGE CC(C)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859003464 MPWBZJOAYAFNFB-UHFFFAOYSA-N 453.448 2.526 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860770735 VFOFCHPZTBAYQM-AWEZNQCLSA-N 488.635 2.890 50 10 JFGE CC1(C)CC[C@@H](Br)[C@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1927088731 CHYLLOLMBWBUPJ-XJKSGUPXSA-N 457.390 2.792 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](F)(CBr)C1 2039796440 IMXUPYDUYADEFE-IBGZPJMESA-N 475.380 2.838 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2046024145 YCZNLMZXADWHFC-UPRAQXHNSA-N 475.380 2.694 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1Cc2ccccc2[C@@H](CBr)C1 2056067873 HAHBWQMIDXZXQO-HNNXBMFYSA-N 463.353 2.607 50 10 JFGE CO[C@H]1[C@@H](CBr)N(C(=O)c2ccccc2I)C[C@H]1OC 2233356214 PAWDETYOJPFGOB-UPJWGTAASA-N 454.102 2.541 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2256627722 BTLVWORMKPXWDX-GYCJOSAFSA-N 492.406 2.998 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC2(CBr)CC(F)C2)C1 2280360893 XXSPAEZFGQDVHM-XVTSOASTSA-N 450.393 2.853 50 10 JFGE Cn1cc(I)c(CN2CCOC3(CCC(Br)CC3)C2)n1 2367607311 UDYYPIRQSMQEPL-UHFFFAOYSA-N 454.150 2.933 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CBr 2381134593 FILSJPWXIRBUIM-KRWDZBQOSA-N 499.427 2.515 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 14660666 GKHKCUKLGMHCDS-UHFFFAOYSA-N 459.568 2.858 50 10 JFGE CCn1cc(C(=O)NNC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)c(=O)c2cc(OC)ccc21 32605295 FGFCYTONYQPOND-UHFFFAOYSA-N 466.881 2.600 50 10 JFGE O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 100888350 LXKZFEITSQDMHC-QOMWVZHYSA-N 476.470 2.788 50 10 JFGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 217211314 WZRLRDOKZKUMIQ-ZBMSZTRUSA-N 468.579 2.876 50 10 JFGE O=C(Cc1csc(-c2nc[nH]n2)n1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 729856113 LRIDJAMJOBWMIR-UHFFFAOYSA-N 452.471 2.650 50 10 JFGE CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 750839637 HGELHQIVMCKJSJ-LJQANCHMSA-N 494.013 2.632 50 10 JFGE COC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084275473 MJYMVOLZQXXHNQ-QGZVFWFLSA-N 479.327 2.973 50 10 JFGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NN(C)C(N)=O)c1 1295200008 BWLIYVMSKWLIMC-UHFFFAOYSA-N 456.446 2.742 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)c1cc(Br)cn1C)c1ccc(Br)cc1 1478896692 QPHKZUDQYWJNOA-CYBMUJFWSA-N 454.122 2.869 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1C 1860771120 KMRWFWLZUZDMOS-UHFFFAOYSA-N 462.531 2.968 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771751 GRSNLYKSJLPMMJ-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE CN1CCN(c2ncc(I)cc2Br)[C@@H](CBr)C1 2015762283 JCYNXYKMCAFOST-VIFPVBQESA-N 474.966 2.964 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2032666094 KGWSMUBWIFVOGT-OAHLLOKOSA-N 479.343 2.887 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCCC1 2046028532 JCYNLDGBOXEHNV-GOSISDBHSA-N 475.380 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 2046035481 RVCSDKBQFILJEK-ACJLOTCBSA-N 473.364 2.590 50 10 JFGE CCN1CCC[C@@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2056495168 BAIXQLMHPKABNL-WCBMZHEXSA-N 465.176 2.998 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@@H]21 2175944810 RUKOUMYZFXRQGW-RBSFLKMASA-N 466.442 2.714 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 2316824464 MFHRLLGIQSEGRF-MGPUTAFESA-N 469.401 2.890 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC 12503676 JLBBUVIEZVGODK-UHFFFAOYSA-N 488.349 2.734 50 10 JFGE COC(=O)[C@H](Br)CNC(=O)c1cc(I)ccc1Br 234549062 FGCDVHLYXKGSPQ-SECBINFHSA-N 490.917 2.720 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1 1083892454 BVUMAOZTVCVBKK-UHFFFAOYSA-N 457.508 2.638 50 10 JFGE COc1cccc(N2C[C@H](C(=O)NCCNC(=O)CCCC[C@H]3CCSS3)CC2=O)c1 1860191862 OKVSWDLLIDJHBP-APWZRJJASA-N 465.641 2.995 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccc(Br)cc4)c(=O)c23)C1 1860769637 BLHZOOXMAXYAFO-LBPRGKRZSA-N 489.395 2.735 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1910972375 ZUJXYAJEZJCEAJ-LSDHHAIUSA-N 477.649 2.593 50 10 JFGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087185 FKPKRQKBDLFREK-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC(F)(F)CBr 2012619606 GKLBHGWZPDAHIS-UHFFFAOYSA-N 467.332 2.649 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C[C@@H](Br)C(F)(F)F)CC1 2163061927 JAZAITOKDDIDST-QWHCGFSZSA-N 458.319 2.856 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCCCI)C1 2248249390 LKTFBTLRDJDPKF-CQSZACIVSA-N 453.365 2.555 50 10 JFGE Cc1cc(B(O)O)ccc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248899383 LOQSIBJHKWEDLY-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851015 WOFYYROGTSYDIE-CVEARBPZSA-N 487.416 2.657 50 10 JFGE OB(O)c1cc(Br)cnc1OCc1cc(Br)cc(Br)c1 2362257478 IALFMFSMPMZZCK-UHFFFAOYSA-N 465.732 2.628 50 10 JFGE COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2ccc(I)cc2)c1 27498103 XEMUVKSQGQOFTG-RGVLZGJSSA-N 467.263 2.874 50 10 JFGE N#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505805 DFTPMZWJDXDGCT-GFMRDNFCSA-N 457.578 2.525 50 10 JFGE O=C(NN=Cc1cc(O)ccc1[N+](=O)[O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254591772 BGTXXLQSIGDUHY-VELNVZKLSA-N 474.429 2.950 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC#N)cc1)c1cccc(C(F)(F)F)c1 254696412 QZEANZLNUNVOFO-UHFFFAOYSA-N 454.430 2.524 50 10 JFGE CCOc1cc(C=NNC(=O)CNC(=O)c2ccncc2)ccc1OC(=O)c1cccs1 254833430 PVOLGLIGXBINLU-UHFFFAOYSA-N 452.492 2.641 50 10 JFGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)c1cccc(OC(F)F)c1 728487831 DBHCDRNANVUADJ-UHFFFAOYSA-N 468.420 2.516 50 10 JFGE CC1=C(C(=O)NN=Cc2ccc(O)cc2O)[C@@H](c2ccc(Br)cc2)NC(=S)N1 1084145056 ZENOZFIHQWOZCE-QGZVFWFLSA-N 461.341 2.803 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770954 DEJRDZOBLXCLEG-UHFFFAOYSA-N 481.361 2.870 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 1872962018 OHXHUZJCVULSDM-JKSUJKDBSA-N 486.370 2.579 50 10 JFGE C[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087204 FKPKRQKBDLFREK-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 1942097050 GAVQUXSHYUHJQA-AUUYWEPGSA-N 457.390 2.746 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189045344 VYZRYXRLQQDZFC-YFKFIEJBSA-N 454.077 2.912 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1OC 2295672366 QIGMYGFRURPTGG-UHFFFAOYSA-N 495.576 2.689 50 10 JFGE COc1ccc(NC(=O)C(C#N)=Cc2cnc3c(c2)c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 2297493742 FBXSOGCXYLMJBM-GOSISDBHSA-N 451.508 2.654 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H](Br)C1CC1 2301116544 GSKSFPJIGPETML-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE CC[C@@H](NC(=O)C(C#N)=CNCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2325086316 CFRSSUHCRCUELB-HSZRJFAPSA-N 452.580 2.977 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016363 VQPXWBUNIKRXGR-UHFFFAOYSA-N 471.579 2.742 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253320317 OIAWKHFSULEVAF-KBNHYNJJSA-N 472.655 2.591 50 10 JFGE O=C(NNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)c1ccc2c(c1)OCCO2 824031933 GFHWJKFFGWVZHG-UHFFFAOYSA-N 493.969 2.554 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(O)cc2)cc1 1084576225 XUAUFYQNBVLBKO-UHFFFAOYSA-N 494.573 2.734 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 1136110567 NYOFHBVOUBHEPX-SFHVURJKSA-N 457.284 2.743 50 10 JFGE CC(C)(C)[C@H]1[C@@H](Br)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2012892473 SEJGYAXRGNUWCN-JKSUJKDBSA-N 457.390 2.886 50 10 JFGE O=C(Cc1ccccc1I)N1CCCN(CCBr)CC1 2143868948 UIFHGIAXUWSWNT-UHFFFAOYSA-N 451.146 2.763 50 10 JFGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(S(=O)(=O)c2cnn(CCBr)c2)C1 2179811493 IQAJBENUEIINSH-IAGOWNOFSA-N 455.422 2.809 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN1S(=O)(=O)N1CCC(Br)CC1)C2 2200723133 LWSOHRWFKUAYDX-KDOFPFPSSA-N 466.442 2.860 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(Br)cc(Br)c1 2231665945 AJFDDGUMYBWFRX-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE Cc1cc(B(O)O)c(C(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1Cl 2255726586 WAKZKAOYOGTBQN-UHFFFAOYSA-N 458.751 2.590 50 10 JFGE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)N(C)C(=O)C(C#N)=C1C 2297455781 VNYHEISWWJMHCX-UHFFFAOYSA-N 466.519 2.939 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC(F)(F)C(F)(F)CBr 2314940733 PPAOCRNAWWGFSV-UHFFFAOYSA-N 489.285 2.648 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2333390759 RJJFOJCIWZXXEP-AQNXPRMDSA-N 487.391 2.886 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1 12503421 NPGZINJOAGJSKR-UHFFFAOYSA-N 492.985 2.867 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)Cc1ccccc1 12571260 XXIJLMNOWVIIPI-UHFFFAOYSA-N 453.351 2.977 50 10 JFGE COc1ccc(/C=N/NC(=O)C(F)(F)F)cc1CN1C[C@@H]2CC[C@H](C1)Cn1c2cccc1=O 20258489 GFISPPCTBCTOIQ-GJGYAZFRSA-N 462.472 2.879 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)cc1 1667609119 QJFHEKCXJMKUDQ-HNNXBMFYSA-N 450.499 2.766 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 1940522634 CSXQXSOBXBMLOT-CPUCHLNUSA-N 455.374 2.640 50 10 JFGE Cn1ncc([C@H](Br)c2cc(S(C)(=O)=O)cs2)c1I 2032176100 HCJQFAJBVQISRX-VIFPVBQESA-N 461.144 2.974 50 10 JFGE CC(N)=C(C#N)C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 2040417009 MVAYRWCEHTYRPC-UHFFFAOYSA-N 458.503 2.912 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@]3(C)C2)c1CBr 2179811909 NUBMUJBYWRDUCU-VQIMIIECSA-N 453.406 2.756 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2201762137 DXNMNGAZMXPAIJ-YMTOWFKASA-N 452.086 2.765 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2300198587 TXPQFXKIMXPXNS-JKIFEVAISA-N 455.374 2.640 50 10 JFGE CC(C)(CI)CN1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2306818528 LHGRUWZZMXZAHX-CBBWQLFWSA-N 452.377 2.901 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2318673163 KRWBZUPFNMINPP-JOCHJYFZSA-N 480.276 2.900 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976338 NPFLRBCDZZYIQU-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(SC[C@H]3CCCO3)c([N+](=O)[O-])c2)c1 20664175 DGHGBKRYAGGAJA-OAHLLOKOSA-N 461.496 2.958 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 207202531 JVVIPQMLLHIFEI-GYICUJRQSA-N 473.485 2.982 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1C 727363758 BLUFPDKTVIQFCR-UHFFFAOYSA-N 452.555 2.794 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(O)cc2)cc1 1083891766 QJTDYUJQYCICRR-UHFFFAOYSA-N 467.547 2.785 50 10 JFGE CCN(CC)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872962255 RSKSTIXIRZKUPZ-LEWJYISDSA-N 492.624 2.971 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(C)(C)[C@H]1CBr 1944084984 AXBCUVWKHOBTLU-OAHLLOKOSA-N 457.390 2.744 50 10 JFGE CC(C)(C)OC(=O)NCc1ccc(CNS(=O)(=O)CI)c(F)c1 1983328630 ZTOVJNOAWNNZSE-UHFFFAOYSA-N 458.293 2.662 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CC1 2000540552 FWZHYXCWTPBMLZ-KRWDZBQOSA-N 461.353 2.638 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Br)CC1 2000540812 QODUGUCUHPQZJG-SCLBCKFNSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC[C@@H]1CCCC[C@@H]1Br 2009451139 JVWZSTHYGVWOBF-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CC2)C1 2046035484 RVCSDKBQFILJEK-UGSOOPFHSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCC2(CBr)CCOCC2)CC1 2106787434 YYOXMJCCDLCUMP-AREMUKBSSA-N 454.431 2.744 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179827482 FXOCRGQQZGQXMN-MTQWCTHYSA-N 457.434 2.855 50 10 JFGE BrC[C@@H]1CO[C@H]2CN(c3ncc(Br)cc3Br)C[C@@H]2O1 2265028661 YMSWVIHHIWFMSO-MIMYLULJSA-N 456.960 2.974 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2316815297 LYLDPAATASSKEI-JCGIZDLHSA-N 469.401 2.888 50 10 JFGE BrCCOCCOCc1cn(Cc2sccc2I)nn1 2364025554 ZHSNVYIKYQIODS-UHFFFAOYSA-N 472.146 2.921 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658144 LZGFSHVYJGVTFR-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc([N+](=O)[O-])c1O 169918179 PWRQZPMNDDVLPT-CFRMEGHHSA-N 450.451 2.981 50 10 JFGE CCN(CC)CCO[Si](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC 195479158 NQESJUSXUOPEDI-UHFFFAOYSA-N 492.822 2.856 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C(C)(C)C1 704003914 UQJVFOYOSIOZMW-OAHLLOKOSA-N 457.390 2.744 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(N3CCCC3)nc2)cc1 920853014 FPEHKKDLOZIEAF-STZFKDTASA-N 499.575 2.653 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1OC 1084090571 VNDCLQZVPJIOKN-UHFFFAOYSA-N 491.371 2.681 50 10 JFGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)[C@@H](C)CO)ccc1Cl 1557202941 QSZGCUMIOGQNGX-AWEZNQCLSA-N 455.939 2.818 50 10 JFGE CC(C)Oc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962486 UMFSDLUWEFXZGL-OALUTQOASA-N 465.554 2.604 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@](CF)(CNC(=O)OC(C)(C)C)C(=O)O 1904430299 PTXBAVLUJUOEHC-GOSISDBHSA-N 471.617 2.800 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)CC(F)F 1942090702 YQGMLSDPRBORHL-UHFFFAOYSA-N 467.332 2.745 50 10 JFGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531684 DBDXKDCATAXILN-KZULUSFZSA-N 461.353 2.588 50 10 JFGE CC1(C)C[C@](C)(CBr)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2022110963 OAQVLVQCUCWNFX-LJQANCHMSA-N 457.390 2.888 50 10 JFGE CCN(CCOCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232572 JVZBTXASEBXFHQ-UHFFFAOYSA-N 475.405 2.516 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@@H]1Br 2046027918 DKISKHRUPWMDBF-QXMSGVSCSA-N 475.380 2.834 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2049628323 TVQSKFZWGLHXRV-HJGJAMNPSA-N 475.380 2.741 50 10 JFGE CN([C@H](CCCl)C(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122007485 YXTQBHNEGPCEIC-CJNGLKHVSA-N 458.861 2.832 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CN=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 2297471391 OCDNWTMMEJMLCF-FGZHOGPDSA-N 496.614 2.536 50 10 JFGE CCN1CC[C@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338867722 RFYNKXLPQWTNLU-RQJHMYQMSA-N 480.020 2.805 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14036180 AVPIYFPLXKOCOA-UHFFFAOYSA-N 470.595 2.988 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206641901 NMOVALLFYHTIQB-XGICHPGQSA-N 469.523 2.928 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(F)cc3F)nnn2-c2nonc2N)cc1 254816589 IYHJEKDNWFXAOS-UHFFFAOYSA-N 470.465 2.875 50 10 JFGE Cc1nn(C)c(-n2cnc(I)c2I)c1CCl 380872516 FNDNHEYHAJAHEF-UHFFFAOYSA-N 462.460 2.862 50 10 JFGE CC(=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 1083928719 GYNYSJZILRWLPJ-NSHDSACASA-N 480.392 2.831 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)C2(CCCCC2)C1 2006027739 MRNZLTFGAMUOFO-MRXNPFEDSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B(O)O 2281596977 CQBSOMPFIFRXTN-UHFFFAOYSA-N 480.292 2.942 50 10 JFGE CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12 8681686 JJWZKSJVEJRTAA-UHFFFAOYSA-N 461.526 2.711 50 10 JFGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)CC1 33559666 LAPLLJBNDZXPBA-SILNSSARSA-N 456.550 2.999 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccncc1 40658784 RMCGGIQKGBZSHT-UHFFFAOYSA-N 463.241 2.600 50 10 JFGE CCN(CC)c1ccc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1 59878877 LEHYAGPGAULGCW-CYGNYLSHSA-N 458.592 2.525 50 10 JFGE Cc1cc(O)ccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217085590 DQZYHUPQFLAADL-SQFISAMPSA-N 476.942 2.833 50 10 JFGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217229860 NCPOGYZNVVEDPX-PFONDFGASA-N 475.914 2.601 50 10 JFGE CC1=C(C(=O)NN=Cc2ccc(C(=O)O)cc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 1084645619 KHOUVOJGECZJDP-KRWDZBQOSA-N 457.284 2.926 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 1872960350 CDONZLSZGQRRCA-HOTGVXAUSA-N 475.471 2.835 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1911469310 PYCPQDFNWJKGPD-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE CC[C@H](Cl)C(=O)Nc1c(I)ncnc1I 1974850678 CKUYQBFOZIHFAO-BYPYZUCNSA-N 451.433 2.642 50 10 JFGE O=S(=O)(NC[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)N1CCC(Br)CC1 2162209619 OGHBNZSBTLAPRX-UYAOXDASSA-N 456.450 2.982 50 10 JFGE CC(C)(C)OC(=O)NCCc1nnc(NS(=O)(=O)c2ccc(CBr)cc2)o1 2203634580 NJEBRUFLULHWJQ-UHFFFAOYSA-N 461.338 2.833 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2364029406 PJIMBFIONHCFHH-XLPZGREQSA-N 471.975 2.712 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 14027229 SQHGFFOOFWPBDT-UHFFFAOYSA-N 485.718 2.884 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)CC1 40812138 PSJXSGZTQZJPOR-XIEYBQDHSA-N 482.493 2.992 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccc(F)cc3)cc2OC)cc1 254631866 RECGQIVHWWAXJE-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE Cn1cc(C(=O)NNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 726978781 DXQQUQVLCJFKIR-NRFANRHFSA-N 455.946 2.849 50 10 JFGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727296985 RAYBAUFXULOIMM-KRWDZBQOSA-N 456.518 2.704 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 1616963776 JABFJXGPVIWVHX-YPTZEEGVSA-N 459.506 2.685 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccco1)CCC2 1772746817 GSYWPWRVVHJASV-UHFFFAOYSA-N 450.451 2.735 50 10 JFGE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1858960049 DNRVMWVYYGKONH-UHFFFAOYSA-N 480.458 2.874 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C1 1872960352 CDONZLSZGQRRCA-JKSUJKDBSA-N 475.471 2.835 50 10 JFGE O=C(N[C@@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2026221541 MMGQSQNLPIEZJE-WCBMZHEXSA-N 474.918 2.946 50 10 JFGE O=S(=O)(C1CC(CBr)C1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179948686 LZSSFRZZHVWJKB-MHJFOBGBSA-N 457.434 2.857 50 10 JFGE OB(O)c1cccnc1Nc1cc(Br)c(I)c(Br)c1 2231621540 GYFBRTZYQVPHBU-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE Cc1c(NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc(B(O)O)c1Cl 2243663190 FSLDNBKOQYWRLC-UHFFFAOYSA-N 464.714 2.805 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2256622070 BTLVWORMKPXWDX-FYSMJZIKSA-N 492.406 2.998 50 10 JFGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)c(B(O)O)c2)CCN(Cc2ccccc2)CC1 2283957475 PSAVLJSTGHPSKT-UHFFFAOYSA-N 487.793 2.518 50 10 JFGE C[C@H](CCCCCI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1962272572 IRXJUYKBUGKWLR-CYBMUJFWSA-N 478.352 2.586 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](Br)C1 2003409962 LRTTYSAXXMQRER-ACJLOTCBSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2083633284 NGVOPHSQEFKQFQ-XHSDSOJGSA-N 469.401 2.888 50 10 JFGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2128863630 FTZAFHWRJVFWPH-GJZGRUSLSA-N 487.416 2.513 50 10 JFGE O=S(=O)(Cc1cccc(Br)c1)NCCOCCCI 2226104446 HPYDZPLXBDKJDD-UHFFFAOYSA-N 462.147 2.710 50 10 JFGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 2314435498 ZVLHZYYTNPDCHO-UHFFFAOYSA-N 492.557 2.685 50 10 JFGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314738151 JVXASAAQEDPXPE-UHFFFAOYSA-N 461.474 2.718 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC)c(Br)c1 12403266 GCQKFYXQNQYWIP-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2C)cc1I 12500848 SYBAJXZJAAGBKC-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cccs1 12502352 BNDQVTFMKRCGBQ-UHFFFAOYSA-N 493.202 2.988 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 13976276 FVNSJEJRWRELMX-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cn(C)c3ccccc13)C2=O 24320128 NDWVXNDUTPEDGZ-UHFFFAOYSA-N 467.570 2.856 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(Br)cc4)c3N)CC2)cc1 40727823 CFYMGXMBUORUGY-UHFFFAOYSA-N 498.385 2.913 50 10 JFGE O=C(NNC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1)Nc1ccc(Cl)cc1 104906180 KQGPVYUGIDOYLQ-KXBFYZLASA-N 469.929 2.537 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1ccncc1 1083885796 AFHZUIGAOOAXFE-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccc(O)c2)cc1 1084179689 KNXDIOCDHXMVGZ-UHFFFAOYSA-N 467.547 2.785 50 10 JFGE C=CC[C@@]1(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1466584763 NMYIINXPOBLTNZ-QFIPXVFZSA-N 454.568 2.785 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@H](N)C(=O)O)/C(=C/C(=O)O)C1 1848438451 BHQAMABUPJQDIU-ZPDWIULQSA-N 489.015 2.823 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1959544149 PNJXPQKXFAOQEY-AWEZNQCLSA-N 458.021 2.543 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CCC2)[C@H](CBr)C1 2034215195 BNPQLAXIYNHQKY-OAHLLOKOSA-N 469.401 2.890 50 10 JFGE O=S(=O)([C@@H](CBr)C1CC1)N1CCOCC12CCN(Cc1ccccc1)CC2 2179831698 AAFUUCZOGBIDOU-IBGZPJMESA-N 457.434 2.857 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248405086 OVCBJWXQYCJOKZ-LHSJRXKWSA-N 479.367 2.715 50 10 JFGE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cc(B(O)O)cs1 2302678091 FGZFRMIFERSSFT-HNNXBMFYSA-N 476.363 2.676 50 10 JFGE COC[C@@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822045 MRDWVCOBCHUJJI-LJQANCHMSA-N 475.405 2.562 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 2323419727 QZZISPIZLSZFKP-UHFFFAOYSA-N 460.515 2.994 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc(OC)c1OC 12503661 MXUNNOUDHMAUNS-UHFFFAOYSA-N 455.492 2.521 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1I 13619627 HEPYSUGTLPJMHE-MRXNPFEDSA-N 496.301 2.932 50 10 JFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)cc1 40793419 DSKNDWIJGWCIIR-UHFFFAOYSA-N 482.353 2.736 50 10 JFGE C=CCn1c(CCc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NNC(C)=O 59877697 SCTPQCVBPCUTGG-GFCCVEGCSA-N 499.378 2.502 50 10 JFGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(O)cc2O)NC(=S)N1 1084266669 JJKVIBHBUGJQJM-QGZVFWFLSA-N 461.341 2.803 50 10 JFGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1618671028 ALABTIPGNDEDRE-RPWUZVMVSA-N 462.594 2.522 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C2CCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859007579 WVAJHDHOSTUHLA-UHFFFAOYSA-N 465.459 2.670 50 10 JFGE CCN(CC)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962116 PYLJCRFVGKFNTG-UXHICEINSA-N 478.597 2.663 50 10 JFGE CN(C[C@@H](Br)C1CCCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2002411416 VKYNNNSHDUGRCA-QGZVFWFLSA-N 457.390 2.888 50 10 JFGE CN([C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106782879 UWZJHCUZBFGSBG-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2230591285 DKDYNFSZWMGQLC-JOYOIKCWSA-N 457.131 2.764 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2295923785 YCXBGOGVNJOCMN-UHFFFAOYSA-N 470.532 2.956 50 10 JFGE C[C@@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 2296532744 UEYRWEFMISMUDN-HUUCEWRRSA-N 459.462 2.655 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2317611701 CXRHKSADHUTYIH-QRQCRPRQSA-N 493.394 2.660 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1ccccc1C 2323627826 AKYCJDSQKMASNL-UHFFFAOYSA-N 450.451 2.953 50 10 JFGE CCCCOc1ccc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1OCC 2323666311 PAPAUTUFCZTFMA-UHFFFAOYSA-N 453.503 2.721 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 2325219564 AIMBCGKZLMSROD-UHFFFAOYSA-N 454.395 2.635 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976690 GROLBPGSKCAZGD-UHFFFAOYSA-N 457.295 2.925 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 30768328 CLMMMYPDAWGHJG-UHFFFAOYSA-N 454.264 2.702 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCCN(CCBr)CC1 236566791 DHKFZMUOLKSDBJ-UHFFFAOYSA-N 453.118 2.540 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)c1ccccc1 703975675 XJYDSPHMZCLLMS-QGZVFWFLSA-N 451.342 2.728 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(O)c2)Cc2ccccc2)cc1 1084347289 SZZKGFQCAHECOB-UHFFFAOYSA-N 480.546 2.692 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(-n3ccccc3=O)cc2F)cc1 1626252384 ZLFXLCKEKCHZRR-OAHLLOKOSA-N 452.442 2.799 50 10 JFGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709574 DCNSTUVZLVBBSQ-IBGZPJMESA-N 461.434 2.993 50 10 JFGE COc1ccccc1-c1nc(CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671806 SIFWGFFCORQITA-LJQANCHMSA-N 466.519 2.890 50 10 JFGE CC[C@H](Br)[C@@H](CC)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534159 UQPRZMNEKVJXPE-HDMKZQKVSA-N 463.369 2.882 50 10 JFGE CC(C)[C@@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543081 LWAHOSAEUOZYGJ-MAUKXSAKSA-N 463.369 2.740 50 10 JFGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046019410 NWEKODHLBRQGBV-PJIJBLCYSA-N 475.380 2.694 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(N)cc3Cl)CC2)cc1 2325405719 HABYSFRWRAFUEZ-UHFFFAOYSA-N 459.959 2.583 50 10 JFGE NNC(=O)c1sncc1COc1cc(Br)cc(I)c1 2338895741 CYOWUESZSUWYHD-UHFFFAOYSA-N 454.087 2.693 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 14022002 IHQSBIHCURZGQW-UHFFFAOYSA-N 494.367 2.730 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 102686901 WANHRZKSMWQAMH-RVQWUSFHSA-N 498.587 2.532 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 103782720 MKPMNZFVMWYSAP-QAARYJCBSA-N 496.589 2.682 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 207085292 FGVKPNJPLHDXMD-SXGWCWSVSA-N 454.395 2.700 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C/C(Cl)=C\c3ccccc3)CC2)cc1 254343313 NCUNJPPMTBIQJR-ZUGWQECOSA-N 460.987 2.683 50 10 JFGE CC1(C)C[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](Br)C1 703948184 IOERFXGSHIFRAN-UONOGXRCSA-N 457.390 2.934 50 10 JFGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084255096 CMRCGPUVGPLQLY-UHFFFAOYSA-N 494.573 2.995 50 10 JFGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769979 OBIVRAJZABPIOG-ZDUSSCGKSA-N 456.593 2.907 50 10 JFGE Cc1nnc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867032691 JREHJPYIBRNFBX-RTBURBONSA-N 451.508 2.589 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCCCI 1928301359 OASPOELBKNNVDJ-UHFFFAOYSA-N 478.352 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]1(C)CCBr 2025227843 JQLHWBNUQDZCRS-ZWKOTPCHSA-N 461.353 2.590 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)cc(Br)c1 2121337872 PFSBRFNUBWRISV-ZJUUUORDSA-N 475.984 2.502 50 10 JFGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623522 KHKCOPYWOYUNFN-FQEVSTJZSA-N 482.606 2.796 50 10 JFGE CC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 13982500 KEJGDIPGIQUODV-UHFFFAOYSA-N 475.162 2.785 50 10 JFGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 59464023 SZQQETLPPWOTFD-YDZHTSKRSA-N 452.492 2.763 50 10 JFGE O=C(NC(=S)NNC(=O)C(Oc1ccccc1)Oc1ccccc1)c1cc2ccccc2oc1=O 110363784 KCRFEXZIIAUIFP-UHFFFAOYSA-N 489.509 2.913 50 10 JFGE COC1=C/C(=C/NNC(=O)CCCc2ccc(OC)cc2)C=C(I)C1=O 135963616 RLVXQGFDQSXYEE-WYMLVPIESA-N 468.291 2.955 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 703959068 WLXUIYNHVRXRAW-CYBMUJFWSA-N 493.370 2.991 50 10 JFGE C#CC[C@]1(C(=O)NNC(=S)Nc2ccc(OC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1556399206 GHVQJAQHEIBJEN-OAQYLSRUSA-N 450.536 2.945 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769804 IJXNLYRNLAPKNP-XKOZXHHJSA-N 466.563 2.842 50 10 JFGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942088116 JVNNIEJBBPNOBD-CABCVRRESA-N 457.390 2.888 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1942096357 AKRIBKNNNNOODY-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE CCC[C@@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545591 SWOOFPAVWVJPOU-SCLBCKFNSA-N 463.369 2.884 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296378846 VHOVEEZDGGIDGQ-GXTWGEPZSA-N 452.086 2.623 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC#CCCBr 2301111087 MMBZNPOFPASUDH-UHFFFAOYSA-N 455.374 2.551 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)NNC(=O)c1ccc(Cl)cc1 20923335 IWDPQGVBIWNNIK-AUEPDCJTSA-N 468.930 2.939 50 10 JFGE O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 97542406 YBQAPKHUTNPQFD-AUWJEWJLSA-N 472.523 2.634 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cccc(Br)c1 1084458233 OIMXAWWJOJNIQY-UHFFFAOYSA-N 459.373 2.782 50 10 JFGE C[C@H](O)CC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084614606 JOFOKWUUXYSKKV-ZDUSSCGKSA-N 463.275 2.963 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771384 UOHDHICTXRYRIN-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1865851661 FQHJFVMAKJYLDY-YPMHNXCESA-N 469.523 2.822 50 10 JFGE O=C(N[C@@H]1CC12CC(NS(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2086048254 UNLDVRPSOOTCEQ-TVRKMHQQSA-N 472.405 2.528 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(OCCBr)CC1 2089707820 SMJFDBMOOHSOBZ-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)ccc1Br 2121339012 WUPUAZFVFBTPLR-UWVGGRQHSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2163051180 QROKUZFKBJBHPI-GJZGRUSLSA-N 466.442 2.669 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C1CC1)S(=O)(=O)N1CCC(Br)CC1 2163051266 RLXYBJSKPLKEGF-MRXNPFEDSA-N 466.442 2.954 50 10 JFGE C[C@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@H](C)O1 2296532743 UEYRWEFMISMUDN-GJZGRUSLSA-N 459.462 2.655 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2364214634 OLDUPMPPSAPHJL-AYOQOUSVSA-N 499.427 2.800 50 10 JFGE O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 20073229 KCKDUGKHIZDZNC-SSDVNMTOSA-N 453.367 2.768 50 10 JFGE COC(=O)c1cc(NC(=O)c2oc3c(c2C)/C(=N\NC(N)=O)CC(C)(C)C3)cc(C(=O)OC)c1 101110226 RHWAJHUOULCSTH-YSMPRRRNSA-N 470.482 2.758 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Cl)ccc1I 234593173 PJZQIAUIURMHSW-SECBINFHSA-N 493.466 2.651 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)ccc2F)c1-c1ccccc1 252602707 FJQSWHNYEZHJIL-UHFFFAOYSA-N 471.250 2.565 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cc(OC)ccc1OC 1084366032 RBBRDSDJZMSYTA-UHFFFAOYSA-N 492.565 2.517 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc(Br)cc1 1084534853 RMYBIAHRPYVHJD-UHFFFAOYSA-N 488.371 2.957 50 10 JFGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)c1 1772745017 QHSBLGAGERSFJT-UHFFFAOYSA-N 452.555 2.819 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c2c1C 1860771670 CTYSBWLAAFIGRQ-SNVBAGLBSA-N 469.350 2.997 50 10 JFGE CC(C)(C)OC(=O)NC12C[C@@H]3C[C@H](C1)CC(NS(=O)(=O)CI)(C3)C2 2013340860 IXLGBHUCDZJKDW-RJAIZQQDSA-N 470.373 2.914 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)N1CCC(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1 2085352477 IHHOXKRTZGYLLI-NZQKXSOJSA-N 456.546 2.640 50 10 JFGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296835021 NSAGGUGHVNFKTJ-HOTGVXAUSA-N 450.501 2.860 50 10 JFGE COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2417128 GUKLGOGBDDMCFW-PVBMHHQDSA-N 451.508 2.858 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)cc2C1=O 14938446 TWFJJWJMKIWLML-AWEZNQCLSA-N 455.898 2.967 50 10 JFGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217182274 UWTQUYFCYIFBIZ-AJNNJPABSA-N 468.579 2.595 50 10 JFGE CN(C[C@H](Br)C1CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096595 BXRGKDXZABJTFZ-KRWDZBQOSA-N 457.390 2.888 50 10 JFGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCC(N)=O)c1 2059028210 AZFKJCPKWUFCMM-UCQKPKSFSA-N 472.548 2.567 50 10 JFGE C[C@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)cc1 2060423873 SGQWPSICPJSFKC-FZMZJTMJSA-N 468.534 2.670 50 10 JFGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2084961073 RPHBWIZZEQLSCO-ORAYPTAESA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@H]2C1 2163049587 APPHXGSBROTJLG-HIFRSBDPSA-N 466.442 2.668 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2COC[C@H]21 2189101707 ZMBVEURCDKNQEH-HZPDHXFCSA-N 461.378 2.590 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248405092 OVCBJWXQYCJOKZ-SZNDQCEHSA-N 479.367 2.715 50 10 JFGE O=C(CCc1ccccc1)NC(=S)NNC(=O)c1ccccc1I 12501881 IWYIJVOWGQNERJ-UHFFFAOYSA-N 453.305 2.560 50 10 JFGE COc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)ccc1O 58987481 OZDPQBCSRWHQOP-BUVRLJJBSA-N 454.556 2.514 50 10 JFGE COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1 59463977 CQCFXJQZZFLSTR-AFUMVMLFSA-N 467.547 2.872 50 10 JFGE O=C(COC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)NNC(=O)c1ccccc1 96506470 DIAICOWEUMMMCL-NXVVXOECSA-N 479.514 2.717 50 10 JFGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 252445374 DYJCZMIONGJTBM-PTWLIDAPSA-N 459.568 2.758 50 10 JFGE CC(=NNC(=O)C(=O)NN=C(C)c1cccc(NC(=O)C2CC2)c1)c1cccc(NC(=O)C2CC2)c1 252594994 BWYMZRGZTQFXNC-UHFFFAOYSA-N 488.548 2.764 50 10 JFGE COc1cccc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)c1 254487635 PMOSWAJTIXMIGV-UHFFFAOYSA-N 456.502 2.535 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(C)cc1 254577317 BPGLGDVCIFVIKB-NRFANRHFSA-N 457.555 2.518 50 10 JFGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1ccccc1O 254765467 BCLBSUISILEVIZ-UHFFFAOYSA-N 454.464 2.646 50 10 JFGE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866610007 IYGCWCVDTUYSAO-OAQYLSRUSA-N 493.589 2.955 50 10 JFGE C[C@H]1[C@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 1983326752 DPOGYJNPCYHEDD-DTWKUNHWSA-N 472.267 2.581 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)CC[C@@H]1C(F)(F)F 2007710394 UTSXXLYMVYZMFF-ZJUUUORDSA-N 486.294 2.734 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(OCCCBr)CC1 2142520260 PTHNBUUEIVHFBE-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2217706575 REYYFSXCQQGAFL-MDZRGWNJSA-N 475.380 2.979 50 10 JFGE O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647318 UFQYLKWYYISHBD-UHFFFAOYSA-N 474.429 2.950 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860570 BZXAFZTVBBLEEK-UHFFFAOYSA-N 469.523 2.928 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@H](CBr)CO1 2338851222 XWSGPPYNCHYOMA-HZPDHXFCSA-N 487.416 2.562 50 10 JFGE CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1Cl 15092729 HVYKNDVEWGLOGP-UHFFFAOYSA-N 462.959 2.937 50 10 JFGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])c1 40619463 MSKLZCMUEWTRGL-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@H](N)C(=O)O)/C(=C\C(=O)O)C1 575626951 BHQAMABUPJQDIU-OVXXOIRXSA-N 489.015 2.823 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)c1ccccc1 703975674 XJYDSPHMZCLLMS-KRWDZBQOSA-N 451.342 2.728 50 10 JFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 725447653 VLMUCIBIBKIBCD-UHFFFAOYSA-N 488.500 2.970 50 10 JFGE CC(=O)c1c(C)cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C 1674157484 QTHAEGLFEOUKFR-UHFFFAOYSA-N 458.540 2.757 50 10 JFGE CC(C)N(CC(=O)NCC(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1868165892 VHKZSNLFGFRLKO-UHFFFAOYSA-N 464.544 2.553 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 1892720546 QOLNVLDMUJJJBU-SJCJKPOMSA-N 497.333 2.693 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@H](CBr)C2 1907249934 MOJFKWHVNWLAPD-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE Cc1nc(I)c(NC(=O)CCCCl)c(I)n1 1984093612 PNTIBSCQOLEKTL-UHFFFAOYSA-N 465.460 2.952 50 10 JFGE C[C@@H]1CC[C@@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533509 QYQJPGBZGQVNKF-VFVRVIDISA-N 461.353 2.588 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 2046025728 LNQYHSDZWJVUSM-MEBBXXQBSA-N 489.285 2.646 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2106299062 UKLGZWGMBWCPGR-ZIAGYGMSSA-N 452.415 2.516 50 10 JFGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNS(=O)(=O)N1CCC(Br)CC1 2162589078 MUCSTGAYDZTTPC-HNNXBMFYSA-N 476.384 2.715 50 10 JFGE CN(Cc1csc(B(O)O)c1)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248900341 FJRULKSUPBICHB-UHFFFAOYSA-N 478.379 2.705 50 10 JFGE CC(C)(C)OC(=O)N1CCCC(NS(=O)(=O)N2CCC(Br)CC2)CCC1 2269182095 NKQWFSVNYCLONS-UHFFFAOYSA-N 454.431 2.860 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 2316815316 MFHRLLGIQSEGRF-YWZLYKJASA-N 469.401 2.890 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)c1 13976105 BZVCDYCVRNKZTB-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1 1466201879 BRUFUFYRMMGRMN-UHFFFAOYSA-N 454.430 2.591 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 1860770055 QWNMETPZCIGUAQ-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867060036 ANABQLVRSLDQTD-SFHVURJKSA-N 453.549 2.827 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 1883275234 RKKZKIVTVVEOCF-JKSUJKDBSA-N 487.416 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2041459840 KHXMVHGKTMCAFN-FOIQADDNSA-N 469.401 2.890 50 10 JFGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027919 DKISKHRUPWMDBF-UESRRSCYSA-N 475.380 2.834 50 10 JFGE CC(C)(C)OC(=O)N1C[C@]2(C)CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2163050559 KUXYWTHPWXKGNB-QZTJIDSGSA-N 466.442 2.669 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2C)c(Br)c1 14563333 CVPLHHGVSCOTMJ-UHFFFAOYSA-N 464.385 2.963 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc(C)cc4)c3[N+](=O)[O-])CC2)cc1 40611220 VOHIVJWZWGESFM-UHFFFAOYSA-N 463.498 2.785 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc([N+](=O)[O-])c1O 169920780 MKNFQMUYYVJIGM-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE Cc1ccccc1C(=O)Oc1ccc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)cc1 254379200 BRNSJJHATDGLOU-UHFFFAOYSA-N 451.504 2.643 50 10 JFGE COc1cccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1O 1084632381 SXZBMHOAUJGOIF-UHFFFAOYSA-N 454.556 2.514 50 10 JFGE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1617995444 KHYNVRJQPDZXND-ZRDIBKRKSA-N 456.446 2.743 50 10 JFGE O=C(COc1ccc(O)cc1)NN=Cc1sc(=O)n(Cc2cccc(C(=O)O)c2)c1Cl 1772719848 DPRGPEQTQMMENY-UHFFFAOYSA-N 461.883 2.544 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)nc2c1 1860770871 AOFUHDDVVPECBU-JSGCOSHPSA-N 464.551 2.561 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865852208 PBAVRALGISWSBI-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cccc(Br)c1Br 2121328381 BZZGRFJJRGZPRN-RKDXNWHRSA-N 475.984 2.502 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCN2C[C@H](Br)C[C@@H]2C1 2169666832 BQDGOZMQTPXXBA-MWLCHTKSSA-N 453.093 2.724 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2268602079 GBLKXTLILFQUGK-SANMLTNESA-N 486.377 2.888 50 10 JFGE Cc1c(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2268699126 FAAAGHZSUUFDRD-QGZVFWFLSA-N 476.766 2.767 50 10 JFGE CCOC(=O)C1CCN(C(=O)C(C#N)=CNc2ccc(I)cc2)CC1 2324563652 FEMCMESSGJBHSB-UHFFFAOYSA-N 453.280 2.912 50 10 JFGE COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccncc2)C(C)C)cc1 27527880 UDYOXLKYKFGGCF-JOCHJYFZSA-N 489.532 2.558 50 10 JFGE COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40658821 FOMXTCYXBJWYSA-UHFFFAOYSA-N 469.285 2.838 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccn2)CCC3)cc1 101606007 SJMPBSPWAYEKBA-YZSQISJMSA-N 461.478 2.537 50 10 JFGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCCN1CCCC1=O 216750039 PMZOYWFAYWAURZ-LVWGJNHUSA-N 471.605 2.930 50 10 JFGE Cc1ccc(-c2c(C(=O)NN=Cc3ccccc3C(F)(F)F)nnn2-c2nonc2N)cc1 254293096 FNZUDJRWQDZKBP-UHFFFAOYSA-N 456.388 2.991 50 10 JFGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 254397968 GZMYCEUEAFIQOF-UHFFFAOYSA-N 496.589 2.660 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ncc(O)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 504169299 QDDZYKQFTBFTMS-AITUJVMLSA-N 487.702 2.559 50 10 JFGE biogenic CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1522791748 TVPGVWNNFSEEBN-HXUWFJFHSA-N 456.543 2.745 50 10 JFGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(OC)c1 1858082009 YIIYADSIPMVYHI-UHFFFAOYSA-N 451.501 2.674 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860770783 XEGZQBKOFFCJGQ-VXGBXAGGSA-N 480.999 2.807 50 10 JFGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687258 NFEOQMIIDBXVAH-GOSISDBHSA-N 493.486 2.860 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 1942090123 UNOMFDMAYVQOLT-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CN(C(C)(C)CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533858 SEYSOTBPHSYJEV-SFHVURJKSA-N 463.369 2.836 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cccc(Br)c1Br 2121328378 BZZGRFJJRGZPRN-BDAKNGLRSA-N 475.984 2.502 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2301721823 CHCSXFWQYSIMGV-QHCPKHFHSA-N 458.323 2.931 50 10 JFGE COc1ccc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2317457970 PASZRVZAUZYKMC-UHFFFAOYSA-N 474.322 2.631 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(C(=O)O)c1 2324097641 NARJRJHJCKYHIA-UHFFFAOYSA-N 490.925 2.517 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2338837289 PGHVAEWPPAUHFT-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@H](CBr)C1(C)C 2364021221 CBCLYFCURSKNCM-SSDOTTSWSA-N 473.991 2.960 50 10 JFGE Cn1ncc(C(=O)N2C[C@H]3CC(CBr)C[C@@H](C3)C2)c1I 2368387525 KTRHSHJEKAKMJZ-QWRGUYRKSA-N 452.134 2.908 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2C)cc1I 13993989 NFLOJMJHMJKGOL-GFCCVEGCSA-N 454.264 2.837 50 10 JFGE O=C(NNC(=O)c1cccnc1N1CCOCC1)c1ccccc1OCc1ccc(F)cc1 14316734 MIUQWUWBTRTCSW-UHFFFAOYSA-N 450.470 2.711 50 10 JFGE COc1cccc(C=NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)c1O 252589316 AIPRPVPORLDDEX-UHFFFAOYSA-N 464.232 2.673 50 10 JFGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729455562 LOSGWXNWKFQQCD-UHFFFAOYSA-N 495.348 2.568 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 918559124 VAAODTGQIMYYKC-KRWDZBQOSA-N 472.475 2.866 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2COc3ccccc3C2)cc1 920851184 CGJXVBZLEUZNIJ-LANLRWRYSA-N 485.544 2.709 50 10 JFGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1O 1084021414 CNNBTDGIHUVUFQ-UHFFFAOYSA-N 496.383 2.714 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)c(F)c2)c1 1567744119 VGQUAXNEWDGSSX-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE CCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859001865 APTZLUOFVGZTPG-UHFFFAOYSA-N 453.448 2.670 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)C1 1860770963 DKBQBMOVWRIKFC-QWRGUYRKSA-N 490.383 2.763 50 10 JFGE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)sc1Cl 1884980326 VFXRRMDJXPDOFF-WHFBIAKZSA-N 454.549 2.841 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCC[C@@H]1CCBr 1942994843 PYPJSKXHJTVFTA-PBHICJAKSA-N 457.390 2.936 50 10 JFGE C[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2046022202 IDLMJBJENGMAMT-HUUCEWRRSA-N 489.285 2.646 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)c(Br)c1 13978589 TUNAWYOIRJIXIB-UHFFFAOYSA-N 480.384 2.664 50 10 JFGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14664728 IZMLUEWQBYQVLT-UHFFFAOYSA-N 466.357 2.951 50 10 JFGE N=c1nc(CCCl)[nH]c(=Nc2cc(Br)ccc2I)[nH]1 388345910 ZPOZWZFSSCWDIB-UHFFFAOYSA-N 454.497 2.598 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1 1533370451 AGCFOSJJXVGZCA-ZIFCJYIRSA-N 457.390 2.722 50 10 JFGE C=C[C@H](C)ONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1557339039 HQARWDYXDJLGMJ-OJNRTJSBSA-N 458.316 2.717 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cnc3ccccc3n2)cc1 1638221463 JYXRWWOJSQVIOX-HXUWFJFHSA-N 453.524 2.519 50 10 JFGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772382 XDVAMLDTKAMYKP-ZHZWZMEUSA-N 482.562 2.776 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852284 RJAHQTMRWOXVFH-TZIYXEQSSA-N 452.536 2.767 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866595328 UGQGARSQJJTCGQ-LJQANCHMSA-N 468.560 2.954 50 10 JFGE Cn1nc(C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867100738 SCPMBVGXGKVCMC-GOSISDBHSA-N 457.462 2.668 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 1951026384 MOJFKWHVNWLAPD-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H]1CBr 2046029350 PWZGBLOEIXOXDL-LPMFXHHGSA-N 475.380 2.741 50 10 JFGE Cc1c(Cl)cc(S(=O)(=O)NC[C@H](Br)CBr)cc1[N+](=O)[O-] 2172979358 WAUYCNSYEBNQIT-SSDOTTSWSA-N 450.536 2.993 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2257350421 WCDDKYGEYBCIOC-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CC2(CBr)CC(F)C2)C1 2280360892 XXSPAEZFGQDVHM-TZGCNFNXSA-N 450.393 2.853 50 10 JFGE O=C(c1c(F)cccc1I)N1CCN2C[C@H](Br)C[C@H]2C1 2282792047 MCZULSABXBTSSS-ZJUUUORDSA-N 453.093 2.724 50 10 JFGE COc1cccc(O[C@@H](C)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314796047 RUGQGPBNKSAPAO-KRWDZBQOSA-N 466.490 2.842 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2364214643 OMNJZKHCYIIVFO-MNZLEMJZSA-N 499.427 2.515 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978733 QDWYJXOPAWAOMF-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 59247193 WEQGEWDRCSMCDC-WSDLNYQXSA-N 477.315 2.719 50 10 JFGE CCOC(=O)N(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCN 216511635 FXGPQQWACNPCLK-ATJXCDBQSA-N 461.566 2.745 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2CC2(Cl)Cl)cc1 920852879 BALREOATKDSSEQ-SBNBMVPLSA-N 462.337 2.651 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 1084005536 NWAHEFLITOVPMN-UHFFFAOYSA-N 497.308 2.792 50 10 JFGE Cc1nc(I)c(NC(=O)[C@@H]2C[C@H]2Cl)c(I)n1 1991674435 DRDIKDZNNQENNT-RFZPGFLSSA-N 463.444 2.560 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2067011394 HEOPNMLGMZKQMC-IAGOWNOFSA-N 469.401 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128153148 CQUZGMSTLCBETF-CJXDPKRBSA-N 487.391 2.979 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1CBr 2179807997 CAIVGZWGBHNCOE-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2234591369 ROQVUFOFNOSYJK-CYBMUJFWSA-N 476.384 2.715 50 10 JFGE Cc1ccc(B(O)O)cc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248899086 IYBUEXCYHDZQTN-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]1C2 2281284909 CSLBCDFUDZOMPX-VKJFTORMSA-N 461.378 2.685 50 10 JFGE O=S(=O)(CC1(CBr)CC1)N1CCOCC12CCN(Cc1ccccc1)CC2 2290074015 DJODCILZVFOTJK-UHFFFAOYSA-N 457.434 2.858 50 10 JFGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCC#N)c(I)c1 2313567568 LXRXZNQFHQIANM-UHFFFAOYSA-N 460.069 2.951 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCSC[C@H]1CBr 2316833936 IUXJKUZNZOVBKQ-ZCFIWIBFSA-N 462.005 2.898 50 10 JFGE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 10736619 KSDQELXPJCOUMX-UHFFFAOYSA-N 484.578 2.826 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccccc1F 14037652 JQGGUUGHQZLBFC-UHFFFAOYSA-N 460.712 2.956 50 10 JFGE CC(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccc(-c3csc(Cc4ccccc4)n3)cc21 40606100 UITBSMIMWXMSCX-AWEZNQCLSA-N 450.520 2.682 50 10 JFGE CC(=O)c1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1C 1672651316 PTRBYVOKNCAEEK-UHFFFAOYSA-N 458.540 2.839 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@@H]2NS(=O)(=O)CI)C1 1983330864 SUUWYZSIRDPUAZ-WFASDCNBSA-N 458.362 2.868 50 10 JFGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533022 ODUCKUNNQXAIFI-KZULUSFZSA-N 461.353 2.588 50 10 JFGE CC1(C)CC[C@@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021077 ZAQHLCRKUSJXMR-YJYMSZOUSA-N 475.380 2.979 50 10 JFGE C[C@@]1(CBr)CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025206 HJMGEXNSAFHUBE-MOPGFXCFSA-N 475.380 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2086663741 FKNUWXKVRMMYGQ-VQTJNVASSA-N 469.401 2.938 50 10 JFGE CN1C[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)[C@H](Br)C1 2090337087 OGOZHFSPICZNDF-ZJUUUORDSA-N 477.016 2.567 50 10 JFGE C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106779652 QAQMERFHKAYJDB-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 2108228427 APKAGNGNELXTAQ-VOBQZIQPSA-N 487.391 2.838 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCCC[C@H]21 2163051192 QTAGPMSSVGZGDM-HZPDHXFCSA-N 466.442 2.954 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 2173133781 LFBNGJTZMQREFX-MRXNPFEDSA-N 499.427 2.801 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 2320479820 DUXTWFIEBASDPK-UHFFFAOYSA-N 456.524 2.513 50 10 JFGE C[C@@H]1CO[C@@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338691925 XWQLIXZMEYTELM-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011486 ZXLPDBPSOWKEOY-UHFFFAOYSA-N 484.578 2.627 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)cc1 14027572 SJYBBCRJGGCBNG-FMIVXFBMSA-N 461.927 2.631 50 10 JFGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658442 LHGBTMYEGNIQKD-UHFFFAOYSA-N 452.387 2.752 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(CCO)c1C 1084443121 PECSZJAGGNRHBY-SFHVURJKSA-N 482.614 2.513 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)CI)C(F)(F)CC1 1983334378 QQDFHOLXVTZALW-JTQLQIEISA-N 468.304 2.581 50 10 JFGE CC[C@H](C[C@H](C)Br)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539887 CGYJCZCMXDBWDB-VEVIJQCQSA-N 463.369 2.882 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCC1 2000546283 ZEXJXGWEFCYECA-KRWDZBQOSA-N 461.353 2.638 50 10 JFGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2008899419 LDHASJIQPYGPPK-AWEZNQCLSA-N 467.332 2.743 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2134139098 SSYZJGHCQZXSLC-HSSSWTJBSA-N 491.354 2.679 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2256605732 NCDBIVOSZCGTGS-XMMPIXPASA-N 492.406 2.950 50 10 JFGE CO[C@H](CBr)CNS(=O)(=O)c1cc(Br)ccc1Br 2263471219 LJNSLKUZKQPKMB-MRVPVSSYSA-N 465.989 2.900 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)Cc1cc(Br)cc(Br)c1 2343449768 IVINRYUYBHCOGB-JTQLQIEISA-N 457.944 2.807 50 10 JFGE CCCCN1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c2ccccc21 3574055 YUTGMWZSLOQNQI-DARPEHSRSA-N 456.568 2.998 50 10 JFGE CCOc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 14770355 CLPVPJFBJCIPNU-UHFFFAOYSA-N 453.289 2.948 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 34718909 PTVQUYSTUPLCRZ-QNHPMTHESA-N 471.561 2.882 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619399 ANSPFIOJLPQLAS-YZSQISJMSA-N 464.453 2.978 50 10 JFGE COCCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NC2CC2)c2cc(Br)ccc21 1084516594 GERRUAUXHBOYJC-ZROIWOOFSA-N 459.344 2.742 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771979 NMRWKIWZXRCBIR-LSDHHAIUSA-N 484.578 2.769 50 10 JFGE C#Cc1cc(B(O)O)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887519185 QWIXTUIETGABGN-UHFFFAOYSA-N 480.373 2.723 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](F)(CBr)C1 2046022356 JNJCCDZRZLDRSV-ZWKOTPCHSA-N 479.343 2.540 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058369307 YNIGWTMGBGVHBN-HAELCTKSSA-N 473.364 2.588 50 10 JFGE CC(C)(C)[C@]1(O[Si](C)(C)C)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]2OC(=O)[C@H](O[Si](C)(C)C)[C@@]231 2060394439 JOLOPTLRBSAWFO-GLNZGTGGSA-N 470.667 2.975 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2083633282 NGVOPHSQEFKQFQ-HRCADAONSA-N 469.401 2.888 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@H](Br)[C@H]2COC[C@H]21 2158391435 DKVWKJHEFZVMCO-DVVUODLYSA-N 490.011 2.994 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162603034 SNOCDPIZDRKGIL-ZJIFWQFVSA-N 461.378 2.540 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572086 LMAYSUJIMGQXMT-UHFFFAOYSA-N 479.356 2.512 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)CCC(=O)OCCc1ccccc1 14010979 DBDIHUWEGTYUFI-UHFFFAOYSA-N 463.328 2.850 50 10 JFGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40618822 SSWKBBUBQJEFEH-UHFFFAOYSA-N 493.318 2.684 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(C(=O)OC)cc2)sc2c1CCCC2 254398615 MHRLDCHYDSDFCB-UHFFFAOYSA-N 457.508 2.679 50 10 JFGE BrCCOCCOCCOCCOCCOCCOCCOCc1ccccc1 725422544 IBKYGRWIIYJKTN-UHFFFAOYSA-N 479.408 2.698 50 10 JFGE O=C(Cn1nnc(-c2ccccc2)n1)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 912745424 FEIODIQRBYGMAT-XMHGGMMESA-N 499.918 2.842 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NNC(=O)c2cc(Br)c[nH]2)c(-c2ccccc2)n1 914465178 FSYXOZPUEDPJEJ-DHDCSXOGSA-N 478.310 2.923 50 10 JFGE C=CCn1c(S)nc2cc(C(=O)NNc3ncccc3C(=O)OC(C)(C)C)ccc2c1=O 1306885688 VTQRPBJGJYMMNN-UHFFFAOYSA-N 453.524 2.978 50 10 JFGE Cc1ccc(CCCC(=O)NNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1865761507 UTMHKGQNAHKLKT-UHFFFAOYSA-N 466.494 2.758 50 10 JFGE CN(CCCCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542491 KKCRRLZPQRHYEP-SFHVURJKSA-N 463.369 2.838 50 10 JFGE CN(C1CCC(Br)CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022696 MDEIUNSNPMFLND-SVGDTCPJSA-N 475.380 2.979 50 10 JFGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 2059028621 PNACLVHDBJSGAW-JLPGSUDCSA-N 485.591 2.935 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2106787879 LFBRUPRUMZMBJT-XHSDSOJGSA-N 451.427 2.516 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 2164500562 GSJRQUDAJVKNKG-WFXMLNOXSA-N 495.370 2.991 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C[C@H]1O 2172854101 OBQIDAKEPGNWSF-NUEKZKHPSA-N 463.394 2.524 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cc(Cl)ccc2B(O)O)C1 2284061830 ZUMZGVKWXHEXSR-XMMPIXPASA-N 488.777 2.802 50 10 JFGE COC[C@@](C)(CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338836341 KULXCPYQLPZXGA-FQEVSTJZSA-N 489.432 2.810 50 10 JFGE Cn1ncc(C(=O)N2C[C@@H]3C[C@H](CBr)C[C@@H](C3)C2)c1I 2369306193 KTRHSHJEKAKMJZ-JGPRNRPPSA-N 452.134 2.908 50 10 JFGE CCOC(=O)[C@](NC(=O)NNS(=O)(=O)c1ccc(C)cc1)(c1ccc(F)cc1)C(F)(F)F 20609201 YYHVHZVMVJBIRD-GOSISDBHSA-N 477.436 2.648 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2026560326 JBSUHYWIIFAGJD-RTBURBONSA-N 455.374 2.547 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299614 ZUULLUGIIATABE-DZGCQCFKSA-N 454.431 2.764 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2306813790 XJPDXTWOSOOGHT-BBRMVZONSA-N 455.374 2.546 50 10 JFGE COc1ccc(C)cc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325369956 PIZXVRGPLCWPEC-UHFFFAOYSA-N 454.552 2.665 50 10 JFGE O=C(NNC(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1)c1ccccn1 35385222 RMUHZAZLIQAIMP-UHFFFAOYSA-N 467.526 2.701 50 10 JFGE C[C@H]1CCc2c(sc3nnn(CC(=O)N/N=C\c4ccc(Br)cc4)c(=O)c23)C1 102011307 FBAVDHCJNXHYSN-OYNCOLRUSA-N 460.357 2.891 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=C2CCCc3ccccc32)c1CSc1ccccc1 254700346 PMBFFLBMJZWKQO-UHFFFAOYSA-N 460.523 2.995 50 10 JFGE C[C@H]1C[C@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959074 WVAFWBWCWROAMW-KBPBESRZSA-N 457.390 2.744 50 10 JFGE C#CCOc1ccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 1440652626 RKPHGSQZWQIALE-UHFFFAOYSA-N 455.517 2.636 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)c1cccc(Br)c1 1448200856 MRIHMHIHJRQROR-LJQANCHMSA-N 455.312 2.944 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@H](C(F)(F)F)C1 1904643081 RHYQBJHNPQORFN-NSHDSACASA-N 452.255 2.922 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2106775208 VKKLMWJQZVMXFL-UKRRQHHQSA-N 454.431 2.668 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178088663 YVTCPVNCIIYAKM-DYEKYZERSA-N 450.114 2.702 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCCCCI)C1 2220214838 KKNCJDCHTRAOII-OAHLLOKOSA-N 467.392 2.945 50 10 JFGE Cc1csc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248898446 BOGMEAOUVFFIBY-UHFFFAOYSA-N 478.379 2.671 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1ccc(Br)cc1I 2303598158 YPIYCMQTIFPCNA-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2308992191 CHDMAXBYFODBHX-LYMQGIMYSA-N 473.364 2.588 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 2313892701 ABKQNTIOWGMVFA-GOSISDBHSA-N 462.531 2.517 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCCOCCCI 2316697618 NOBMJVAGLVSJIG-UHFFFAOYSA-N 494.953 2.517 50 10 JFGE OB(O)c1cc(Br)cnc1Oc1cc(Br)cc(Br)c1 2338857403 DFVNDVVFMPQJKG-UHFFFAOYSA-N 451.705 2.841 50 10 JFGE CCCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 12503567 DBDMRFJRUHBXNN-UHFFFAOYSA-N 467.183 2.721 50 10 JFGE COc1ccc(CC(=O)N/N=C(\C)CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1OC 103593710 KSSWXPBQWAWIDD-JVWAILMASA-N 465.510 2.803 50 10 JFGE CC[C@H](Br)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@H]1c1ccccc1 170485626 BJXDPAFVTUDOCP-XJKSGUPXSA-N 452.330 2.534 50 10 JFGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)c1 254572834 VMAUGSMGMKQSHN-UHFFFAOYSA-N 457.508 2.848 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 709236760 FBJHZMMXKGCPMY-KBPBESRZSA-N 457.390 2.601 50 10 JFGE COC(=O)c1cc(S(=O)(=O)NNC(=O)CCOc2ccccc2)c(Br)cc1Cl 728263228 VJZCWAVTCJXQPF-UHFFFAOYSA-N 491.747 2.668 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(-c2cccnc2)n1N 1084424341 FIYKVFBWDMXQAZ-UHFFFAOYSA-N 490.387 2.848 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)cc1 1858626874 IKIKBYXMKFCFAB-UHFFFAOYSA-N 459.553 2.757 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cccc1[N+](=O)[O-] 1860771160 LTAAMHBOUZVCHH-YPMHNXCESA-N 469.523 2.822 50 10 JFGE CCc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851877 JCOPFOOUQXKMHJ-UHFFFAOYSA-N 468.579 2.906 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(S(=O)(=O)CI)CC1 1983327413 MEGOBXXMTSVZGE-ZDUSSCGKSA-N 458.362 2.820 50 10 JFGE N#CC(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)=C1NC(=O)c2ccccc2N1 2040482196 KJLLEQSRYIIPNU-UHFFFAOYSA-N 455.440 2.987 50 10 JFGE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106778734 GRIRHZPKQUOZMF-KGLIPLIRSA-N 454.431 2.716 50 10 JFGE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162591239 JDAGXGZTEIIFMM-BZUAXINKSA-N 463.394 2.931 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2217359145 XDIHBIPYASAYOQ-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC=C[C@@H]1CBr 2301117738 SXUUJRSAMYDZIY-OAHLLOKOSA-N 455.374 2.808 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 2325886162 BHHWZMUDTZXOEL-UONOGXRCSA-N 481.534 2.913 50 10 JFGE O=C(N1CCC[C@@H](C2CCN(CCOCCI)CC2)C1)C(F)(F)F 2326647018 LOFFWISSIYPFSN-CQSZACIVSA-N 462.294 2.951 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2C)cc1I 14649061 NWXGYRFPCGDCSY-UHFFFAOYSA-N 497.358 2.931 50 10 JFGE CCOC(=O)C1=c2s/c(=C/c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1C 32939097 DMQKSSCUZYZPBQ-OABJIQBASA-N 457.555 2.518 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2Cc3ccccc32)cc1 920853872 GVIDTMBZTASNST-DTBYZMGXSA-N 455.518 2.797 50 10 JFGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@H](Br)C1 1883527281 AYFUPSUXZQGTJZ-TXEJJXNPSA-N 450.374 2.694 50 10 JFGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1914636090 AFWQPMJAOGDZPE-HNNXBMFYSA-N 465.369 2.898 50 10 JFGE Cn1cc(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(CCl)n1 1984711583 ZSUXVTQBYHKIPD-UHFFFAOYSA-N 454.980 2.969 50 10 JFGE CN(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2106781824 LJVALFZPPYWUBJ-UHFFFAOYSA-N 454.431 2.669 50 10 JFGE CCOC[C@@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325066161 VHMFWQNJEDYRGZ-HXUWFJFHSA-N 497.680 2.867 50 10 JFGE COc1ccc(CCO[C@H]2CS(=O)(=O)C[C@@H]2I)c(Br)c1 2364694577 BLKNMDAYXSJOFP-STQMWFEESA-N 475.142 2.617 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 9826119 FNUGJUACOXHDEQ-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)cc1 10460466 MYJDRRNJVONWDK-UHFFFAOYSA-N 477.970 2.940 50 10 JFGE O=C(CN1C(=O)/C(=N\NC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21)Nc1ccccc1 15777363 LKGGWKWPNUXATE-OLFWJLLRSA-N 465.469 2.648 50 10 JFGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3)cc2)cc(OC)c1OC 34988638 NYKMTRTVWCMWJX-RWPZCVJISA-N 491.500 2.812 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-] 40658897 XHKLIKLKJPPNAI-UHFFFAOYSA-N 452.427 2.705 50 10 JFGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc(OC)c1OC 59498656 RXKGPNQRMPSNPH-FSJBWODESA-N 469.523 2.817 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1CN1CCC(Cc2ccccc2)CC1 254369033 PABNBWOOZFNCJF-UHFFFAOYSA-N 491.581 2.513 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 1084251044 UGAQKPPZOVZCAF-UHFFFAOYSA-N 451.932 2.830 50 10 JFGE COc1cc(CNC(=O)OC(C)(C)C)ccc1NS(=O)(=O)CI 1983330565 QXWONAGPWNHNCS-UHFFFAOYSA-N 456.302 2.854 50 10 JFGE C=CCC[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2019471935 DZHCTLHNGDEXTP-AWEZNQCLSA-N 457.390 2.958 50 10 JFGE CC(C)CN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106768567 SDQYYJLOMQJQGH-UHFFFAOYSA-N 454.431 2.668 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2124679383 SGGDFRHWODZJAZ-IBGZPJMESA-N 487.391 2.980 50 10 JFGE O=C(Cc1ccccc1I)N1CCN(CCCBr)CC1 2169926672 OKGGJSVCUOLAEY-UHFFFAOYSA-N 451.146 2.763 50 10 JFGE O=C(NOCCCNC(=O)c1ccc(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2255936468 YIRYMSUQEZETAI-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE C[C@@H]1[C@H](Br)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321279296 IRKOMDMGEKNSHN-HAELCTKSSA-N 475.380 2.834 50 10 JFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 13623357 KGNCJFFEEFYTHX-CYBMUJFWSA-N 465.362 2.678 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 33332626 MDXRLFMNHABAKF-LDADJPATSA-N 481.461 2.662 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 58986858 VCZZKMAKAAOECI-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\C)c1ccccc1O 59829640 CFEZGSNAUJSHFJ-HZHRSRAPSA-N 462.539 2.595 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)NCc1ccccc1 1084315570 CSPNYLGZPKPUHJ-UHFFFAOYSA-N 472.545 2.581 50 10 JFGE C#CCOc1ccc(F)cc1NC(=O)NNC(=O)c1nn(CCCC)c(=O)c2ccccc12 1465779277 CGFRTBDTVMUVHO-UHFFFAOYSA-N 451.458 2.814 50 10 JFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1857624702 LFDSJZUWJKJWAH-SWCUPNEESA-N 480.985 2.688 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771711 FKZOGJWHXDLUFV-AWEZNQCLSA-N 470.551 2.523 50 10 JFGE CC1(C[S@](C)(=O)=NCCOCCI)CN(C(=O)OC(C)(C)C)C1 1904642361 JVUIIKOUAPMNNH-QHCPKHFHSA-N 460.378 2.793 50 10 JFGE CC1CC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1999812800 OMELVNBEFMNQMO-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE COc1cc(C#N)c(NC(=S)C(C#N)=C(N)N2CCN(c3cccc(Cl)n3)CC2)cc1OC 2040744406 TVBBOTAGZSHEEG-UHFFFAOYSA-N 483.985 2.879 50 10 JFGE C[C@H](Br)[C@@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023021 OWDHXVKVIJSYCF-IYJAJMOOSA-N 475.380 2.979 50 10 JFGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2296846427 LFCXYVPBKGTXPY-UHFFFAOYSA-N 491.573 2.603 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C[C@@]1(CBr)CC1(F)F 2379980928 APIMBRGYHQLBBB-DLBZAZTESA-N 452.340 2.608 50 10 JFGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(I)c1O 9434524 RRLVTARXAFKZFG-UFWORHAWSA-N 485.234 2.751 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Br)o1 12570853 XPEYFUCZCPQWCW-UHFFFAOYSA-N 477.134 2.519 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13976710 LEJAMCXFNUOGEV-UHFFFAOYSA-N 493.929 2.701 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 13979208 GYNLCNWBVWBBHY-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 13997442 SLSJNBKSIRVOJJ-UHFFFAOYSA-N 470.551 2.616 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 13997446 JCNODLLFKQDKJC-SNVBAGLBSA-N 450.344 2.516 50 10 JFGE CC(C)N(CCOCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703966931 LWCFMDYXRKSUBX-UHFFFAOYSA-N 489.432 2.761 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccncc1 1084556658 PYFPOGCITIDBRJ-UHFFFAOYSA-N 476.360 2.545 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)C1 1872963040 YQXHCCXRWNATGI-CVEARBPZSA-N 475.471 2.835 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@@H](CCl)C1 2108231660 ROBNNZOTOZCTOZ-SJCJKPOMSA-N 452.882 2.537 50 10 JFGE C[C@H](CCCCCI)NS(=O)(=O)c1c(Br)cnn1C 2117882917 ROFZSEKVXMFYSC-SECBINFHSA-N 464.167 2.845 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2142940931 RJJFOJCIWZXXEP-ZCNNSNEGSA-N 487.391 2.886 50 10 JFGE BrCCOCCOCc1cn(-c2ccc(I)cc2)nn1 2189874137 ZGNYZTFYWREBBO-UHFFFAOYSA-N 452.090 2.800 50 10 JFGE Cc1sc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2257385223 ZVQDRYBSIDILAR-UHFFFAOYSA-N 492.406 2.980 50 10 JFGE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(CCOCCI)C1)C(F)(F)F 2306801993 LFCDDNFXUVSUBC-IUCAKERBSA-N 462.172 2.512 50 10 JFGE COc1cc([N+](=O)[O-])c(C=NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1O 2323652384 LDELZGIXPZDFRP-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)c(F)cc1Cl 2360921685 PVPICZPYVIMWJD-UHFFFAOYSA-N 451.539 2.781 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 13978708 ZXVITKGQLRBSQK-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE COc1ccccc1/C=C(\C#N)C(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41013313 WJRKGUUCTZSPBS-RSKMIKRQSA-N 473.485 2.982 50 10 JFGE COc1cccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1O 59464088 BAYBDFDLHGXLMF-ZMOGYAJESA-N 453.520 2.569 50 10 JFGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 727473310 KTAMWDCDDQABNF-AWEZNQCLSA-N 493.358 2.753 50 10 JFGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c(C)c21 1772749822 SJXFKMVYLXAGBT-UHFFFAOYSA-N 479.449 2.943 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867084312 AVRPYXLRJKVSIK-HXUWFJFHSA-N 499.593 2.898 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CCl)C[C@@H]1C(F)(F)F 1877501330 RVWAWHKZIRPAOR-YOEHRIQHSA-N 452.882 2.790 50 10 JFGE COC(=O)Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1C 1887520982 JAOQUFKIZCYUCA-UHFFFAOYSA-N 459.307 2.776 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CCBr 2004850555 SAOSAVGRPPERTM-CABCVRRESA-N 457.390 2.746 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C12CCC2 2046028665 KFXRVEHVVWXBNW-QAPCUYQASA-N 473.364 2.733 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1CN(C1CC1)S(=O)(=O)N1CCC(Br)CC1 2163051265 RLXYBJSKPLKEGF-INIZCTEOSA-N 466.442 2.954 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185505870 JVLXHLINGCRZRI-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](CSc2cc(I)ccc2Br)O1 2338340413 ZRJDBCHCXSTKPP-SCZZXKLOSA-N 457.131 2.683 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14660571 GUIOGPPCGYTCNM-UHFFFAOYSA-N 472.350 2.733 50 10 JFGE C#CCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2cc(Br)ccc21 100110646 OSYANFXZFSSMTO-NMWGTECJSA-N 471.267 2.545 50 10 JFGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 217211308 WZRLRDOKZKUMIQ-GAJRUTHPSA-N 468.579 2.876 50 10 JFGE C[C@@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 228936184 XOIWPHPLMWWTBA-KNWBJPGPSA-N 459.462 2.655 50 10 JFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254735356 YGYATIIXRJJIJV-UHFFFAOYSA-N 464.511 2.606 50 10 JFGE O=C(CNc1ccccc1)NNC(=O)c1cccn1-c1cccc(I)c1 729513912 ZTAPLHFCWIINAO-UHFFFAOYSA-N 460.275 2.955 50 10 JFGE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)C1 912619396 HBLXRKLAGLBBQS-YFDBIYGWSA-N 485.581 2.924 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(C)C[C@H]3Br)CC2)cc1 1131375202 IYZNCMRZRRQDKX-IEBWSBKVSA-N 457.390 2.580 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(F)c3F)CC2)c1 1632214856 JZWGEAQLZISDSU-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](Br)C1CCC1 1942098355 NJUFITIRPZACRP-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC[C@H]1CCCC[C@@H]1Br 2009451136 JVWZSTHYGVWOBF-PBHICJAKSA-N 457.390 2.936 50 10 JFGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046023868 WCAZKQSRZOFYFY-PJIJBLCYSA-N 475.380 2.836 50 10 JFGE O=S(=O)(C[C@H](Cl)c1cc(I)ccc1Br)N1CCOCC1 2145633387 UHJGZOSCOVWSNL-LBPRGKRZSA-N 494.576 2.996 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179820342 XCYQECPBTFHWJY-HSALFYBXSA-N 456.450 2.792 50 10 JFGE O=S(=O)(CC1(CBr)CC1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2290036432 CDBTWMGCMFIHMW-HXUWFJFHSA-N 457.434 2.858 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2310811882 QRWBOTPBBURZLR-IUVQAAGXSA-N 473.364 2.588 50 10 JFGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2321461884 LWSDAYYRVVYVSY-ACWOFJMJSA-N 475.380 2.834 50 10 JFGE COC[C@](C)(CCBr)NC(=O)c1c(Br)c(Br)nn1C 2338682686 UEYRIRJLKPAJPK-NSHDSACASA-N 461.980 2.865 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccc(Br)cc2)nnc1-c1ccncc1 58989603 JENQBJKLAKHAOF-WSDLNYQXSA-N 460.361 2.839 50 10 JFGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102668011 QTGLIOANOQZSKG-GORPUYKGSA-N 464.528 2.538 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 103726277 ZQCTYQYKOGFTGX-KEBDBYFISA-N 453.371 2.978 50 10 JFGE COc1cc(C(=O)N[C@H](C(=O)NN=Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1OC 254301771 GEWZKBOUYHOETR-NRFANRHFSA-N 456.543 2.683 50 10 JFGE C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 703964299 JDLHDWVFUFBXEH-CYBMUJFWSA-N 457.390 2.792 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@@H](Br)C1 703991778 VIPPCPQIEQAIOE-UONOGXRCSA-N 457.390 2.792 50 10 JFGE CCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 727365567 IHEGAWOMOBATHO-UHFFFAOYSA-N 468.554 2.819 50 10 JFGE COc1ccc(Br)c(C(=O)NNS(=O)(=O)c2cc(Br)ccc2OC)c1 728508207 KNHRRPXJGWJBAH-UHFFFAOYSA-N 494.161 2.852 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CSc2nnc(C)n2-c2ccccc2OC)c1 1633769262 PJMLNVHBEYPTCU-UHFFFAOYSA-N 452.565 2.676 50 10 JFGE CN(C[C@@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098096 LLXVWXIJYIKBIY-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](Br)C1CCC1 1942098358 NJUFITIRPZACRP-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@@H]21 2001967183 OCTSQUJMIPULKU-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@](F)(CBr)C1 2039797831 ZVCFMHJPOJPDSB-LJQANCHMSA-N 475.380 2.982 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CCBr 2046026760 UXMUGAUCMKTDAX-SCLBCKFNSA-N 493.420 2.543 50 10 JFGE C[P@@]1(=O)C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H](Br)C1 2057708047 LJQJYZUENAGBMR-MPEQGZPJSA-N 491.344 2.511 50 10 JFGE CN1C[C@H](Br)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2090337086 OGOZHFSPICZNDF-VHSXEESVSA-N 477.016 2.567 50 10 JFGE O=S(=O)(Nc1ncc(I)cn1)c1ccc(CBr)cc1 2133331819 NPIQJZPTUIJOMA-UHFFFAOYSA-N 454.087 2.777 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC2(C1)OCCC[C@@H]2Br 2159661865 OVBSMBKSPBTDRQ-LBPRGKRZSA-N 452.086 2.765 50 10 JFGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179832140 HARJQPLNPIAKSJ-AQNXPRMDSA-N 457.434 2.857 50 10 JFGE O=C(NN=Cc1cccc([N+](=O)[O-])c1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295464496 SNOZQNMHMSANEV-UHFFFAOYSA-N 474.429 2.950 50 10 JFGE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(CCOCCI)C1)C(F)(F)F 2306801991 LFCDDNFXUVSUBC-BDAKNGLRSA-N 462.172 2.512 50 10 JFGE COC1=C/C(=C\NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)C=CC1=O 13126195 DSDOXPBYMVGLNK-LGMDPLHJSA-N 470.551 2.828 50 10 JFGE COc1cc(C(C)=NNC(=O)CCCC(=O)NN=C(C)c2ccc(O)c(OC)c2)ccc1O 254872373 XFDHRSRAFWYHCF-UHFFFAOYSA-N 456.499 2.666 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccc(O)c1 254876713 FCFIZJRUYJTSLX-UHFFFAOYSA-N 464.511 2.693 50 10 JFGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CNC(=O)c1cccs1 725901981 DIDJYOUCQYMDOP-OAHLLOKOSA-N 485.393 2.777 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NS(=O)(=O)N2CCc3ccccc3C2)c(-c2ccccc2)n1 729899916 FGUSWUUHUHKSGF-PXLXIMEGSA-N 486.557 2.790 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)COc2ccccc2CC)nnc1-c1ccco1 1457467888 ZKNBRGZBGVXDPP-UHFFFAOYSA-N 455.540 2.995 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(C(C)(C)C)cc4)c(=O)c23)C1 1860770736 VFOFCHPZTBAYQM-CQSZACIVSA-N 488.635 2.890 50 10 JFGE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(S(=O)(=O)CI)CC1 1983328520 YIPCRTLLHJANGA-UHFFFAOYSA-N 460.378 2.972 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@@H]21 2199762683 OVSKPVHJHSGGLF-ZYSHUDEJSA-N 454.976 2.501 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)N(C)C(=O)C(C#N)=C1C 2297100570 JKOGXZRSIOKEAK-UHFFFAOYSA-N 452.492 2.630 50 10 JFGE Cc1nc(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)c(Br)n1C 2320660985 AFLAAWAQIXFJHD-CQSZACIVSA-N 450.786 2.984 50 10 JFGE COc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1Br 31829598 RHUSVWROEFIKQR-LAIOCUFKSA-N 490.383 2.899 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 105315030 YTWGRMXMTCZWNZ-UHFFFAOYSA-N 455.312 2.646 50 10 JFGE CC(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252625478 QKVAZBXLJFAAGU-UHFFFAOYSA-N 458.387 2.783 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OC(C)(C)C1 703967722 SCIKLMBGHCWLFR-AWEZNQCLSA-N 487.416 2.513 50 10 JFGE CC(=O)N(c1ccc(F)cc1)c1nc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cs1 917531644 FCABTRKCVBIFCU-UHFFFAOYSA-N 464.486 2.771 50 10 JFGE O=C(CN1CCOCC1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1083988846 NLURTMRIUWJEFW-UHFFFAOYSA-N 454.530 2.975 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084028716 WBVUKDKADNPBJV-UHFFFAOYSA-N 474.517 2.522 50 10 JFGE CC(C)(C)C(=O)Nc1nnc(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)s1 1084261901 VJWGFBCHSFBPAM-UHFFFAOYSA-N 468.333 2.707 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)C1 1860771281 OYWCAOAWBJTGFK-KSOFABFVSA-N 487.563 2.974 50 10 JFGE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OCC 1872962192 QXXPSURIOCELPN-RTBURBONSA-N 495.580 2.614 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)CC(F)F 1942090721 YUZXVWHZVWSUKO-GFCCVEGCSA-N 467.332 2.791 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2048006277 SVLOODURVWYFMY-BVPBIZIASA-N 469.401 2.792 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179814929 IRCWVYPNARQTIY-UXHICEINSA-N 456.450 2.936 50 10 JFGE C[C@H](Br)C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2242035366 USNCKDDQSQVNPC-LBPRGKRZSA-N 450.374 2.742 50 10 JFGE O=S(=O)(Nc1ccc(I)cc1Br)N1CC(Cl)C1 2246809229 QMTTVCDCBPCFJB-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2268645820 GQHXERHICTUADN-NPMXOYFQSA-N 491.328 2.792 50 10 JFGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 2314619730 DIOXYTROZIUCOR-UHFFFAOYSA-N 470.522 2.902 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2324434033 FECFDPCYRKCZDK-UHFFFAOYSA-N 462.506 2.756 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@]2(CBr)CC2(F)F)C1 2379982479 ZFGRBRZPYGIHMJ-DYVFJYSZSA-N 454.356 2.760 50 10 JFGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)cc1OCC 243825146 QWUBJHSJNUFLSF-UHFFFAOYSA-N 459.524 2.909 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 703965243 OIQJTBISYFRLHX-XJKSGUPXSA-N 457.390 2.744 50 10 JFGE C[C@H](Oc1ccc(C=NNC(=O)COc2ccccc2I)cc1)C(=O)O 1084014678 MZFHRBVEJMTWLX-LBPRGKRZSA-N 468.247 2.672 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc21 1084050509 YRWZAACRRLPNEI-UHFFFAOYSA-N 473.327 2.504 50 10 JFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C 1772760287 UCYRPLKFJLPHFN-CQSZACIVSA-N 469.567 2.924 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)C1 1860770437 HVFBEPAQTLEGFC-VXGBXAGGSA-N 480.999 2.807 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1860771912 LOSNKEBNDCOZEE-BBRMVZONSA-N 468.579 2.987 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866580735 XFPCGMJODSZENW-UZLBHIALSA-N 475.567 2.890 50 10 JFGE CN1CCN(c2ncc(I)cc2Br)C[C@H]1CBr 2015762628 NHTCVHDWWQOUAO-SECBINFHSA-N 474.966 2.964 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179867834 BCCHNVLSEIMBQK-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185505868 JVLXHLINGCRZRI-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1cc(I)ccc1Br 2303594742 LCXNVSDQFBNCCG-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE COC[C@H](Br)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316825599 UHYFCCQJSGGQHS-OAHLLOKOSA-N 475.405 2.562 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 2325904140 IZZRLMMWGKLNHO-ZDUSSCGKSA-N 470.551 2.759 50 10 JFGE O=C(CCC(=O)OCCc1ccccc1)NNC(=O)c1ccccc1I 14010794 UMJMVVCMBMUXBS-UHFFFAOYSA-N 466.275 2.618 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14020564 UGHRAINSFGSQAA-UHFFFAOYSA-N 469.304 2.639 50 10 JFGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 35144159 FSNAUZGQYJIZSS-LUAWRHEFSA-N 454.552 2.766 50 10 JFGE CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2c3c(cccc13)CC2 59464021 GHQGBMBYAZJJMJ-YDZHTSKRSA-N 452.492 2.763 50 10 JFGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 103610330 CBWNOSADRSBWPZ-XSFVSMFZSA-N 490.472 2.844 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 216957126 LWUMNZWWNQTWES-MNDPQUGUSA-N 458.971 2.679 50 10 JFGE Cc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1cccc(C(=O)O)c1)C(=O)N2Cc1ccccc1 254341415 LODQQSGZWVTGKD-UHFFFAOYSA-N 456.458 2.699 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254567802 YCTRAXLWRQMRNO-PQPXJSIUSA-N 495.630 2.551 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)Oc3cccc(C)c3C)c2)CC1 1660786466 IPSKKLSUYKTDIK-SFHVURJKSA-N 453.543 2.592 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1N(C)C 1860772205 VDWQVXPYOSPLAZ-AWEZNQCLSA-N 453.568 2.733 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CCBr)C1 2021786246 UMNFRXUFDPMYGY-OKILXGFUSA-N 457.390 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)NS(=O)(=O)N1CCC(Br)CC1 2106298162 KGAXBZIKDKODTD-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179866823 NAOYMLOUPROJTG-FUHWJXTLSA-N 453.406 2.837 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2193294722 GDXJVKBZFYTQNW-AJNGGQMLSA-N 470.405 2.559 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC(Cl)CC2)C1 2223824272 GOJOIMISRDUOHE-FQEVSTJZSA-N 487.066 2.646 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1C(F)(F)F 2282165366 CRXVYLSRCAWMBC-UHFFFAOYSA-N 480.292 2.942 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Br 9229851 HECAXDDPNMAYQH-RUDMXATFSA-N 493.339 2.780 50 10 JFGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572108 AXTBRWHULORILH-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14771012 ZRUHNHALPVAPFK-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1cc(Br)ccc1I 300918894 WUDFQDMNRPOKPW-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 1083984089 KLVQZMONELIWAN-UHFFFAOYSA-N 469.527 2.988 50 10 JFGE CC(=O)N1C[C@@H](CI)[C@H](c2cc(I)ccc2N)C1 1614642234 PJQUMNGOKONEBG-BXKDBHETSA-N 470.092 2.870 50 10 JFGE COC(=O)c1cc(NC(=O)c2oc3c(c2C)C(=NNC(N)=O)CC(C)(C)C3)cc(C(=O)OC)c1 1772729314 RHWAJHUOULCSTH-UHFFFAOYSA-N 470.482 2.758 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866582328 SFQIFXXNNDWSHX-PXNSSMCTSA-N 457.577 2.751 50 10 JFGE C[C@@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1997236392 IESDDMALMRXSQO-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2067020299 JQAHPFDNIQYBKR-BXWFABGCSA-N 473.364 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108396755 KVFWJLDVSBSLLQ-CXIBIASBSA-N 487.391 2.979 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CBr)CCC1CC2 2122356196 MSPLGRWAJPQJMC-JEFDNNSCSA-N 487.391 2.980 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@H]2COC[C@@H](C1)C2Br 2167775931 BDMDFRWQEFDFDE-USUYBEQLSA-N 454.077 2.912 50 10 JFGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C 2297334452 WVOGLDFEHZMYKC-UHFFFAOYSA-N 483.488 2.712 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2339936813 AULULESODNDXLP-AREMUKBSSA-N 484.361 2.568 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COC[C@H]2Br)cc1Br 323195065 SIXBIBMWCMADIF-NXEZZACHSA-N 478.000 2.961 50 10 JFGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1084483224 NBVFTKQBUYFEAU-UHFFFAOYSA-N 458.518 2.822 50 10 JFGE CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1 1680785774 TXJLDOHUGHPXLQ-INIZCTEOSA-N 454.556 2.598 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@H]1CN(C1CC1)S(=O)(=O)CI 1983327959 RUKMVOSVFRAPLQ-ZDUSSCGKSA-N 458.362 2.963 50 10 JFGE CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNS(=O)(=O)CI 2007719939 JIOBRGFPDHNHDS-CQSZACIVSA-N 466.341 2.833 50 10 JFGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2020201340 KSZDZIZCCJIMLD-OKILXGFUSA-N 457.390 2.744 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2044854469 SBOHMHFIUZKALP-RISCZKNCSA-N 483.306 2.508 50 10 JFGE O=S(=O)(NC[C@]1(O)CCCN(Cc2ccccc2)C1)c1ccc(CBr)cc1 2157523896 VFHMQTMEMYPQBC-HXUWFJFHSA-N 453.402 2.887 50 10 JFGE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162602820 RAHLQBLEJLJPBI-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE O=C(N[C@H](CBr)C[C@@H]1CCOC1)c1cc(I)ccc1O 2195479471 QLSZWUQGYGSNKR-ONGXEEELSA-N 454.102 2.917 50 10 JFGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257372910 JVNKFHJWAZOWQW-KRWDZBQOSA-N 472.350 2.861 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313862325 QVYLLTCWWUPBSY-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2358983111 WQBJEZRMFRRLMA-BVUBDWEXSA-N 466.442 2.762 50 10 JFGE CC(C)NC[C@H](CCl)OC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O 4277185 GJCMSYQSRCJSCE-UFYCRDLUSA-N 491.924 2.671 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1I 12492155 BNLJSDSSGSZJKK-UHFFFAOYSA-N 475.626 2.936 50 10 JFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccco1 12502790 UDHLRKGBIZRKQB-UHFFFAOYSA-N 491.161 2.828 50 10 JFGE O=C(NNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-])c1ccc(Br)cc1 40657940 UYRPAIOCDIFTQQ-UHFFFAOYSA-N 455.232 2.638 50 10 JFGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)N1CCOCC1 254765487 YFOXPBJEWYZNRQ-UHFFFAOYSA-N 476.533 2.878 50 10 JFGE COC(=O)[C@H](Br)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 300171528 AAQDVGZRPMYSFJ-ZCFIWIBFSA-N 469.966 2.971 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CCBr)C1 703994336 RVWZOLNZEXCALJ-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 709236762 FBJHZMMXKGCPMY-UONOGXRCSA-N 457.390 2.601 50 10 JFGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)N2CCCCCC2)cc1 725398651 FGDWPVVZNYBBRI-UHFFFAOYSA-N 452.511 2.565 50 10 JFGE Cc1cc(OCc2ccc(C(=O)NNC(=O)NCCCN3CCCS3(=O)=O)cc2)ccc1Cl 726276936 RJSFCANHSVDCHX-UHFFFAOYSA-N 495.001 2.597 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(OC(F)F)c1)c1cccc(Br)c1 1520681957 VZQYCKORFHNXHC-HNNXBMFYSA-N 456.243 2.689 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NN(C)C3CC3)(c3ccccc3)CC2)c1 1570507304 BTWGADXNIAINBV-UHFFFAOYSA-N 455.580 2.737 50 10 JFGE C[C@]12CC[C@@](CBr)(C1)N(S(=O)(=O)C[C@](C)(F)CN1C(=O)c3ccccc3C1=O)C2 2134807034 SVVYLKOEPGKNMF-ZCNNSNEGSA-N 487.391 2.980 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179816193 IYFPEEVMAYYDGU-SJORKVTESA-N 453.406 2.756 50 10 JFGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 2313860649 HBSPUNKDNFJPIG-UHFFFAOYSA-N 450.476 2.862 50 10 JFGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623013 GIPZWKBYCXVWCS-DZGCQCFKSA-N 450.322 2.957 50 10 JFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041103 FWAIFUPLXNRQGJ-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE COc1ccc(CC(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 20248392 XJQZKTDCKCWEGN-JFLMPSFJSA-N 460.490 2.504 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254300680 IEKLYFOFECVSGJ-FWLRXGJTSA-N 487.468 2.800 50 10 JFGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)CC1 727743124 NAFBSHFYSSTLTC-PXLXIMEGSA-N 483.638 2.925 50 10 JFGE COc1cc(CCNC(=O)C(=O)NN=Cc2cccc(Cl)c2Cl)cc(OC)c1OC 1084367594 NYSGRNQFETXIQA-UHFFFAOYSA-N 454.310 2.828 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)C1 1860771401 VFOZRZCWSLCPBD-HUUCEWRRSA-N 466.563 2.954 50 10 JFGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915087763 AGPLQKMRZWQOCM-LLVKDONJSA-N 466.199 2.942 50 10 JFGE CCN(C(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 2297425635 UDWSAHJOJIXROL-GHTZIAJQSA-N 463.600 2.635 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCCl)O1 2364212761 AHTVMMJCRDHPLJ-IRXDYDNUSA-N 456.992 2.891 50 10 JFGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10295559 OZKNVVOLKUUGQI-CYBMUJFWSA-N 461.540 2.839 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccccc1C(=O)O 12584247 MLYKVBMGHBIEQE-UHFFFAOYSA-N 472.089 2.750 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39919007 UQIGKKZKCKSYAW-NDEPHWFRSA-N 481.556 2.638 50 10 JFGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\Nc2ccc(I)cc2)CC1 217201991 FEMCMESSGJBHSB-OWBHPGMISA-N 453.280 2.912 50 10 JFGE COC(=O)[C@H](Br)CNC(=O)c1cc(Br)ccc1I 234547054 GWPCPOIBOFMWKW-MRVPVSSYSA-N 490.917 2.720 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1)Nc1ccc(Cl)cc1 250645800 KQGPVYUGIDOYLQ-BEFAXECRSA-N 469.929 2.537 50 10 JFGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc(OC)c1OC 254385492 MFVXGPBIPWSZNE-UHFFFAOYSA-N 470.511 2.901 50 10 JFGE O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)NNC(=O)c1ccc(Cl)cc1 729283902 XNOXFJHFWCDHFY-UHFFFAOYSA-N 483.769 2.820 50 10 JFGE C=CCOc1ccc(C=NNC(=O)C[C@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1 916354637 HCTLEIQHQUOGHE-NRFANRHFSA-N 487.578 2.668 50 10 JFGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C(F)(F)F)c1 1135322842 MAMIHRBZMBTFEB-RAXLEYEMSA-N 455.458 2.820 50 10 JFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770475 JWEHYFZTXSCRRI-UHFFFAOYSA-N 498.586 2.760 50 10 JFGE CSCC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(SC#N)cc1 1866928753 GVUVJUWOFXDYSL-RHSMWYFYSA-N 455.627 2.651 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]1(CBr)C[C@@H]1C(F)(F)F 2072465038 XQTZIVNBIXUPIK-BBRMVZONSA-N 483.306 2.556 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508849 GSQSZBHATHTKII-RBUKOAKNSA-N 454.390 2.574 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(F)cc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2302867668 NRTUCARBWBCYMY-UHFFFAOYSA-N 460.270 2.515 50 10 JFGE CC(C)(CI)CN1C[C@H]2C[C@@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2306818531 LHGRUWZZMXZAHX-YJNKXOJESA-N 452.377 2.901 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(CCNS(=O)(=O)N3CCC(Br)CC3)CC[C@H]1C2 2363603472 ICFNTXVYEJJXFI-MAUKXSAKSA-N 466.442 2.860 50 10 JFGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(Cl)cc1 12501756 VAQCXYHFSPEWDF-UHFFFAOYSA-N 459.696 2.894 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc(OC)c1OC 12569917 PCMZJOJXPFFBSE-UHFFFAOYSA-N 482.356 2.733 50 10 JFGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccncc1 40658931 WAGRTALKWZSFLJ-UHFFFAOYSA-N 484.476 2.812 50 10 JFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812286 NOCKSGCZZHQKDV-ZXVVBBHZSA-N 456.518 2.650 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 41012053 IQXPFGWOEMOTSU-WOJGMQOQSA-N 451.435 2.897 50 10 JFGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(SC)cc3)nnn2-c2nonc2N)c1 254753162 UGMUDUBEJTWZAW-UHFFFAOYSA-N 464.511 2.784 50 10 JFGE CN1C(=C(C#N)C(=O)CCC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)N(C)c2ccccc21 726949277 XREHYDPZLBVRSF-UHFFFAOYSA-N 477.487 2.717 50 10 JFGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 1084290607 UFOWVYAMJRNVKA-UHFFFAOYSA-N 491.371 2.768 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2nnn(Cc3ccccc3F)c2C)cc1 1562792084 ZZJHARDJVHKYAY-HNNXBMFYSA-N 454.462 2.597 50 10 JFGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1564913565 OFVJQXJBJCIBPD-FQEVSTJZSA-N 458.584 2.849 50 10 JFGE COc1ccc(C2=NO[C@@H]3[C@H]2C(=NNC(=O)c2cc4cc(F)ccc4[nH]2)[C@H]2OC[C@H]3O2)cc1 1565517359 NFOVOJOJPSUICL-IOGOZDDNSA-N 450.426 2.576 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2000982059 ZGQZBXCZCWIDFU-CABCVRRESA-N 457.390 2.746 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018108152 PDLONFFAYYMWAX-QITLCBANSA-N 461.353 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCCBr 2046030022 VNQGPQRSLITAIX-KUHUBIRLSA-N 475.380 2.980 50 10 JFGE CC1(C)[C@@H](Br)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2076212421 CKOAYRSJCDZHLW-KXBFYZLASA-N 475.380 2.979 50 10 JFGE O=C1CN(C(=O)c2ccc(I)c(Br)c2)CCN1CCCl 2171075135 XFGZRAXZAODZQN-UHFFFAOYSA-N 471.520 2.577 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2234534052 IAFBJSSBZXJFRA-DZKIICNBSA-N 466.442 2.716 50 10 JFGE CN(C)[S@@](=O)(=NCCCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2248241677 PJEKNXWAICXFHM-DEOSSOPVSA-N 474.409 2.614 50 10 JFGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10129732 QEGQNVAVHMLGLD-AWEZNQCLSA-N 475.567 2.940 50 10 JFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 12503152 SSUUKZLPPZHBMP-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)c(Br)c1 13976908 USTJIWQNBNNMGC-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc(C#N)c(C#N)nc12 101107880 DNKNNEOUJGLZCO-QKVFXAPYSA-N 465.311 2.599 50 10 JFGE COC[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 136841549 RDAKRVKSAYKCGT-QMMMGPOBSA-N 465.989 2.900 50 10 JFGE O=C(O)COc1ccccc1C=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254490915 JSBKRUKTLYVVRZ-GGASWYGPSA-N 488.456 2.979 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254740315 PCQLHOUVUJEOFE-NVZCMZFPSA-N 481.603 2.874 50 10 JFGE C#CCN1C(=O)C(=NNC(=O)c2cc(Br)cn2C)c2cc(Br)ccc21 747047359 XPSYRNYENFIOOG-UHFFFAOYSA-N 464.117 2.664 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 1942097052 GAVQUXSHYUHJQA-KUHUBIRLSA-N 457.390 2.746 50 10 JFGE C[C@@H](Br)C(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539483 KXZHKIYLDOWGFX-KZULUSFZSA-N 463.369 2.740 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(C)CCC[C@@H]1Br 2011550554 AZJYXBYFNLOAMW-JCGIZDLHSA-N 461.353 2.636 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2046021542 CHDMAXBYFODBHX-LKTHJCGVSA-N 473.364 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2046459454 DTVRZYJNPZQKIC-YJBOKZPZSA-N 473.364 2.590 50 10 JFGE Cc1c(Br)cc(NCC(=O)NNC=C2C=C([N+](=O)[O-])C=CC2=O)cc1Br 2054650933 XKVSDSPQSYVMDG-UHFFFAOYSA-N 486.120 2.736 50 10 JFGE CN(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1Br 2146153038 KWHXCSZZQDOECT-WDEREUQCSA-N 491.043 2.910 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185515028 RVOXAYVFQUTGRI-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2269560809 AAPALOTWAMKGMZ-AREMUKBSSA-N 486.377 2.936 50 10 JFGE CC(C)(C)OC(=O)NCc1cccc(Cl)c1Nc1ncc(Br)cc1B(O)O 2284920776 VRJJXPGJBQCUDC-UHFFFAOYSA-N 456.533 2.946 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2317657949 HTZKYCLSCOKBOW-NSYGIPOTSA-N 472.350 2.861 50 10 JFGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2329697745 KQFHGJQIWIOADR-IBGZPJMESA-N 493.317 2.756 50 10 JFGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 40890094 DHUWJKOVTWGFNF-GHRIWEEISA-N 461.474 2.849 50 10 JFGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 217211330 SWYMGLOKUSSBEC-ZWSWSHGQSA-N 455.536 2.960 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2COC[C@@H]2Br)cc1Br 323195067 SIXBIBMWCMADIF-VHSXEESVSA-N 478.000 2.961 50 10 JFGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1O 1084074337 IOBDWQCJZHOCMI-UHFFFAOYSA-N 490.763 2.733 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866868581 VMJSUJPKDDCOPQ-OALUTQOASA-N 469.592 2.714 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1F 1873792490 HMWWIDBREJZYRW-UVHMKAGCSA-N 476.464 2.979 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 1944087057 HPPWKCXRMAJTES-INIZCTEOSA-N 457.390 2.888 50 10 JFGE C[C@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162591119 IBCIEMUWYXVFHT-LCGIIJARSA-N 466.442 2.857 50 10 JFGE CC(CBr)(CBr)NS(=O)(=O)Cc1ncsc1Br 2213762505 OUXUHTALQMZVBO-UHFFFAOYSA-N 471.034 2.874 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)CCC1(C)C 2231325432 PXGWASQNZSRSJQ-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE CN(CCCBr)S(=O)(=O)N(C)Cc1ccc(I)cc1 2265529093 HFSLYTLAGFNTJL-UHFFFAOYSA-N 461.163 2.685 50 10 JFGE COc1ccc2c(c1)c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 2328796755 GTZOUTWQMTYPJT-INIZCTEOSA-N 478.571 2.982 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 10040544 BILFDSRLQNBUBJ-MDWZMJQESA-N 470.551 2.548 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 12339702 YLGZHSGGWLRICW-WDYCEAGBSA-N 452.646 2.795 50 10 JFGE O=C(NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40622690 IBTYWIOMIDPKPV-UHFFFAOYSA-N 464.324 2.802 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815078 SEEBYPXZMFPTHS-XIEYBQDHSA-N 496.545 2.690 50 10 JFGE O=C(NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 263627199 LUAUFLLLVXEMTO-ZFTRAUTGSA-N 491.416 2.835 50 10 JFGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1cccc(C)c1 263630723 TXZAEXZXRVFPEG-UHFFFAOYSA-N 476.497 2.591 50 10 JFGE O=C(N[C@@H]1COC[C@H]1Br)c1cc(I)ccc1Br 323086669 WHOFHZPUCLJFHZ-NXEZZACHSA-N 474.918 2.946 50 10 JFGE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(CBr)cc1 711757404 QGBZJCAJLIWHGE-HXUWFJFHSA-N 453.402 2.839 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccc(F)cc4)c(=O)c23)cc1 1860770753 VYMIILNKIBOSNP-UHFFFAOYSA-N 450.495 2.963 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860772222 VJJILOOCECUFGL-STQMWFEESA-N 470.551 2.622 50 10 JFGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860773549 AHZBMHXDHFHWAD-WKIKZPBSSA-N 495.605 2.734 50 10 JFGE CCN(CCCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531525 BVJCWWBCVWBENR-SFHVURJKSA-N 463.369 2.838 50 10 JFGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023022 OWDHXVKVIJSYCF-URKNILKWSA-N 475.380 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2C[C@@H]1CBr 2278979823 LKXRPOVYKDLCEE-QGZVFWFLSA-N 477.380 2.824 50 10 JFGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccc(O)cc1O 1960403 BVYOTUXQUCIFHD-KEBDBYFISA-N 467.263 2.880 50 10 JFGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 14041939 UCYKJQHZMXWBHO-UHFFFAOYSA-N 456.568 2.598 50 10 JFGE COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 31829126 XATSTHQHIJONIV-ACDCKLGDSA-N 455.496 2.650 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1 58894333 YNQXBGBMPZAJPP-RASHHNMQSA-N 458.511 3.000 50 10 JFGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)Nc1ccc(F)cc1 103524644 JHQXYGIATOPEIN-BMQQBDIZSA-N 456.524 2.947 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc(CC(C)C)cc1 254491057 CVCFPCBGIMCWAT-INIZCTEOSA-N 479.589 2.959 50 10 JFGE CC(=NNC(=O)c1cc(Br)ccc1O)c1ccc(N2CCCS2(=O)=O)cc1 741808219 GRKQXNMOTCDMIW-UHFFFAOYSA-N 452.330 2.849 50 10 JFGE CC(C)NC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 745145264 AMXBSNFSXZTGFR-UHFFFAOYSA-N 450.948 2.834 50 10 JFGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1084428788 MXWKDYYWIBWXOU-UHFFFAOYSA-N 478.480 2.618 50 10 JFGE O=C(NN=Cc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084442599 HNBKWHGJDOCDGN-UHFFFAOYSA-N 494.367 2.729 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 1477019874 OGQKCIBYQPSGAE-CQSZACIVSA-N 454.483 2.867 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(OCC(F)(F)F)cc2)c1 1623413344 RRSNUXFAWHOSAR-UHFFFAOYSA-N 459.446 2.642 50 10 JFGE C=CCCSCCNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1683691527 BUBONRBQOOCIIX-UHFFFAOYSA-N 454.599 2.802 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)c1ccccc1O 1772718848 RKBTYJIELBTCRY-IWNQXXOGSA-N 453.476 2.659 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852283 RJAHQTMRWOXVFH-BRADTZPFSA-N 452.536 2.767 50 10 JFGE COc1c(I)nc[nH]c1=NCCSSCCNC(=O)OC(C)(C)C 2010829250 SVNDXSSKLMEFCV-UHFFFAOYSA-N 486.401 2.830 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@]2(C)C1 2172923696 XOWNNYDFQALEJC-DHSIGJKJSA-N 466.442 2.716 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234559525 PTBDHQNJEWLBBN-LKFCYVNXSA-N 454.077 2.914 50 10 JFGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2248892262 HFBHWKBJJPRYEG-OAHLLOKOSA-N 478.379 2.922 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 2296562417 PCQLHOUVUJEOFE-RTWAWAEBSA-N 481.603 2.874 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629865 IDOQRXKFFBTUBF-NEPJUHHUSA-N 484.734 2.659 50 10 JFGE O=C(N/N=C\c1c(Cl)cccc1Cl)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891910 KYMYZNCWUGEENQ-FGJCKKKHSA-N 450.307 2.749 50 10 JFGE O=S1(=O)CCC(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)CC1 1915169085 DJIPYZGVDQCJJO-QGZVFWFLSA-N 450.420 2.569 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2022842842 KFTVLLWDVIWWAM-FQEVSTJZSA-N 479.665 2.771 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CCl)C(F)(F)C1 2108234569 PSYBEDYBQJQRBQ-SJCJKPOMSA-N 452.882 2.537 50 10 JFGE O=S(=O)([C@H](CBr)C1CC1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179826354 RAUCYANOKVFPFX-WOJBJXKFSA-N 457.434 2.857 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185291398 ASXLKOMEKKHPDE-XHVZSJERSA-N 452.086 2.764 50 10 JFGE COc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2257378121 FTXCBEFKACLCOM-UHFFFAOYSA-N 474.322 2.632 50 10 JFGE CN(C)[S@@](=O)(=NCC1(CBr)CC(F)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2280358298 AJBMIEAHRGUMPC-IPBPRUJGSA-N 471.437 2.912 50 10 JFGE CCOc1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1OC 2323172434 CHZZIIDSSMEUET-KRWDZBQOSA-N 455.496 2.674 50 10 JFGE CCOc1cc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc([N+](=O)[O-])c1O 2323647935 GVRBWAZODXHJCU-UHFFFAOYSA-N 450.451 2.981 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254341555 DXJGDRIFDACFNP-UHFFFAOYSA-N 498.517 2.963 50 10 JFGE CCSc1nc(O)c2[n+](n1)[C@@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 261365085 PWUYVBCNSMRANW-NRFANRHFSA-O 482.498 2.996 50 10 JFGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(C)C[C@@H](C)O)ccc1Cl 1141853131 DFTPSWZDSHHEDL-CQSZACIVSA-N 455.939 2.818 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(OC)c1 1860769945 MQWHUPKHNCJTBC-UHFFFAOYSA-N 478.530 2.532 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771449 WZXBWRSLRRISHQ-DHZHZOJOSA-N 475.486 2.894 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771780 HMVIJGANZYSHNC-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE CC[C@H](CCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539538 LKJMOGSRZKDGGU-ACJLOTCBSA-N 463.369 2.884 50 10 JFGE O=S(=O)(Nc1cccc(F)c1I)N1CCC(Br)CC1 2105890667 GQGDBIGUNNNLRR-UHFFFAOYSA-N 463.110 2.946 50 10 JFGE CC(C)(C)OC(=O)NC1CCC(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106297496 YEWPMHPXZVPFLH-UHFFFAOYSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162603033 SNOCDPIZDRKGIL-XUWVNRHRSA-N 461.378 2.540 50 10 JFGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2163659082 ARRGQWQHKFWHMD-HHHXNRCGSA-N 467.430 2.921 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCS(C)(=O)=O)CC1 2246095134 CWBJOWUMEZMTFB-UHFFFAOYSA-N 461.362 2.642 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccco2)c(Br)c1 2313619146 DVNXUQXYJHKWLJ-UHFFFAOYSA-N 452.330 2.719 50 10 JFGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2338832893 GVEOJHOEJKLBIQ-SJORKVTESA-N 487.416 2.703 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2CCC[C@H]21 2341947476 HGUYUBMCYDKOOX-CABCVRRESA-N 452.415 2.564 50 10 JFGE Cc1nc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)n1C 2362477466 BFXXKKVMMBMYDG-UHFFFAOYSA-N 472.018 2.926 50 10 JFGE O=C(CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 254346137 CNUKJZSGCWHIOH-UHFFFAOYSA-N 463.475 2.701 50 10 JFGE O=C(N[C@H]1COC[C@H]1Br)c1cc(I)ccc1Br 323086672 WHOFHZPUCLJFHZ-ZJUUUORDSA-N 474.918 2.946 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@H](N)C(=O)O)/C(=C\C(=O)O)C1 575626961 BHQAMABUPJQDIU-SBMCABNZSA-N 489.015 2.823 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCC3CCCCC3)CC2)c1 727348255 VOYSWZRJEIFLMI-UHFFFAOYSA-N 463.600 2.798 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 730935982 HBIOIZMARBADGG-HRVJUDJTSA-N 462.554 2.846 50 10 JFGE C=C[C@@](C)(O)C(=O)NNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1650640205 UIDHFKUFSQYGEN-XMMPIXPASA-N 451.479 2.626 50 10 JFGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c21 1772749797 RWZFCSGKSPSBTP-UHFFFAOYSA-N 479.449 2.943 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1C 1860770594 OWBFCFKSADIUSX-DOMZBBRYSA-N 474.608 2.770 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)C1 1865851565 DWTFQLWMWVJFHA-UONOGXRCSA-N 491.614 2.596 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)CC12CC2 2003752338 CWHWYWRLNDUVSL-CQSZACIVSA-N 455.374 2.785 50 10 JFGE C=CC[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023598274 BFTJTGBLFHLPDT-ACJLOTCBSA-N 461.353 2.517 50 10 JFGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022360 JODJVNRHYMAENK-LPMFXHHGSA-N 475.380 2.836 50 10 JFGE CN(Cc1nccn1Cc1ccccc1)S(=O)(=O)c1cnn(CCCBr)c1 2179791207 OABVUSRYUMGSJO-UHFFFAOYSA-N 452.378 2.734 50 10 JFGE CO[C@@H]1C[C@H](Br)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338684291 MFCDCYKOZYNYGT-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2364210721 GEAGKUJCGFFVOJ-LZQZEXGQSA-N 499.427 2.515 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc(OC)c1OC 12569924 XNFBBXOXUKZKSG-UHFFFAOYSA-N 453.520 2.744 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1OCCOc1ccccc1 13629800 TYXPUGPSMOPNKK-SFHVURJKSA-N 463.490 2.547 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13986960 OHGXDSAQOSQTFR-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(O)c1 254394175 GFXOFEFXGGQXOM-UHFFFAOYSA-N 475.513 2.524 50 10 JFGE O=C(NN=Cc1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 254400286 ZGMKXUOYYABKSJ-UHFFFAOYSA-N 462.428 2.795 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 703994728 WPCDAICQSSVMIJ-BBRMVZONSA-N 457.390 2.744 50 10 JFGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)n1 727942582 QXNUJKMFENPZNL-OAHLLOKOSA-N 462.539 2.859 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 730517478 XLMYAAZKOQWOFA-FQEVSTJZSA-N 457.596 2.987 50 10 JFGE CCOc1cc(C=NNC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)ccc1O 1084501357 ZFKJWZRPDWIARE-UHFFFAOYSA-N 455.511 2.811 50 10 JFGE CC(/C=C/c1ccccc1)=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084502000 RQRJEQUOBSPKLM-SHZWSBDOSA-N 482.482 2.773 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1449363578 SWZIAIWVDGQUOI-AZUAARDMSA-N 456.543 2.745 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867084549 HPUAOBXVCKMGGX-HXUWFJFHSA-N 499.593 2.898 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1Br 1942096785 CZCPQKSEBRDIEM-ZIAGYGMSSA-N 457.390 2.744 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC[C@@H]1CCCC[C@H]1Br 2009451138 JVWZSTHYGVWOBF-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2046418040 AHRQETSNFOUSJW-LSDHHAIUSA-N 471.417 2.992 50 10 JFGE O=S(=O)(NCCOCCCI)c1ccc(Br)cc1F 2104020267 HAGXAVGWIMTKLJ-UHFFFAOYSA-N 466.110 2.708 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@H](CBr)C(C)(C)C 2127127943 XPUAQTZIAFDLQG-AWEZNQCLSA-N 453.443 2.764 50 10 JFGE O=C(Cc1ccccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2146692617 KJCOJZUKWYJIQG-YUTCNCBUSA-N 450.114 2.987 50 10 JFGE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163049653 BHWLLFDHERGJKH-UHFFFAOYSA-N 463.394 2.622 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178087406 QTOZDXGINYLAAH-UISBYWKRSA-N 454.077 2.912 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@H]2COC[C@]2(CBr)C1 2234579191 IQUJXGPNONWWJA-XPTSAGLGSA-N 454.077 2.914 50 10 JFGE CCCOc1c(OC)cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc1[N+](=O)[O-] 2323098148 HDJDRBBWXLLZGI-UHFFFAOYSA-N 453.455 2.712 50 10 JFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1C#N 59246780 TXDGLHKSEBSRMQ-DHRITJCHSA-N 487.354 2.691 50 10 JFGE Cc1nc(S(=O)(=O)NCCCCCCI)c(Br)n1C 311545601 UXKGKNXYWZBGOB-UHFFFAOYSA-N 464.167 2.765 50 10 JFGE C#C[C@@H](CCC)NC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1470663508 OXXKKZODXWIBHM-KRWDZBQOSA-N 458.540 2.632 50 10 JFGE C#Cc1ccc(CNC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 1564787380 OVJBWZNTNHBYPL-UHFFFAOYSA-N 454.533 2.674 50 10 JFGE C=CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccncc1 1684649222 QODIDUTWMKJUPO-HXUWFJFHSA-N 457.556 2.518 50 10 JFGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[C@@H]1Br 2002521519 DRGQQFDQQBYIJB-VBQJREDUSA-N 457.390 2.934 50 10 JFGE CN([C@H](CBr)CC1CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2213913858 AHGIMVJFQIWONJ-HNNXBMFYSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@@H](Br)CCO1 2338852296 MVAKQHKOILOYSK-HOTGVXAUSA-N 487.416 2.705 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2339881239 MWYGWDRIIGTBNN-SANMLTNESA-N 484.361 2.568 50 10 JFGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14658858 SSKNCLDNFZAFRN-UHFFFAOYSA-N 452.261 2.985 50 10 JFGE C/C(CCc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 34688893 UIRZXPWIPJLTEM-QRVIBDJDSA-N 461.442 2.546 50 10 JFGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 102676033 KBYNFFPNANAEMI-KGENOOAVSA-N 475.530 2.563 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 103067452 UTCGUCFDDFCNOK-CPNJWEJPSA-N 466.519 2.939 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2nc3ccccc3n2C)cc1 750111604 CBRZKAPMZORXPQ-QGOAFFKASA-N 484.516 2.971 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc4ccccc4n3)CC2)cc1 1447177788 UJPMYXKMOWSBRW-UHFFFAOYSA-N 452.536 2.981 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770458 JAEZKAGEVFPDLT-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C(=O)OCc2ccccc2)c1C 1866097241 BFGCWBOAYWBREY-UHFFFAOYSA-N 467.308 2.522 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867060035 ANABQLVRSLDQTD-GOSISDBHSA-N 453.549 2.827 50 10 JFGE CC(C)(C)OC(=O)NCCOc1cccc(NS(=O)(=O)CI)c1 1983326498 AOGXKEYROJDMGA-UHFFFAOYSA-N 456.302 2.724 50 10 JFGE CC(C)(C)[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538547 HTUXIBHQTBSNMU-RDTXWAMCSA-N 463.369 2.740 50 10 JFGE CC[C@](C)(CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546306 ZLTMXEKPKBGASV-QZTJIDSGSA-N 463.369 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 2046025726 LNQYHSDZWJVUSM-BMIGLBTASA-N 489.285 2.646 50 10 JFGE O=S(=O)(N[C@H]1COC[C@H]1CBr)c1cc(Br)ccc1Br 2090323082 XRZDIEZUTSOHIQ-XCBNKYQSSA-N 478.000 2.900 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCS[C@H](CCBr)C1 2226106146 LHTYSXKOIJXTRP-MRVPVSSYSA-N 450.243 2.938 50 10 JFGE C[C@@]1(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC[C@@H]1Br 2249886225 RGKOQPXTFHFJDJ-LPHOPBHVSA-N 457.390 2.936 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)c(F)cc1Cl 2270437573 KCJLQIAPQYETMC-VIFPVBQESA-N 464.456 2.948 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@H](CCl)CO1 2364204581 FCSHFYNXEQTIKB-SJORKVTESA-N 456.992 2.796 50 10 JFGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2369421881 LOPZTIVTJNOCCF-SECBINFHSA-N 493.999 2.735 50 10 JFGE C=CCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1I 96581611 NXUCKXGRAPUDKQ-WTKPLQERSA-N 480.043 2.853 50 10 JFGE CCn1nc(C(=O)NNC(=O)[C@@H](C(C)C)n2cnc3cc(F)c(F)cc32)c2ccccc2c1=O 109495845 FFMWVPZDPQDRMX-HXUWFJFHSA-N 468.464 2.703 50 10 JFGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(C)(=O)=O)cc1 1084482684 UPOREBZIWSGPCQ-UHFFFAOYSA-N 454.346 2.764 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)CSc2ccccc2OC)(c2ccccc2)CC1 1636472623 QVOBYCZSNJWVJS-UHFFFAOYSA-N 453.564 2.681 50 10 JFGE CSCC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1867238264 YUDFULZGEXEOPQ-SFHVURJKSA-N 478.621 2.706 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 1878884099 QHMIXFZQVBWVCT-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE CC1(C[S@@](C)(=O)=NCCOCCI)CN(C(=O)OC(C)(C)C)C1 1904642360 JVUIIKOUAPMNNH-HSZRJFAPSA-N 460.378 2.793 50 10 JFGE CN([C@H](CCBr)C(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2008899420 LDHASJIQPYGPPK-CQSZACIVSA-N 467.332 2.743 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C2CCC1(CBr)CC2 2046026732 UROIHSWOBLZOOC-HRJVKACCSA-N 473.364 2.733 50 10 JFGE CC(C)(C)OC(=O)N[C@](C)(CNS(=O)(=O)N1CCC(Br)CC1)C1CCC1 2137695828 ODQWZAXSSXVRMW-QGZVFWFLSA-N 454.431 2.764 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2339882137 VNIKJRRHNXXCDO-VWLOTQADSA-N 484.361 2.963 50 10 JFGE CN(C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CC2)C(=O)OC(C)(C)C 2365922142 CEJCPIBWEPSDOZ-AWEZNQCLSA-N 466.442 2.669 50 10 JFGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978735 HXLAGFBZFUKMCZ-UHFFFAOYSA-N 499.774 2.775 50 10 JFGE C[C@H](Sc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)C(=O)NNC(=O)C1CCC1 59879249 KXLKJCNZSCGVQT-BERGCFNWSA-N 456.359 2.986 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1ccccc1OCC=C 100138204 JAEQMSJHSNYKOM-UHFFFAOYSA-N 494.548 2.599 50 10 JFGE CN1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 694742115 NEHLRYNFVVNUTO-IBGZPJMESA-N 452.418 2.676 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CCn2c(S)nnc2-c2ccc(OC)cc2)c1 1176933942 WESGZBQWCUBABR-UHFFFAOYSA-N 452.565 2.632 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1CCCC[C@H]1CCBr 1942932989 ZFAKKVVAIRDTPY-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE CC[C@H](C)[C@H](CI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1993397751 RPHZOPRQLFYABR-BBRMVZONSA-N 452.358 2.572 50 10 JFGE C[C@@H](CBr)CCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540423 FFYGQTWBVWADJT-FZKQIMNGSA-N 463.369 2.741 50 10 JFGE CN(C1(CBr)CC2(CCC2)C1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2000578378 IRNCLPIOHMSHTG-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@@H]1CBr 2007529038 MFPXSZYVZFTNDG-CQSZACIVSA-N 455.374 2.664 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2206181338 ZHFXKINEWRNURX-IIAWOOMASA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 2325452206 CYEGTIIWVOJEFC-UHFFFAOYSA-N 453.587 2.727 50 10 JFGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835158 DXYSAIOQAFOHFT-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1Br 14033958 NLZQLNJURVINGZ-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCCCCC1 15092846 LDMLSWFEQLFLKB-UHFFFAOYSA-N 484.578 2.826 50 10 JFGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCCCC1 34377861 ARTWHXRNPLCDLF-VZCXRCSSSA-N 468.561 2.941 50 10 JFGE CCOc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc([N+](=O)[O-])c1O 169920091 GVRBWAZODXHJCU-CFRMEGHHSA-N 450.451 2.981 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207219838 KKYRBUKBUVKDAU-RGEXLXHISA-N 466.490 2.844 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 254707913 NLCQAQBHDURTTL-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE CC1(C)CC[C@H](CBr)N(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703950817 VDOYXIFGRAHCQS-CQSZACIVSA-N 457.390 2.888 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NC3CCCCC3)cc2)cc1 1084469461 RIYBPAOPHBMUQN-UHFFFAOYSA-N 452.511 2.612 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)CC1 1144025437 DKQVVSZJSQEKSN-JJIBRWJFSA-N 457.578 2.593 50 10 JFGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748493 YSPNCKZPPUVQAR-UHFFFAOYSA-N 469.299 2.705 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C2(CCCCC2)C1 1983328422 XHCOMEDEVXREBK-UHFFFAOYSA-N 458.362 2.964 50 10 JFGE Cn1cc(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)c(CCl)n1 2179982075 PZPSLXVDAGJSGU-UHFFFAOYSA-N 458.943 2.578 50 10 JFGE Cc1cc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2260858575 WAWJRCUYYOSPAC-UHFFFAOYSA-N 472.350 2.608 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc2ccccc2oc1=O 2314792674 CMLOVLTZMMMNHP-UHFFFAOYSA-N 460.442 2.787 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2364190766 QJWYBTSAHDLFTN-ZWKOTPCHSA-N 499.427 2.847 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812813 RTOHLUZYXLCAAV-JJIBRWJFSA-N 488.386 2.713 50 10 JFGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)cc1 101604257 SFHYEPTWTZOXPR-NLRVBDNBSA-N 461.478 2.537 50 10 JFGE C#CCN1C(=O)C(=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254395286 NFCCWGNAZCBWMA-JHFHIRINSA-N 492.491 2.687 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1 254701223 NQLVBMBVGWJDSA-UHFFFAOYSA-N 460.479 2.887 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C 1645576395 AQVHVRNXRBGBKL-MRXNPFEDSA-N 454.568 2.526 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)C1 1860770435 HVFBEPAQTLEGFC-NWDGAFQWSA-N 480.999 2.807 50 10 JFGE CN(C[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1)C(=O)OC(C)(C)C 2163049802 CUNGFAAJLPKWNA-HNNXBMFYSA-N 463.394 2.838 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248397049 HXUYUYMAXROHQK-MRXNPFEDSA-N 478.379 2.622 50 10 JFGE CN(Cc1sccc1B(O)O)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248890317 AROKKWONTLYWMQ-UHFFFAOYSA-N 478.379 2.704 50 10 JFGE Cc1ccc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2278710640 WRDUFLRHDNTLIR-SANMLTNESA-N 486.377 2.854 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CCl)(C(F)F)CC1 2289936754 AHXYFYZUWGAUEY-GOSISDBHSA-N 466.909 2.927 50 10 JFGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296052873 JNHBHMUWCIAFGX-UHFFFAOYSA-N 469.508 2.867 50 10 JFGE CC1(C)CO[C@H](CCl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209305 RAGVONUXOJSELH-MRXNPFEDSA-N 456.992 2.891 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cccc(C)c1C 14662674 OWDIHOJNSKQZRF-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 207144437 VFMVYUSEEGBLDM-ATVHPVEESA-N 461.474 2.720 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NCc3ccccc3Cl)CC2)cc1 216769068 FSFYEWZHXZFWTQ-MNDPQUGUSA-N 458.971 2.679 50 10 JFGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 217250121 LRHMEPIDPKDKRV-HCYCVZQXSA-N 465.881 2.840 50 10 JFGE CCCc1c(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)nnn1-c1nonc1N 254510188 YGVWVTQREOINSA-UHFFFAOYSA-N 488.537 2.863 50 10 JFGE COc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(Br)cccc3[nH]2)cc1OC 726010655 HIETUUXEDOFTAR-UHFFFAOYSA-N 476.283 2.566 50 10 JFGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 747623088 IOEFTACKQPXFKS-OAQYLSRUSA-N 474.542 2.683 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770205 XXMYOBZKMNCMHI-SOFGYWHQSA-N 481.515 2.956 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1865851389 AMCYIYQSCLRQRD-UHFFFAOYSA-N 490.541 2.916 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CC2 2106295629 JLONXHYZFAKJSV-AWEZNQCLSA-N 452.415 2.612 50 10 JFGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106296668 UBUMMDGFGVRLNO-UHFFFAOYSA-N 492.411 2.821 50 10 JFGE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267601040 PEHROFSPLRAQOV-UHFFFAOYSA-N 485.481 2.960 50 10 JFGE CCOC(=O)CS[C@@]1(c2ccc(OC)cc2)OC(N=CN(C)C)=C(C#N)C1=C(C#N)C#N 2297672504 VAZOFADUSPQMPD-JOCHJYFZSA-N 451.508 2.843 50 10 JFGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2scc(B(O)O)c2C1)Cc1ccccc1 2314912587 OUNRCOAUUKCLHI-UHFFFAOYSA-N 458.389 2.530 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@H]1CCBr 2338853416 XHMFHMHRJIBDOO-MRXNPFEDSA-N 487.416 2.659 50 10 JFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(-c2ccccc2)cc1 13630125 HBHHSJZQYJAIOD-LJQANCHMSA-N 462.531 2.631 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 13985358 CMAIQNJNBAVBEJ-UHFFFAOYSA-N 453.318 2.586 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14643227 IJSDLRFWSXGWJJ-ZDUSSCGKSA-N 466.288 2.968 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccncc1 40649289 WKGRTUQUUOEAQW-UHFFFAOYSA-N 477.222 2.885 50 10 JFGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1NNC(=O)c1ccccc1Br 40784430 YXMSIEIHYJRPTL-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccncc1)CCC2 101604793 SDLBOEIZXPMXHK-YZSQISJMSA-N 461.478 2.537 50 10 JFGE CCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 254828250 JBFXGZKXDZVGDH-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084046410 IGCDEBSWSLHZST-UHFFFAOYSA-N 496.501 2.712 50 10 JFGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 1084626765 WYAWTRSHIBDPBI-UHFFFAOYSA-N 485.526 2.607 50 10 JFGE CC(=O)N(CC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccccc1 1292323016 YCQCNSYRJDFXSU-RUZDIDTESA-N 456.546 2.814 50 10 JFGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 1772746018 PIXHRFZZLDDHEC-UHFFFAOYSA-N 468.554 2.519 50 10 JFGE CC(C)(C)C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858954063 GJGMOPPXIYGPLT-UHFFFAOYSA-N 453.448 2.874 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942090037 SWUWUJRRDAKCRR-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)CC(F)(F)F 2117340787 VECJHRMLEHBFLC-LLVKDONJSA-N 468.336 2.526 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2133337826 SHSKGWSWTMBAPB-CABCVRRESA-N 454.431 2.906 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1CBr 2179814001 XLHWFWHGBPADQR-SJORKVTESA-N 453.406 2.756 50 10 JFGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1B(O)O 2266855088 AOMNODYNZDOWKK-UHFFFAOYSA-N 466.265 2.552 50 10 JFGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 40889867 ZJFVEIINAFIRIJ-RVDMUPIBSA-N 493.428 2.665 50 10 JFGE C[C@H](O)CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59165364 JOFOKWUUXYSKKV-YSRRJJCPSA-N 463.275 2.963 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1OC 252603588 FSEIWUAXYOLYBO-UHFFFAOYSA-N 460.339 2.927 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 1644012184 ZRLIIXIZXWVUOG-HNNXBMFYSA-N 457.353 2.801 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(C(C)(C)C)c1 1865852307 RXKIISITYOYKOD-UHFFFAOYSA-N 456.568 2.907 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCCC1 2046035858 SREHDCFFMGWONY-APWZRJJASA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1 2106778763 HCHYSMGFJHWLPJ-LSDHHAIUSA-N 452.415 2.564 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2106781208 FZNMEODQJMJSQP-CQSZACIVSA-N 452.415 2.612 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248892924 IZLWEEFXMIVXCC-UHFFFAOYSA-N 458.323 2.851 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256605505 LHCKPYCDTUZSNU-QFIPXVFZSA-N 493.756 2.917 50 10 JFGE CNC(=O)C(C#N)=Cc1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2296731349 PWTYVIMTKIRUNQ-UHFFFAOYSA-N 462.941 2.636 50 10 JFGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338833893 RSDYPBHGUJQCAM-QAPCUYQASA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H]2F 2358237169 GDXJVKBZFYTQNW-APIJFGDWSA-N 470.405 2.559 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OC)c2)c(OC)c1 35003857 YBSZDQVQSMZEOB-RGEXLXHISA-N 467.522 2.969 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 196779664 TWLMWUCVJNOKKT-PWIZWCRZSA-N 484.698 2.960 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749824 PQZXGZAZFYCSFY-UHFFFAOYSA-N 458.518 2.991 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(-n5cccc5)cc4)c(=O)c23)C1 1860769990 OUGZQNMIKZAZDN-HNNXBMFYSA-N 461.547 2.835 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2046023319 RGOUGIJSEVBXSM-NRXGSXMXSA-N 475.380 2.836 50 10 JFGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2058221102 QMKGRTXXYJZQJW-GUYCJALGSA-N 485.322 2.691 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)N1CCC(Br)CC1 2163050491 KGVBPMZWIIJUEO-CVEARBPZSA-N 466.442 2.954 50 10 JFGE Cc1cc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)sc1C(=O)O 2181750820 NGMXHKYQVLPZEO-UHFFFAOYSA-N 456.633 2.939 50 10 JFGE BrCCOCCOCc1cn(C[C@H]2CC2(Br)Br)nn1 2224800233 FSNQEPPIQSHEAF-SECBINFHSA-N 461.980 2.712 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2301662941 UPWZYDLHHQPAQF-QHCPKHFHSA-N 458.323 2.931 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@@H]12 2309229331 SVLOODURVWYFMY-RUGDWHBFSA-N 469.401 2.792 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC2(CC[C@H](CBr)O2)C1 2361879753 QBYUQXFUISQOGD-SNVBAGLBSA-N 452.086 2.765 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc(OC)c1OC 12569914 FEUKHZMWLMRSGB-UHFFFAOYSA-N 469.519 2.580 50 10 JFGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623904 HEANPAJRRQKQMQ-CQSZACIVSA-N 455.312 2.579 50 10 JFGE NC(=O)[C@@H](Br)Cc1cc(I)cc(I)c1 690364246 PGKTXVLAKQOSBY-QMMMGPOBSA-N 479.881 2.687 50 10 JFGE CCCNC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 1083973934 PXRHLQCFKQIVJU-UHFFFAOYSA-N 463.321 2.766 50 10 JFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(=O)O 1084309240 OVRIMFIXDNPXKO-UHFFFAOYSA-N 455.467 2.870 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CC(CBr)C1 2049628324 TVQSKFZWGLHXRV-UHFFFAOYSA-N 475.380 2.741 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178088057 VLWZKQZMDBSZEZ-WLTAIBSBSA-N 454.077 2.912 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2282806008 GCSNUAPVIBTXOZ-LKFCYVNXSA-N 454.077 2.914 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2309226385 VPBQBAWWMVOHHZ-ZCPGHIKRSA-N 469.401 2.648 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1OC 13977394 RBZTWRRMSFJXPR-ACCUITESSA-N 465.531 2.971 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 14038029 MKVCXSHYCQXSBC-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c1C 14649100 QCKCPDFITHAXGZ-UHFFFAOYSA-N 471.579 2.660 50 10 JFGE Nc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cnc2ccccc12 32605445 DTKODCWFAIDALY-UHFFFAOYSA-N 461.503 2.693 50 10 JFGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 33858399 VOWUAIBDLOYXKA-OVCORXIESA-N 492.557 2.622 50 10 JFGE CCOC(=O)CN1C(=O)C(=NNC(=O)CSc2nc3ccccc3s2)c2ccccc21 254607359 SZUZCBFPZWQSKX-UHFFFAOYSA-N 454.533 2.819 50 10 JFGE CC(=O)OC[C@H](OC(C)=O)C1=C[C@@H](C=NN(C(C)=O)c2ccccc2)NN1c1ccccc1 256015760 ZJRYJRBRPBMWNW-RDPSFJRHSA-N 450.495 2.797 50 10 JFGE CC(=O)Nc1cc(F)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1Cl 1318315696 QKUORWCZVZMXPS-UHFFFAOYSA-N 464.700 2.823 50 10 JFGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1C(C)C 1630996795 UHNFCKLYLBQJRY-UHFFFAOYSA-N 453.587 2.536 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2024779813 BKCQYAUXVAXTDI-SJWGOKEGSA-N 455.374 2.544 50 10 JFGE CN1C[C@@H](Br)[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 2029860905 NAGPWTDRKDFSCK-MWLCHTKSSA-N 487.961 2.861 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2179786005 UFNNHMPHRJZNHX-ROUUACIJSA-N 453.406 2.563 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185291396 ASXLKOMEKKHPDE-SUZMYJTESA-N 452.086 2.764 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2243678139 FMSLJCGYKQVWRR-CABCVRRESA-N 464.352 2.532 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCS(C)(=O)=O)C1 2246102907 MCUZANQZCIFMFG-HNNXBMFYSA-N 461.362 2.642 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2268649092 AMLIJVQCQBZTHX-HFJWLAOPSA-N 486.377 2.936 50 10 JFGE O=C(NN=Cc1ccc(O)c(O)c1O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297321764 KHUBWTYTOXSIPC-UHFFFAOYSA-N 462.418 2.633 50 10 JFGE C[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 2297380838 HRNNLTHQXVLSPB-CQSZACIVSA-N 453.973 2.558 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 2314795849 WRXJAMXBYFSKGQ-UHFFFAOYSA-N 451.435 2.897 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2351616202 WUJJVVXJAYQTPG-NRXGSXMXSA-N 487.391 2.884 50 10 JFGE CCn1nc(C(=O)NNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c2ccccc2c1=O 17189012 FDSFQHOBCXINPR-UHFFFAOYSA-N 468.876 2.778 50 10 JFGE O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C(Oc1ccccc1)Oc1ccccc1 33907438 VCQLBJGJZSPLKT-BUHFOSPRSA-N 486.278 2.997 50 10 JFGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 254816592 JBXNURJRRFHFIZ-UHFFFAOYSA-N 494.548 2.780 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H](Br)C1 703967567 QCDOTSWGSKETRI-ZIAGYGMSSA-N 457.390 2.934 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@@H](Br)C1 703991779 VIPPCPQIEQAIOE-ZIAGYGMSSA-N 457.390 2.792 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 832884012 MUNCNPQWYSHUIR-UHFFFAOYSA-N 487.534 2.542 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NNC(=O)c2cc(Br)c[nH]2)c(-c2ccccc2)n1 914465179 FSYXOZPUEDPJEJ-OQLLNIDSSA-N 478.310 2.923 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCc2ccc(F)cc2)cc1 920847565 HCKGBFNRHJKGIN-RGEXLXHISA-N 461.497 2.839 50 10 JFGE Nn1c(SCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 1083962318 NCKBJFYWPRKHBL-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772149 SNXBOTGNNBUORR-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE CC(C)[C@H](CI)NC(=O)c1cc(I)sn1 1909914597 JJSBSYXLVJTHKB-ZETCQYMHSA-N 450.083 2.937 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCC1 2000539587 BBKNBZSCJBWCAG-GOSISDBHSA-N 461.353 2.590 50 10 JFGE CCC[C@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545589 SWOOFPAVWVJPOU-ACJLOTCBSA-N 463.369 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC12CCC(CBr)(CC1)C2 2015406030 HSNRJLMMPSDWDC-UHFFFAOYSA-N 455.374 2.690 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 2029212289 HGEWZYCMYYCWRR-OAHLLOKOSA-N 469.401 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 2029233022 OENGPZMBZBZGQF-ARFHVFGLSA-N 469.401 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2090181612 HBCVBCVKFFJKSO-CYBMUJFWSA-N 493.370 2.991 50 10 JFGE CC(C)[C@@H](C)[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106296993 CYULFORXKOBWJS-UKRRQHHQSA-N 456.447 2.866 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185291397 ASXLKOMEKKHPDE-UFGOTCBOSA-N 452.086 2.764 50 10 JFGE CN1CCN(C(=O)c2cc(I)ccc2O)[C@@H](CCBr)C1 2202835333 SLUQZUYLILXMRF-NSHDSACASA-N 453.118 2.538 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@H]2COC[C@]2(CBr)C1 2234579179 IPVCFJUTXOGHOU-XPTSAGLGSA-N 454.077 2.914 50 10 JFGE Cc1cc(C=C(C#N)C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 2297487242 WBVQBUSLIMELKE-AREMUKBSSA-N 491.548 2.710 50 10 JFGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338833894 RSDYPBHGUJQCAM-YJBOKZPZSA-N 487.416 2.657 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cn1ccc2ccccc21 9696159 SQBQKOFVERODFK-UHFFFAOYSA-N 461.341 2.748 50 10 JFGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3ccccc3C)c3ccccc32)c1 254594148 ZGBSJNVNPFFQAG-UHFFFAOYSA-N 469.501 2.748 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2nc(C)cs2)cc1 727678286 QFMKEBUISQGAOB-HAKPAVFJSA-N 464.551 2.983 50 10 JFGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3c(C)cccc3C(C)C)cc2)CC1 1450405875 SWPRSJDIUCTRPD-UHFFFAOYSA-N 458.584 2.728 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)nnc1-c1ccccn1 1473001996 XKRNSSQUZBDEDE-UHFFFAOYSA-N 458.931 2.741 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccn2)CCC3)cc1 1772747700 SJMPBSPWAYEKBA-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Cc4c(F)cccc4F)c(=O)c23)C1 1860770897 BGUJFHIBWORGEU-RYUDHWBXSA-N 460.506 2.812 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1860771373 SWMVTZROMWKSRF-VXGBXAGGSA-N 485.522 2.522 50 10 JFGE CCCCCC[C@@H]1[C@H](CC(=O)[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454825 RVVQSAOUUWAZQS-LFHAGPKJSA-N 474.550 2.901 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179871394 ZVTWTPYXCOLWDV-IBGZPJMESA-N 453.406 2.981 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256605504 LHCKPYCDTUZSNU-JOCHJYFZSA-N 493.756 2.917 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cscc1B(O)O 2301723990 YRUZQIUBRJBSNS-CMJOXMDJSA-N 478.379 2.922 50 10 JFGE COc1ccccc1C=C(C#N)C(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314793641 WJRKGUUCTZSPBS-UHFFFAOYSA-N 473.485 2.982 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NCc3ccccc3Cl)CC2)cc1 2318467699 FSFYEWZHXZFWTQ-UHFFFAOYSA-N 458.971 2.679 50 10 JFGE O=S1(=O)C[C@@H](Cl)[C@@H](NCc2ccc(I)c(Br)c2)C1 2325230908 QWKCKFKSZUFEJL-KOLCDFICSA-N 464.550 2.548 50 10 JFGE NNC(=O)c1sncc1COCc1cc(I)ccc1Br 2367280680 QOIIPYXCFPSLKT-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE CN1CCC(CBr)(NC(=O)c2ccc(I)c(O)c2)CC1 2381136691 IESPGVSAFBALKX-UHFFFAOYSA-N 453.118 2.586 50 10 JFGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N 3640570 KIRHWAGCXLCRKH-OPEKNORGSA-N 479.467 2.637 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 10294310 DMJFDWKWQOOISN-CQSZACIVSA-N 451.504 2.729 50 10 JFGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623597 KBSIVFQQWDIGAN-VQIMIIECSA-N 468.579 2.548 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976296 QYQGETJAAJFSHT-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 27571166 MWJIBMXGCBPVOC-DHDCSXOGSA-N 471.263 2.992 50 10 JFGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216960504 CKBFCLMQHHQHCT-KHPPLWFESA-N 469.260 2.996 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(O)cc1 217160507 MRZVEJDBXGVPBD-YPKPFQOOSA-N 462.915 2.525 50 10 JFGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCCCC3)c3ccccc32)cc1 254509147 OVMRRCDBSZQDFI-UHFFFAOYSA-N 463.538 2.746 50 10 JFGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(O)cc2O)cc1 254835532 BNIODTRFKLLXLR-UHFFFAOYSA-N 462.462 2.838 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 254845717 PSGINRGFABDIIP-UHFFFAOYSA-N 459.446 2.639 50 10 JFGE CC1(C)CC[C@@H](CBr)N(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703950814 VDOYXIFGRAHCQS-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084025740 CHJXDFZXGDMEPJ-UHFFFAOYSA-N 484.498 2.806 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744779 JNLKHEZOYYTELO-UHFFFAOYSA-N 479.449 2.943 50 10 JFGE COCCNC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746825 HRQXDMNUIRUQOZ-UHFFFAOYSA-N 461.334 2.954 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc(F)c(F)c1F)n1cnc2sc3c(c2c1=O)CCCC3 1860772392 XHXAHCMTACYFNJ-VIFPVBQESA-N 450.442 2.776 50 10 JFGE CC[C@@]1(CBr)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2112709774 CCYDHVDSWFSIHZ-HXUWFJFHSA-N 487.416 2.515 50 10 JFGE CN(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cnn(CCCBr)c2)C1 2179786540 BTOROCWHPJNWFB-SFHVURJKSA-N 455.422 2.953 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(Br)cc2I)[C@H]1Br 2212612625 JOTPQKIALOUPRW-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2301722180 GTCUPUOAALUXES-JOCHJYFZSA-N 478.379 2.704 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2317605582 MNSLUFHGQZTHQR-RUZDIDTESA-N 472.350 2.642 50 10 JFGE O=C(NC1(C(=O)N2CCCc3cccc(B(O)O)c32)CC1)OCC1c2ccccc2-c2ccccc21 2341914188 RXNNXNNGSZOXGX-UHFFFAOYSA-N 482.345 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C[C@@H]1CCOC1 2364215790 XCWVQLALKSENPK-DLBZAZTESA-N 456.992 2.796 50 10 JFGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572274 RGJLTFHJEQUYNE-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE COc1ccc(/C=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1Br 31829599 RHUSVWROEFIKQR-UBENZQOVSA-N 490.383 2.899 50 10 JFGE COc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 254872687 SGUXLEOBVFPWFA-UHFFFAOYSA-N 470.526 2.882 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(C(=O)O)cc2)cc1 1084247235 AWGNHDFYLLMAMI-UHFFFAOYSA-N 495.557 2.777 50 10 JFGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1I 1084369408 WJNVJXUFXYSILG-ONNFQVAWSA-N 493.095 2.601 50 10 JFGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1 1674417511 AXEGCPVSLJKVLR-UHFFFAOYSA-N 451.233 2.792 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)c(=O)c23)C1 1860771035 GZYBPIDFIAYRLS-VXGBXAGGSA-N 455.496 2.513 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771654 CJZFHQDOXOQMAD-HUUCEWRRSA-N 498.605 2.941 50 10 JFGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867082764 FWYOANLJCXAOCA-HNNXBMFYSA-N 491.595 2.779 50 10 JFGE CCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962837 XHMVWQDTTFUYFM-MOPGFXCFSA-N 465.554 2.605 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCC2)CC[C@@H]1CBr 1946659893 JLPPPWIOHHQTDL-CQSZACIVSA-N 455.374 2.642 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC(C)(CBr)C1 2007015499 UFFUDMBGSHRKDL-UHFFFAOYSA-N 457.390 2.792 50 10 JFGE CCN1CC[C@@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2007644812 ROXJQAVKHJAOLA-IONNQARKSA-N 451.149 2.608 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 2046024780 CZNWOLIFORIHLM-BKTGTZMESA-N 473.364 2.590 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179832142 HARJQPLNPIAKSJ-XUVXKRRUSA-N 457.434 2.857 50 10 JFGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2220340353 KKJHSQBPBGOYBP-YGOSVGOTSA-N 475.380 2.834 50 10 JFGE O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc(B(O)O)c(F)cc1Cl 2258102189 JKZYZMOFZILFHK-UHFFFAOYSA-N 454.738 2.981 50 10 JFGE CN(Cc1cccc(I)c1)S(=O)(=O)N1CCC(Br)CC1 2280335911 OMCGYJIWRINBRZ-UHFFFAOYSA-N 473.174 2.827 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 9826256 AFRPRQSQSIPJNV-UHFFFAOYSA-N 467.547 2.970 50 10 JFGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13987000 XHSLZPCMBIZBKF-UHFFFAOYSA-N 488.482 2.581 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1I 13992757 WLAIQPNQBYBUTF-UHFFFAOYSA-N 454.264 2.757 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(Br)cc1 252628207 SKXGRQSGIIPZKI-UHFFFAOYSA-N 467.287 2.816 50 10 JFGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 1614103935 CDAGCNNJBNAZIK-GCZQMRLUSA-N 490.994 2.727 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)NCc1ccc(Cl)cc1)c1cccc(Br)c1 1634424903 AOZHFUMTFSXXCP-MRXNPFEDSA-N 453.724 2.810 50 10 JFGE COc1ccc(OCCCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771782 HRRPVCDETSOWJI-OAHLLOKOSA-N 484.578 2.913 50 10 JFGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1916366605 LARXWVATDDZNKI-KRWDZBQOSA-N 495.395 2.525 50 10 JFGE O=C(NC[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)OCc1ccccc1 2044684786 SFISTTKOZIJJGM-KRWDZBQOSA-N 474.421 2.729 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2078987146 QKYUPDMYMLQDPB-YWZLYKJASA-N 469.401 2.890 50 10 JFGE O=S(=O)(N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)N1CCCC[C@@H]1CBr 2179813962 ZVSFCOAQUCHKMO-HSALFYBXSA-N 456.450 2.935 50 10 JFGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2264201897 MCDGXAPACAHDNL-MRXNPFEDSA-N 465.369 2.550 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@H](CBr)C12CCC2 2306813791 XJPDXTWOSOOGHT-CJNGLKHVSA-N 455.374 2.546 50 10 JFGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1OCC 2324194710 OATWPGCEMDDWDH-UHFFFAOYSA-N 459.524 2.909 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)CO[C@@H]1C2 2359250240 CSLBCDFUDZOMPX-RKVPGOIHSA-N 461.378 2.685 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2364196785 DYJZHMZVEYUHET-INIZCTEOSA-N 499.427 2.801 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccccc1[N+](=O)[O-] 14025826 WGLNYZPLPKLVBU-UHFFFAOYSA-N 455.254 2.847 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])cc1OC 40583759 MMXWJEVCWIOWRV-UHFFFAOYSA-N 456.434 2.953 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccccc1C#N 1084125953 UUVGZFSWTIJOFN-UHFFFAOYSA-N 463.410 2.706 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1 1084579828 XMWDCTUAPDHSSE-UHFFFAOYSA-N 466.519 2.979 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(I)cc2OC)c1 1176937053 FJVDXINFAHFXQO-UHFFFAOYSA-N 451.289 2.913 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cccnc4Cl)c(=O)c23)cc1 1860770806 XNCIKZVMSUNLMR-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE CC(C)[C@@H](CI)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1936743611 AWTWOMWRWUJSGH-MRXNPFEDSA-N 492.379 2.832 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084888801 KGLNEKLJIGYSQG-LPMFXHHGSA-N 475.380 2.694 50 10 JFGE CN1C[C@@H](Br)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2086145186 JUHSROYHDSZILW-MWLCHTKSSA-N 487.961 2.861 50 10 JFGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cnn(CCBr)c1 2179813827 WZYQUSVPPSWDQS-QGZVFWFLSA-N 455.422 2.952 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2268609696 NEPLITUJHAGTIA-AREMUKBSSA-N 484.361 2.819 50 10 JFGE CN(CCOCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827087 NNKNXJYTKAPRCR-UHFFFAOYSA-N 475.405 2.516 50 10 JFGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623501 LQRLECXDWQVOCC-SFHVURJKSA-N 468.579 2.550 50 10 JFGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40646176 ZSKBTZSURAMMDW-UHFFFAOYSA-N 453.371 2.565 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)sc2c1CC[C@H](C)C2 254623923 LRNSJDCOTHRONC-ZDUSSCGKSA-N 487.534 2.602 50 10 JFGE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NNC(=O)c1ccc(Cl)cc1)CC2 731120089 ZRUASHGQZDKKFL-UHFFFAOYSA-N 474.945 2.666 50 10 JFGE O=S(=O)(c1ccc(N2CC[C@@H](B(O)O)C2)nc1)N(Cc1ccccc1)Cc1ccccc1 864233121 GTODQTILHWASPX-OAQYLSRUSA-N 451.357 2.526 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)nc2c1 1860769845 JOSIYRPKQMSADL-UHFFFAOYSA-N 472.530 2.851 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770678 RIZBDFFXJMHONU-UHFFFAOYSA-N 484.559 2.533 50 10 JFGE Cn1cc(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c(CCl)n1 1984707015 PZHXGUDWFBVDIV-UHFFFAOYSA-N 458.968 2.806 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCCBr 2000545800 VJMPHAXHFPKEQI-GOSISDBHSA-N 463.369 2.886 50 10 JFGE CN(C1(CCBr)CCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2085068852 NYKBYZBBWLPUIZ-GOSISDBHSA-N 475.380 2.980 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@H]2COC[C@@H]21 2102180219 HQXUUIBGQBRQJU-CHKWXVPMSA-N 451.589 2.947 50 10 JFGE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106778735 GRIRHZPKQUOZMF-UONOGXRCSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](CNS(=O)(=O)N2CCC(Br)CC2)(C2CC2)C1 2162588899 KYWDXGNRFZGBCX-SFHVURJKSA-N 466.442 2.717 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(Br)c1 2313860791 PELVQTLFTLUGAW-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE CC(C)(C)OC(=O)NCCOC[C@](C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2325062178 CWMPNNGKCFLNTJ-FQEVSTJZSA-N 497.680 2.867 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)CCOC[C@H]1NC(=O)OC(C)(C)C 2325066226 VUWAFPALYRPATC-JLTOFOAXSA-N 495.664 2.619 50 10 JFGE CCCCn1nc(C)c(/C=C/C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1Cl 15856787 NXXNQUYVBRCWDB-VAWYXSNFSA-N 456.934 2.849 50 10 JFGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1coc2ccc(Cl)cc2c1=O 20478778 OEZACMNMPNCOMZ-ODCIPOBUSA-N 454.291 2.528 50 10 JFGE Cn1c(/C(C#N)=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)nc2ccccc21 34990559 BICGAQQUOHRUBY-FBMGVBCBSA-N 468.517 2.989 50 10 JFGE COc1ccc(C(=O)NNC(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c(OC)c1 730579784 IXIJTPSAFVQVIS-UHFFFAOYSA-N 475.977 2.514 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1cccnc1 1084411564 MZRTYJUXHYTJIR-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC(C)(C)N(S(=O)(=O)N2CCC(Br)CC2)C1 1879070740 RVYJIGVIEKSDGP-CQSZACIVSA-N 454.431 2.858 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@@H]1Br 1944551604 TVWDWVQXSALYMZ-CPUCHLNUSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(S(=O)(=O)CI)C1 2007723222 PVOPKZTVRPGRGE-GFCCVEGCSA-N 466.341 2.912 50 10 JFGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2041122048 PCBUGAAFTCAKHB-KRWDZBQOSA-N 479.343 2.887 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053981577 JOIJYNAKQYSFEJ-VKJFTORMSA-N 469.401 2.746 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 2296321191 QTWLGPMQGKOXPQ-UHFFFAOYSA-N 461.590 2.596 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C2(CCOCC2)C1 2306800024 SYHMCRFXHQDOHH-CQSZACIVSA-N 454.349 2.586 50 10 JFGE Cc1cc(/C=N/NC(=O)C2CC2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3228805 HXXHRCAZIUDIHN-YZSQISJMSA-N 499.637 2.575 50 10 JFGE Cc1ccc(NC(=S)NNC(=O)[C@H]2CCCN([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1 251267246 JQMTYVHKDOPVCH-RXVVDRJESA-N 479.606 2.665 50 10 JFGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(OCC)cc2)cc1 254392756 BCUUBPVVOXTTDJ-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE CC(=NNC(=O)CC(=O)NN=C(C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c([N+](=O)[O-])c1 254735191 WTPZGCGLZWXOBK-UHFFFAOYSA-N 454.443 2.891 50 10 JFGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(-c4cccc(Cl)c4)no3)cc2)CC1 728215204 XUYXDLAIJIEBQN-UHFFFAOYSA-N 475.958 2.688 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 1942090124 UNOMFDMAYVQOLT-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC(C)(CBr)[C@@H]1CCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1950047949 MUDMLQVJNNZUTE-INIZCTEOSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CCCCl)CC1 1965810961 DOYGLBBMHNYWLH-UHFFFAOYSA-N 470.032 2.735 50 10 JFGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2064381235 GEBMIKXHBGXPLZ-DJJJIMSYSA-N 475.380 2.836 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2140552486 ZRCXYYQJLVTOEN-AREMUKBSSA-N 486.377 2.588 50 10 JFGE O=S(=O)(N1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)N1CCC[C@H](CCBr)C1 2187747131 FEBCZGQPTXTNGY-AABGKKOBSA-N 456.450 2.935 50 10 JFGE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(S(=O)(=O)N2CCC(Br)CC2)C1 2199524556 JDWCTNIXWQFWQK-UHFFFAOYSA-N 468.458 2.963 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CCCCCI)C1 2220217109 PDPQQERUUBRSSI-GOSISDBHSA-N 468.376 2.930 50 10 JFGE CCOC[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826029 GWOSULCOCZZEQN-HNNXBMFYSA-N 475.405 2.562 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 10154413 SFJVQTVVNRTPKO-KRWDZBQOSA-N 459.568 2.822 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 35521577 ONMWBFDIHOWNSQ-UHFFFAOYSA-N 459.549 2.728 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Br)c3N)CC2)cc1 40727831 CGMVKLARLZPPCZ-UHFFFAOYSA-N 498.385 2.913 50 10 JFGE CCOC(=O)/C(C#N)=C\C(C#N)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 102666582 CQNNKEBRNICGLP-XNGWWFECSA-N 454.840 2.583 50 10 JFGE CCCCOc1cccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1 169891781 WURRYJNJXXUASU-PVFDWLMNSA-N 453.524 2.621 50 10 JFGE C[C@@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916053663 CGAZXXDRVCXKRV-NFBGKYEXSA-N 452.946 2.861 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)c1ccccc1Cl 1084564703 CWYDDCDFZNKYMJ-UHFFFAOYSA-N 453.973 2.751 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccnc(Cl)c4)c(=O)c23)cc1 1860770562 NOUAHDHKZGUDIZ-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 1942097430 HXBQNWWGIBAXHZ-RRFJBIMHSA-N 455.374 2.640 50 10 JFGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H]1Br 2002521517 DRGQQFDQQBYIJB-GRDNDAEWSA-N 457.390 2.934 50 10 JFGE C[C@@H](CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1)N1CCOCC1 2066646191 UFXYBIFWHLLGJD-MAUKXSAKSA-N 468.376 2.928 50 10 JFGE CN1C[C@@H](Br)[C@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2090337084 OGOZHFSPICZNDF-NXEZZACHSA-N 477.016 2.567 50 10 JFGE O=S(=O)([C@H](CBr)C1CC1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179826352 RAUCYANOKVFPFX-UXHICEINSA-N 457.434 2.857 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 2182844274 BOHLZLCSWYAOKQ-IRXDYDNUSA-N 459.406 2.800 50 10 JFGE O=C1NC(=O)[C@H](c2ccc(Br)cc2I)[C@@H]1Br 2212612627 JOTPQKIALOUPRW-SFYZADRCSA-N 458.875 2.557 50 10 JFGE COC(=O)[C@H](I)CNC(=O)Cc1ccc(Br)cc1Cl 2229152690 OGVQNIGKBCBYOX-SNVBAGLBSA-N 460.493 2.738 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC(C)(C)[C@@H]1CBr 2267742751 YHPZYCHMOMIICD-INIZCTEOSA-N 487.416 2.513 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313624754 BILFDSRLQNBUBJ-UHFFFAOYSA-N 470.551 2.548 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10450702 HDZOSVUENMHGEN-VMPITWQZSA-N 493.339 2.780 50 10 JFGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 12503205 ZDFOKUIGCUOAQD-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE COCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823182 HRQXDMNUIRUQOZ-JQAMDZJQSA-N 461.334 2.954 50 10 JFGE Cc1cccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])CC2)c1C 54520655 KMVVBVFREKADNG-UHFFFAOYSA-N 492.496 2.993 50 10 JFGE CCOC(=O)c1sc2ncnc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2c1C 96469246 QJFQFXZNINEKIT-UHFFFAOYSA-N 489.579 2.718 50 10 JFGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@@H]1CCCO1 96652907 GBCNIANWKMPPRB-CKDIWJPDSA-N 495.026 2.828 50 10 JFGE COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770083 RZVCAPCFTVUATB-HNNXBMFYSA-N 484.578 2.598 50 10 JFGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025563 KBNYAZCRSRKDRA-YJYMSZOUSA-N 477.396 2.987 50 10 JFGE CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)C1=CNc1ccc2c(C)cc(=O)oc2c1 2296535519 PLFPMTMVBCYWMF-UHFFFAOYSA-N 460.490 2.619 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CN(CCOCCI)CCO2)C1 2306801973 LAHNKRHKRABOTL-QGZVFWFLSA-N 454.349 2.540 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CBr 2308992192 CHDMAXBYFODBHX-QXMSGVSCSA-N 473.364 2.588 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(OCCOc2ccccc2)c1 13629805 AFLUSUFHMRHUBK-IBGZPJMESA-N 463.490 2.547 50 10 JFGE COc1ccc(COC(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084643349 LJCNRDXKKXNUPO-UHFFFAOYSA-N 498.495 2.969 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729525 SIQSGMJERHLULM-UHFFFAOYSA-N 475.347 2.585 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1858081732 DJKCMKONZHBKRK-UHFFFAOYSA-N 466.494 2.871 50 10 JFGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867103927 WFYHMHCRFGMEAV-SFHVURJKSA-N 469.498 2.537 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 2030220337 UGCPMOFLWXMFLA-IAGOWNOFSA-N 469.401 2.744 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC[C@@H]1Br 2046029180 OKXCOTVUWHVWMR-AZOIQLNYSA-N 475.380 2.884 50 10 JFGE CN([C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106782881 UWZJHCUZBFGSBG-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2108233991 LBQMLIMVCKXOCO-PXAZEXFGSA-N 497.333 2.693 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2108235700 ZVESVFZAKGCGTH-YOEHRIQHSA-N 497.333 2.835 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2134139100 SSYZJGHCQZXSLC-WIBAPHFWSA-N 491.354 2.679 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)Cc2ccccc2I)CC1 2169367073 UVFJFSZFUULMSZ-GFCCVEGCSA-N 451.146 2.761 50 10 JFGE O=S(=O)(N1CCC(Br)CC1)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186712021 SQQCROZFBQGVOV-MRXNPFEDSA-N 470.355 2.839 50 10 JFGE C[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2223652701 KTZMLPDKTYSGMM-CQSZACIVSA-N 454.254 2.985 50 10 JFGE O=S(=O)(Cc1ccc(Br)cc1)NCCOCCCI 2226105810 RCQFJEFFNPGGHN-UHFFFAOYSA-N 462.147 2.710 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248405088 OVCBJWXQYCJOKZ-QKKBWIMNSA-N 479.367 2.715 50 10 JFGE COc1ccc(N2N=C(C)C(=C(C)NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 2313681565 ICCIWHIRBMBCFB-UHFFFAOYSA-N 454.483 2.652 50 10 JFGE Cc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(F)c1B(O)O 2327810477 VQIFMOFXHJTXGL-UHFFFAOYSA-N 474.297 2.824 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501555 FKXVTDIPUWFCEG-UHFFFAOYSA-N 496.330 2.589 50 10 JFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1 12503086 NBONITBJNAUGPC-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC)cc2)cc1 14031328 NQSAASPBQXYMBQ-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE O=C(COc1ccc(Cl)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 16525413 HCYIIWLBKOQDAY-MXAYSNPKSA-N 454.914 2.683 50 10 JFGE C[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2C1 28633963 AKTHBJVRHYHXIL-CQSZACIVSA-N 476.562 2.689 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc([N+](=O)[O-])c1O 169920289 DMHDBYLTCQSZGO-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)cc1 1623062136 PNCPRFLHOKQOMK-FUHWJXTLSA-N 454.527 2.903 50 10 JFGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1950506966 FCHVMOHEMOVPGF-ZIAGYGMSSA-N 457.390 2.744 50 10 JFGE CN(C)CCn1ncc(Br)c1C[C@@H](Br)CN1C(=O)c2ccccc2C1=O 1994843361 YVCTUZJSXWFHAD-GFCCVEGCSA-N 484.192 2.809 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1Br 2000532133 HKKAKOILTZWOGK-RKVPGOIHSA-N 461.353 2.636 50 10 JFGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[C@H]1Br 2048897925 XTTCNJFYHLGJAI-QOFYIIDASA-N 475.380 2.882 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@@H](Br)[C@H]1C2 2108226977 CEWBJKAGDIFRSA-RKURPORMSA-N 487.391 2.979 50 10 JFGE Cn1ncc(C(=O)N2CC[C@@](CBr)(C(F)(F)F)C2)c1I 2167687841 KYLGNHIZPQEWMV-JTQLQIEISA-N 466.039 2.814 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C2(CCCC2)C1 2179888706 LKOLEWFWQZRYSS-UHFFFAOYSA-N 466.442 2.956 50 10 JFGE Cn1cc(Br)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)n1 2303544448 DAYHCEZVVUUXES-CYBMUJFWSA-N 481.210 2.831 50 10 JFGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 3659587 UAGPOFJMBDUOOG-BRJLIKDPSA-N 482.449 2.761 50 10 JFGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13983537 NXNPPOLAERMXJV-GFCCVEGCSA-N 475.483 2.731 50 10 JFGE Cc1ccc(NC(=O)C(=O)NCc2ccc(C=NNC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 254391286 SFJYVDNHKHTGKN-UHFFFAOYSA-N 472.505 2.871 50 10 JFGE O=S(=O)(N[C@@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 323339727 XIEMDHAIXZACOY-RKDXNWHRSA-N 463.973 2.652 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cccc3cccnc23)c1 728263415 ZIMGYEXSXNPYDP-UHFFFAOYSA-N 496.998 2.542 50 10 JFGE CC(=NNc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1)c1ccc(Br)cc1 1084181665 INROHMYLMLBHQS-LLVKDONJSA-N 468.381 2.687 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccccc4Br)c(=O)c23)C1 1860769687 DBMVYZCTHCZAPM-NSHDSACASA-N 475.368 2.807 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1csc(Br)c1Br 1945184037 UIKFJVNUOJOJBE-YFKPBYRVSA-N 496.946 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2026560324 JBSUHYWIIFAGJD-OALUTQOASA-N 455.374 2.547 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2173357962 QVQSNYCKSNIESR-AWEZNQCLSA-N 466.442 2.860 50 10 JFGE Cn1cc(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)c(CCl)n1 2180000643 VDQHRXJQOSCRDV-SFHVURJKSA-N 452.964 2.629 50 10 JFGE O=C(NCCOCCCI)c1cc(Br)ccc1[N+](=O)[O-] 2185670021 UQHGLKFVJXEOFA-UHFFFAOYSA-N 457.062 2.929 50 10 JFGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccc(CBr)cc2)s[nH]1 2238239979 ULNZJNLIYKKXOE-UHFFFAOYSA-N 477.406 2.723 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCOC)cc2OC)cc1 2314737639 FLNKPJBFYXODBI-UHFFFAOYSA-N 454.479 2.748 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 2323404072 RJAHQTMRWOXVFH-CQSZACIVSA-N 452.536 2.767 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C[C@]1(CBr)CC1(F)F)C2 2379987212 FHQVXTHCIRJVEY-SJORKVTESA-N 455.340 2.745 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14020766 CLFWFGMTVWZPJI-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657312 GMQCDMIRZPFYOB-UHFFFAOYSA-N 472.567 2.790 50 10 JFGE N[C@@H](CSS[C@H]1CCN([C@@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 103593801 AMPOCARAOGXMMH-HZTBSONFSA-N 468.572 2.725 50 10 JFGE in-vitro N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234908 LMXMCLAPOKFNLO-PFONDFGASA-N 475.914 2.601 50 10 JFGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254343420 PIPFALHLDJAFIQ-UHFFFAOYSA-N 486.528 2.827 50 10 JFGE Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)C1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1 1088677873 SEBSORFJHJFOPK-VDGAXYAQSA-N 479.606 2.962 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1865851656 FQHJFVMAKJYLDY-DGCLKSJQSA-N 469.523 2.822 50 10 JFGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867190648 CJLPNKOZVIXVQY-GOSISDBHSA-N 480.502 2.610 50 10 JFGE CN(Cc1cccc(CNS(=O)(=O)CI)c1)C(=O)OC(C)(C)C 1983328845 CGAPUXNNCDYBGJ-UHFFFAOYSA-N 454.330 2.865 50 10 JFGE O=S(=O)(C[C@H](Br)c1cccc(F)c1I)N1CCOCC1 2145641108 JJYOJQFDFXEXIB-JTQLQIEISA-N 478.121 2.528 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H](Br)[C@H]1CC2 2216284776 FNHVQFQRTPKIKZ-IAOVAPTHSA-N 455.374 2.783 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(C)CCC[C@@H]1Br 2258814389 PKOIHPUBWSCWKT-SNRMKQJTSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)[C@H](CBr)C1 2316826294 XVTGMPBAMYFPFY-RHSMWYFYSA-N 475.380 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C[C@@H]1CCCO1 2364214050 KMFRNJPYICBXPH-SJORKVTESA-N 456.992 2.939 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Cl)C[C@@H]21 2364216795 RGQXFLBUCCDUOW-ZYSHUDEJSA-N 454.976 2.643 50 10 JFGE C=C[C@@]1(CBr)COCCN1C(=O)c1c(Br)c(Br)nn1C 2364228731 QGLLOJKGLDQPPL-GFCCVEGCSA-N 471.975 2.737 50 10 JFGE O=C(CCC(=O)NNC(=O)COc1ccc(Cl)cc1Br)NCc1ccccc1 13979609 ZVFAFQQAEIHBCP-UHFFFAOYSA-N 468.735 2.725 50 10 JFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C(C)C 13983778 GAHXJGMTWMLRNX-UHFFFAOYSA-N 467.183 2.577 50 10 JFGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1NNC(=O)c1ccc(Br)cc1 40784425 AXSMCAYZQXPTSG-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823033 VXAADCFLDQCVTF-LFVJCYFKSA-N 474.359 2.604 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 101067392 QIVMEUCMMQWLSX-UHFFFAOYSA-N 456.304 2.644 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 101567179 TZYUHCKTWCRJHV-UHFFFAOYSA-N 476.324 2.953 50 10 JFGE C[C@H]1C[C@@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959104 WVAFWBWCWROAMW-UONOGXRCSA-N 457.390 2.744 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 726713955 ABTRZLCXRMEDRU-UHFFFAOYSA-N 468.535 2.787 50 10 JFGE C=CC(=O)NCc1ccc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 1264086220 ZJPAZLBJJZQMQP-UHFFFAOYSA-N 459.502 2.908 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC 1617631249 PNWWXLDHRBAZIF-ZDUSSCGKSA-N 454.911 2.817 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)c1 1644837814 AUMOVNHIILLVTF-OAHLLOKOSA-N 453.593 2.797 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1 2040435964 ACYHDNAFPLXPLI-UHFFFAOYSA-N 465.959 2.854 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106306554 ZWKYKRUTOLDIOV-ZFWWWQNUSA-N 454.431 2.764 50 10 JFGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 2296658407 KTPSTYBCAKFCRM-UHFFFAOYSA-N 482.540 2.934 50 10 JFGE CCOc1cc(C=NNC(=O)CSc2nnc(O)nc2O)cc(Cl)c1OCC(C)C 2323177145 ZMEIZTKJBOTNHR-UHFFFAOYSA-N 455.924 2.612 50 10 JFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 12503141 GZXLBHBTUNUYFI-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE COc1cc([C@H]2C(C(N)=C(C#N)C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 96336652 QQNGOYKDELWEJA-GOSISDBHSA-N 450.495 2.900 50 10 JFGE NNC(=O)[C@H]1CC[C@@H](COc2c(Br)cc(Br)cc2Br)O1 110555214 YZUWIJHONMZMTK-OIBJUYFYSA-N 472.959 2.890 50 10 JFGE NS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1 252628684 SVNNIQMMRXYOPD-UHFFFAOYSA-N 475.526 2.980 50 10 JFGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3C)cc2)cc1 254521370 SSSKNZPRSWYYIA-UHFFFAOYSA-N 465.531 2.951 50 10 JFGE O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN1S(=O)(=O)c1cccs1 749264380 AWNDUJQQFUQORR-GFCCVEGCSA-N 464.447 2.972 50 10 JFGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1084575246 SCSZXLFTQFNUPG-UHFFFAOYSA-N 484.498 2.888 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)CC1 1772745044 PSJXSGZTQZJPOR-UHFFFAOYSA-N 482.493 2.992 50 10 JFGE Cc1cc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1N(C)C 1860769788 ICANQBCOCRLSBZ-UHFFFAOYSA-N 461.547 2.961 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772082 QBZHAFJSTTXELM-HOCLYGCPSA-N 468.579 2.987 50 10 JFGE C[C@H](C(=O)NNC(=O)CCCOc1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772240 WEFYTMVWSGCLQQ-OAHLLOKOSA-N 454.552 2.904 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 1892716149 XDYPVRIVIJYXGW-ZDUSSCGKSA-N 493.370 2.991 50 10 JFGE C[C@@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106297969 IJENVDZJQUYCSC-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE C=C[C@@]1(CBr)COCCN1C(=O)c1ccc(I)c(O)c1 2199848098 IZYYLMZBHQDSLV-CQSZACIVSA-N 452.086 2.789 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2248413892 BPBPKEZDKNBNSJ-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2248416051 LBNCQKVETAIZJE-HSZRJFAPSA-N 478.379 2.607 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2301117600 RLOPVCVGFIQORX-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12572294 XSZGEBDVAMNQMQ-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE Cn1cccc1/C=N\NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 20615581 HVVKACFXIYXKCX-JOAHSLRLSA-N 459.543 2.720 50 10 JFGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 34990554 GKXGNCFHIWJUAD-ICFOKQHNSA-N 454.490 2.978 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-])c1ccncc1 40611413 JLRSMMNVELZBDQ-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=NNC(=O)c2nonc2N)CC1 1084537490 PJELBMGWQNABST-UHFFFAOYSA-N 470.534 2.797 50 10 JFGE CCN(C(=O)[C@@H](Br)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1858181165 FVHBKMJCPNFWQD-JSGCOSHPSA-N 453.196 2.791 50 10 JFGE Cc1nnc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867032684 JREHJPYIBRNFBX-OALUTQOASA-N 451.508 2.589 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 1997914664 NIGVKPZGSZGWNC-OQUILHJVSA-N 455.374 2.544 50 10 JFGE CC(C)[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544201 YTBIQZJYXKVBMR-FZKQIMNGSA-N 463.369 2.597 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2106297819 ZKXBTROFXHSWPK-CQSZACIVSA-N 454.431 2.716 50 10 JFGE CC1(CNS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2106305150 MFSMCEILLCCVPM-UHFFFAOYSA-N 454.431 2.717 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2301663219 XTJNXMLVLCRZNV-QFIPXVFZSA-N 462.286 2.761 50 10 JFGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 2313890382 JPEUCYFDSOHECK-UHFFFAOYSA-N 478.368 2.962 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CCC[C@@H]21 2360232492 GOUQOJVVAOQCCF-KBMXLJTQSA-N 466.442 2.858 50 10 JFGE O=C(Cc1ccccc1I)N1CC2(CC[C@@H](CBr)O2)C1 2362006281 YQWAQRRUOPZSKA-LBPRGKRZSA-N 450.114 2.989 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629849 YHUJYVNJSHZJOJ-LSDHHAIUSA-N 478.343 2.622 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1 14654026 JJCGHBFVYTUFCC-UHFFFAOYSA-N 496.383 2.961 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 217232029 CLOIBWFTQDGORC-YPKPFQOOSA-N 491.913 2.727 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(N)cc3Cl)CC2)cc1 217253602 HABYSFRWRAFUEZ-PEZBUJJGSA-N 459.959 2.583 50 10 JFGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)C1 730935751 HBIOIZMARBADGG-BDBXIWDTSA-N 462.554 2.846 50 10 JFGE C[C@H](CN1CCOCC1)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1 916053661 CGAZXXDRVCXKRV-MCRQTXEHSA-N 452.946 2.861 50 10 JFGE CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)o2)cc1 1446931286 ZHRZSDKFQMXGGN-UHFFFAOYSA-N 455.330 2.589 50 10 JFGE CC1(C)CC[C@@H](Br)[C@@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1927088730 CHYLLOLMBWBUPJ-CZUORRHYSA-N 457.390 2.792 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1942096240 ACNDZJSYANJNIB-CABCVRRESA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCO1 2162589488 QXZSAXLKLSSFGW-LSDHHAIUSA-N 463.394 2.932 50 10 JFGE CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179786409 ADHHZDOWEVKICR-GOSISDBHSA-N 455.422 2.811 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179813999 XLHWFWHGBPADQR-IAGOWNOFSA-N 453.406 2.756 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCS[C@@H](CCBr)C1 2226106149 LHTYSXKOIJXTRP-QMMMGPOBSA-N 450.243 2.938 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1Br 13981210 NPENROGLLDGJRY-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccc(Br)cc1 40657877 NHLRAZOCDVHGPI-UHFFFAOYSA-N 490.249 2.800 50 10 JFGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(C)cc1 254294637 PSPABRPJXPKWAE-UHFFFAOYSA-N 476.497 2.591 50 10 JFGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 1138417914 QLSYZVOGZMXMII-UHFFFAOYSA-N 453.286 2.722 50 10 JFGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1540389635 VQQBOERZZAPSCV-LPHOPBHVSA-N 463.943 2.883 50 10 JFGE NNC(=O)[C@@H]1C[C@@H]1COc1c(I)cc(Cl)cc1I 2028051034 KGALQVUSSRKBMJ-IYSWYEEDSA-N 492.482 2.554 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 2042443179 PIRKLTUQPDOVEP-UHFFFAOYSA-N 483.594 2.870 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H](C)N1C(=O)OCc1ccccc1 2044690902 JHURRZQYMZGYCW-HZPDHXFCSA-N 474.421 2.822 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106306552 ZWKYKRUTOLDIOV-HIFRSBDPSA-N 454.431 2.764 50 10 JFGE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163049875 DTBQOXKCNODISZ-HNNXBMFYSA-N 463.394 2.838 50 10 JFGE C[C@H]1COCCN1CCOC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2257732856 LFQMNLPOMQIRDQ-HNNXBMFYSA-N 468.376 2.928 50 10 JFGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(C(=O)O)cc2)NC(=O)N1 59385578 GQTUECPMXZWXSB-KQFRHJRUSA-N 457.284 2.926 50 10 JFGE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728203883 VJZCTAJTXURABP-OAHLLOKOSA-N 475.480 2.861 50 10 JFGE Cc1cc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)ccc1OCCCC(=O)O 1318148148 PQAMNPCFMQEOGC-UHFFFAOYSA-N 471.329 2.624 50 10 JFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770715 UFOGQWUXCXCHEJ-UHFFFAOYSA-N 498.586 2.922 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Br 1924796254 ICUILUMTQZZAPC-CZUORRHYSA-N 455.374 2.546 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](CNS(=O)(=O)CI)C1 1983326492 ANCHNBFSZHXHMB-GFCCVEGCSA-N 458.362 2.726 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2078360141 ICRFXLRBJDJVTK-KVULBXGLSA-N 475.380 2.884 50 10 JFGE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593070 APBUSULNMXETMS-HOTGVXAUSA-N 463.394 2.884 50 10 JFGE O=S(=O)(Cc1ccccc1Br)NCCOCCCI 2226105601 HZAXBWHLTNGUAU-UHFFFAOYSA-N 462.147 2.710 50 10 JFGE CC1(C)OCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2267682538 GZSIYYCLPNUEIB-QGZVFWFLSA-N 487.416 2.657 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2c(F)cccc2I)CC1 2282795485 UUSZKCZKFHKKIX-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE CCS(=O)(=O)N1CCC(NC(=O)C(C#N)=Cc2c[nH]nc2-c2ccc(Br)cc2)CC1 2297444054 UEAMSAKLCHBPAX-UHFFFAOYSA-N 492.399 2.676 50 10 JFGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2324879161 PWTCOADJZQVRJB-UHFFFAOYSA-N 482.303 2.705 50 10 JFGE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C(C)=CC#N)c1C 2331562067 AVERWYCPLRBMQM-UHFFFAOYSA-N 468.447 2.913 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc21 15093045 GAWWKEOPFXMQHQ-UHFFFAOYSA-N 454.552 2.818 50 10 JFGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 33590280 IDYXMOWBBXMMNL-XLXASQRYSA-N 492.557 2.622 50 10 JFGE C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NNC(=O)c2ccccc2)cc1OC 96577014 BFBFZQPSMGYMKQ-YBEGLDIGSA-N 454.280 2.838 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 102686905 WANHRZKSMWQAMH-FLVWFLKISA-N 498.587 2.532 50 10 JFGE N=c1nc(CCCl)[nH]c(=Nc2cc(I)ccc2Br)[nH]1 382512983 PVCRWSLMWXYFRA-UHFFFAOYSA-N 454.497 2.598 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 703966558 HLMUQSVCRQIAAD-XOBRGWDASA-N 471.417 2.992 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccccc2OC)cc1 920847513 FQSBFDAMDZNKSI-UYRXBGFRSA-N 459.506 2.666 50 10 JFGE COc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(OC)cc3)cc2)cc1 1083971863 FCODBJCUPZOMDD-UHFFFAOYSA-N 490.516 2.762 50 10 JFGE C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C 1563453999 WLBOFBJVYWNKKQ-HXUWFJFHSA-N 454.575 2.620 50 10 JFGE CCCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963085 YXXSEIWOTXOWKA-UXHICEINSA-N 479.581 2.995 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CCl)C[C@@H]1C(F)(F)F 1877501329 RVWAWHKZIRPAOR-WMLDXEAASA-N 452.882 2.790 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNS(=O)(=O)CI)CC1 1984184437 OWDROTXRDQOYPL-VDISTLRHSA-N 464.341 2.722 50 10 JFGE C[C@H](CCBr)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532701 LTUYFESMBJRLHS-FZKQIMNGSA-N 463.369 2.741 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2026560323 JBSUHYWIIFAGJD-MOPGFXCFSA-N 455.374 2.547 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(CBr)CC1 2046023691 UVAIYXVYSMUSAY-QGZVFWFLSA-N 479.343 2.540 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H](CBr)C1 2046028714 KQENXEQVNRJHSZ-NJSLBKSFSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2048006279 SVLOODURVWYFMY-XFKAJCMBSA-N 469.401 2.792 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305727 REROTLHGLUDAAD-UKRRQHHQSA-N 454.431 2.764 50 10 JFGE CN(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@H]1Br 2146153033 KWHXCSZZQDOECT-MNOVXSKESA-N 491.043 2.910 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]2C1 2162586480 JARVYKJGBBEUER-IMJJTQAJSA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)CO1 2162600834 JVCUVVDFMNQZAD-CABCVRRESA-N 463.394 2.790 50 10 JFGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCOCC2)c1 2296547633 OYZDFFKAHSTDLN-UHFFFAOYSA-N 491.573 2.555 50 10 JFGE Cc1nc[nH]c(=NCC(F)(F)C(F)(F)CI)c1I 2317630313 PIKIYDQHWCJGLC-UHFFFAOYSA-N 488.992 2.929 50 10 JFGE COCCn1c(CBr)nnc1-c1c(Br)c(Br)nn1C 2338858502 UCZYGUFVMCNRCD-UHFFFAOYSA-N 457.952 2.745 50 10 JFGE O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100395552 MGKKUOALRGBFBF-BYNJWEBRSA-N 490.903 2.866 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F 1252479356 LHGQYGOCYPKWQH-NRFANRHFSA-N 457.937 2.696 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771045 HILOEGBMAMLKDJ-NEPJUHHUSA-N 455.496 2.513 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860772845 IZZRLMMWGKLNHO-HUENNPLPSA-N 470.551 2.759 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1997236390 IESDDMALMRXSQO-CABCVRRESA-N 457.390 2.888 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793010 JVVIPQMLLHIFEI-UHFFFAOYSA-N 473.485 2.982 50 10 JFGE O=S1(=O)C[C@H](Cl)[C@H](NCc2ccc(I)c(Br)c2)C1 2325230906 QWKCKFKSZUFEJL-GXSJLCMTSA-N 464.550 2.548 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1CC[C@H](CCl)CO1 2364204579 FCSHFYNXEQTIKB-IAGOWNOFSA-N 456.992 2.796 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(OC)c1OC 14030591 USXVGWNBSVQBCI-UHFFFAOYSA-N 461.540 2.697 50 10 JFGE CN(CC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)s1 15836294 SWIZNIWDHUWSQT-UHFFFAOYSA-N 474.004 2.546 50 10 JFGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990380 JJWFLKMDILDBDP-MNDPQUGUSA-N 471.517 2.892 50 10 JFGE Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)c3cc(Br)cn3C)n2)n1 105313664 CFZJQYVIMKARGN-UHFFFAOYSA-N 451.712 2.713 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1 1562496990 OCIBMFRXGLNVBK-AWEZNQCLSA-N 452.471 2.625 50 10 JFGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 1646462114 NXFCGFNNHXMTQA-UHFFFAOYSA-N 451.907 2.869 50 10 JFGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 1860770452 ISFKYOFGMVPMHU-UHFFFAOYSA-N 478.530 2.668 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](CCBr)C1 1942087128 FFWYODITUXKHBI-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 1942090122 UNOMFDMAYVQOLT-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C(F)(F)F 1942830496 DDQAMKWNJRKCNU-GFCCVEGCSA-N 471.295 2.554 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCN2CCOCC2)C1 2055689135 BQEOLEVWYJBPIG-SFHVURJKSA-N 468.376 2.930 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2162601223 LCVXNOOGEUVYEZ-DZKIICNBSA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@H]2C1 2163049589 APPHXGSBROTJLG-ZFWWWQNUSA-N 466.442 2.668 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1C[C@H](Br)[C@@H](Br)C1 2213760127 APJANGHINLJOCF-WDSKDSINSA-N 469.018 2.578 50 10 JFGE CCN(C(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 2297425636 UDWSAHJOJIXROL-NQIIRXRSSA-N 463.600 2.635 50 10 JFGE C=CC[C@@H](Br)[C@H]1CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299341127 OKWOIHKARVVQEH-IAGOWNOFSA-N 455.374 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](F)[C@@H](Br)C1 2301104460 ISQNXBYSOWXQHZ-HOTGVXAUSA-N 461.353 2.590 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309226384 VPBQBAWWMVOHHZ-STECZYCISA-N 469.401 2.648 50 10 JFGE CNC(=O)/C(C#N)=C1/S[C@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33558798 HWYCKSLWTCSFCG-XSLGSPGOSA-N 485.363 2.695 50 10 JFGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccccc3Cl)c3cc(Br)ccc32)CC1 254402392 JDCRPIKZZRFSOV-UHFFFAOYSA-N 490.789 2.788 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(F)cc3F)nnn2-c2nonc2N)cc1 254753330 ZAZIKGKDAREGEQ-UHFFFAOYSA-N 468.424 2.730 50 10 JFGE CN1CCN(c2ccc(NN(CCNC=S)C(=O)c3ccc(F)c(F)c3F)cc2)CC1 586420140 BFPSHWVYLOLQLL-UHFFFAOYSA-N 451.518 2.872 50 10 JFGE CCCCCn1nc(C(=O)NNC(=O)NCc2ccc(C#N)cc2F)c2ccccc2c1=O 729880077 XWLUBWFGHVPTQA-UHFFFAOYSA-N 450.474 2.742 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 731116923 DJVHWEXYQCAIFQ-OAQYLSRUSA-N 465.598 2.826 50 10 JFGE Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c(C)c1 1865760452 YBJVRPKYBJIHKS-UHFFFAOYSA-N 484.512 2.919 50 10 JFGE O=C(N1CCc2c(NS(=O)(=O)N3CCC(Br)CC3)cccc21)C(F)(F)F 2162591615 MLTNNMBKTYEATF-UHFFFAOYSA-N 456.284 2.654 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)Cc1ccccc1 2164503252 UAHVVBVERMGJJG-HRAATJIYSA-N 497.386 2.936 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(Br)cc1Br 2231679458 YLMDDNUKDCMRIH-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)ccc1OCc1ccccc1 2323157550 RFFIUGRKSPDARO-CYBMUJFWSA-N 455.496 2.501 50 10 JFGE CO[C@H]1C[C@@H](Br)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338684293 MFCDCYKOZYNYGT-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2CCC[C@H]21 2360232490 GOUQOJVVAOQCCF-CWRNSKLLSA-N 466.442 2.858 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 9821655 CLXIDNZKGAEUGC-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC 12502428 DOJKSJKFVXRUEV-UHFFFAOYSA-N 488.349 2.734 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 12503431 AHBRZVFQYFUESR-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)ccc1Br 13976915 HQGSPAQLBNUECG-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 13978829 GCFIVPZNRVKFAB-UHFFFAOYSA-N 492.557 2.970 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCCCC)c(OC)c3)cc2C1=O 14936195 LPUBABHSJZNNIT-UHFFFAOYSA-N 451.479 2.731 50 10 JFGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2cc(Cl)cc(Cl)c2O)[nH]1 20834464 YIOBFPPRBMMQAI-KPSZGOFPSA-N 460.347 2.549 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40657876 UXGSDSOARHVEBH-UHFFFAOYSA-N 490.249 2.800 50 10 JFGE CC[C@H](Br)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@@H]1c1ccccc1 170485624 BJXDPAFVTUDOCP-BBRMVZONSA-N 452.330 2.534 50 10 JFGE C#CCN1C(=O)C(=NNC(=O)c2cncc(Br)c2)c2cc(Br)ccc21 252631199 VJMZSETYGNCRJE-UHFFFAOYSA-N 462.101 2.721 50 10 JFGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cc(-c2ccccc2OC)[nH]n1 1633189407 AZJVAHGLWNPKNM-UHFFFAOYSA-N 458.478 2.911 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2046458634 UPBYQIUQSUCXKK-MRXNPFEDSA-N 469.401 2.888 50 10 JFGE CC1CCC([C@@H](CBr)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 2306824635 ZIZLLPLFWJOUGE-MQBCKMQZSA-N 457.390 2.792 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 2318462156 CLOIBWFTQDGORC-UHFFFAOYSA-N 491.913 2.727 50 10 JFGE CN1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338712197 WPXQKDCLJFDSDL-RNFRBKRXSA-N 480.020 2.805 50 10 JFGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1O 254321234 ZHJDTRAFFOTSMA-UHFFFAOYSA-N 452.511 2.942 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCC1 717583609 OSWNFFIFZNIQNQ-MRXNPFEDSA-N 457.390 2.792 50 10 JFGE Cc1nc(I)c(NC(=O)CCBr)c(I)n1 1975069534 BXLVLTJNHUSADF-UHFFFAOYSA-N 495.884 2.718 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106296546 ANVPCOFYRJBTQM-HIFRSBDPSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CNS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2162587362 SDULKADNQXJQBN-CRAIPNDOSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2162593620 IAJOXQDDZIBFLK-GFCCVEGCSA-N 476.384 2.572 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(I)ccc1Br 2231677625 HMYVKYSXDIZXJM-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE C=CC[C@]1(CBr)CCCCN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2250429144 XHPSHRHNMFMFCB-LJQANCHMSA-N 455.374 2.808 50 10 JFGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2255743007 MFXJZGCWJXMNSG-UHFFFAOYSA-N 458.751 2.590 50 10 JFGE O=C(NCCCC(=O)N1CCCc2cc(B(O)O)ccc21)OCC1c2ccccc2-c2ccccc21 2269564001 RLRIWOMXAKANAA-UHFFFAOYSA-N 484.361 2.965 50 10 JFGE CO[C@@H]1C[C@H](NC(=O)c2c(Br)c(Br)nn2C)C[C@@H]1Br 2338688444 JTGFVOVPOYEILB-DSYKOEDSSA-N 459.964 2.616 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2339937513 HTDNVVYBDDMCAR-AREMUKBSSA-N 484.361 2.568 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(C)c1Cl 10450586 PFMVAXQGADGNQC-VOTSOKGWSA-N 462.915 2.979 50 10 JFGE O=C(NNC(=O)[C@H]1Cc2ccccc2S1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 11682968 CLOICXGDBYVTBY-OAQYLSRUSA-N 456.531 2.866 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 40658272 VVUDLXRNSUTMBA-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE COCCn1c(C)cc(/C=C(\C#N)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 742920215 GNZHXABFHHJSMZ-PTGBLXJZSA-N 465.598 2.605 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 1084509050 QENBOHDLEMISKL-UHFFFAOYSA-N 478.343 2.674 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 1455417490 QCYUMDVJLDMBRG-KRWDZBQOSA-N 455.927 2.544 50 10 JFGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc2c1=O 1568384239 DEKMYSIAAJWAFE-LBPRGKRZSA-N 458.927 2.753 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751386 AORFVFIFHDXNIF-UHFFFAOYSA-N 464.453 2.978 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 1892720548 QOLNVLDMUJJJBU-YVEFUNNKSA-N 497.333 2.693 50 10 JFGE CC[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098317 NAJUFRLYZGXFOO-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CCCCN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544807 PVKHBCWNKDUXPO-GOSISDBHSA-N 463.369 2.838 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C12CCC2 2046028666 KFXRVEHVVWXBNW-YJBOKZPZSA-N 473.364 2.733 50 10 JFGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2106296665 UAXQGYUPOUPKLH-SFHVURJKSA-N 483.384 2.897 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2162586481 JARVYKJGBBEUER-NUEKZKHPSA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CCCC2(CC(NS(=O)(=O)N3CCC(Br)CC3)C2)C1 2162589876 VITATINQVILMCU-UHFFFAOYSA-N 466.442 2.860 50 10 JFGE CO[C@]1(CCl)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364202732 WDUAASFRWBPGNU-NRFANRHFSA-N 456.992 2.893 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C\c1cccc([N+](=O)[O-])c1 207183511 YPWBWGIWZVNYKJ-ZYJHPGJTSA-N 463.446 2.988 50 10 JFGE O=C(NN=C(C(=O)c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 254626752 BEHODVCVGNEBSP-UHFFFAOYSA-N 477.542 2.725 50 10 JFGE O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(B(O)O)cc1 1866097447 WCPHKHYSDMZYBN-UHFFFAOYSA-N 477.743 2.906 50 10 JFGE Cc1c(CN)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887551831 FXBDJNLXCNKDEN-UHFFFAOYSA-N 499.420 2.821 50 10 JFGE Cc1nc(I)c(I)n1-c1cc(CCl)ncn1 1936388839 QPKHIBBCDGNMKS-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](Br)CC12CCC2 2003751243 BEGOKMQUCRDUQP-CQSZACIVSA-N 455.374 2.785 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](OCCCBr)C1 2142047376 ZMGSZOVGVPMPTD-INIZCTEOSA-N 487.416 2.659 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2175048676 PVTGYWSWPYSIQE-ZFWWWQNUSA-N 466.442 2.764 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cccc(F)c1I 2178902469 GPMRSRLNFWDDJK-NXEZZACHSA-N 455.109 2.970 50 10 JFGE CC(C)N(CCOCCBr)S(=O)(=O)Cc1ncsc1Br 2234496852 PVWRFLODRKTHFE-UHFFFAOYSA-N 450.218 2.857 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2257375554 ZZPPHMUJAGVLPW-UHFFFAOYSA-N 470.334 2.573 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](CCl)OCC12CC2 2364217345 UWNHHOCUTJQHKT-MRXNPFEDSA-N 454.976 2.645 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13977144 PJWBMFYHIQXWLC-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE CC(=O)Nc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1 27519324 VVUXTFSAMJKWBS-QNBNLKTOSA-N 482.500 2.503 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 34917393 YSJGIPXGHCORSU-FLIBITNWSA-N 454.552 2.766 50 10 JFGE COC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1OC 58890229 MJYMVOLZQXXHNQ-QWUOEIFBSA-N 479.327 2.973 50 10 JFGE C[C@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cc(F)ccc1N1CCN(C)CC1 726277524 BCTPNDADUXYLAX-INIZCTEOSA-N 452.534 2.774 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccc(Br)cc1 1084557309 ASRKSHSLUGASHR-UHFFFAOYSA-N 491.371 2.855 50 10 JFGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3C[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 1615029665 WZQWRHWLQPEBFF-RDBSUJKOSA-N 451.600 2.797 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@@]1(CBr)C2 1942099608 VKZFSPOMOMHDFZ-LIRRHRJNSA-N 455.374 2.642 50 10 JFGE C[C@H](CCCCCI)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1982189799 HIQCLJVASDKELY-CQSZACIVSA-N 492.379 2.976 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCI)C1 2044704614 DZDXBLWLGSKEFH-LSDHHAIUSA-N 465.376 2.649 50 10 JFGE CCC(CC)(CCn1c(C)nc(I)c1I)C(=O)NN 2088989209 DXJIJMYRMGNCGG-UHFFFAOYSA-N 490.127 2.587 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2108243030 IAAYABUVQPYJFN-LIRRHRJNSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)CC2CC2)[C@@H]2CS(=O)(=O)C[C@H]21 2112863569 JYSWVVOEYIOWEB-ARFHVFGLSA-N 451.427 2.516 50 10 JFGE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)c1ccc(CBr)cc1 2163052973 JCTOXXFXJRYNOG-SFHVURJKSA-N 463.394 2.886 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2COC[C@H]21 2189101705 ZMBVEURCDKNQEH-CVEARBPZSA-N 461.378 2.590 50 10 JFGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268602089 GEBAZZCSVPRMAQ-VWLOTQADSA-N 488.349 2.877 50 10 JFGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40611582 TZJSDEGBVIBDFO-UHFFFAOYSA-N 451.462 2.603 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1ccco1 40658787 FZKDNSULVFPTPR-UHFFFAOYSA-N 452.214 2.798 50 10 JFGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccnc1 40659005 NLUSBDDMRJWHQE-UHFFFAOYSA-N 484.476 2.812 50 10 JFGE C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)N1CCCN(Cc2cscn2)CC1 727473060 FRWQHPXPVOIKCT-CQSZACIVSA-N 482.404 2.622 50 10 JFGE CC(C)COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852007 MSSBHCYKLCOAKG-UHFFFAOYSA-N 454.552 2.833 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)C1 1872963137 ZJAHRFRGPCIKBM-HOTGVXAUSA-N 491.470 2.715 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC1CC(NC(=O)OC(C)(C)C)(C(=O)O)C1 1900384956 QHHAQYFKLWMKOK-UHFFFAOYSA-N 465.638 2.993 50 10 JFGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025964 NEDBMLCXLXEIRW-URKNILKWSA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2048006511 VPBQBAWWMVOHHZ-VJUNAUMWSA-N 469.401 2.648 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CCO[C@]2(CBr)C1 2239902943 JREOXCIJARYOMR-IINYFYTJSA-N 452.086 2.623 50 10 JFGE O=S1(=O)C[C@H](I)[C@H](OCc2c(F)cc(Br)cc2F)C1 2271572832 ZJXLXMVFVJPBQE-WDEREUQCSA-N 467.069 2.845 50 10 JFGE COC[C@](C)(CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316822044 MRDWVCOBCHUJJI-IBGZPJMESA-N 475.405 2.562 50 10 JFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623493 RHESEVOIGSDVBJ-IBGZPJMESA-N 468.579 2.550 50 10 JFGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623607 IOLWWEHEJCUNGF-QFBILLFUSA-N 468.579 2.548 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(Br)cc2)cc(OC)c1OC 102478641 OOAWHEBJLZPGNC-TWGQIWQCSA-N 494.367 2.824 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1 254405680 YWWXQTURAFMGBN-UHFFFAOYSA-N 487.358 2.590 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 725401456 VIXBHQWFWGMBQD-UHFFFAOYSA-N 484.896 2.726 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)COc3ccc(C)cc3C(C)(C)C)cnc2s1 1865845091 HYUKLFGQBYJCJU-UHFFFAOYSA-N 456.568 2.853 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C1CCCC1 1942097415 HRZNZYHPICFZRK-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018108151 PDLONFFAYYMWAX-PNPHSEOMSA-N 461.353 2.588 50 10 JFGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2128863632 FTZAFHWRJVFWPH-LSDHHAIUSA-N 487.416 2.513 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2220272310 ABNZDYGPBLLZJM-SCLBCKFNSA-N 473.364 2.733 50 10 JFGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2302577962 UXVBVBFBAGZSEB-CRAIPNDOSA-N 463.369 2.692 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@@H]1COC[C@H]1Br 2338844023 XQIAVIADQORPTF-CRAIPNDOSA-N 487.416 2.562 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2355690549 YVTCPVNCIIYAKM-YRGRVCCFSA-N 450.114 2.702 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1Cl 14662614 LNMRPQJOGTVOJY-UHFFFAOYSA-N 457.708 2.968 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCCN3CCOCC3)c(OC)c2)cc1OC 96438643 QIGMYGFRURPTGG-JWGURIENSA-N 495.576 2.689 50 10 JFGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217203202 FNVONWCDLPFORM-DBZAVIBRSA-N 452.580 2.630 50 10 JFGE COc1cc(C=NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc(OC)c1OC 252599441 DJBUJTVNZFBVPB-AWEZNQCLSA-N 476.327 2.978 50 10 JFGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1083940583 CDZNZIRZNCRHPH-UHFFFAOYSA-N 455.430 2.913 50 10 JFGE CC(=O)c1ccc(Nc2ccccc2C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 1586946154 GLRFQZIUGYXTLA-UHFFFAOYSA-N 455.474 2.955 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771985 NRRXRASDEDAJEH-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 1872960057 ARXOVOSHXIRIGW-HUUCEWRRSA-N 459.909 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H](CCBr)CC1 1944705354 YFGOBGWAHZSQHU-HNNXBMFYSA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)NCc1ccc(CNS(=O)(=O)N2CCC(Br)CC2)cc1 2162592749 XJWQZMGOLVKCAX-UHFFFAOYSA-N 462.410 2.905 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)Cc1ccccc1I 2178898704 UIQYUNYQIPYOJR-CHWSQXEVSA-N 451.146 2.760 50 10 JFGE COc1cc2c3c(n(C)c2cc1Br)CN(C(=O)CCl)N=C3OC(=O)CCl 977823 AVEAKORGGAOLHC-UHFFFAOYSA-N 463.115 2.974 50 10 JFGE CCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c2ccccc21 254401257 BPOYIDLOTXGGEZ-UHFFFAOYSA-N 478.530 2.997 50 10 JFGE CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)C[C@@H]1CBr 687602996 ZGLWSGKWROSVCT-JTQLQIEISA-N 491.043 2.911 50 10 JFGE CC(C)(C)[Si](C)(C)ON1C(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=N[C@]1(N)O[Si](C)(C)C(C)(C)C 888085407 XVCBYWIFUHYKHS-ROYATCLZSA-N 490.750 2.749 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 1084540246 UFALOVKUEPTUSX-UHFFFAOYSA-N 491.460 2.710 50 10 JFGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NN(CC)CCO)ccc1Cl 1469436379 ZFQLPFGFXRNTIZ-UHFFFAOYSA-N 455.939 2.819 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCOc4ccccc4)c(=O)c23)C1 1860770046 QIEZRPROZGQNCQ-OAHLLOKOSA-N 454.552 2.589 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(OC)c1 1860771230 NJVXZYJEQUXJRW-KGLIPLIRSA-N 484.578 2.551 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2108233993 LBQMLIMVCKXOCO-SJKOYZFVSA-N 497.333 2.693 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H](Cl)CO2 2173125620 AJFNWXVNOFWWRA-HNNXBMFYSA-N 454.976 2.501 50 10 JFGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179824191 RVFMTABFTPQDBU-ZWKOTPCHSA-N 455.374 2.757 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12572339 WVLBWQOVKWRVBZ-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 14019418 DGQQDSRZNYJXAC-UHFFFAOYSA-N 469.563 2.843 50 10 JFGE Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 15092760 WTRJKHDCCAYOIT-UHFFFAOYSA-N 468.579 2.747 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)N(C(=O)COc2ccccc2)C2=NS(=O)(=O)c3ccccc32)cc1 59503243 DDGGINFOFIXCNO-UHFFFAOYSA-N 499.570 2.587 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)c1COc1ccc(F)cc1 254555958 UHRWPQYIOBPEIS-UHFFFAOYSA-N 490.377 2.733 50 10 JFGE C=CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccncc1 1684649221 QODIDUTWMKJUPO-FQEVSTJZSA-N 457.556 2.518 50 10 JFGE C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770434 HVFBEPAQTLEGFC-NEPJUHHUSA-N 480.999 2.807 50 10 JFGE C[C@H](Br)[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074730241 RJWNDZYUPHUQPL-GWCFXTLKSA-N 485.322 2.943 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(OC)c(B(O)O)c1 2317670727 GZDQGPRUMYHJAU-HSZRJFAPSA-N 474.322 2.631 50 10 JFGE COc1cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1O 2328827607 BZGUIEPETMHGKV-INIZCTEOSA-N 458.471 2.895 50 10 JFGE O=C(Cc1cc(Br)cc(Br)c1)NCCS(=O)(=O)CCBr 2360922010 UMQLXFFHPNEBCA-UHFFFAOYSA-N 492.027 2.680 50 10 JFGE CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)ccc21 15244094 RMDNNUQREXODID-UHFFFAOYSA-N 483.521 2.937 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 703994729 WPCDAICQSSVMIJ-CJNGLKHVSA-N 457.390 2.744 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 709868381 NRHSGMHTZKYDPS-RRFJBIMHSA-N 469.401 2.886 50 10 JFGE CC(=NNC(=O)Cc1ccccn1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 729148844 GMKNDTLMHPAVLG-UHFFFAOYSA-N 452.492 2.664 50 10 JFGE C#CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1230567013 ZHUUTTCYVCPYPM-NRFANRHFSA-N 454.552 2.570 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)c1cccc(Br)c1 1608490287 RVCXJXIKXHRZLC-IBGZPJMESA-N 456.296 2.946 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)[C@@H]2CCCC[C@@H]21 1984447920 PSJUKPBKAWNDHT-AVGNSLFASA-N 458.362 2.724 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@](C)(CBr)C1 2009760565 UFFUDMBGSHRKDL-HJGJAMNPSA-N 457.390 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@]21CNS(=O)(=O)N1CCC(Br)CC1 2162601815 MOQRJXVZYOYARY-KSSFIOAISA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Cl)CC2)CCN1C(=O)OC(C)(C)C 2217288221 SMVYRGBXIFBZTB-UHFFFAOYSA-N 483.031 2.639 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@H]2COC[C@]2(CBr)C1 2234559527 PTBDHQNJEWLBBN-XPTSAGLGSA-N 454.077 2.914 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1OC 2313617145 JAFPDALFXBMINH-UHFFFAOYSA-N 484.578 2.775 50 10 JFGE N#CC(=CNCCN1C(=O)CSC1=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609632 DHPXDQDRJVJUTD-UHFFFAOYSA-N 489.601 2.613 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(C1)OCCC[C@H]2Cl 2364201385 FRSMGWCFLXCRLX-GOSISDBHSA-N 454.976 2.645 50 10 JFGE C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736501 ZUADFFHSHFLXRW-MRXNPFEDSA-N 454.552 2.816 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502903 YYOXWRJEUVKSHY-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1[N+](=O)[O-] 59464104 CZPKLQVMNPTDEI-ZMOGYAJESA-N 482.518 2.772 50 10 JFGE CCOc1cc(I)cc(C=NNC(=O)[C@H]2COc3ccccc3O2)c1O 252629381 UESRUJVFSVRGGJ-MRXNPFEDSA-N 468.247 2.686 50 10 JFGE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)C(=O)NNC(=O)C1CCC1 1084167669 WMXMPWVXIJZOHB-SECBINFHSA-N 456.359 2.986 50 10 JFGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877553646 DRUKWDNLRZSVFX-LBPRGKRZSA-N 456.977 2.724 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942090040 SWUWUJRRDAKCRR-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)CI 1983329541 KOGLDLYJQFKGCM-NSHDSACASA-N 472.267 2.630 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@H]12 2000938872 WKRLZABBRQINHL-LPHOPBHVSA-N 455.374 2.642 50 10 JFGE CC1(CBr)CC(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2007014966 MBLPCOKHTSDHMJ-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780114 VEENAMNORVDLEG-KGLIPLIRSA-N 454.431 2.716 50 10 JFGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179824473 VSGXYCPNXTZWNE-QZTJIDSGSA-N 471.442 2.959 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2206181340 ZHFXKINEWRNURX-OFQRWUPVSA-N 466.442 2.716 50 10 JFGE Cc1cc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 2302867151 HDAHGFKFOOLTKP-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE NNC(=O)[C@@H]1C[C@H]1CCCOCc1cc(I)ccc1Br 2367268742 NUSONNXZMNYHQO-BXKDBHETSA-N 453.118 2.977 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccccc1)CCC2 101611524 AAKIACUTPKQWFA-ZXVVBBHZSA-N 490.516 2.907 50 10 JFGE O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 206607641 HBSPUNKDNFJPIG-FLIBITNWSA-N 450.476 2.862 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254740316 PCQLHOUVUJEOFE-OTMBKAPASA-N 481.603 2.874 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(CCc2ccccc2)n1N 1084517830 TVRYATPWKGXUSO-UHFFFAOYSA-N 489.399 2.791 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 1671437986 FDSDOOFCOHRUGD-UXLLHSPISA-N 455.515 2.518 50 10 JFGE C/C(=C\C(=O)NCC(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1868149380 CPTZCHXDGPKPCZ-RVDMUPIBSA-N 458.565 2.668 50 10 JFGE CC(C)(C)[C@@]1(CBr)CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1998034094 ICUKZSLISOKURL-LJQANCHMSA-N 457.390 2.746 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2046021541 CHDMAXBYFODBHX-IECZYAKXSA-N 473.364 2.588 50 10 JFGE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106772801 IBMDDBVIDDZYFI-HNNXBMFYSA-N 454.431 2.668 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)cc(Br)c1 2121337869 PFSBRFNUBWRISV-NXEZZACHSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(S(=O)(=O)N3CCC(Br)CC3)C[C@]2(C)C1 2163050560 KUXYWTHPWXKGNB-ROUUACIJSA-N 466.442 2.669 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1Cc2ccccc2C[C@@H]1CBr 2296321027 YUOMJECQLSSTSS-LJQANCHMSA-N 451.386 2.954 50 10 JFGE Cc1cc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c(C)o1 59156330 BCWASHCRODZVCL-YYADALCUSA-N 456.458 2.673 50 10 JFGE Cc1nc(N)sc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O 252476747 AUPIDJSDVZTMGP-UHFFFAOYSA-N 450.112 2.734 50 10 JFGE CC(=NNC(=O)c1nn(C)cc1I)c1cccc(NC(=O)C(C)C)c1 252620944 MPQRHWQVSHXBIH-UHFFFAOYSA-N 453.284 2.773 50 10 JFGE C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)C(C)(C)O 1625361988 AVXCLGTXZWXPIB-OAQYLSRUSA-N 451.523 2.778 50 10 JFGE CN(C[C@@H]1CCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098095 LLXVWXIJYIKBIY-WMLDXEAASA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC[C@H](Br)C1 2000001208 JULVCBOILUBGDG-CABCVRRESA-N 457.390 2.936 50 10 JFGE C=CCC[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2019480192 JBUQCDGLKRMVGS-FZKQIMNGSA-N 461.353 2.660 50 10 JFGE O=S(=O)(Nc1ccc(I)cc1F)N1CCC(Br)CC1 2105897228 ASMOZTCGONZWEJ-UHFFFAOYSA-N 463.110 2.946 50 10 JFGE COc1ccc(B(O)O)cc1NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257374507 TYIQIHXTCVDHOC-UHFFFAOYSA-N 474.322 2.631 50 10 JFGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 2297471331 CDAGCNNJBNAZIK-RBUKOAKNSA-N 490.994 2.727 50 10 JFGE C[C@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110971 KWWANJKPONKGSX-RRQGHBQHSA-N 457.390 2.934 50 10 JFGE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c1 2329699662 WJLGTTKYCNLNEB-GFCCVEGCSA-N 457.284 2.681 50 10 JFGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 59158588 HSFKXQKJBPPSSX-ZZIIXHQDSA-N 450.539 2.891 50 10 JFGE CC(C)n1nc(C(=O)NNC(=O)c2ccc[nH]/c2=N/c2cccc(F)c2)c2ccccc2c1=O 107909230 GDZAPDXXKULWGR-UHFFFAOYSA-N 460.469 2.752 50 10 JFGE C[C@H]1[C@H](Br)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704003899 UIURWCCOZAOOTC-XJKSGUPXSA-N 457.390 2.886 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cc(OC)c(Cl)cc1OC 1617631248 PNWWXLDHRBAZIF-CYBMUJFWSA-N 454.911 2.817 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860770184 XCFPLDTUZLEXHL-UHFFFAOYSA-N 475.530 2.853 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H]1CC12CCC(Br)CC2 1995932829 GAZVJHSEQGNSQB-CDJWAVJASA-N 455.374 2.546 50 10 JFGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018110306 SKAJANSFGMZAPZ-CZUORRHYSA-N 457.390 2.886 50 10 JFGE C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2106778228 BGQHMYWSHWOPPN-HIFRSBDPSA-N 454.431 2.858 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2132461484 NDKJZHIUHWGGTA-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](COCc2ccc(I)c(Br)c2)C1 2377639303 CVKKIBNXPYYJRV-GXSJLCMTSA-N 453.118 2.977 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1Br 10041708 KPTHHPNWHWDEKN-CSKARUKUSA-N 464.341 2.815 50 10 JFGE O=C(NNS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(Br)cc1 35551227 RLONZNDZZAJZLI-UHFFFAOYSA-N 469.542 2.883 50 10 JFGE COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1C 105794311 ARFNBVOYPHSUCK-RMGVSOKSSA-N 469.630 2.765 50 10 JFGE CC(C)[C@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310757950 XSEDNWLWJZAPBM-VIFPVBQESA-N 494.498 2.943 50 10 JFGE O=C(c1cccc(F)c1I)N1CCN2C[C@H](Br)C[C@H]2C1 721694237 XKEHCJHAYVXOQD-ZJUUUORDSA-N 453.093 2.724 50 10 JFGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1545967805 KCIKPIJQORQKLN-GOSISDBHSA-N 455.458 2.959 50 10 JFGE C#C[C@H](CCC)NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1683512833 RFTQGSVGJIHPEO-HXUWFJFHSA-N 456.568 2.562 50 10 JFGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)SC1=NNC(=O)c1ccccc1O 1772718582 IDLNFAYXZLOMOC-LJQANCHMSA-N 496.545 2.729 50 10 JFGE COC(=O)c1cccc(CNC(=O)c2cnc(C)nc2C2CCN(C(=O)[C@H](C)Cl)CC2)c1 1857516991 FDSHNXGWBMZKKU-AWEZNQCLSA-N 458.946 2.835 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(OC)c1 1860770264 AFNAPARNKLZCES-UHFFFAOYSA-N 492.557 2.841 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770278 BAEDUUACYVKVBO-ZIAGYGMSSA-N 490.607 2.552 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1csc(Br)c1Br 2057670819 TVERMCBAQGEDGU-RITPCOANSA-N 482.013 2.563 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2226313365 UYUUPWAIIIGFJW-GASCZTMLSA-N 452.415 2.564 50 10 JFGE CC[C@]1(C)[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2315138967 MKCIREVDJRJPSQ-AYOQOUSVSA-N 475.380 2.979 50 10 JFGE Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(F)cc1 33504378 LTHKQUNRCPABJL-QXMHVHEDSA-N 454.433 2.785 50 10 JFGE CCCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 33959365 JOONOYFNQQNRPV-LHLOQNFPSA-N 487.354 2.855 50 10 JFGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCCCN3CCOCC3)c(C)c21 40811441 VAWZQKMNIIIVSL-NHFJDJAPSA-N 452.555 2.819 50 10 JFGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 59167424 PQKQEXQLGBQPBE-SSDVNMTOSA-N 468.426 2.843 50 10 JFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 102855691 JPZSZHGTNDKVRB-LYPXWFNGSA-N 477.502 2.658 50 10 JFGE CCOC(=O)CN1C(=O)C(=NNC(=O)[C@]2(C)CC2(Cl)Cl)c2cc(Br)ccc21 254721726 IYKODLOEHVCRJB-INIZCTEOSA-N 477.142 2.763 50 10 JFGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc(OC)c1OC 254758862 MXYMZMPFDQPAIT-UHFFFAOYSA-N 455.496 2.509 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(I)cc2Br)[C@H]1Br 300897709 JGOVCWILFLGHFI-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 728086746 XGTMGNMWNYZXQD-JJLFXSABSA-N 451.479 2.804 50 10 JFGE Cc1ccc(-n2c(N(C)C)nc(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)c2Cl)cc1 915936961 BFTRHHHJNFYQKX-UHFFFAOYSA-N 463.933 2.704 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1 1083973802 IBAOIPWRMDFTAH-UHFFFAOYSA-N 497.308 2.792 50 10 JFGE C=C(C)CONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1300219588 HWKHSKXSZJUZLC-DHDCSXOGSA-N 458.316 2.719 50 10 JFGE C=C[C@@H](C)ONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1644295648 DJEYIWNCHXIJOB-GULXKOIASA-N 458.316 2.717 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)CI 1983329540 KOGLDLYJQFKGCM-LLVKDONJSA-N 472.267 2.630 50 10 JFGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1993397686 RBFITSOIAVRZAB-CZUORRHYSA-N 492.379 2.832 50 10 JFGE CC(C)[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544193 YTBIQZJYXKVBMR-ACJLOTCBSA-N 463.369 2.597 50 10 JFGE Cn1ncc(C(=O)NC[C@@]2(CBr)C[C@H]2C(F)(F)F)c1I 2192580344 MEVRTPVYSHCDKE-XCBNKYQSSA-N 466.039 2.718 50 10 JFGE CC1(C)CN(S(=O)(=O)c2cnn(CCBr)c2)CCCN1Cc1ccccc1 2193726208 PXVJGSSTEQXWTR-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2205239584 HYNKGXHUHNCHFG-KDOFPFPSSA-N 466.442 2.717 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(C)CCC[C@H]1Br 2258814388 PKOIHPUBWSCWKT-MNEFBYGVSA-N 475.380 2.884 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2284019592 AGWFOEOVKASLGG-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 2296732331 WNVOUBAWLIELCM-IAGOWNOFSA-N 450.520 2.646 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)ccc1B(O)O 2301662940 UPWZYDLHHQPAQF-HSZRJFAPSA-N 458.323 2.931 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1OC 2313617182 MASBZRGYAPHUIH-UHFFFAOYSA-N 463.943 2.780 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1Br 14661555 VRSPSWLMKRLHAI-UHFFFAOYSA-N 453.289 2.566 50 10 JFGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])c1 40659490 UUKRLPGCSPOVGG-UHFFFAOYSA-N 452.427 2.827 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 206489690 JVXASAAQEDPXPE-ATVHPVEESA-N 461.474 2.718 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1Cl 1084570505 DWTZNTUUFPOCAY-UHFFFAOYSA-N 454.664 2.929 50 10 JFGE CC(=O)N1C[C@@H](C(=O)NNc2cc(C(F)(F)F)nc(-c3ccccn3)n2)Oc2ccccc21 1160812482 DREMIPHJCVPDSL-INIZCTEOSA-N 458.400 2.815 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 1918925823 BJVPZRYTVDXGTQ-VQIMIIECSA-N 455.374 2.642 50 10 JFGE CN(CCN(Cc1ccccc1)c1ncc(B(O)O)cc1Br)Cc1ccccc1 1961718151 KPXZOAVYYIYZKY-UHFFFAOYSA-N 454.177 2.663 50 10 JFGE O=S(=O)(NCCOCCCI)c1cc(Br)cs1 1997683315 MGYXYNVZPMFRPG-UHFFFAOYSA-N 454.149 2.631 50 10 JFGE CC(C)(C)OC(=O)Nc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)CI)C1 2013087880 FHZKAFLJQUGDQI-JTQLQIEISA-N 470.333 2.658 50 10 JFGE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163054648 ZEXRKPBVLJXIIT-GJZGRUSLSA-N 463.394 2.884 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812010 LKXJQECCLKRVRQ-VQTJNVASSA-N 456.450 2.792 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCC(CBr)CC1)C2 2179824978 BFHOGTMXEXSKPY-WOJBJXKFSA-N 456.450 2.792 50 10 JFGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 13980539 SWRHWBDJPQSGOR-AWEZNQCLSA-N 475.567 2.940 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14023694 VTSBLQFVTWHLLL-UHFFFAOYSA-N 452.248 2.939 50 10 JFGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1F 40611585 YLSBOCNYPDSSOT-UHFFFAOYSA-N 451.462 2.603 50 10 JFGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40645772 YIKXKZHGCUSWSA-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 40884492 UNRZFIPCLLUXBI-LZYBPNLTSA-N 484.421 2.709 50 10 JFGE COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464132 MTRZPCREPASNMD-AFUMVMLFSA-N 465.531 2.641 50 10 JFGE O=C(N[C@H]1COC[C@@H]1Br)c1ccc(I)c(Br)c1 721576659 HACYWIQCJFMOLP-WPRPVWTQSA-N 474.918 2.946 50 10 JFGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1 1084345221 HANHBHPUPWAESJ-ZDUSSCGKSA-N 489.533 2.846 50 10 JFGE CSCC[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1317809301 PICFIKSXDGMAQD-OWCLPIDISA-N 482.400 2.507 50 10 JFGE C[C@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2046801287 GNEPKBNQZGKIHB-VQTJNVASSA-N 469.401 2.890 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CNS(=O)(=O)N1CCC(Br)CC1 2162601517 LWABWRBYOPYFJX-AWEZNQCLSA-N 466.442 2.717 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179834435 IYMBRAPFYMWPDQ-IBGZPJMESA-N 455.374 2.840 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2257377849 FFECHXFDDSFETQ-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338835157 DXYSAIOQAFOHFT-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2338850650 UUZLIRJSPOHMDN-ZTFGCOKTSA-N 487.416 2.703 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Br 10450679 SEXYAWKXWIDFQL-VMPITWQZSA-N 493.339 2.780 50 10 JFGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1I 12501602 PWXDUJVEBHISOC-UHFFFAOYSA-N 489.722 2.659 50 10 JFGE C/C(COc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 15890476 QDMJGMDZGFDYMM-UCQKPKSFSA-N 464.511 2.710 50 10 JFGE CN(CCOc1cccc(CNC(=O)NNC(=O)c2ccc(Cl)cc2)c1)C1CCOCC1 728133463 HBAQOIUOJYACHV-UHFFFAOYSA-N 460.962 2.974 50 10 JFGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCOCC2)cc1 730583130 JQNAUVRMJOQBFP-QGZVFWFLSA-N 481.578 2.875 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1)Nc1cccc(Cl)c1 1084071536 WYOGIYWXMINKIK-UHFFFAOYSA-N 465.897 2.519 50 10 JFGE CCCNC(=O)CN1C(=O)C(=NNC(=O)CSCc2ccc(Cl)cc2)c2ccccc21 1084580261 ABPAFARUYYEFEE-UHFFFAOYSA-N 458.971 2.967 50 10 JFGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1540285224 YEKBJECBSPTTGL-OAHLLOKOSA-N 451.520 2.723 50 10 JFGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1946247682 MACSPGCTYUEFIY-CQSZACIVSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299617 ZUULLUGIIATABE-ZFWWWQNUSA-N 454.431 2.764 50 10 JFGE Cc1c(NC(=O)COC(=O)C(C#N)=Cc2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 2297487100 DUSXRAGOUHFDIE-UHFFFAOYSA-N 459.506 2.639 50 10 JFGE COc1ccc(OC)c(NC(=O)CC(C)=NNC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2297710463 YKRIMFLBPLWFAV-UHFFFAOYSA-N 459.415 2.584 50 10 JFGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2329662396 LRQMTMVHZVOKMA-LJQANCHMSA-N 493.317 2.756 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2336324384 PMIFXXZJZJMMAQ-DZGCQCFKSA-N 457.312 2.922 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)/C(C#N)=C/c3ccccc3)c2)cc1 3257692 UYUFZOZESSNTLA-XMHGGMMESA-N 476.514 2.864 50 10 JFGE COc1ccccc1/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 34865048 FBKRCRQPCLINJG-LUAWRHEFSA-N 454.552 2.766 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C(=O)OC)ccc1Br 1625226853 HULXBCSLBIXQOJ-CQSZACIVSA-N 454.321 2.986 50 10 JFGE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859003223 HKFZABKOSBLQCW-UHFFFAOYSA-N 467.475 2.916 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771254 OKMWSLRUPMYRDX-KGLIPLIRSA-N 484.578 2.551 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772380 XCYBHPOXIOGGKA-LSDHHAIUSA-N 454.552 2.679 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 1872962016 OHXHUZJCVULSDM-HOTGVXAUSA-N 486.370 2.579 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC=CC[C@H]1CBr 2007529868 VGPTXSBESRQOSZ-HNNXBMFYSA-N 455.374 2.808 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1 2022845586 JASRFJTZXITDJP-HXUWFJFHSA-N 479.665 2.628 50 10 JFGE O=C(NC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F)OCc1ccccc1 2044256840 HJNGRBGYELINPO-CQSZACIVSA-N 488.326 2.537 50 10 JFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296727446 BVNVLMYDVXPFSQ-LJQANCHMSA-N 477.502 2.658 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1O 2320479830 IVZJYMLJGZKSSL-UHFFFAOYSA-N 491.367 2.964 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2364016930 DZKTXWSJJUUQRL-BIIVOSGPSA-N 471.975 2.712 50 10 JFGE CCCn1nc(C(=O)NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc2c1=O 17161917 YZAWWSXISXPUGW-UHFFFAOYSA-N 472.427 2.636 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)NNC(=O)c1ccc(F)cc1 20923436 KQHZWMHSEFDFQN-ZVBGSRNCSA-N 492.334 2.706 50 10 JFGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40587851 USEMMGJCNXBCOQ-UHFFFAOYSA-N 468.382 2.558 50 10 JFGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cnn(CCOC)c1 59913931 SQUHROLZLAFPSQ-BHGWPJFGSA-N 489.005 2.815 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 102993577 QCHTVMMRBTWKAX-YVWUKRILSA-N 464.547 2.955 50 10 JFGE CC(C)c1c(C(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 254871263 SSXJSUXUOVFIOB-UHFFFAOYSA-N 464.461 2.838 50 10 JFGE CC(=O)c1csc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 1135521823 DBNQVRXDPLKAOK-UHFFFAOYSA-N 457.533 2.504 50 10 JFGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1 1540343052 WPWHUXKGQUHZHW-FFCYNSPCSA-N 452.330 2.603 50 10 JFGE COc1cc2c(/C=N/NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)O)n(C)c2cc1OC 1873499176 IGNNBGMREJIASS-DSKMXOTJSA-N 488.541 2.991 50 10 JFGE Br[C@H]1C[C@H]1Cn1cnc(I)c1I 1881367470 VTCHTRXNKJULTE-WHFBIAKZSA-N 452.859 2.876 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(Cl)cc1B(O)O 1902972036 DMAWUCHIFWMLPI-ZDUSSCGKSA-N 484.770 2.625 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2039482663 KXZTVUDZMXQPJF-ZQIUZPCESA-N 469.401 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](F)(CBr)C1 2046022355 JNJCCDZRZLDRSV-ROUUACIJSA-N 479.343 2.540 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CC(OCCBr)C1 2095968972 RLGOFTNJOVVHTJ-UHFFFAOYSA-N 478.000 2.996 50 10 JFGE O=C1CN(C(=O)c2cc(Br)sc2Br)CCN1CCBr 2114630723 YWSLMUBWGUXGDT-UHFFFAOYSA-N 475.000 2.952 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CI)C[C@H]1C(F)(F)F 2242679624 OGZMMTNZZAYGRZ-BDAKNGLRSA-N 472.267 2.629 50 10 JFGE CC(C)(CI)CN1CCC(=O)NCCN(C(=O)OC(C)(C)C)CC1 2306819758 XKXGLCBRXWGXHQ-UHFFFAOYSA-N 453.365 2.507 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(F)cc1B(O)O 2306886532 MDHVXVBLBIUMGP-UHFFFAOYSA-N 466.249 2.512 50 10 JFGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41014147 UYHBVNJPEOHZBV-XMHGGMMESA-N 466.490 2.844 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cccnc2)nnc1-c1ccccc1Br 58989728 UKQWKFHEKHRSNO-WSDLNYQXSA-N 460.361 2.839 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccncc2)CCC3)cc1 101604808 BHQQDHHORKYLBY-NLRVBDNBSA-N 461.478 2.537 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(N3CCCC3)nc2)cc1 920853013 FPEHKKDLOZIEAF-KGENOOAVSA-N 499.575 2.653 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942090048 SWUWUJRRDAKCRR-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 2029233024 OENGPZMBZBZGQF-JYJNAYRXSA-N 469.401 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2199775635 KEEZRERBXZLZOB-FHLIZLRMSA-N 499.427 2.513 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H](CN(S(=O)(=O)N3CCC(Br)CC3)C1)C2 2207036032 WVHSIHASCFLBKF-RDTXWAMCSA-N 466.442 2.860 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](Br)[C@H]1CC2 2222303910 YIBZEHZRIXRXPG-XJTZBENFSA-N 473.364 2.731 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2CCCCI)CC1 2256382217 OVPXXZVOTLMMSJ-HNNXBMFYSA-N 465.376 2.745 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C[C@]2(CBr)CC2(F)F)C1 2379985387 HMKNPBTVYRRPKF-SJORKVTESA-N 455.340 2.745 50 10 JFGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 10671313 ZIYKRPSMVLXVJG-MRXNPFEDSA-N 456.568 2.596 50 10 JFGE Cc1cccc(NCc2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2-c2ccccc2)c1 20829112 FCUHJCPSTFKHGZ-UHFFFAOYSA-N 464.473 2.990 50 10 JFGE C=CCOc1c(I)cc(C=NNC(=O)CC#N)cc1I 252624084 PFZOUUFZNKHDJC-UHFFFAOYSA-N 495.058 2.824 50 10 JFGE C[C@H]1C[C@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703958226 NMDLRQSVAHEPDT-LSDHHAIUSA-N 471.417 2.992 50 10 JFGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 726276478 ADZZTYARHWABOS-QZTJIDSGSA-N 477.675 2.786 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)N3CCCCCC3)cc2)cc1 1084364404 BWCNFTLDWQCNDZ-UHFFFAOYSA-N 452.511 2.565 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)c1 1644837813 AUMOVNHIILLVTF-HNNXBMFYSA-N 453.593 2.797 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1[N+](=O)[O-] 1860771516 ZAUDRCSPVYYNKE-NEPJUHHUSA-N 485.522 2.522 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 1926404965 CDGUQLQDTFZHGW-CQSZACIVSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H]2CC[C@H](Br)C[C@H]21 2001967182 OCTSQUJMIPULKU-JKIFEVAISA-N 455.374 2.640 50 10 JFGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046022627 LMHMPPYYDRCGGA-KSMMKXTCSA-N 475.380 2.836 50 10 JFGE COC1(CBr)CN(S(=O)(=O)c2cc(Br)ccc2Br)C1 2101061495 AHWMEHFVAFTCSY-UHFFFAOYSA-N 478.000 2.996 50 10 JFGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2106295862 MDQPGKSJTZSSJM-GOSISDBHSA-N 483.384 2.897 50 10 JFGE Cn1nc(CNS(=O)(=O)CCC(CCl)CCl)c(I)c1Cl 2174383019 ACZPULVXDDWSQM-UHFFFAOYSA-N 474.579 2.581 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CBr)C1 2239187027 AJXSFGCNUUWCNG-DYESRHJHSA-N 499.427 2.515 50 10 JFGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)cc1C(F)(F)F 2267262074 MNXRACTVINTTKC-UHFFFAOYSA-N 466.265 2.552 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@H](CI)c2ccc(Br)cc2)C1 2285603984 XQGBUUUHKBKOGO-CHWSQXEVSA-N 474.158 2.976 50 10 JFGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 2325051744 RXHINKLRHWPVIT-SFHVURJKSA-N 478.549 2.835 50 10 JFGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 2325903338 AHZBMHXDHFHWAD-UHFFFAOYSA-N 495.605 2.734 50 10 JFGE NNC(=O)c1coc(CSc2cc(I)ccc2Br)n1 2338335703 ZIBJTHPHIWMZFP-UHFFFAOYSA-N 454.087 2.938 50 10 JFGE OB(O)c1cc(Oc2cc(Br)cc(I)c2)ncc1Cl 2338896233 UXRKFGUBXONXDC-UHFFFAOYSA-N 454.254 2.574 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@]2(CBr)CC2(F)F)C1 2379982478 ZFGRBRZPYGIHMJ-CXAGYDPISA-N 454.356 2.760 50 10 JFGE Nc1c(NNC(=O)COc2ccccc2)ncnc1Nc1ccc(I)cc1 40782381 RUSKIWRKSPXRMR-UHFFFAOYSA-N 476.278 2.929 50 10 JFGE Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)c1 102976642 CHCJHGSTMVSSKW-CKVBZJJFSA-N 461.591 2.700 50 10 JFGE N#C/C(=C/NCCCN1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216495032 IEJHVCPILJFYNE-RWEWTDSWSA-N 473.621 2.640 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)s1 729613748 HGCBLHFOIUIONZ-UHFFFAOYSA-N 458.993 2.619 50 10 JFGE CC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@@H]1NC(=O)OC(C)(C)C 2106775490 YJQTZKBSUQHDKZ-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CCc2nc(NS(=O)(=O)N3CCC(Br)CC3)sc2C1 2198508600 GJCQZFPRHQHNME-UHFFFAOYSA-N 481.438 2.952 50 10 JFGE Cc1ccc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2278710639 WRDUFLRHDNTLIR-AREMUKBSSA-N 486.377 2.854 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1cc(Br)ccc1I 2303591532 AVEZTCAKBBPYMU-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)CCc1ccccc1 12502016 LCQBFBDCKDZHAK-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572213 ZAVFFCODEXHFAB-UHFFFAOYSA-N 493.383 2.902 50 10 JFGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40645787 GMXVATNIYYIMLQ-UHFFFAOYSA-N 452.427 2.827 50 10 JFGE C/C(=N/NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccc2c(c1)OCO2 58989992 VILZVUICGNYZEW-JJFYIABZSA-N 489.355 2.783 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)NNC(=O)c1ccccc1 59812572 IYZLKXHXECRWRB-KEBDBYFISA-N 474.344 2.567 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 725414717 MKPMNZFVMWYSAP-RTWAWAEBSA-N 496.589 2.682 50 10 JFGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccc(F)cc2)c(OC)c1 1084022950 XSIYGDCCFRLCFF-QFIPXVFZSA-N 484.484 2.554 50 10 JFGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccccc2Br)n1N 1084206277 GILRXXSOMBSLCE-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084379306 VXMJCIYKPGMUBL-UHFFFAOYSA-N 496.501 2.712 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=S)CCC2 1772750608 YGRVGYPZNNASEJ-UHFFFAOYSA-N 454.339 2.843 50 10 JFGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860770216 YCTZAXBNKBYTSY-JOZWUWCOSA-N 496.589 2.851 50 10 JFGE Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961107 IYPODKTXOYAPQD-IRXDYDNUSA-N 455.946 2.778 50 10 JFGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(N2CCNCC2)c(C)c1B(O)O 1887515163 CPQYEOUUHYNSJL-UHFFFAOYSA-N 499.420 2.740 50 10 JFGE CC(C)[C@@H](Br)C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1954634119 HTWUHEZXAGWUGA-CYBMUJFWSA-N 452.390 2.940 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCBr 2046022823 NGVJAMBOJFUYKS-AUUYWEPGSA-N 475.380 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 2046030351 XMJSICGXHUYEEA-CRFBAAHOSA-N 475.380 2.884 50 10 JFGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 2325053100 QOMLJWMKLKOQCK-LJQANCHMSA-N 498.605 2.603 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1C[C@H](Br)CCO1 2338863664 MPUGAZONYPMXLE-RQJHMYQMSA-N 459.964 2.617 50 10 JFGE COc1ccc(CC(=O)NCCOCCCI)c(Br)c1 2364169432 WYYRRXPQLNJTEC-UHFFFAOYSA-N 456.118 2.958 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2364206501 TYCXNIKBRODGSC-GHTZIAJQSA-N 499.427 2.659 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2364231100 VHQHDJZBAPBWKH-KRTXAFLBSA-N 471.975 2.571 50 10 JFGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 10737005 SVVYTEQQLUQXAM-UHFFFAOYSA-N 456.568 2.605 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 101569249 IYVXPQKHXSMVFK-UHFFFAOYSA-N 492.323 2.653 50 10 JFGE CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O)(c1ccccc1)c1ccccc1 196092872 LXEXLEJMTPMTAW-BHDDXSALSA-N 489.652 2.634 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1 253567341 JYQQQFPAXMTAQJ-OVVQPSECSA-N 472.549 2.908 50 10 JFGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(C(=O)O)cc1 254740434 VADWFBAUHIIZDI-UHFFFAOYSA-N 451.504 2.726 50 10 JFGE O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNc1ccc(F)c(F)c1F 727759577 GQEFVHOYCZUZTM-UHFFFAOYSA-N 457.352 2.814 50 10 JFGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c1 1084004200 QHRDEWAYMYTUJC-UHFFFAOYSA-N 452.511 2.612 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)NN=Cc2ccccc2OCC(=O)O)c1 1565518642 DDICRPYPWGQEMD-UHFFFAOYSA-N 489.531 2.785 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 1872962017 OHXHUZJCVULSDM-HZPDHXFCSA-N 486.370 2.579 50 10 JFGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c(C(=O)O)n2C 1873499311 PHQGNIFAHBNULM-REMUQMNCSA-N 458.515 2.982 50 10 JFGE CN1CCC[C@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2007642954 GNLWPDMTRIMNKW-VXNVDRBHSA-N 451.149 2.608 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2055499956 QLAMUSGBDRGKAC-BMIGLBTASA-N 489.285 2.646 50 10 JFGE Cn1nc(CNC(=O)N2CCC(Br)CC2)c(I)c1Cl 2117756243 NDZJSTCHUKPTQA-UHFFFAOYSA-N 461.529 2.747 50 10 JFGE O=C(Cc1ccccc1I)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146692616 KJCOJZUKWYJIQG-UBHSHLNASA-N 450.114 2.987 50 10 JFGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179830540 MDOFLTASCHJYJS-QUDVFMAMSA-N 457.434 2.855 50 10 JFGE O=C(Cc1ccccc1I)N1CC[C@]2(C[C@H](Br)CO2)C1 2201779119 NTJQMLICWWYOSG-WFASDCNBSA-N 450.114 2.989 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CBr)(C(F)F)CC1 2261197903 CGWLUNAGSIWXNB-UHFFFAOYSA-N 479.343 2.745 50 10 JFGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc1 2323157409 FPIAIADGSZYUAN-HNNXBMFYSA-N 452.540 2.940 50 10 JFGE C[C@@H](Sc1nnc(O)nc1O)C(=O)NN=Cc1ccc(OCCCc2ccccc2)cc1 2323157796 POKWJVFAAJGRHT-OAHLLOKOSA-N 453.524 2.925 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 2325886160 BHHWZMUDTZXOEL-KBPBESRZSA-N 481.534 2.913 50 10 JFGE COc1cc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1I 59248719 DKDQQOFLNZNBOW-KKBVUKDESA-N 468.247 2.916 50 10 JFGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965974 VUPPJUQOGINGLG-KGLIPLIRSA-N 457.390 2.886 50 10 JFGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 916310372 YPJGQFOCPKYGOS-QHCPKHFHSA-N 498.605 2.607 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccnc(N3CCCC3)c2)cc1 920850642 BDXUKLDBFMWNNH-QNGOZBTKSA-N 499.575 2.653 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCCc3ccccc3)cc2)cc1 1084063966 ZUSVPKTTYPKUMV-UHFFFAOYSA-N 474.517 2.522 50 10 JFGE C=CCCC[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 1654359757 KHRLXDIUCNFNCY-HXUWFJFHSA-N 457.600 2.601 50 10 JFGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCC1CC(S(C)(=O)=O)C1 1905122501 RRTBTHHZUPLKIB-KOHJWAIASA-N 461.362 2.545 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1Br 1924801385 MLMXRXJYEKNJBG-WMLDXEAASA-N 469.401 2.936 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2206181341 ZHFXKINEWRNURX-SQWLQELKSA-N 466.442 2.716 50 10 JFGE Cc1csc(CN(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248397952 PFBPBYXGPMJJTF-MRXNPFEDSA-N 478.379 2.622 50 10 JFGE Cc1cc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2248899891 PWVGGXABUAEGKO-UHFFFAOYSA-N 478.379 2.671 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2317658834 PPBKOJUFSSSLNQ-SSOJOUAXSA-N 472.350 2.861 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC1(CBr)CCOCC1 2338861881 UWUHAECOYVQJCH-UHFFFAOYSA-N 459.964 2.619 50 10 JFGE O=C(NN=Cc1cc(I)c(O)c(I)c1)c1cccnc1 252614468 JJYOZZDWEBYMMC-UHFFFAOYSA-N 493.042 2.760 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)Cc1ccccc1 703978484 AWWZWCZMRISZDD-UHFFFAOYSA-N 465.369 2.900 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1083945474 SDQZMTWRFIOTMC-UHFFFAOYSA-N 475.417 2.949 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccco1 1084280821 HAERAFUGUCCXKA-UHFFFAOYSA-N 454.870 2.717 50 10 JFGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1084387875 AKVVFLBDVXIMRZ-KRWDZBQOSA-N 489.488 2.940 50 10 JFGE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1087393612 DQBKHHSLNJMFAE-ZHACJKMWSA-N 497.346 2.997 50 10 JFGE C#CCCCC(=O)NNC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1310011434 VLRVKZKXYPSPRW-UHFFFAOYSA-N 456.524 2.607 50 10 JFGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771396 VFEWFWHRKQRJKZ-ZHACJKMWSA-N 460.515 2.994 50 10 JFGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1[C@H](O)C(=O)CCCC)C(=O)OC3=O 2080455783 OUGYUPZNFMDUCQ-FRJOHTASSA-N 474.550 2.901 50 10 JFGE CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)CCCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080455785 OUGYUPZNFMDUCQ-OAMSFIRJSA-N 474.550 2.901 50 10 JFGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179824190 RVFMTABFTPQDBU-ROUUACIJSA-N 455.374 2.757 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)CCC12CC2 2214753492 MTEBDDKUFREAER-CQSZACIVSA-N 455.374 2.785 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2256618602 RREPBZITCWDNKF-FYSMJZIKSA-N 492.406 2.998 50 10 JFGE O=C(N(CC(F)F)[C@@H]1CCCN(CCOCCI)C1)C(F)(F)F 2306803306 XCKBASNUTYQBDX-SNVBAGLBSA-N 458.209 2.558 50 10 JFGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738115 IQDXXCMDKMPQFA-UHFFFAOYSA-N 461.474 2.720 50 10 JFGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c1 13981154 GPCSOIZSVYLBFX-UHFFFAOYSA-N 497.358 2.931 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14770907 QUQIKAZRJPXVJO-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE O=C(NNC(=O)c1cccc(OCc2cscn2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17517121 FBIGZQDYCDGFAR-UHFFFAOYSA-N 486.575 2.581 50 10 JFGE Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)OCC(=O)NC(=O)NCc1ccccc1 33499336 FMTCQGXOPFBSAI-MOSHPQCFSA-N 457.490 2.965 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-])c1ccccc1 40657238 FZOCVJAXFZYZDH-UHFFFAOYSA-N 472.259 2.661 50 10 JFGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1OC 58989792 FLHSFDCFFDOHPF-OYKKKHCWSA-N 470.555 2.794 50 10 JFGE COC[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 229014088 CXGNZHLYTCULET-MRVPVSSYSA-N 465.989 2.900 50 10 JFGE Cc1ncc(CO)c(C=NNC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1O 254863284 LGLQDRHNOIVZJG-HZPDHXFCSA-N 454.527 2.520 50 10 JFGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Br)cc2)C1 730936117 IRTNXTAKABUNOY-GYKGCMEESA-N 499.413 2.553 50 10 JFGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)cc1 1772746282 SYUPVCFJWUEZEB-UHFFFAOYSA-N 450.451 2.735 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H]1CCCC2(CCC2)[C@H]1Br 1924836240 MKQVEEUSBVSKED-PBHICJAKSA-N 469.401 2.936 50 10 JFGE COC(=O)[C@H](CCCl)NC(=O)c1cc(Br)ccc1I 2139584169 OBXCOHRRNWLJRN-JTQLQIEISA-N 460.493 2.954 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)CCO1 2162589486 QXZSAXLKLSSFGW-GJZGRUSLSA-N 463.394 2.932 50 10 JFGE CO[C@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)N(C(=O)OC(C)(C)C)C1 2172465256 WCRUCSJCZNKSHT-CABCVRRESA-N 463.394 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1O 2172854100 OBQIDAKEPGNWSF-IMJJTQAJSA-N 463.394 2.524 50 10 JFGE Cc1ccc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248901506 JBZIICAYAPLPLY-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2256679277 VSYQPUNIOSTGSS-UPCLLVRISA-N 473.338 2.653 50 10 JFGE Cn1nc(Br)cc1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2303540587 SGIFCQNDHCGUHM-CYBMUJFWSA-N 481.210 2.831 50 10 JFGE C[C@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 2325118193 FNVONWCDLPFORM-KRWDZBQOSA-N 452.580 2.630 50 10 JFGE COc1cc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 2325903347 CHCZLXNHERARPA-RYUDHWBXSA-N 485.522 2.917 50 10 JFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1ccc(Br)o1 12570831 RWGSRNIJQBFKSK-UHFFFAOYSA-N 473.736 2.750 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39919015 UTTOTFGIIRKJRL-NDEPHWFRSA-N 499.546 2.777 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1c(OC)cccc1OC 207176746 WIQMPOMOKOAKEM-LGMDPLHJSA-N 452.463 2.697 50 10 JFGE COc1ccccc1NC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 216990618 BLLVTRGGKKVWCD-PFONDFGASA-N 476.942 2.828 50 10 JFGE COc1ccc(OCC(=O)NN=C(C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 1084106791 SPJRMWYJVUUJOU-UHFFFAOYSA-N 451.483 2.631 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NCCc1ccccc1 1084536190 KGBZZBHCWHMTMI-UHFFFAOYSA-N 492.963 2.844 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c2C)C1=O 1310852304 CSXVJASHRJERED-AWEZNQCLSA-N 457.462 2.543 50 10 JFGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)CSc1ccccc1[N+](=O)[O-] 1452910965 LHSFLSFUVYKMSH-UHFFFAOYSA-N 453.480 2.899 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1892523557 MPRBEVRRAQYMIA-GOSISDBHSA-N 464.971 2.806 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@@H](C(F)(F)F)C1 1904643080 RHYQBJHNPQORFN-LLVKDONJSA-N 452.255 2.922 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CBr)C12CC2 2070143474 VREOOTKZSBUNNQ-ACJLOTCBSA-N 473.364 2.590 50 10 JFGE C=CC[C@]1(CBr)CCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2250465367 YGULBYKIYQELMJ-LJQANCHMSA-N 455.374 2.808 50 10 JFGE C[C@H](c1nscc1B(O)O)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257382083 OZNFTFPSSAYRFL-MRXNPFEDSA-N 493.394 2.661 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862166 NMOVALLFYHTIQB-UHFFFAOYSA-N 469.523 2.928 50 10 JFGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2379841818 JUKMTBITCMIISZ-NRFANRHFSA-N 499.427 2.825 50 10 JFGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 10295464 GTPDCPIMGLNPEI-INIZCTEOSA-N 456.568 2.596 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)cc(C)c1 14662500 FXDFFRWQGVUBQN-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1 34848410 DGZJXDJSVRCMBY-FXBPSFAMSA-N 457.534 2.903 50 10 JFGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58988608 ZPBUIPGGQIWVEB-SSDVNMTOSA-N 474.388 2.730 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619453 LAPDSXGLHWLTSQ-NLRVBDNBSA-N 476.489 2.604 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747236 MZNVQRSUYLYDHJ-UHFFFAOYSA-N 465.422 2.634 50 10 JFGE CCc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960911 HFVAFXVNHRJKRD-BWAGFHJFSA-N 463.582 2.935 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)C1 1873777880 VXHNPBYMBSTTBI-NZQKXSOJSA-N 497.555 2.671 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@]1(C)CNC(=O)OC(C)(C)C 2106776162 FIOCBBREFGIRLB-GUYCJALGSA-N 454.431 2.573 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1scc(Br)c1Cl 2246435373 JYTVTKKEEMKYTJ-YFKPBYRVSA-N 452.495 2.870 50 10 JFGE COC(=O)[C@H](CBr)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2369418540 DZXUIKNRBUFILD-QMMMGPOBSA-N 469.966 2.971 50 10 JFGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40649799 RCPRLNMCIQIXOI-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)O[C@@H](C)C2 730649325 CUSYWYMEZOXUSW-QSFXBCCZSA-N 452.507 2.825 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2Cc3ccccc32)cc1 920853869 GVIDTMBZTASNST-ACSPXDACSA-N 455.518 2.797 50 10 JFGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)c1ccccc1 1084075050 QWXCSRFEWZUFMU-HXUWFJFHSA-N 472.545 2.752 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2OCCn2ccnc2)cc1 1623066376 OXZBLSJPVVZGAH-KRWDZBQOSA-N 451.483 2.785 50 10 JFGE CCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC 1772760273 PXFIZLAHVMYPSP-CQSZACIVSA-N 469.567 2.926 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 1865852382 UOJHAFSSCSSMMB-LBPRGKRZSA-N 455.496 2.576 50 10 JFGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NCCOCCI)CC1 1904642343 JTFCSNIXOYJIPR-QHCPKHFHSA-N 460.378 2.935 50 10 JFGE O=C(c1sccc1I)N1CCN(CCOCCBr)CC1 1921065676 BHWWOWRUDVAQOX-UHFFFAOYSA-N 473.174 2.522 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CCBr)C1 2021786542 YGSKZKXFBGUEDO-GASCZTMLSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2106306464 ZCQJKHQCEQUNPH-UHFFFAOYSA-N 454.431 2.717 50 10 JFGE CCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106777290 RHNDLILAJBBMMQ-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2139859307 VBKFSPGBIUOECT-CQSZACIVSA-N 454.431 2.716 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 2179863528 NQNKSZRAEHFLKX-ZRNYENFQSA-N 456.450 2.790 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1CBr 2261001084 XMJSICGXHUYEEA-URKNILKWSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCC(F)(F)C[C@@H]1CN(S(=O)(=O)CI)C2 2303898503 QSFBWNTYHDAQSF-ZWNOBZJWSA-N 480.315 2.723 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 2325238257 JNRFCAWTBNHCEE-UHFFFAOYSA-N 491.913 2.727 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 13978545 FZNJFODFKKJYKT-UHFFFAOYSA-N 481.328 2.634 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2cccc(C)c2)c(Br)c1 13978597 RTICFUGZTCOENF-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14024403 NGOKNUKJRMMYIG-OAHLLOKOSA-N 454.264 2.918 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)c2ccccc21 15093086 LSHJJOXWHIXVNK-UHFFFAOYSA-N 492.513 2.783 50 10 JFGE C/C(=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc(Br)cc1 58991001 SKVBCQNSFJQSDG-SRZZPIQSSA-N 490.343 2.962 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 109646129 CBMXGORHBLCHQS-UHFFFAOYSA-N 475.200 2.601 50 10 JFGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 254482091 FTXDWPWWANNCPL-UHFFFAOYSA-N 452.492 2.936 50 10 JFGE COC(=O)c1ccc(COc2ccccc2C(C)=NNC(=O)Cn2cc([N+](=O)[O-])c(C)n2)o1 254794589 FROFPFBTPPFPRH-UHFFFAOYSA-N 455.427 2.599 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCC(=O)NCc2cccnc2)c(-c2ccccc2)n1 743949112 AGNLVFPVWPMSMN-STZFKDTASA-N 453.506 2.588 50 10 JFGE C=CCCONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1557717759 UJNOUGDDQMTERF-GDNBJRDFSA-N 458.316 2.719 50 10 JFGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860769996 OXISURQZGIBWOW-UHFFFAOYSA-N 478.530 2.668 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757108 NIKWIEWAMNBKHR-UHFFFAOYSA-N 472.501 2.903 50 10 JFGE O=C(NCCCBr)c1c[nH]c2c(F)cc(I)cc2c1=O 1866446979 PYNGJZHVQGDOHK-UHFFFAOYSA-N 453.049 2.787 50 10 JFGE CC(C)(C)OC(=O)NCCCc1ccnc(NS(=O)(=O)CI)c1 1903071797 CXTLJXPVJJKWHA-UHFFFAOYSA-N 455.318 2.673 50 10 JFGE CC(C)(CBr)[C@H]1CCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1950047950 MUDMLQVJNNZUTE-MRXNPFEDSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)c1cccs1 1982720394 SIOGWCIHAQOGNM-CQSZACIVSA-N 457.371 2.790 50 10 JFGE C[C@@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)cc1 2060423874 SGQWPSICPJSFKC-RISCZKNCSA-N 468.534 2.670 50 10 JFGE O=S(=O)(NC[C@@]12CCC[C@H]1CN(Cc1ccccc1)C2)N1CCC(Br)CC1 2162209616 OGHBNZSBTLAPRX-AZUAARDMSA-N 456.450 2.982 50 10 JFGE CO[C@H]1[C@@H](CCl)N(c2ncc(I)cc2Br)C[C@H]1OC 2225080178 FMOQOEHFBTXVAH-MXWKQRLJSA-N 461.525 2.906 50 10 JFGE O=C(NOCCCNC(=O)c1cc(Cl)cc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2255739088 DQJYDYPSWVGFLG-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE Cc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1B(O)O 2267446446 UCIINKGXUFWACJ-UHFFFAOYSA-N 488.349 2.573 50 10 JFGE CN1C[C@H](Br)[C@H](NC(=O)Cc2cc(Br)cc(Br)c2)C1 2277928511 ROTYJQIMDXLOCI-NWDGAFQWSA-N 454.988 2.948 50 10 JFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2296727513 JPZSZHGTNDKVRB-IBGZPJMESA-N 477.502 2.658 50 10 JFGE CC1(C)OCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2364198298 UZNNTLNGGMBPQW-SFHVURJKSA-N 456.992 2.891 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623062 RIPXVMODLQPPRW-KRWDZBQOSA-N 474.355 2.586 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13976706 KVONLNGZMOGMKV-UHFFFAOYSA-N 463.903 2.936 50 10 JFGE CCOc1cc(C=NNC(N)=O)cc(I)c1OC(=O)c1ccc(OC)cc1 254501401 PVXGCHPXQQNBNO-UHFFFAOYSA-N 483.262 2.920 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C)cc1 1084424978 NHVKYALGAGQODG-WXVFVKJXSA-N 470.016 2.982 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 1296876897 BTHNDPBFMNHLSY-UHFFFAOYSA-N 454.430 2.591 50 10 JFGE CCCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720318 JOONOYFNQQNRPV-UHFFFAOYSA-N 487.354 2.855 50 10 JFGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccc(Cl)cc1 1860770822 YMMVKTZJWBGUPG-UHFFFAOYSA-N 474.951 2.788 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2)C1 1872962411 STYAJLLYCLGMJC-LEWJYISDSA-N 490.608 2.807 50 10 JFGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2062183808 QFIXFRLDIQARKL-GPMSIDNRSA-N 475.380 2.834 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@]1(C)CCl 2108231346 PIYVZKVOYOIJGV-DLBZAZTESA-N 452.882 2.679 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185505867 JVLXHLINGCRZRI-MSOLQXFVSA-N 455.374 2.839 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCC(C)(C)OCCBr 2338689974 AYOUYMXHUUWCJH-UHFFFAOYSA-N 461.980 2.865 50 10 JFGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623600 KBSIVFQQWDIGAN-APWZRJJASA-N 468.579 2.548 50 10 JFGE C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2c(c1)OCO2 58989994 QIWOUNVOLAAFCZ-JJFYIABZSA-N 489.355 2.783 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccnc1 58990147 JFGVRPXKHMIBIZ-SSDVNMTOSA-N 476.360 2.545 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1)c1ccc(Br)cc1 1084188300 BOHOZYKYEZITCK-UHFFFAOYSA-N 468.381 2.689 50 10 JFGE C[C@@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NNC(=O)Nc3cccc(Cl)c3)C(=O)N21 1088659708 NIVKNIKLEAWEAU-CQSZACIVSA-N 494.939 2.841 50 10 JFGE C=C/C=C\CCNC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1248370663 GEZCUFIRYQBWRW-WAYWQWQTSA-N 458.540 2.962 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c2C)C1=O 1310852305 CSXVJASHRJERED-CQSZACIVSA-N 457.462 2.543 50 10 JFGE COc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 1772719832 ACKMTARJRPYNKZ-UHFFFAOYSA-N 456.930 2.992 50 10 JFGE CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770560 NLLIZRPIFWNCJO-UHFFFAOYSA-N 474.608 2.644 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770957 DGOPONCAWIRFAX-NWDGAFQWSA-N 455.496 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@H](Br)C1 1942094752 IWSNZZUMELHMGL-GJZGRUSLSA-N 457.390 2.936 50 10 JFGE C[C@@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C1CC1 1942792982 WLQOPSQMLHYEPB-IBGZPJMESA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1Cc2ccc(CNS(=O)(=O)CI)cc2C1 1983328617 ZOJDNZYDDXEPKT-UHFFFAOYSA-N 452.314 2.749 50 10 JFGE C[C@@H](Br)C1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046028554 JJXLYVASRIPBSU-BFUOFWGJSA-N 475.380 2.836 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@H](CBr)OCC12CC2 2183975157 VJXIDCYNLDXVPW-JTQLQIEISA-N 452.086 2.765 50 10 JFGE ClC[C@@H]1CO[C@@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2265015909 HCQNJBHDLLWZSF-FBIMIBRVSA-N 459.509 2.660 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 2313862656 YLAGERDRBCMWFD-UHFFFAOYSA-N 450.476 2.862 50 10 JFGE COc1cc(Br)cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)c1OC 2323098143 FXJZPJUQQHZZNT-UHFFFAOYSA-N 459.300 2.786 50 10 JFGE COc1ccc(CN2C(=O)/C(=C/NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 38172297 LEQJQBVXGHUQGV-JRXNCPAPSA-N 485.496 2.680 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccccc1Br 58987228 DETOMWXWQNFOGS-SSDVNMTOSA-N 491.371 2.855 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600387 LUWKESZMOQURNQ-HZHRSRAPSA-N 465.422 2.634 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 254384555 BETTZWZQNSCUDW-UHFFFAOYSA-N 452.511 2.855 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 1083994801 FKLFDZCDKVPQBX-UHFFFAOYSA-N 496.545 2.987 50 10 JFGE C=CCOc1cccc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1 1084024355 DGIZKBDJIQMVPN-UHFFFAOYSA-N 450.520 2.992 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c(OC)c1 1084041509 XETRTEQMUXFJLK-UHFFFAOYSA-N 491.371 2.681 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cc[nH]n2)nnc1-c1ccc(Cl)cc1Cl 1166386362 UOVXMGJFICDVPM-UHFFFAOYSA-N 452.327 2.714 50 10 JFGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1993397754 RPHZOPRQLFYABR-CJNGLKHVSA-N 452.358 2.572 50 10 JFGE CC1(C)[C@@H](Br)CC[C@H]1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2026149447 WAGYFONKIVSJKP-JKSUJKDBSA-N 457.390 2.934 50 10 JFGE C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1S(=O)(=O)N1CCC(Br)CC1 2106778227 BGQHMYWSHWOPPN-DZGCQCFKSA-N 454.431 2.858 50 10 JFGE N#CC(=Cc1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 2297382292 BYRHRMJKAPEIOT-UHFFFAOYSA-N 469.519 2.870 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CC[C@H]1CBr 2301112174 YZQTYGRGKNSZON-YOEHRIQHSA-N 457.390 2.936 50 10 JFGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2302577963 UXVBVBFBAGZSEB-QAPCUYQASA-N 463.369 2.692 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1OC 2313617165 KYBDDKSEXIVYJL-UHFFFAOYSA-N 490.969 2.811 50 10 JFGE CC(C)(CI)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 2326671994 INEWWEUQHDUWQY-CQSZACIVSA-N 467.392 2.801 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 14657352 JWPHIKZTLAXXGK-INIZCTEOSA-N 467.547 2.968 50 10 JFGE COc1cccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 20923688 JUMIGXREYQFWOI-FSJBWODESA-N 473.946 2.856 50 10 JFGE COC1=C/C(=C\NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)C(=O)C=C1 34107028 KKCDLVGICRCSFC-NBDDXLDYSA-N 458.518 2.697 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 40658528 LEARQVDGIPDJFR-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc(O)cc2O)NC(=S)N1 59385038 JJKVIBHBUGJQJM-AAWXNRKFSA-N 461.341 2.803 50 10 JFGE C=CCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214437040 QGUNIQCBCIZWOI-ZHZULCJRSA-N 468.506 2.822 50 10 JFGE N#C/C(=C/NCCc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216951107 CCZXXLZQTXMTRA-OWBHPGMISA-N 450.314 2.874 50 10 JFGE COc1cc(C(C)=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(C)cc1 254747179 UPLXMXFVFQHJAI-UHFFFAOYSA-N 476.497 2.591 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC[C@H]1CBr 703972448 DEWSLQKAUUDELI-GJZGRUSLSA-N 457.390 2.793 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 1873794379 GOJKJWKOXFJUOI-KIYQXGEKSA-N 481.141 2.986 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCCC2)C[C@@H]1CBr 1912787697 WITUQAJTNFYUGA-CQSZACIVSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(S(=O)(=O)CI)C1 2007723234 PVOPKZTVRPGRGE-LBPRGKRZSA-N 466.341 2.912 50 10 JFGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1nn(C)cc1Br 2008836601 LVYAEZNWNIOCSM-CYBMUJFWSA-N 481.210 2.783 50 10 JFGE O=C(NCCOCCCI)c1ccc(I)c(O)c1 2042202460 BATHRHPXWFMYME-UHFFFAOYSA-N 475.064 2.568 50 10 JFGE C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2106780190 VYYXGTXFKNFULA-UONOGXRCSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](NS(=O)(=O)N2CCC(Br)CC2)(C(F)(F)F)C1 2162590104 XYUUMCFZKPOLOL-AWEZNQCLSA-N 480.347 2.622 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179829302 ZOWSDVRJSHJIQH-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2179868200 HGZMFPWUQDWHBG-AEFFLSMTSA-N 453.406 2.980 50 10 JFGE OB(O)c1cc(Nc2cc(Br)ccc2I)ncc1Cl 2277609785 LXGCFOVQKVLPTF-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315492439 YTUOPYBJMAKXKZ-KEYYUXOJSA-N 469.401 2.886 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(F)c(Br)cc1Cl 2360922244 XGKKHBWMVLIULR-UHFFFAOYSA-N 451.539 2.781 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCCl)C1CCOCC1 2381895634 AEORVWMSXJKKEI-UHFFFAOYSA-N 456.992 2.893 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011444 IQRRBMUTFDKDSJ-UHFFFAOYSA-N 498.388 2.960 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 16271206 AKEFSPMHUXGWFN-AWEZNQCLSA-N 455.312 2.755 50 10 JFGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C2CCC2)n1-c1ccccc1 59878069 NSMTWDNLCLIBKY-UHFFFAOYSA-N 466.567 2.928 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1O 254746935 NRXBRSOWNJGFOI-UHFFFAOYSA-N 484.490 2.655 50 10 JFGE COc1cc(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c1O 725395758 LTTFAEREFPUAON-OAHLLOKOSA-N 454.264 2.969 50 10 JFGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)c1ccccc1O 1772718723 MSHDSWOUUATAEI-ZGKGBVRBSA-N 483.502 2.668 50 10 JFGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NNC(=O)COc3ccccc3)c(C)c21 1772745538 AZXDDKOGLULWOJ-UHFFFAOYSA-N 490.516 2.907 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C2CCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858957508 CUUNKCZYJINHRL-UHFFFAOYSA-N 451.432 2.628 50 10 JFGE CCN(CC)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962117 PYLJCRFVGKFNTG-VQTJNVASSA-N 478.597 2.663 50 10 JFGE CC[C@H](Br)CCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531953 GBSFECHWIMPYGS-SCLBCKFNSA-N 463.369 2.884 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058375185 YNIGWTMGBGVHBN-QOFYIIDASA-N 473.364 2.588 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2317613326 MSGJSCUXAFFWLT-HXUWFJFHSA-N 480.276 2.900 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(Cl)cc1I 2317777850 JCDBCOGSFQHOPM-VIFPVBQESA-N 493.466 2.651 50 10 JFGE CCOc1cc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)ccc1OC 2323172711 KFSOKPNHYWCPGI-KRWDZBQOSA-N 455.496 2.674 50 10 JFGE O=C1CN(Cc2ccc(Cl)c(I)c2)CCN1CCBr 2337227565 MMMUMTOTCYGZDS-UHFFFAOYSA-N 457.537 2.984 50 10 JFGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2c(C)cc(C)cc2C)nnn1-c1nonc1N 3640565 GWADGMFDHPLXTB-WYMPLXKRSA-N 453.551 2.544 50 10 JFGE COc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)cc(OC)c1Br 16271122 SBFJYLVKGOGJRV-UHFFFAOYSA-N 461.110 2.642 50 10 JFGE COc1ccc(C=NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1CSC1=NCCS1 254840768 HNUMXCOYXLRGHT-UHFFFAOYSA-N 462.557 2.903 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccc(C(=O)O)cc2)nnc1-c1ccc(OC)c(OC)c1 254867883 KYAFKBINZLUXBL-UHFFFAOYSA-N 469.523 2.923 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)cc1 1858664676 OFSNJPAXJVGBMH-SFHVURJKSA-N 460.537 2.565 50 10 JFGE COc1ccc(-c2nn(C)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709576 DCNSTUVZLVBBSQ-LJQANCHMSA-N 461.434 2.993 50 10 JFGE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)C[C@H]1C[C@@H](Br)C1 1910166422 GVOJKBJICZRGCW-QLFBSQMISA-N 462.362 2.733 50 10 JFGE CC1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1942098544 OGJNPHAEESPXJR-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2068383878 KUCFJWQJKIAPAP-WIBUTAKZSA-N 469.401 2.936 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106782288 PKPIAKAYLXJDEJ-ZFWWWQNUSA-N 454.431 2.858 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2140563293 HBFSCIBJPJPJKF-WXTAPIANSA-N 486.377 2.936 50 10 JFGE O=C(NOCCCNS(=O)(=O)N1CC(Cl)C1)OCC1c2ccccc2-c2ccccc21 2241331855 OGVBUSXJVQFPDG-UHFFFAOYSA-N 465.959 2.604 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2256634772 ARUYHELIRPKQCY-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)c1C 2297429800 FIAZASBXJBNZGG-UHFFFAOYSA-N 457.552 2.825 50 10 JFGE COc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313568386 VKWRMHYWDHNEOB-UHFFFAOYSA-N 482.059 2.900 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325306280 UCRJXZWXQXSZCY-JQFCIGGWSA-N 469.401 2.886 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 10294050 RARWQSJHZRLMFX-UHFFFAOYSA-N 490.541 2.983 50 10 JFGE COc1cc2ncn(CCCC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)c(=O)c2cc1OC 10784983 IZXVYBYCVKCJJO-UHFFFAOYSA-N 466.538 2.953 50 10 JFGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(Br)ccc1OC)S(C)(=O)=O 15985691 XPMKMJULJGBIEG-UHFFFAOYSA-N 484.372 2.773 50 10 JFGE CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1 100787277 MWJIBMXGCBPVOC-OQLLNIDSSA-N 471.263 2.992 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c(OC)c1 252626885 RHOOVKHFXWXQJD-UHFFFAOYSA-N 482.537 2.620 50 10 JFGE COc1cc(C=NNC(=O)CN2CCOCC2)c(Br)cc1OCc1ccccc1 1084397077 XIUBXJVMKGYLST-UHFFFAOYSA-N 462.344 2.819 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccc(CN(CC)CC)o2)(c2ccccc2)CC1 1542362345 UATQGLWBLOEKSW-UHFFFAOYSA-N 452.555 2.629 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H](CBr)C1CCC1 1942314931 FZRXFBGTUVEXCK-HNNXBMFYSA-N 457.390 2.793 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2049526629 TVQSKFZWGLHXRV-XVDXERDNSA-N 475.380 2.741 50 10 JFGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2107386526 AVGANZQQNMILJN-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14012711 OZDYHDNAGRLSFJ-UHFFFAOYSA-N 452.330 2.562 50 10 JFGE O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1I 32485090 DXCIHMHAUMHOHW-AWEZNQCLSA-N 458.639 2.546 50 10 JFGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1OCC 216947993 OATWPGCEMDDWDH-ICFOKQHNSA-N 459.524 2.909 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 703994731 WPCDAICQSSVMIJ-XJKSGUPXSA-N 457.390 2.744 50 10 JFGE CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)s1 727350638 RWPTVDXAQQVZBV-UHFFFAOYSA-N 478.527 2.751 50 10 JFGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 1627505043 OEJMZKUQIIVVTI-MRXNPFEDSA-N 458.968 2.606 50 10 JFGE CCC[C@@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541784 IWCWQVOAIDOXDO-MSOLQXFVSA-N 463.369 2.884 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)c(Br)s1 2057674423 IBDHOQDQOLTFOT-RITPCOANSA-N 482.013 2.563 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)C[C@@H]1c1ccccc1 2065729118 QZMCSHFWYUGDBO-HUUCEWRRSA-N 480.368 2.949 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201762319 GBPZQCSNTQOBAE-IINYFYTJSA-N 452.086 2.765 50 10 JFGE COc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268607926 GEBAZZCSVPRMAQ-RUZDIDTESA-N 488.349 2.877 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2270094124 DWSGLQQMOWFMII-RHSMWYFYSA-N 455.415 2.592 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)[C@H](Br)C1 2301025635 LJMDSYOZDPRERK-RFZPGFLSSA-N 494.807 2.928 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1C[C@@H]1CBr 2301116329 DJGDLPRVVWWXBF-HUUCEWRRSA-N 457.390 2.793 50 10 JFGE NNC(=O)c1cc(CSc2cc(I)ccc2Br)on1 2338331150 PTRIVJJLNVFGHY-UHFFFAOYSA-N 454.087 2.938 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14027550 MBWWQKUMFRJAKS-UHFFFAOYSA-N 457.552 2.875 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14033996 PSEVHSLKFQPEKC-GFCCVEGCSA-N 466.288 2.913 50 10 JFGE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NNC(=O)c2ccccc2OC)C1=O 33921421 KRFAZVNTYMMDOG-QGOAFFKASA-N 471.560 2.756 50 10 JFGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 100239134 MKPMNZFVMWYSAP-BAUVAQCVSA-N 496.589 2.682 50 10 JFGE CC(=NNC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc2c(c1)OCCO2 252627495 RVOJYYHWQFXVJS-UHFFFAOYSA-N 482.356 2.527 50 10 JFGE COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)C(=NNC(=O)c2ccc(O)cc2)c2ccccc21 254892520 YQJZHHRXGHBNNE-XMMPIXPASA-N 473.441 2.759 50 10 JFGE CN(CC(C)(C)CBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544313 ZCYFSZOGNQKQHT-GOSISDBHSA-N 463.369 2.694 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2133337835 SHSKGWSWTMBAPB-HUUCEWRRSA-N 454.431 2.906 50 10 JFGE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCC(Br)CC1 2289798642 YTVDUTTZHMVXGC-AWEZNQCLSA-N 450.374 2.792 50 10 JFGE CC(=O)OCCN1C(=O)C(=Cc2c(C)nn(-c3ccc(Cl)cc3)c2O)C(C)=C(C#N)C1=O 2297531994 CGIUJLWPCGOGBN-UHFFFAOYSA-N 454.870 2.695 50 10 JFGE N#Cc1cc(B(O)O)ccc1Sc1cc(I)ccc1Br 2364733614 GKQAVBOEUMGUBS-UHFFFAOYSA-N 459.899 2.756 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)Cc1ccc(Cl)cc1 14002229 AFLQQHKNSWNGQM-UHFFFAOYSA-N 456.749 2.746 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 97657697 NQJKAYDMXLXPAE-YBEGLDIGSA-N 486.322 2.971 50 10 JFGE N#C/C(=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1 102988940 IBVVQUYKAUUZHF-XLNRJJMWSA-N 494.555 2.833 50 10 JFGE COC1=CC(Br)=C/C(=C/NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)C1=O 135974853 CAQQOWRTPHUKCV-UVTDQMKNSA-N 490.383 2.779 50 10 JFGE COc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OC(C)=O 254856205 SEVUQHFJDBQPBF-UHFFFAOYSA-N 451.439 2.846 50 10 JFGE C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)cc2C1 749160629 BJTRABLFPFAKBQ-TZMCWYRMSA-N 453.611 2.549 50 10 JFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 1084215331 PLFCGMRFNOMKBV-UHFFFAOYSA-N 499.520 2.723 50 10 JFGE C=CC[C@@]1(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1624842727 PJTRCYLCIIRPEN-NRFANRHFSA-N 452.577 2.726 50 10 JFGE CC[C@@H](Cl)C(=O)Nc1c(I)ncnc1I 1974850679 CKUYQBFOZIHFAO-SCSAIBSYSA-N 451.433 2.642 50 10 JFGE CC(C)C[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541874 JCWPNMCWXJCYAK-SCLBCKFNSA-N 463.369 2.740 50 10 JFGE CC(C)(C)OC(=O)N1CCOc2cc(NS(=O)(=O)CI)ccc2C1 2007723663 RGCMWRZPUFSOIE-UHFFFAOYSA-N 468.313 2.950 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2039482662 KXZTVUDZMXQPJF-KEYYUXOJSA-N 469.401 2.886 50 10 JFGE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(CBr)cc2)C1 2162586999 OZIXIJCXEVSEQM-UHFFFAOYSA-N 463.394 2.932 50 10 JFGE COc1ccc2c(c1)c(C=NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c(C(=O)O)n2C 2321721586 PHQGNIFAHBNULM-AWEZNQCLSA-N 458.515 2.982 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2 2206245 XSZLWPFQTJUZNM-QGZVFWFLSA-N 460.284 2.513 50 10 JFGE COc1cc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc(OC)c1OC 14016860 YGIHPCNRLNKNSU-UHFFFAOYSA-N 458.511 2.820 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 16271268 PPJNUSSKNBDLLZ-UHFFFAOYSA-N 472.343 2.689 50 10 JFGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 33851520 QXNSHMPLCYDLEL-QZFKAFNDSA-N 498.948 2.659 50 10 JFGE CCCc1cc2c(c(=O)n1CCOC)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 40569461 AXXSUAKAZZWWEM-FQEVSTJZSA-N 455.511 2.691 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 709236761 FBJHZMMXKGCPMY-KGLIPLIRSA-N 457.390 2.601 50 10 JFGE COc1ccc(C(=O)NNC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 730581630 OVMTVYCAKJSYEV-UHFFFAOYSA-N 475.977 2.514 50 10 JFGE COCc1cc(C)nc(OCC(=O)NN=CCc2cc(Br)cc(OC)c2O)c1C#N 1084422577 LVLRRDGUFKMMBY-UHFFFAOYSA-N 477.315 2.608 50 10 JFGE O=S(=O)(Nc1cnc(I)cn1)c1ccc(CBr)cc1 1260504221 VHWCDYDSCGXSEQ-UHFFFAOYSA-N 454.087 2.777 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]1(C)CCBr 2025227840 JQLHWBNUQDZCRS-MSOLQXFVSA-N 461.353 2.590 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046023869 WCAZKQSRZOFYFY-TYILLQQXSA-N 475.380 2.836 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)NC[C@@H]2C[C@@H]2Br)c(Br)c1 2076166041 VSKOCGDIPPACAQ-FSPLSTOPSA-N 462.989 2.856 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2269539376 AAPALOTWAMKGMZ-SANMLTNESA-N 486.377 2.936 50 10 JFGE OB(O)c1cc(Nc2cc(I)ccc2Br)ncc1Cl 2277618849 RVNRKMWUTMNMDF-UHFFFAOYSA-N 453.270 2.526 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862377 SAVORQJSAAXFRL-UHFFFAOYSA-N 455.496 2.682 50 10 JFGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 13986908 OZKYFASDKCGTFW-UHFFFAOYSA-N 486.775 2.755 50 10 JFGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 15243375 HRDNTBQUMUPSBM-UHFFFAOYSA-N 461.323 2.949 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(Br)c1 58987112 OIMXAWWJOJNIQY-WSDLNYQXSA-N 459.373 2.782 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1 97676053 PIRKLTUQPDOVEP-GDNBJRDFSA-N 483.594 2.870 50 10 JFGE COc1ccc(CC(=O)N/N=C(\C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 103593715 XTBFRXFBZBFYHM-JVWAILMASA-N 465.510 2.803 50 10 JFGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 216978121 QKKDOEWCZPWRBB-PYCFMQQDSA-N 460.559 2.779 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCOc3ccccc3C2)cc1 920853535 BKRQEIDWDBJKRB-XSFVSMFZSA-N 471.517 2.762 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746516 CYQOGGPDLHCMLO-UHFFFAOYSA-N 478.509 2.912 50 10 JFGE Cn1c(SCCC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867073048 LJGBPUYTGFIHCQ-GOSISDBHSA-N 482.591 2.653 50 10 JFGE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)sc1Cl 1884980324 VFXRRMDJXPDOFF-RFZPGFLSSA-N 454.549 2.841 50 10 JFGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC[C@H]1C[C@@H](S(C)(=O)=O)C1 1905176916 RRTBTHHZUPLKIB-ZOWXZIJZSA-N 461.362 2.545 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084888803 KGLNEKLJIGYSQG-TYILLQQXSA-N 475.380 2.694 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCCl)O1 2364212759 AHTVMMJCRDHPLJ-DLBZAZTESA-N 456.992 2.891 50 10 JFGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 33678752 VLHHACAJABZUEI-CHHVJCJISA-N 452.379 2.940 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 243546864 OIAWKHFSULEVAF-ZEQRLZLVSA-N 472.655 2.591 50 10 JFGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CCCC3 1860771918 LQENRFIHUIIBQP-IOCXFXADSA-N 473.536 2.728 50 10 JFGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2111237325 VYRRNYMDJDIFHN-OAHLLOKOSA-N 487.416 2.657 50 10 JFGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1)N1CCC(Br)CC1 2127806350 PAGDJKDPAAIDTG-INIZCTEOSA-N 452.365 2.590 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2134139101 SSYZJGHCQZXSLC-YIZTYCJRSA-N 491.354 2.679 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(B(O)O)c(F)c1F 2257378515 GUHDMKIWNGOTIB-UHFFFAOYSA-N 480.276 2.902 50 10 JFGE CN([C@@H](CBr)Cc1ccccc1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2278972645 UYTWJXLSIPRABF-QGZVFWFLSA-N 479.396 2.941 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C(CBr)[C@@H]2C1 2316825052 QGBCJRUCECQFQV-ROUUACIJSA-N 469.401 2.746 50 10 JFGE CN1CCC[C@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338712198 WPXQKDCLJFDSDL-RQJHMYQMSA-N 480.020 2.805 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1I 12502939 ZEGBEDNNMKWBNW-UHFFFAOYSA-N 483.331 2.568 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(OC)c1 14655776 WIVKHRMKXPHOKK-UHFFFAOYSA-N 482.356 2.814 50 10 JFGE Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(Br)cc1Cl 28780048 HGULNQJKQBSFJI-UHFFFAOYSA-N 471.558 2.827 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39918727 ASCATBVAOUIFHK-MHZLTWQESA-N 468.513 2.722 50 10 JFGE O=C(O)COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889599 YAKYYSYILLOHCF-NBZOHKLQSA-N 482.274 2.719 50 10 JFGE CCn1nc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 727365659 WEZWZJCRTJPWDJ-UHFFFAOYSA-N 476.562 2.704 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc(F)ccc1Br 728510276 VSOGPKOKQFRMFT-UHFFFAOYSA-N 482.125 2.983 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 1083915643 VAHWBWFWNHRZBV-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE CCOc1cc(OCC)cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769820 IWWJMSPROXCTFP-CQSZACIVSA-N 484.578 2.841 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1OC 2040475206 CHOVIHPORBGIKL-UHFFFAOYSA-N 470.503 2.745 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CCCCI)C2 2248245485 IZSWLVKUKDSRSV-KRWDZBQOSA-N 454.349 2.540 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 9229826 YLAGERDRBCMWFD-KPKJPENVSA-N 450.476 2.862 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OCCOc2ccccc2)cc1 13629771 PBFPVGJNPCGWCZ-IBGZPJMESA-N 463.490 2.547 50 10 JFGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 14039698 HHFCVXSYJNRESQ-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 17201458 QPTAJBPEYAGLAK-LFIBNONCSA-N 474.495 2.786 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)COc2ccccc2Cl)cc1 96545137 FDDNRZDKBFPHSE-KAMYIIQDSA-N 465.959 2.610 50 10 JFGE COC(=O)[C@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 300173245 NEQCYVUMRZMLCI-SECBINFHSA-N 493.999 2.735 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C(C)(C)C1 704003913 UQJVFOYOSIOZMW-HNNXBMFYSA-N 457.390 2.744 50 10 JFGE CN(CCOc1cccc(CNC(=O)NNC(=O)c2cccc3cccnc23)c1)C1CCOCC1 728069273 YPYFAJVGUIRWPA-UHFFFAOYSA-N 477.565 2.869 50 10 JFGE O=C(NNC(=O)C1(c2ccccc2F)CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 920446868 BNWIRBPEQMWKBO-UHFFFAOYSA-N 459.543 2.883 50 10 JFGE COc1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc(OC)c1OC 1860771251 OGZCYNFRNVCPET-UHFFFAOYSA-N 494.529 2.612 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866582330 SFQIFXXNNDWSHX-YLJYHZDGSA-N 457.577 2.751 50 10 JFGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023035349 IMVAMICPLUCKPI-QITLCBANSA-N 463.369 2.740 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2070000170 HWLHFNSCZJSBSF-YESZJQIVSA-N 469.401 2.886 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@@H]1C[C@H]1Br 2076165287 OOFOWVRXYPGQTB-CAHLUQPWSA-N 462.989 2.856 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)CN1C(=O)OC(C)(C)C 2106777355 RZOBJWBFECNCPG-ZDUSSCGKSA-N 454.431 2.810 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCl)CCSCC1 2108228192 NVOHRZJKOIYVTF-SFHVURJKSA-N 462.996 2.825 50 10 JFGE CN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)S(=O)(=O)N1CCC(Br)CC1 2165641253 GAFDCFAGUDGQJZ-UHFFFAOYSA-N 463.398 2.965 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179810341 DKQBLEZJIAPQRZ-HXUWFJFHSA-N 456.450 2.936 50 10 JFGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2257387265 MWAUOGLHBMDQDG-KRWDZBQOSA-N 472.350 2.861 50 10 JFGE COc1cc2c(cc1OC)C(=CC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 2297468446 VTVKTKKZFZIUAM-UHFFFAOYSA-N 452.467 2.597 50 10 JFGE COc1cccc(NC(=O)C(C#N)=CN=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 2297471444 NKNOCDMMDKGEQH-LEWJYISDSA-N 498.586 2.825 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC 12502623 VJWMKHIDWXKISW-UHFFFAOYSA-N 469.519 2.580 50 10 JFGE O=C(CCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1 12502720 KLFHJIZGWRZTSD-UHFFFAOYSA-N 474.586 2.937 50 10 JFGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 34990556 GKXGNCFHIWJUAD-BMRADRMJSA-N 454.490 2.978 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccco2)CCC3)cc1 101606621 GDTGTXAMAFKJQU-LFVJCYFKSA-N 450.451 2.735 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1OC 1084054634 BOAPZEFUSRMMBD-UHFFFAOYSA-N 467.547 2.872 50 10 JFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)cc1 1772749788 ZTQLZFAYWSJEDM-UHFFFAOYSA-N 484.534 2.892 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1C 1860770597 OWBFCFKSADIUSX-WFASDCNBSA-N 474.608 2.770 50 10 JFGE CC(C)(C)N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533212 PNGIYKSBIKPPJF-GOSISDBHSA-N 463.369 2.836 50 10 JFGE C=CCC[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2019480194 JBUQCDGLKRMVGS-UGSOOPFHSA-N 461.353 2.660 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2108233234 FMCIVQCBEPVGGQ-AUUYWEPGSA-N 487.391 2.838 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 2108234206 MYMNZLZYPRRYTL-FDRFZEDHSA-N 487.391 2.836 50 10 JFGE O=C(Cc1ccccc1I)N[C@@H]1CCCN(CCBr)C1 2143871989 ASZBLQBGQLTTLW-CYBMUJFWSA-N 451.146 2.809 50 10 JFGE CC(C)(C)OC(=O)N1CC([C@@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163053127 KSNBKWWERWUBCG-CQSZACIVSA-N 466.442 2.669 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC2(CCN(Cc3ccccc3)C2)CC1 2179870543 NDRKEGSVJWYLKD-UHFFFAOYSA-N 453.406 2.981 50 10 JFGE OB(O)c1ccnc(Nc2cc(Br)c(Br)c(Br)c2)c1F 2240322263 IHVWDSRPQFOINQ-UHFFFAOYSA-N 468.711 2.932 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC(C)(C)[C@H]1CBr 2267742752 YHPZYCHMOMIICD-MRXNPFEDSA-N 487.416 2.513 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2283937622 WRRPNGQGMCJQJP-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1cccc2ccccc12 2313862075 MMAXLFRGKNGVQK-UHFFFAOYSA-N 450.476 2.862 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(Cc3ccc(C)cc3)c2=O)cc([N+](=O)[O-])c1OC 2323648267 NBPSGGLYQOQELU-UHFFFAOYSA-N 450.451 2.894 50 10 JFGE CO[C@@H]1C[C@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338690137 CXHDVGSAOSAVMS-RNFRBKRXSA-N 459.964 2.570 50 10 JFGE C[P@@]1(=O)C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](Cl)C1 2338846653 FHHBZAFCAHMTTE-VUFWKLLHSA-N 460.920 2.745 50 10 JFGE Cn1ncc(C(=O)N2CC[C@H](Br)C[C@@H]2C(F)(F)F)c1I 2361453500 XOANZPTXBRTBHH-POYBYMJQSA-N 466.039 2.955 50 10 JFGE COc1ccc(C)cc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217247121 PIZXVRGPLCWPEC-MNDPQUGUSA-N 454.552 2.665 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1)O[C@H](C)C2 730649323 CUSYWYMEZOXUSW-MOXGXCLJSA-N 452.507 2.825 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(OC)cc2I)c1 1303280939 UMAMTARELXJWOE-UHFFFAOYSA-N 451.289 2.913 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)Nc2ccccc2C)cc1 1556391964 AKSHXIQQCNTJML-HXUWFJFHSA-N 458.540 2.594 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)c(F)c(F)c3)CC2)cc1 1596727938 SJZJGNLTVOXRLK-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE O=C(/C=C/c1ccco1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858958359 AREICEVOVQGFEV-FMIVXFBMSA-N 471.447 2.995 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CCBr)C(F)(F)F 1918527649 GHSWAWSEZZKVAQ-CYBMUJFWSA-N 471.295 2.698 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)CC(F)(F)F 1942095952 YEJJBGXGTIMORN-UHFFFAOYSA-N 471.295 2.652 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](CN(C2CC2)S(=O)(=O)CI)C1 1983326568 BVTZKAHFYHCSOJ-LBPRGKRZSA-N 458.362 2.820 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2108243027 IAAYABUVQPYJFN-AUUYWEPGSA-N 487.391 2.980 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2248419491 BPBPKEZDKNBNSJ-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCSC[C@@H]1CBr 2316833935 IUXJKUZNZOVBKQ-LURJTMIESA-N 462.005 2.898 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016399 ZJGUOWFNDDRISS-UHFFFAOYSA-N 485.606 2.996 50 10 JFGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)Cc1ccccc1 33533030 ZDVROWMMNFLQBH-IKRTZVAJSA-N 494.573 2.952 50 10 JFGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1 254481650 DZXSWYSPKNTVCG-UHFFFAOYSA-N 454.351 2.844 50 10 JFGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3c(Cl)cccc3Cl)CC2)cc1 727843560 DQLCUSDXZHTMEA-UHFFFAOYSA-N 466.369 2.768 50 10 JFGE COc1cccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1OC 1084352244 CUGFEQOFUCUQAF-UHFFFAOYSA-N 467.547 2.872 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)C1 1860771402 VFOZRZCWSLCPBD-LSDHHAIUSA-N 466.563 2.954 50 10 JFGE COc1ccccc1-c1nc(CC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671805 SIFWGFFCORQITA-IBGZPJMESA-N 466.519 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCC[C@H]1CBr 1942097496 IQZMBKNIDXVMIP-WMLDXEAASA-N 457.390 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCBr)CC1 1942472170 WYFPMBJHKYMLLH-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(C1CC1)S(=O)(=O)CI 1983327958 RUKMVOSVFRAPLQ-CYBMUJFWSA-N 458.362 2.963 50 10 JFGE Cc1nc(I)c(NC(=O)[C@@H](C)CCl)c(I)n1 1984094067 RJLLWOBZMGHTBH-BYPYZUCNSA-N 465.460 2.808 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(O)c1 2178907588 RCJBXZUOELNVCH-WDEREUQCSA-N 453.118 2.536 50 10 JFGE O=C(N[C@@H]1COC2(CCC2)[C@@H]1Br)c1ccc(I)c(O)c1 2206486524 RPQKONFZZUMNQC-ZYHUDNBSSA-N 452.086 2.812 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 2234724524 ARCDPQFEHHGLMR-HDICACEKSA-N 453.406 2.706 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2257377850 FFECHXFDDSFETQ-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(C)cc(B(O)O)c1 2301661952 LDAFSVBKDXIWED-XMMPIXPASA-N 458.323 2.931 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 2316824463 MFHRLLGIQSEGRF-FOIQADDNSA-N 469.401 2.890 50 10 JFGE NNC(=O)c1csc(COCc2cc(I)ccc2Br)n1 2367280026 OCEDABGBRVUKJL-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c1 12570787 BQPBJZDCOVYBDN-UHFFFAOYSA-N 467.345 2.713 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCOc1ccccc1 13623203 AVFSPZRLQXWZQX-OAQYLSRUSA-N 473.529 2.954 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40657803 HMKCMKCACJLYMC-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] 40659518 MGRHOBIBQVHSBP-UHFFFAOYSA-N 452.427 2.827 50 10 JFGE Cc1csc(CC(=O)NNC(=O)COC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)n1 728720248 COEAHIGHERUWNW-NVMNQCDNSA-N 495.536 2.838 50 10 JFGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084226763 MBJDGEYPLGXVRH-KRWDZBQOSA-N 479.327 2.973 50 10 JFGE CS(=O)(=O)Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2ccccc12 1318208233 YULOIEDNOOSRET-UHFFFAOYSA-N 451.298 2.815 50 10 JFGE CC(C)(C)OC(=O)N1CCCCN(S(=O)(=O)CI)CC(F)(F)C1 1983326560 BTIZKEQLESHEET-UHFFFAOYSA-N 468.304 2.677 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018110307 SKAJANSFGMZAPZ-XJKSGUPXSA-N 457.390 2.886 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2025368340 PYCPQDFNWJKGPD-CABCVRRESA-N 457.390 2.746 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)N[C@H]2C[C@@H](Br)C2)c(Br)c1 2063143585 FKADLSXIEYCLQN-IAQIWYKVSA-N 462.989 2.998 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(I)c(O)c1 2178907585 RCJBXZUOELNVCH-GHMZBOCLSA-N 453.118 2.536 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)CBr)CCN(C(=O)OC(C)(C)C)CC1 2209282473 DIWNUODEULWVHM-UHFFFAOYSA-N 450.374 2.698 50 10 JFGE Cc1sc(CNC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)c(B(O)O)c1C 2256597241 DZATUKCZHVKXTF-UHFFFAOYSA-N 460.405 2.878 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2256629261 RREPBZITCWDNKF-UPCLLVRISA-N 492.406 2.998 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268612137 FFJVLCTZQJSZAM-KRWDZBQOSA-N 476.766 2.767 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2269544983 KRJOTBMGJLEUFW-UHFFFAOYSA-N 484.361 2.568 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CC(C)(C)CCl 2364336887 STAZNVREUJXGRB-UHFFFAOYSA-N 451.612 2.972 50 10 JFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 58987584 LAXUHGQMYSKPOW-YDZHTSKRSA-N 485.526 2.607 50 10 JFGE COc1cccc(-c2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2-c2ccccc2)c1 59807500 ODDIVGCWOJRDMJ-UHFFFAOYSA-N 451.430 2.745 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 254381533 SLNFQANGVPMFFX-UHFFFAOYSA-N 494.537 2.614 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 727727499 FJXSOWPNVKKSHV-GRXPCXMPSA-N 492.624 2.968 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)c1 1154054017 SYOUGXDGOCEIOD-INIZCTEOSA-N 454.556 2.855 50 10 JFGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867190649 CJLPNKOZVIXVQY-SFHVURJKSA-N 480.502 2.610 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H](CBr)C(F)(F)F 1942842048 MEIOVWOACVBLKC-ZDUSSCGKSA-N 471.295 2.698 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]1C2 2046025040 FZUMZMQPVVHBGU-HLBODDRNSA-N 473.364 2.588 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179814934 IRCWVYPNARQTIY-WOJBJXKFSA-N 456.450 2.936 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179820340 XCYQECPBTFHWJY-AABGKKOBSA-N 456.450 2.792 50 10 JFGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 2293449702 GUZPSNVEDACRDY-UHFFFAOYSA-N 465.506 2.877 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1OC 2313621488 XREICCPHYLTYLK-UHFFFAOYSA-N 457.552 2.941 50 10 JFGE Cc1ccc(C)c(S(=O)(=O)/N=C2\C=C(NNC(=O)c3cccnc3)C(=O)c3ccccc32)c1 12112438 XFXOSRGFEDYKMK-VFCFBJKWSA-N 460.515 2.891 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)c(C)c1 12502866 QBFYLSVVYFMKDM-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2ccc(OCc3ccccc3)cc2)c1 1633573475 SSKPTCRUYNXPBJ-UHFFFAOYSA-N 453.520 2.890 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)CC1 1772748134 YVFFBWNETWKGBE-UHFFFAOYSA-N 467.526 2.673 50 10 JFGE CC1(C)C[C@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533023 ODUCKUNNQXAIFI-SGTLLEGYSA-N 461.353 2.588 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CC1 2000533741 SCZOWUFXDJDJSW-GOSISDBHSA-N 461.353 2.590 50 10 JFGE CN1C[C@H](Br)[C@H](NC(=O)c2cc(Br)ccc2I)C1 2029864897 VOOZWTNKSGHDMH-GXSJLCMTSA-N 487.961 2.861 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2060624973 DZVSZSHTTUWGKQ-MWTRTKDXSA-N 473.338 2.653 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(F)cc1B(O)O 2248901599 KGERPWKKDNEZGX-UHFFFAOYSA-N 462.286 2.763 50 10 JFGE CCc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2318462336 GZJRGINZTKMJFT-IBGZPJMESA-N 452.580 2.840 50 10 JFGE COC1(CBr)CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364015725 RTBWXHFORRCHNW-UHFFFAOYSA-N 473.991 2.961 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1 12502927 MMYXVBYSPRNQNQ-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE COc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(OC)c1OC 19849456 LNEJWJZCPKUHGU-QFEZKATASA-N 460.962 2.634 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2cccc3ccccc23)nnn1-c1nonc1N)C1CCCCC1 254295302 NDKGRTXICZWSPX-UHFFFAOYSA-N 473.541 2.914 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084472178 MQDYJDIJRTZBDT-UHFFFAOYSA-N 475.417 2.949 50 10 JFGE C=C[C@@H](C)ONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1557339041 HQARWDYXDJLGMJ-QQFZQELXSA-N 458.316 2.717 50 10 JFGE C[C@@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851560 DWTFQLWMWVJFHA-KGLIPLIRSA-N 491.614 2.596 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 1872960055 ARXOVOSHXIRIGW-CABCVRRESA-N 459.909 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 1940522633 CSXQXSOBXBMLOT-CKEIUWERSA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(S(=O)(=O)CI)CC1 1983327412 MEGOBXXMTSVZGE-CYBMUJFWSA-N 458.362 2.820 50 10 JFGE CC1(C)[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542494 KKKLPLXBERYFFK-KSSFIOAISA-N 461.353 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]1(C)CCBr 2025227842 JQLHWBNUQDZCRS-ROUUACIJSA-N 461.353 2.590 50 10 JFGE CCCN1CC[C@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2056497450 SHGVGWXSFYKNNW-PSASIEDQSA-N 465.176 2.998 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305728 REROTLHGLUDAAD-ZFWWWQNUSA-N 454.431 2.764 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106306094 VRMNPJQEPIQHGA-KGLIPLIRSA-N 454.431 2.573 50 10 JFGE CN([C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106771097 FTOFVIIOCZGFPH-HUUCEWRRSA-N 454.431 2.858 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2243663358 GYXVXFMWXIWBKS-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(c2ncccn2)CC1 2325408125 HBBIZOHLAAYGDH-UHFFFAOYSA-N 474.306 2.558 50 10 JFGE Cc1ccccc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21 39919009 YSEDOBHFEILKLA-GDLZYMKVSA-N 495.583 2.946 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1ccc(I)c(Cl)c1 234591144 VPFWPGWRBOLIST-VIFPVBQESA-N 493.466 2.651 50 10 JFGE CC(=O)N[C@H]1[C@H](OC(=O)CCl)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1OCc1ccccc1 245189406 FRIJYIDOBDHXKU-JQLJUNHVSA-N 475.925 2.698 50 10 JFGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254808293 OXPJYAWOILYCCP-UHFFFAOYSA-N 464.511 2.687 50 10 JFGE CN([C@H]1CCC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709149376 GINPIRUQBWXCEY-HOTGVXAUSA-N 457.390 2.886 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)NCCc1ccccc1 1084121951 VTXIBFAYKVFBAH-UHFFFAOYSA-N 486.572 2.623 50 10 JFGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1304010655 YQBAJBMRCKMGRP-UHFFFAOYSA-N 457.552 2.783 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NS(=O)(=O)CI 1983329257 HPTCGGPZYXGPQY-RYUDHWBXSA-N 458.362 2.772 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](C)(CBr)C1 2046024165 YFSQUOHTPMZIBB-RBUKOAKNSA-N 475.380 2.838 50 10 JFGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(N2CCN(C)CC2)cc1 2059028333 UHYSUAGIHLILMS-UQQQWYQISA-N 498.634 2.850 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2106784650 KAZVSERATZNMDN-ZNMIVQPWSA-N 453.443 2.762 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC2(C1)OCCC[C@H]2Br 2159660523 LSHBDZAHMZBOKP-GFCCVEGCSA-N 452.086 2.765 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 2164500561 GSJRQUDAJVKNKG-UEXGIBASSA-N 495.370 2.991 50 10 JFGE O=C(c1ccc(F)cc1I)N1CCN(CCCBr)CC1 2169927573 DMJVAXAHVXQIML-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F)N1CCC(Br)CC1 2193227436 AYVJCNXADQIBLF-HOTGVXAUSA-N 470.355 2.743 50 10 JFGE Cc1ccc([C@@H](Br)CS(=O)(=O)N2CCOCC2)cc1I 2232828650 UDZPREVHLUSTSU-LBPRGKRZSA-N 474.158 2.698 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2268680631 VSVMQTLFYZSKTK-SANMLTNESA-N 486.377 2.588 50 10 JFGE COC[C@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826492 ITLUPEMDTZZFAY-OAHLLOKOSA-N 475.405 2.515 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2336324385 PMIFXXZJZJMMAQ-HIFRSBDPSA-N 457.312 2.922 50 10 JFGE NNC(=O)[C@@H]1CC[C@@H](COCc2cc(I)ccc2Br)C1 2367269410 UJVSILVKEQQWRR-NXEZZACHSA-N 453.118 2.977 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1OC 13977379 FZWCOJIEWSZMMB-ONNFQVAWSA-N 494.367 2.580 50 10 JFGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3CN(Cc4ccccc4)CCC3=C2C#N)cc1 585673288 SQJFOPMRYQRZRL-UHFFFAOYSA-O 488.549 2.598 50 10 JFGE Cn1cc(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)c(Br)n1 714088023 GSRHUIAHFRXQAL-SNVBAGLBSA-N 493.059 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)(F)F 717834365 HFCKNXQURXGGHC-NSHDSACASA-N 485.322 2.944 50 10 JFGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cn3ncc4ccccc43)cc2)cc1 730513180 WILRIWVOFBMEKU-UHFFFAOYSA-N 493.545 2.697 50 10 JFGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 1084038157 KALKASQZEAKGGQ-JOCHJYFZSA-N 466.538 2.573 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccco2)Cc2ccccc2)cc1OC 1084639536 LCSGVKPAXSISOV-UHFFFAOYSA-N 457.508 2.638 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4c(F)cccc4F)c(=O)c23)C1 1860770898 BGUJFHIBWORGEU-VXGBXAGGSA-N 460.506 2.812 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Cl)C[C@]2(CCCO2)C1 1924215899 JVMQUNXDIPTYJQ-HRAATJIYSA-N 454.976 2.645 50 10 JFGE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 2163052976 JDRADQWSNHPOKW-UHFFFAOYSA-N 463.394 2.622 50 10 JFGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)CCc1nc2ccccc2[nH]c1=O 2318414909 ILGQJPFVKRAFIZ-UHFFFAOYSA-N 453.455 2.712 50 10 JFGE C[C@@H](C(=O)NN=Cc1ccc(N(C)C)c(Br)c1)N(c1ccccc1)S(C)(=O)=O 8665922 OBUJQPRMTVEICT-AWEZNQCLSA-N 467.389 2.820 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 14021256 WZFKCVCSTDUEOB-UHFFFAOYSA-N 460.284 2.867 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Oc3ccccc3)c2)n1)NNC(=O)C(F)(F)F 20832076 VHEHMWOZLLMIPF-AUEPDCJTSA-N 479.444 2.845 50 10 JFGE O=C(CCN(NC(=O)c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 59857780 XATKPFJSHBJIIA-UHFFFAOYSA-N 499.549 2.530 50 10 JFGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)cc2)C1 728260890 LJJPAJMKXMBEEQ-GJZGRUSLSA-N 486.015 2.630 50 10 JFGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1 1084496623 WNTGCGAWWWTVRE-FQEVSTJZSA-N 472.545 2.752 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1)NNC(=O)C(F)(F)F 1084623909 AUUHJTGATWDPTB-UHFFFAOYSA-N 493.471 2.632 50 10 JFGE C#CCN(CC(=O)NNC(=S)Nc1cc(OCC)ccc1OCC)C(=O)OC(C)(C)C 1471690268 KSYSEZBGJFQPJG-UHFFFAOYSA-N 450.561 2.672 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cn[nH]c2)nnc1-c1ccc(Cl)cc1Cl 1587135271 AWUHPTOARXWTMN-UHFFFAOYSA-N 452.327 2.714 50 10 JFGE CN(C)c1ccc(N2/C(=N\C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1615097422 PCQLHOUVUJEOFE-LVCWVFJPSA-N 481.603 2.874 50 10 JFGE COc1cc2c(/C=N/NC(=O)COc3ccc4c(C)cc(=O)oc4c3)c(C(=O)O)n(C)c2cc1OC 1873793889 LIESUNDAUOZRLB-KBKYJPHKSA-N 493.472 2.838 50 10 JFGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915073392 FJHMYGFLJIVNMA-LBPRGKRZSA-N 466.199 2.942 50 10 JFGE C[C@H]1C[C@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 2008780664 QZKILPMGDQGLCP-VHSXEESVSA-N 486.294 2.971 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2046682542 ILORTTXZZKKNGE-PJIJBLCYSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CC(CCCCNS(=O)(=O)N2CCC(Br)CC2)C1 2106300054 BBXLPQZUHXJIGI-UHFFFAOYSA-N 454.431 2.717 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CCl)C(F)(F)C1 2108234568 PSYBEDYBQJQRBQ-PXAZEXFGSA-N 452.882 2.537 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](CCl)(C(F)(F)F)C1 2167690908 XZUIZYLOMBYWMX-IRXDYDNUSA-N 470.872 2.834 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179812009 LKXJQECCLKRVRQ-UXHICEINSA-N 456.450 2.792 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179866258 FCFUCBUYJXNIHP-RBUKOAKNSA-N 454.390 2.574 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188889516 YQMHZBHONMLNJR-VQTJNVASSA-N 456.450 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2218485929 IGYFCKUTGLHCJO-MPGHIAIKSA-N 469.401 2.888 50 10 JFGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2328799228 MUMLGHXBYJIJKW-INIZCTEOSA-N 474.514 2.821 50 10 JFGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2338832891 GVEOJHOEJKLBIQ-IAGOWNOFSA-N 487.416 2.703 50 10 JFGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851018 WOFYYROGTSYDIE-JKSUJKDBSA-N 487.416 2.657 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450664 VFZOIYNOBDTNRE-KPKJPENVSA-N 455.496 2.682 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 12573612 DUHCDTUKUZMXDI-UHFFFAOYSA-N 467.263 2.723 50 10 JFGE CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 35447500 UUCSXJSVEHFWHZ-RGEXLXHISA-N 461.547 2.977 50 10 JFGE COC(=O)COc1ccc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 58889617 MSURMTAPVFLWOA-MTEVNVADSA-N 496.301 2.807 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 58987005 PANRUJOIMMNYCO-AWQFTUOYSA-N 476.316 2.572 50 10 JFGE COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCC(=O)O 59197857 JGWDRVDIWQKDKX-REZTVBANSA-N 460.249 2.589 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1C 224936211 MDXRLFMNHABAKF-PDGQHHTCSA-N 481.461 2.662 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 242930319 GZACOTKSYLXYNR-GOTSBHOMSA-N 459.612 2.676 50 10 JFGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504360904 LFDSJZUWJKJWAH-PFIUSLQNSA-N 480.985 2.688 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1 727497638 DCGHWSQGJLMNMR-FQEVSTJZSA-N 458.609 2.687 50 10 JFGE COc1cc(C=NNC(=O)CNC(=O)c2ccccc2Cl)cc(Br)c1OC 1772719712 OTQCPJAVGFERNJ-UHFFFAOYSA-N 454.708 3.000 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729253 JCRCBQWALLJROE-UHFFFAOYSA-N 476.331 2.770 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749784 ODQLQBPJDPNIPF-UHFFFAOYSA-N 460.490 2.898 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851873 IVQBCNUHFUAGPB-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 1946220597 CINWAGZDPVBLQP-CQSZACIVSA-N 455.374 2.642 50 10 JFGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2020239149 KSZDZIZCCJIMLD-HDJSIYSDSA-N 457.390 2.744 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106777691 VYSWEUSGMYCGHS-KBPBESRZSA-N 454.431 2.668 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](CBr)C2 2128153150 CQUZGMSTLCBETF-IGMJJTELSA-N 487.391 2.979 50 10 JFGE C[C@H](NS(=O)(=O)Cc1ncsc1Br)c1nnc(CBr)s1 2234489164 JIOBIXAFGGOHQG-YFKPBYRVSA-N 462.214 2.833 50 10 JFGE O=C(NC1(C(=O)N2CCCc3ccc(B(O)O)cc32)CC1)OCC1c2ccccc2-c2ccccc21 2341611561 KJRVPSCYZHIKAG-UHFFFAOYSA-N 482.345 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2364206507 TYCXNIKBRODGSC-WIYYLYMNSA-N 499.427 2.659 50 10 JFGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NNC(=O)C(F)(F)F 20830782 NOZPGKXUANBRBB-UHFFFAOYSA-N 466.401 2.644 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1O 58890088 BBLRXRKMOXCGAO-PFHZTYADSA-N 454.264 2.969 50 10 JFGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2C1=O 207423083 TXSVZZIMBWZGHU-XBNGYDHASA-N 458.474 2.871 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924296839 MXLZSZKIHCMJBF-KKSFZXQISA-N 499.427 2.801 50 10 JFGE CC1(C)C[C@@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533024 ODUCKUNNQXAIFI-XIKOKIGWSA-N 461.353 2.588 50 10 JFGE CN(C)[C@@H]1CN(c2ncc(I)cc2Br)C[C@@H]1Br 2015765036 DEWLADOYGKSCGN-VHSXEESVSA-N 474.966 2.962 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCC[C@]1(F)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2198075707 ALTUMZQHNPAJAY-DLBZAZTESA-N 470.405 2.562 50 10 JFGE C[C@]1(CBr)COCCN(C(=O)c2cc(I)ccc2O)C1 2199825851 VAJZIZDYPOLXSS-CQSZACIVSA-N 454.102 2.870 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(F)cc1B(O)O 2326795390 VEIWBMIINZHGQT-UHFFFAOYSA-N 480.276 2.902 50 10 JFGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1c(O)ccc2cc(Br)ccc12 2328808856 ADPDKAYCSJWBRN-UHFFFAOYSA-N 467.279 2.874 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 10283942 AMMJXQOKMHWROA-UHFFFAOYSA-N 473.551 2.613 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1Br 14033961 NLZQLNJURVINGZ-LBPRGKRZSA-N 452.261 2.659 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(F)cc2)cc1 33565504 DUFSQCBZSQCCJJ-XGICHPGQSA-N 459.499 2.918 50 10 JFGE COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 40619468 UIPUZDXBFXSUDC-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=C[C@@H]2CC=CCC2)c1CN1CCC(Cc2ccccc2)CC1 254761894 LHLMZNCSSKQIJZ-HXUWFJFHSA-N 489.584 2.759 50 10 JFGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)CCC3CCCCC3)nnc12 727413053 NTULJPRLONAZMJ-UHFFFAOYSA-N 468.583 2.830 50 10 JFGE COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 1084483273 KQWNTDNJOCOJLH-UHFFFAOYSA-N 465.959 2.908 50 10 JFGE COC(=O)c1cccc(CCNC(=O)c2cnc(C)nc2C2CCN(C(=O)[C@H](C)Cl)CC2)c1 1857517134 GVUPYNDAZNNWFH-HNNXBMFYSA-N 472.973 2.877 50 10 JFGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1 1873792320 BXFGYUSQVXBMFW-VULFUBBASA-N 458.474 2.840 50 10 JFGE O=C(Cc1ccccc1I)NCc1nnc(CBr)s1 1877574219 UHALYUOEGYKOHT-UHFFFAOYSA-N 452.115 2.897 50 10 JFGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NCCOCCI)C(C)(C)C1 1904643649 YLHDSFKFMQLNPF-HSZRJFAPSA-N 460.378 2.935 50 10 JFGE COC(=O)[C@H]1C(=O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC 2069662603 MZMJPCBQSNBXID-PGRDOPGGSA-N 469.610 2.514 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106298470 NKSIQRQOGXJNNM-CQSZACIVSA-N 454.431 2.717 50 10 JFGE Cc1ccc(B(O)O)c(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2248893054 KEEZFFCLSMBVDC-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE Cc1sc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2255524241 PQVZZWLVRFAOCI-UHFFFAOYSA-N 494.378 2.635 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 2297710329 BXOCJBZKKXFQQO-UHFFFAOYSA-N 499.447 2.821 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1C 2301660521 DAFZFNXMGYRVCT-QHCPKHFHSA-N 458.323 2.931 50 10 JFGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCCN1CCCC1=O 2324074669 PMZOYWFAYWAURZ-UHFFFAOYSA-N 471.605 2.930 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CCOc1ccc(B(O)O)c(C(F)(F)F)n1)COCc1ccccc1 2369423278 SUOFPBJLUSFYIR-MRXNPFEDSA-N 484.280 2.659 50 10 JFGE CN(C)[S@@](=O)(=NC[C@@]1(CBr)CC1(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2379984310 LUBDZKXUHGLRSH-QZXCRCNTSA-N 475.400 2.819 50 10 JFGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 10455902 OIHCXNTZVMLXJT-UHFFFAOYSA-N 456.524 2.551 50 10 JFGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629905 JPBYXXUVIVFKNN-OAHLLOKOSA-N 478.343 2.887 50 10 JFGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14668626 JQIZQDHZIODGQG-UHFFFAOYSA-N 466.357 2.951 50 10 JFGE COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC 26713001 VTCLLJZLGGQFDK-AWQFTUOYSA-N 468.260 2.912 50 10 JFGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 40658718 NSDHOMAQSWTMEM-UHFFFAOYSA-N 457.450 2.981 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2F)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989291 NPFICBHVSCVKNH-SSDVNMTOSA-N 488.461 2.637 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)cc(Br)c1 234583579 YMALNWDRKFGBTL-VIFPVBQESA-N 490.917 2.918 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C)(CBr)C1 703958456 RDJWLUQQYITBNF-LJQANCHMSA-N 457.390 2.746 50 10 JFGE Cc1c(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cccc1[N+](=O)[O-] 1860769884 KJMOKBISQYGUSB-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE O=C(NC[C@@H](Br)CBr)c1cc(I)sn1 1884452262 YMBIFMYFHCAEQL-BYPYZUCNSA-N 453.925 2.636 50 10 JFGE C=CC[C@@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2082205486 WZMCZRNJJJUBIG-RBUKOAKNSA-N 475.380 2.908 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 2163050454 JYEUHCZQAVHCIV-CZUORRHYSA-N 463.394 2.884 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c1CBr 2179817146 OEVYRLDABYGCLF-IBGZPJMESA-N 453.406 2.900 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)CCBr)C1 2242031655 UXDLGMQNJJPENB-UHFFFAOYSA-N 450.374 2.744 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2256596960 BUCJXMUUAXLHFC-XMMPIXPASA-N 492.406 2.950 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC1CC(CBr)C1 2301117470 PYONKOUYVQMGIY-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)[C@H]1C[C@@H](CBr)C1 2364339929 GSJZPUPDOCGVMS-OCAPTIKFSA-N 494.047 2.880 50 10 JFGE NNC(=O)[C@@H]1CC[C@@H](COCc2ccc(I)c(Br)c2)C1 2377632637 CVKKIBNXPYYJRV-MWLCHTKSSA-N 453.118 2.977 50 10 JFGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@]2(CBr)CC2(F)F)C1 2379982481 ZFGRBRZPYGIHMJ-SUMWQHHRSA-N 454.356 2.760 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccc(Br)o2)cc1I 12580840 TZEYYRHYECHTSS-UHFFFAOYSA-N 465.041 2.730 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40657706 AENFTIMURYKCRQ-UHFFFAOYSA-N 486.286 2.970 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)NCCCNS(=O)(=O)c2ccc(C)cc2)cc1 59074345 RKKFOEIFXQHKOO-UHFFFAOYSA-N 458.005 2.588 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1 254318824 IRAQQMIKCUZWIP-UHFFFAOYSA-N 498.473 2.897 50 10 JFGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 263631722 NZYNTJMDHDBPES-UHFFFAOYSA-N 491.537 2.637 50 10 JFGE CC(C)[C@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703952330 WNMFZEFUNLXHLY-CQSZACIVSA-N 459.406 2.895 50 10 JFGE CCOc1cc(C(=O)NNC(=O)NCc2cn3ccc(C)cc3n2)cc(OCC)c1OCC 918234402 HMVNQRDJXYBVHY-UHFFFAOYSA-N 455.515 2.983 50 10 JFGE C#CCN(C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1520934882 GMWOMNYAPKTCAM-FBHQFGEZSA-N 451.548 2.659 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cccc(Br)c1 1860771153 LNIRAOHXLHBQTO-UHFFFAOYSA-N 461.341 2.561 50 10 JFGE O=C(N[C@@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2026221535 MMGQSQNLPIEZJE-PSASIEDQSA-N 474.918 2.946 50 10 JFGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCBr)c1 2179815983 PDCLLYFBJDGIRU-GOSISDBHSA-N 455.422 2.811 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179819473 MCUPCPMZIXLBNX-QGZVFWFLSA-N 466.392 2.791 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2317657948 HTZKYCLSCOKBOW-CRICUBBOSA-N 472.350 2.861 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329612556 KVFWJLDVSBSLLQ-AMVBQIFNSA-N 487.391 2.979 50 10 JFGE CCCCN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 33959073 JCRDBHDXYFMASA-QLYXXIJNSA-N 451.483 2.772 50 10 JFGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1 254847228 YIJGKBQPHHGVMZ-UHFFFAOYSA-N 457.533 2.704 50 10 JFGE O=C1NC(=O)[C@@H](c2cc(I)ccc2Br)[C@H]1Br 300886451 BHKANBYEUJRIDT-JGVFFNPUSA-N 458.875 2.557 50 10 JFGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703958225 NMDLRQSVAHEPDT-HUUCEWRRSA-N 471.417 2.992 50 10 JFGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 1084419697 ZOYXGSDTJFYACV-UHFFFAOYSA-N 467.389 2.740 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1cncc(Br)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770962 DKBQBMOVWRIKFC-MNOVXSKESA-N 490.383 2.763 50 10 JFGE CCN(CC)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962118 PYLJCRFVGKFNTG-WOJBJXKFSA-N 478.597 2.663 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCCC2)C[C@H]1CBr 1912787696 WITUQAJTNFYUGA-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1913993938 HYNPTOAJINTTDM-CQSZACIVSA-N 457.390 2.746 50 10 JFGE N#CC(C(=O)CSc1nnc(SCC(N)=O)s1)=C1NC(c2cccs2)=CS1 2040498850 CWEVXHSQDKUVBE-UHFFFAOYSA-N 453.621 2.908 50 10 JFGE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2163058672 MMGGREUQUYXNNE-ILXRZTDVSA-N 468.458 2.962 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178088662 YVTCPVNCIIYAKM-BZPMIXESSA-N 450.114 2.702 50 10 JFGE CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179786410 ADHHZDOWEVKICR-SFHVURJKSA-N 455.422 2.811 50 10 JFGE CC(C)(CBr)CS(=O)(=O)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2290037493 QKNWJEHOBPFNII-IBGZPJMESA-N 458.466 2.629 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2358599919 IAFBJSSBZXJFRA-IIAWOOMASA-N 466.442 2.716 50 10 JFGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12581392 BYVZXWRDSDZZDZ-UHFFFAOYSA-N 470.225 2.990 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661540 ZGNNGBIGIACKGY-UHFFFAOYSA-N 451.317 2.877 50 10 JFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 40815314 XCXMHSNVIZSJGJ-LHLOQNFPSA-N 494.573 2.919 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1 59475344 HXGCYVULCHOOMQ-HAHDFKILSA-N 491.537 2.798 50 10 JFGE COc1cc(C=NNC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 254347675 JNTCQWAYOIIQBJ-UHFFFAOYSA-N 496.436 2.694 50 10 JFGE O=C(NC[C@]1(CBr)CCCOC1)c1ccc(I)c(O)c1 700910179 BLFBOGHKGRCQEJ-CQSZACIVSA-N 454.102 2.918 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 1084426421 WCUITEWBDZNMMD-UHFFFAOYSA-N 457.339 2.723 50 10 JFGE C[C@H]1C[C@H]2[C@@H]3CCC4=C/C(=N/NC(N)=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 1848441543 YISHKSDOXRWYLO-MLIBYTOQSA-N 471.554 2.618 50 10 JFGE O=C1c2ccc(I)cc2S(=O)(=O)N1C[C@H]1C[C@H](Br)C1 1887840152 CPFYYINKOZMKCU-ZKCHVHJHSA-N 456.099 2.609 50 10 JFGE C[C@H](CCCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532284 ILSWVMZBNNRCQV-ACJLOTCBSA-N 463.369 2.884 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2042541501 AXTZGCCECCAIEI-GFOFROLCSA-N 469.401 2.790 50 10 JFGE CCCCCC[C@@H]1[C@H](CC(=O)[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454824 RVVQSAOUUWAZQS-FWULOZTKSA-N 474.550 2.901 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@H]1NC(=O)OC(C)(C)C 2106775489 YJQTZKBSUQHDKZ-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE CN(C(=O)c1cnn(C)c1I)[C@@H](CCBr)C(F)(F)F 2122008653 KDHFMCZTJWIVOZ-ZETCQYMHSA-N 454.028 2.813 50 10 JFGE Cc1cc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2248896823 VPRNQTNCFAHICC-UHFFFAOYSA-N 458.323 2.931 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]1(C)CN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2379777197 KPLOCOPVVVFSBR-HNNXBMFYSA-N 476.384 2.572 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1O 254833161 KPQYIPPGSXMOAU-UHFFFAOYSA-N 464.511 2.693 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 263631683 MLCWERXETMMZRA-UHFFFAOYSA-N 480.590 2.613 50 10 JFGE O=C(N[C@@H]1CCCN(CCBr)C1)c1ccc(I)c(O)c1 384793910 XHCUCLUAOPVSEG-LLVKDONJSA-N 453.118 2.586 50 10 JFGE C[C@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703947795 RQQBXGNVONEJIN-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE COc1cccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)c1 746467732 BKOAOZMHIATZPM-QGOAFFKASA-N 461.503 2.884 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2COc3ccccc3C2)cc1 920851188 CGJXVBZLEUZNIJ-PKIWBCANSA-N 485.544 2.709 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1858081897 OPBNZCPZNWECMH-UHFFFAOYSA-N 474.539 2.784 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2106778217 BDUORDNMHKZZNL-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNNC(=O)c1ccccc1Cl 2296185217 MHIFCEUEQLQNFA-UHFFFAOYSA-N 463.675 2.504 50 10 JFGE Cn1cc(C(=O)NCC(F)(F)C(F)(F)CI)nc1Br 2336544644 XQBXSPRWDFKQTM-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12572452 GAAKZJSQVNICOC-UHFFFAOYSA-N 464.503 2.828 50 10 JFGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629966 OHDCEYCOONDIMK-CYBMUJFWSA-N 464.316 2.639 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc21 15092733 WWJWDLILISTEFV-UHFFFAOYSA-N 460.943 2.691 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)cc1 21204374 OBUAPADODMDGOS-IBGZPJMESA-N 494.013 2.632 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 34917278 UPBSADYRHSTQAR-XFFZJAGNSA-N 454.552 2.766 50 10 JFGE CN(C)c1ccc(N2/C(=N\C=C(\C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 229005659 PCQLHOUVUJEOFE-WSTJQMTCSA-N 481.603 2.874 50 10 JFGE O=C(/C=C/c1ccccc1)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254871331 WKMCHWQUDLVCLX-FIPZCCBRSA-N 452.514 2.926 50 10 JFGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727296122 LRKPZNZXYLPAQP-LJQANCHMSA-N 482.581 2.964 50 10 JFGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084622496 QQDDFYXUIVRHCS-UHFFFAOYSA-N 450.564 2.921 50 10 JFGE COc1ccc(CCNC(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1OC 1251558731 CQYQPIKXHXNJEH-UHFFFAOYSA-N 452.305 2.662 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)CSc1ccc(C)cc1)c1cccc(Br)c1 1628484790 SLRWYCFGOBYPIO-GOSISDBHSA-N 450.358 2.874 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771126 KRIOSEKOFOPOKY-DHZHZOJOSA-N 475.486 2.894 50 10 JFGE COc1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1[N+](=O)[O-] 1860771425 VXPUQIYVTUPOPF-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H](Br)C1CC1 1942841747 IZUUOXWUWVVOLA-MRXNPFEDSA-N 457.390 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H](Br)C1 2000532428 JOIRGZHEKKYITE-VFVRVIDISA-N 461.353 2.636 50 10 JFGE O=C1CN(Cc2cc(Cl)ccc2I)CCN1CCBr 2114633411 IQVRQKNDGNKNMO-UHFFFAOYSA-N 457.537 2.984 50 10 JFGE C[C@]1(CBr)COCCN(C(=O)c2ccc(I)c(O)c2)C1 2199826240 YHQJOSPHTQKNEZ-CQSZACIVSA-N 454.102 2.870 50 10 JFGE COc1ccc(B(O)O)cc1NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268609164 KIXREYFNEPYRJJ-RUZDIDTESA-N 488.349 2.877 50 10 JFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 14030231 ONJVOFTVYDAYRF-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 254407763 RGSNZMFVCYVBQY-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@H](N)C(=O)O)/C(=C\C(=O)O)C1 575626962 BHQAMABUPJQDIU-UMDULAKRSA-N 489.015 2.823 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c(C)n1C[C@@H]1CCCO1 887560188 CTTDNYMCPOBMOW-VWAINHAJSA-N 470.448 2.511 50 10 JFGE CCOc1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)ccc1O 1084229920 SLMKDSSPQHQTET-UHFFFAOYSA-N 489.945 2.562 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1 1084578327 PSXOCWSZTCNBBG-UHFFFAOYSA-N 466.519 2.979 50 10 JFGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)c1 1772748489 YOMULTDBKYLBNZ-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccco2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858953721 URJXGYMNAWOLCH-UHFFFAOYSA-N 463.399 2.734 50 10 JFGE COc1cc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 1860773796 FHXMZKZBTAWTQV-WCCZABOQSA-N 471.495 2.671 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1CCC[C@@H]1Br 1913738599 TWKCXRKTADUBSP-PBHICJAKSA-N 457.390 2.936 50 10 JFGE Cc1nc(I)c(I)n1-c1cnc(CCl)cn1 1936389996 WYWVTSMKOKOLIE-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE CC1(C)[C@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542495 KKKLPLXBERYFFK-RDTXWAMCSA-N 461.353 2.588 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139708164 YRVNIWQDXBOLAV-YVUHFIDMSA-N 487.391 2.882 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CCl)C1 2163289310 MJGORYLPNIVJSV-SWLSCSKDSA-N 466.909 2.988 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCN2C[C@H](Br)C[C@H]2C1 2169666828 BQDGOZMQTPXXBA-KOLCDFICSA-N 453.093 2.724 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296849765 QCHTVMMRBTWKAX-HDICACEKSA-N 464.547 2.955 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10455751 FPKBDBILCUMZFC-JTQLQIEISA-N 470.334 2.883 50 10 JFGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC 254833192 ABGQZADOYPAKAW-UHFFFAOYSA-N 486.510 2.659 50 10 JFGE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)CC(C)(C)C)cc2)cc1 728609014 JHRAZLDMKUCFCZ-UHFFFAOYSA-N 477.583 2.873 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 1638058447 YPUYVNXSJFSVFS-LBPRGKRZSA-N 453.264 2.785 50 10 JFGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018108876 SKAJANSFGMZAPZ-CJNGLKHVSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CBr)cc2)CCO1 2162589485 QXZSAXLKLSSFGW-CABCVRRESA-N 463.394 2.932 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2241022010 WQBJEZRMFRRLMA-OJLVUWQFSA-N 466.442 2.762 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2243675244 TXXDCTVBKIYYRB-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE CC(C)(CI)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2351605877 CYODABPKCZHSIF-HNNXBMFYSA-N 479.403 2.991 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 10455965 DPDSQEHMIGDYKA-CQSZACIVSA-N 451.504 2.729 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 14657288 WFSABAGHBRAYNZ-UHFFFAOYSA-N 492.557 2.913 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658143 UVOKMWSRPXHHLN-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE NNC(=O)CNc1c(Br)cc(Br)c(N2CCCC2=O)c1Br 59507317 YUGRWCWRDZPXOC-UHFFFAOYSA-N 484.974 2.503 50 10 JFGE O=S(=O)(NCCOCCBr)c1cc(Br)ccc1Br 136808882 WZQNIQCTVJUWBU-UHFFFAOYSA-N 465.989 2.901 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 242930320 GZACOTKSYLXYNR-XZOQPEGZSA-N 459.612 2.676 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2coc3ccccc3c2=O)sc2c1CCCC2 254501754 VJHXDUPSJPDNNL-UHFFFAOYSA-N 467.503 2.999 50 10 JFGE COCCCNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748253 VNWLLYYESKQAQQ-UHFFFAOYSA-N 463.332 2.982 50 10 JFGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3C)ccc1OCC(=O)N(CC)CC 1865707006 LKGNQPQNFQUWBU-NRFANRHFSA-N 453.543 2.847 50 10 JFGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCOCCCl)CCN(Cc2ccccc2)CC1 2072243846 AYVHFLIKDKACQO-UHFFFAOYSA-N 490.066 2.721 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2106299060 UKLGZWGMBWCPGR-KGLIPLIRSA-N 452.415 2.516 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCCl)CCSCC1 2108228191 NVOHRZJKOIYVTF-GOSISDBHSA-N 462.996 2.825 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2201762134 DXNMNGAZMXPAIJ-LKFCYVNXSA-N 452.086 2.765 50 10 JFGE COc1ccc(C(=O)NNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1I 9229447 YBPNEMVYCUFFKO-RUDMXATFSA-N 467.219 2.682 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOCC)c2)cc1 10276396 QXBAPYZNBDUXQB-UHFFFAOYSA-N 472.567 2.790 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)NNC(=O)c1ccc(F)cc1 20923193 JBCYHZVHCBJHME-ZVBGSRNCSA-N 492.334 2.706 50 10 JFGE N=c1nc(CCCl)[nH]c(=Nc2ccc(I)c(Br)c2)[nH]1 382157891 YSAFSVGMLFLDME-UHFFFAOYSA-N 454.497 2.598 50 10 JFGE N#CC1(O)CCN(C(=O)[C@H](CCC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757396872 DLWPOAYOODEZJN-QFIPXVFZSA-N 477.517 2.636 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NCc1ccco1 1084036615 HQTLHAQYXGMWIZ-UHFFFAOYSA-N 454.870 2.717 50 10 JFGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743777 IIWIGIGCCZBKLI-UHFFFAOYSA-N 458.946 2.774 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(F)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745302 WEQPFTCACQLZDY-UHFFFAOYSA-N 464.453 2.978 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)C1 1860772114 ROWGZSACDYBMKF-UWVGGRQHSA-N 479.356 2.961 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2070000167 HWLHFNSCZJSBSF-IKGGRYGDSA-N 469.401 2.886 50 10 JFGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCOCC1 2162591006 HGHVTLYDJAXUQT-UHFFFAOYSA-N 463.394 2.934 50 10 JFGE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2163049876 DTBQOXKCNODISZ-OAHLLOKOSA-N 463.394 2.838 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179812011 LKXJQECCLKRVRQ-WOJBJXKFSA-N 456.450 2.792 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2256641015 SEAWLGINBXKENC-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(N3CCN(c4ccccc4)CC3)nc12 2296546372 WANHRZKSMWQAMH-QHCPKHFHSA-N 498.587 2.532 50 10 JFGE CNC(=O)C(C#N)=C1S[C@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834970 HWYCKSLWTCSFCG-IBGZPJMESA-N 485.363 2.695 50 10 JFGE C=C(Br)CS(=O)(=O)NCC(F)(F)C(F)(F)CI 2299789012 FMTBRVAJTGWIEF-UHFFFAOYSA-N 454.021 2.520 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@H](F)C1 2301104462 ISQNXBYSOWXQHZ-JKSUJKDBSA-N 461.353 2.590 50 10 JFGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc(Cl)c1OC(C)C 2323157713 HIKVERNJYGZRLC-SNVBAGLBSA-N 455.924 2.753 50 10 JFGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325079060 ASHGXMVSGVHZQH-FQEVSTJZSA-N 482.606 2.985 50 10 JFGE CCCn1nc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c2ccccc2c1=O 16231539 UEIKNYBCFQMYGM-UHFFFAOYSA-N 463.519 2.917 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccccc1C#N 59157142 UUVGZFSWTIJOFN-FOKLQQMPSA-N 463.410 2.706 50 10 JFGE CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)NCCCN3CCCS3(=O)=O)cc2)cc1 726276737 MGSAFWKHTDQDEM-UHFFFAOYSA-N 494.639 2.695 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)Nc2ccccc2C)cc1 1556391963 AKSHXIQQCNTJML-FQEVSTJZSA-N 458.540 2.594 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ccc(F)c(F)c2F)cc1 1636765099 SSDMSZPRNYKIIF-QGZVFWFLSA-N 455.458 2.993 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867081101 QYHDIQRMRZOXSX-HXUWFJFHSA-N 499.593 2.898 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1 1873777838 UARONCMXXAESRL-SFHVURJKSA-N 469.501 2.878 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CCl)(CC(F)(F)F)CC1 2131791766 OEEAOSQRAJTXTJ-UHFFFAOYSA-N 452.882 2.886 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2256624104 UOXXKUQLEHNAQT-UPCLLVRISA-N 473.338 2.653 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296849767 QCHTVMMRBTWKAX-ROUUACIJSA-N 464.547 2.955 50 10 JFGE CCOC(=O)C(F)(F)CCS(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2369431322 PONGSYDPBFBLIG-HNNXBMFYSA-N 472.348 2.865 50 10 JFGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)c1ccccc1O 33780843 IDLNFAYXZLOMOC-WGULBIPPSA-N 496.545 2.729 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H]1Br 707409258 IUAJDFRFTFNSEP-CJNGLKHVSA-N 457.390 2.792 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C[C@@]2(CCCO2)C1 1924211261 BWKUEWHBBZZHDT-BTYIYWSLSA-N 454.976 2.501 50 10 JFGE C[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2000539596 BDWRXDJPRPKLDN-SGTLLEGYSA-N 463.369 2.740 50 10 JFGE CN([C@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCCBr)c1 2179790165 ACATYPWIKGBZST-SFHVURJKSA-N 455.422 2.953 50 10 JFGE CCOCCOCCOCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 2223305745 ZVARZQWTNWJFFM-QGZVFWFLSA-N 475.364 2.791 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cc(F)c(B(O)O)cc1Cl 2256019270 YHOABNQDKOMGNK-UHFFFAOYSA-N 464.730 2.716 50 10 JFGE O=C(COC(=O)c1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1)NNC(=O)c1ccccc1 2293031085 DIAICOWEUMMMCL-UHFFFAOYSA-N 479.514 2.717 50 10 JFGE Cc1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2307569980 JNINFGHNYHJLAU-HNNXBMFYSA-N 462.286 2.680 50 10 JFGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 2325384818 UFFDESBDSVMJKA-HNNXBMFYSA-N 478.924 2.755 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2339881140 LRBHKSDMKBKHDA-SANMLTNESA-N 484.361 2.568 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2Cl)c(Br)c1 12571170 ZUJCWZYYGAOEEI-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCC(=O)NNC(=O)CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1 20909105 TVAZDYSJIZIWPT-UHFFFAOYSA-N 451.556 2.708 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217191561 GZACOTKSYLXYNR-MCQLSJLSSA-N 459.612 2.676 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccc(C)s3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)s1 254520835 JRJHMNGJLTYOER-KRWDZBQOSA-N 469.613 2.641 50 10 JFGE O=C(COc1cccc2cccnc12)NN=Cc1cc(Br)c(N2CCOCC2)o1 1084412787 YOMLOEABXALRCZ-UHFFFAOYSA-N 459.300 2.956 50 10 JFGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1440329473 GHBAAZDPYLJACG-UHFFFAOYSA-N 456.524 2.549 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(C)C[C@H]3Br)CC2)c1 1588025763 GQFMZIGVDPXBPS-MJGOQNOKSA-N 457.390 2.580 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cncc(Br)c1 1860770886 AYYDSFCENZOKOV-UHFFFAOYSA-N 484.335 2.744 50 10 JFGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1 1865757250 UETQOFXULLHLFX-UHFFFAOYSA-N 459.474 2.955 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2000816319 SZHVORPIGXGWCH-MRXNPFEDSA-N 455.374 2.642 50 10 JFGE CN1C[C@H](Br)[C@H](NC(=O)c2ccc(Br)cc2I)C1 2086145184 JUHSROYHDSZILW-GXSJLCMTSA-N 487.961 2.861 50 10 JFGE CCC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106306074 VKVXWGUQCGNYCJ-QGZVFWFLSA-N 454.431 2.860 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1ccc(I)c(O)c1 2178907587 RCJBXZUOELNVCH-QWRGUYRKSA-N 453.118 2.536 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2218485939 IGYFCKUTGLHCJO-RLFYNMQTSA-N 469.401 2.888 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2269690855 IBJRIYSGMAPQQF-VWLOTQADSA-N 490.340 2.685 50 10 JFGE COc1cccc(NC(=O)C(C#N)=CN=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 2297471445 NKNOCDMMDKGEQH-NHCUHLMSSA-N 498.586 2.825 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315492438 YTUOPYBJMAKXKZ-JKIFEVAISA-N 469.401 2.886 50 10 JFGE NNC(=O)c1ncc(COc2cc(Br)cc(I)c2)s1 2338722153 KCEKZNJLTMZUFZ-UHFFFAOYSA-N 454.087 2.693 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@H](CCBr)C1 2338861728 TYNMXHMQVMLOTQ-SSDOTTSWSA-N 459.964 2.571 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 10040400 APAMPAPCVVOIES-ZHACJKMWSA-N 460.943 2.803 50 10 JFGE O=C(CCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc(Br)cc1 13998693 FVJDNMSUGLNQCD-UHFFFAOYSA-N 463.328 2.932 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2cccc(C)c2C)cc1Br 14661596 WDURADWBCCGZBU-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE C[C@H]1CCc2sc(C(=O)NNC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2C1 28633964 AKTHBJVRHYHXIL-AWEZNQCLSA-N 476.562 2.689 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccc(F)cc1 40657948 CLGBDLSNTVKQBH-UHFFFAOYSA-N 490.249 2.800 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611554 RGSDJJATVTUHCZ-NHFJDJAPSA-N 474.517 2.827 50 10 JFGE N#CCOc1ccc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 1084483897 VQYAZJAEPITYFR-UHFFFAOYSA-N 493.501 2.843 50 10 JFGE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1 1858628673 MMTFPBQNTZUSKO-UHFFFAOYSA-N 453.448 2.638 50 10 JFGE COc1ccc2c(c1)c(/C=N/NC(=O)COc1ccc3c(C)cc(=O)oc3c1)c(C(=O)O)n2C 1873793948 NWVQSRNMCCAMSP-OPEKNORGSA-N 463.446 2.829 50 10 JFGE C[C@@H]1CC[C@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533506 QYQJPGBZGQVNKF-FHSNZYRGSA-N 461.353 2.588 50 10 JFGE C[C@H]1CC[C@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2018682144 FNNASQKIOPBDKG-LIRRHRJNSA-N 457.390 2.936 50 10 JFGE C=CC[C@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023602779 DKPQTLTVGYZKNB-OAHLLOKOSA-N 457.390 2.960 50 10 JFGE CC1(C)[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2026149444 WAGYFONKIVSJKP-CVEARBPZSA-N 457.390 2.934 50 10 JFGE CN(C1(CBr)CCCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050879056 BSOYGSZXCVHHSQ-SFHVURJKSA-N 475.380 2.980 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053981574 JOIJYNAKQYSFEJ-RLFYNMQTSA-N 469.401 2.746 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179817188 OJWWHAWZRZPCMU-PMACEKPBSA-N 456.450 2.792 50 10 JFGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)CI)C[C@@H]2CCCC[C@H]21 2212718010 AWMFMXRHVXROIA-RWMBFGLXSA-N 458.362 2.867 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CBr)(O[C@H]2CCCN(S(C)(=O)=O)C2)CC1 2270091456 IUXYDMSZZGZRAB-AWEZNQCLSA-N 455.415 2.592 50 10 JFGE COC(=O)[C@@H](Br)CNC(=O)Cc1cc(Br)cc(Br)c1 2277919348 WDEDAUXQKIETLM-JTQLQIEISA-N 457.944 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H](Br)C1CC1 2301116545 GSKSFPJIGPETML-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 2313616937 BSJWPRHAOPEWGL-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@H]2Br 2315422954 XKYVWSLSWUDBTN-UESRRSCYSA-N 473.364 2.588 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 14027547 XRKSKOPZTBMDJH-UHFFFAOYSA-N 494.367 2.649 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1Br 14038002 IRWUPEAZBLFADK-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(N)=S)CCC2 40824611 YGRVGYPZNNASEJ-WSDLNYQXSA-N 454.339 2.843 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cncc(Br)c1 41013633 WGOHOOFFHIJNGU-OVCLIPMQSA-N 472.295 2.838 50 10 JFGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2cccc3ccccc23)nnn1-c1nonc1N 254486365 VSUMRAMYBMFBAG-HNNXBMFYSA-N 459.514 2.524 50 10 JFGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1C(=O)O)NN=C/C=C/c1ccc([N+](=O)[O-])o1 254856596 SKRKPPKMDHCGAA-PLSNGRPOSA-N 460.384 2.879 50 10 JFGE C#Cc1cccc(CNC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1 1312862357 KEWMOHOYZHUKTR-UHFFFAOYSA-N 451.490 2.514 50 10 JFGE CC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)s1 1915170667 AGHARDKTEGBSDZ-CQSZACIVSA-N 459.391 2.861 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924280409 MNUDYMPXSIZWKY-QVKFZJNVSA-N 499.427 2.657 50 10 JFGE CC1(C)CC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024022 XDECTSWDHLTRIJ-GOSISDBHSA-N 475.380 2.884 50 10 JFGE CN([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2106775021 SWRLRMANQGDQIX-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@]1(C)CNC(=O)OC(C)(C)C 2106776161 FIOCBBREFGIRLB-DYVFJYSZSA-N 454.431 2.573 50 10 JFGE C=C1CC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2246873075 VXOURLALAKWBHV-UHFFFAOYSA-N 455.374 2.856 50 10 JFGE Cc1cc(B(O)O)sc1CNC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248901765 XLOOQNCJJWDZSE-UHFFFAOYSA-N 478.379 2.671 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)OC(C)(C)C1 2364228416 MJGBHQLOSXDMNG-ZETCQYMHSA-N 473.991 2.960 50 10 JFGE CSc1nc(O)cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1 3130318 OOHPACHQIUIWBU-FZSIALSZSA-N 462.123 2.899 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 16270765 OKDLYCYACJANRD-CYBMUJFWSA-N 467.751 2.754 50 10 JFGE COC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@@H](N)C(=O)O)/C(=C/C(=O)O)C1 504243375 BHQAMABUPJQDIU-QZIMMCAGSA-N 489.015 2.823 50 10 JFGE in-vitro O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1)NCCc1ccccc1 1084065375 KLLXIDCGAGFFPH-UHFFFAOYSA-N 458.518 2.903 50 10 JFGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1312853452 SJYJJELTEMMCLZ-HXUWFJFHSA-N 456.568 2.603 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744832 KTRLILWGOAIGAP-UHFFFAOYSA-N 491.460 2.747 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1860770876 ASVDGBYFHLDWPG-UHFFFAOYSA-N 478.530 2.532 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CNC(=O)OC(C)(C)C 2106773986 NUKHCXGAKBNIBK-KGLIPLIRSA-N 454.431 2.573 50 10 JFGE Oc1ncnc(N2CC[C@@](CBr)(C(F)(F)F)C2)c1I 2111392406 LFFJAGHAFNSHTM-VIFPVBQESA-N 452.012 2.941 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CNS(=O)(=O)N3CCC(Br)CC3)CCC[C@@H]12 2162587364 SDULKADNQXJQBN-QAPCUYQASA-N 466.442 2.860 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 2163050453 JYEUHCZQAVHCIV-CJNGLKHVSA-N 463.394 2.884 50 10 JFGE O=C(NCCC(=O)N1CCCc2ccc(B(O)O)cc21)OCC1c2ccccc2-c2ccccc21 2257367943 FBPQQQWPIPZAHW-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE O=C1CN(Cc2cc(I)ccc2Cl)CCN1CCBr 2352414856 ZCGXUBFFWLNZMY-UHFFFAOYSA-N 457.537 2.984 50 10 JFGE Cn1cc(C(=O)NNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc21 10736769 QIRSPDQVEQDVCU-UHFFFAOYSA-N 483.322 2.778 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1I 12502946 JKDCSWYGHCFJCY-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623538 IUIPUPOUAUQOQW-LJQANCHMSA-N 468.579 2.550 50 10 JFGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OC 252642943 ZRPFFWJLPQTNKG-UHFFFAOYSA-N 498.399 2.999 50 10 JFGE O=S(=O)(N[C@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 323339678 XIEMDHAIXZACOY-BDAKNGLRSA-N 463.973 2.652 50 10 JFGE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccc(F)cc1Br 726252753 LEWVVQXJXBWAIX-UHFFFAOYSA-N 478.299 2.711 50 10 JFGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 1084000458 FUJZELCFEQZEAG-UHFFFAOYSA-N 474.388 2.730 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)c1cccc(N2CCCC2=O)c1 1084570598 ZDYMGPDOPPJVIP-UHFFFAOYSA-N 472.549 2.908 50 10 JFGE C#C[C@@H](NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 1683676833 WIGMHWRPLYQSJT-QGZVFWFLSA-N 454.533 2.867 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)(F)F 2046022200 IDLMJBJENGMAMT-CABCVRRESA-N 489.285 2.646 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2086663739 FKNUWXKVRMMYGQ-PMACEKPBSA-N 469.401 2.938 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2179871214 XMKIJACKGCXUQZ-IBGZPJMESA-N 453.406 2.981 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2248369863 CTRBPBBBTNXATO-CKFHNAJUSA-N 455.374 2.546 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2269542295 FQUIMPKZKITDHQ-UHFFFAOYSA-N 484.361 2.568 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2317605796 OKEJWMIQAQUVOR-DEOSSOPVSA-N 470.334 2.573 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2336289848 OIJRIUDJAPPUSF-AWEZNQCLSA-N 454.431 2.668 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CCl)C1 2355580524 DZYBKXKFZDLXCF-AQNXPRMDSA-N 460.930 2.774 50 10 JFGE COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 13982420 DSRJPQGAJLXYPE-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CC(C)CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 13982713 JOTFVHQTARMXSS-UHFFFAOYSA-N 467.183 2.658 50 10 JFGE O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NNC(=O)C(F)(F)F 59791692 ZBZNTWUWADEJNJ-UHFFFAOYSA-N 466.401 2.644 50 10 JFGE Cn1c(N)c(C(=O)/C(C#N)=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C)c1=O 918734847 AQQAWPPAVZEJNE-XFFZJAGNSA-N 461.425 2.598 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c1 1637295013 IPIXXZNZYLTILF-AVRDEDQJSA-N 454.552 2.715 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859006919 KWNAUJNMSZVWSP-UHFFFAOYSA-N 480.474 2.559 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866582329 SFQIFXXNNDWSHX-XLIONFOSSA-N 457.577 2.751 50 10 JFGE CC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)s1 1915170666 AGHARDKTEGBSDZ-AWEZNQCLSA-N 459.391 2.861 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)Cc2ccccc21 1983328114 UDOZAHFKYFDIDF-LBPRGKRZSA-N 452.314 2.665 50 10 JFGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002033888 BGBLZADMUOXYEC-CJNGLKHVSA-N 457.390 2.744 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2016066407 NFQZLBVCYMCRTD-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1ccc(I)c(Cl)c1)N1CCOCC1 2145632136 FYBLTXIWRYOUEP-LLVKDONJSA-N 450.125 2.887 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 2234687147 VBIGGCPIFGDLQZ-HDICACEKSA-N 453.406 2.706 50 10 JFGE Cc1ccc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2278699004 WRDUFLRHDNTLIR-SANMLTNESA-N 486.377 2.854 50 10 JFGE CN(Cc1ccccc1I)S(=O)(=O)N1CCC(Br)CC1 2280336716 SGHJEWPEEKWDST-UHFFFAOYSA-N 473.174 2.827 50 10 JFGE CC(C=Cc1ccccc1)=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 2313589003 RQRJEQUOBSPKLM-UHFFFAOYSA-N 482.482 2.773 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2338837287 PGHVAEWPPAUHFT-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE CCN(CC)Cc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)o1 109420426 DXBPHHCQGZBYQE-UHFFFAOYSA-N 451.527 2.560 50 10 JFGE CC[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253320314 OIAWKHFSULEVAF-JSPCNNAFSA-N 472.655 2.591 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=C3CCc4ccccc43)nnn2-c2nonc2N)cc1 254624463 IDAQYMCMGKMTNV-UHFFFAOYSA-N 460.523 2.914 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1872961902 NKJKVFOKCTZFPM-HOTGVXAUSA-N 486.370 2.579 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 2179860579 UOWXXRKXVMBREA-GOSISDBHSA-N 455.422 2.790 50 10 JFGE Cc1cc(B(O)O)sc1CN(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256596973 BXDRISMLQSHFMW-UHFFFAOYSA-N 460.405 2.912 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310100043 YNIGWTMGBGVHBN-FKPWOLHESA-N 473.364 2.588 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313892292 PWUMHHQWRYUVRW-UHFFFAOYSA-N 485.562 2.766 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]1C2 2359250242 CSLBCDFUDZOMPX-RVKKMQEKSA-N 461.378 2.685 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572182 ADZSUNOUVXQSQI-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1ccccc1O 252635720 WZWUHIIGJDXYBN-UHFFFAOYSA-N 491.591 2.776 50 10 JFGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 254704152 JEIAXLUASJVTSK-UHFFFAOYSA-N 450.417 2.698 50 10 JFGE C=C(C)Cn1c(SCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)nnc1-c1ccco1 1529626967 OWHRYPUARFDBSD-CQSZACIVSA-N 459.503 2.960 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CCCC5)c(C)nc2c1 1860772479 ZVMRFGTUMKUQCM-CQSZACIVSA-N 464.551 2.624 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866582327 SFQIFXXNNDWSHX-FXAWDEMLSA-N 457.577 2.751 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(Br)CC1)CC(F)(F)F 2117340788 VECJHRMLEHBFLC-NSHDSACASA-N 468.336 2.526 50 10 JFGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(B(O)O)c(C(F)(F)F)c1 2267327509 VSWYVPBLHXPEED-UHFFFAOYSA-N 466.265 2.552 50 10 JFGE O=C(NCCCC(=O)N1CCCc2c(B(O)O)cccc21)OCC1c2ccccc2-c2ccccc21 2269564579 XJFLYMMTGJIGJP-UHFFFAOYSA-N 484.361 2.965 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2364210723 GEAGKUJCGFFVOJ-SNRMKQJTSA-N 499.427 2.515 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(C)c2)cc1I 12500767 LPRRBBLCMCMOSZ-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2I)c2ccccc2c1=O 32476077 LIEXDEDXDVRQEA-UHFFFAOYSA-N 496.692 2.749 50 10 JFGE O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100431903 WKMCHWQUDLVCLX-MKSVTQISSA-N 452.514 2.926 50 10 JFGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)cc1OCC 253320740 QWUBJHSJNUFLSF-ICFOKQHNSA-N 459.524 2.909 50 10 JFGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C(C)(C)C)cc3)c2)CC1 1137765028 DSXPRFBABLBFKP-UHFFFAOYSA-N 458.584 2.594 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCI)C1 2044704612 DZDXBLWLGSKEFH-GJZGRUSLSA-N 465.376 2.649 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@H](CBr)CC1CC1 2127125529 JBRJGKJICSLRBD-HNNXBMFYSA-N 451.427 2.518 50 10 JFGE CC[C@@]1(Nc2ncc(Br)cc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2231676962 WVHDKYOUPAUBCK-HXUWFJFHSA-N 462.153 2.517 50 10 JFGE CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2231934309 GMERYMGHXSEAQE-HNNXBMFYSA-N 454.431 2.812 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310041375 UKDVUMNEMPLHED-ZZCKCESHSA-N 469.401 2.934 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1Br 12570390 BFSDZLQDUJMBKU-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(OC)c(Br)c1 14024127 DNVSYOURIDFEBU-UHFFFAOYSA-N 464.341 2.972 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4C3)cc2)cc1 15662497 GVBCPCKUJCSFNS-QFIPXVFZSA-N 493.585 2.828 50 10 JFGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc(C#N)c(C#N)nc12 39846398 DDCKCMWWTYYPSV-YADHBBJMSA-N 479.338 2.773 50 10 JFGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40645768 XVIKADRELFSCBP-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-] 40659580 XFGHFYQIPCXJHH-UHFFFAOYSA-N 475.252 2.948 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccnc3)n2N)c(O)c1 58991793 UNWLXOXHZZUJJI-MFKUBSTISA-N 468.587 2.628 50 10 JFGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1 102687361 XMDLPNLVIJLTDL-MNDPQUGUSA-N 472.549 2.699 50 10 JFGE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NNC(=O)c1ccc(OC)cc1OC 730495747 VABLCPWSYQBAIS-CQSZACIVSA-N 466.581 2.829 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(-c3ccncc3)n2N)cc1 1084646886 PCMANTFBNQAHKZ-UHFFFAOYSA-N 452.588 2.923 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)c1cc(Br)cn1C)c1ccc(Br)cc1 1478896694 QPHKZUDQYWJNOA-ZDUSSCGKSA-N 454.122 2.869 50 10 JFGE COc1cc(C=NNC(=O)CSCC(=O)Nc2ccccc2)cc(Br)c1O 1772718917 OTXAZHJEGZTMCT-UHFFFAOYSA-N 452.330 2.985 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851441 BRCKUJGWKHMWNE-HZPDHXFCSA-N 496.589 2.935 50 10 JFGE CCC[C@@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539646 BPBIEILSRVECEW-ACJLOTCBSA-N 463.369 2.884 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1csc(Br)c1Br 2057670817 TVERMCBAQGEDGU-NTSWFWBYSA-N 482.013 2.563 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C)(CCBr)C1 2068154273 FJBLNOXZIACXAJ-OALUTQOASA-N 475.380 2.838 50 10 JFGE O=C(OCc1ccccc1)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2106297606 GXBASKDASAIFKD-SFHVURJKSA-N 486.432 2.871 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@@H]21 2108399237 KVFWJLDVSBSLLQ-CXIBIASBSA-N 487.391 2.979 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CBr)C1 2120125267 XIKVARKDWMRZNS-VQTJNVASSA-N 487.391 2.982 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2127908087 VQYFPEJIGYRIAQ-TZMCWYRMSA-N 454.431 2.620 50 10 JFGE O=S(=O)([C@@H]1CC[C@@H](CBr)C1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179832141 HARJQPLNPIAKSJ-VAMGGRTRSA-N 457.434 2.857 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1cc(I)ccc1Br 2303602375 LCXNVSDQFBNCCG-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@@H](CBr)C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2329487655 LFBRUPRUMZMBJT-OAGGEKHMSA-N 451.427 2.516 50 10 JFGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843872 WOFYYROGTSYDIE-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE CO[C@]1(CBr)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851020 WPSLGEQATVHXOB-FQEVSTJZSA-N 487.416 2.659 50 10 JFGE COc1ccc(CCO[C@@H]2CS(=O)(=O)C[C@@H]2I)c(Br)c1 2364694576 BLKNMDAYXSJOFP-QWHCGFSZSA-N 475.142 2.617 50 10 JFGE COc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1I 12573534 SRVUFIZPCZCALZ-UHFFFAOYSA-N 458.168 2.873 50 10 JFGE CCCCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 15905812 UATPLBTXNAFDAL-UHFFFAOYSA-N 495.588 2.941 50 10 JFGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 102855619 BVNVLMYDVXPFSQ-DPWKNNTCSA-N 477.502 2.658 50 10 JFGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)CSc2ccc(C)cc2)CC1 1310565543 LEKDNCULAGONRS-UHFFFAOYSA-N 455.584 2.604 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1637294907 DZRHJUBKARSUAE-QFIPXVFZSA-N 457.556 2.532 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)N2CCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858959618 WVEBQLPTTLEPQD-UHFFFAOYSA-N 466.447 2.517 50 10 JFGE CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866808871 GGIJWTQFDQJNJN-FQEVSTJZSA-N 488.591 2.915 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H]2C[C@H](Br)CC[C@H]21 1940527002 CSXQXSOBXBMLOT-JJRVBVJISA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](Br)CC12CCC2 2003751242 BEGOKMQUCRDUQP-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE CN(C1(CCBr)CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2015859948 PWPIFCGMHHMVSL-KRWDZBQOSA-N 461.353 2.590 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2020782342 JRXAMKIJQSFKMX-HXUWFJFHSA-N 479.665 2.771 50 10 JFGE C[C@@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162591118 IBCIEMUWYXVFHT-DTZQCDIJSA-N 466.442 2.857 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)[C@H]2CS(=O)(=O)C[C@H]21 2182844272 BOHLZLCSWYAOKQ-DLBZAZTESA-N 459.406 2.800 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185501821 ALNZDFOMNZKFNM-NMLBUPMWSA-N 457.434 2.855 50 10 JFGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)N1CC(OCc2ccccc2)C1 2204137770 NYKFFNUUTNHDSG-KRWDZBQOSA-N 462.454 2.607 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)cc1B(O)O 2243679339 WQVQCUWHAQRZPG-CQSZACIVSA-N 464.714 2.886 50 10 JFGE O=S(=O)(Nc1cc(Br)ccc1I)N1CC(Cl)C1 2246897811 QGOGIEWNUQIRKS-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE CCCN(CCC)Cc1c(C(=O)NN=CC(C)=Cc2ccccc2)nnn1-c1nonc1N 2297317187 NRDCILSNYFGEBU-UHFFFAOYSA-N 451.535 2.674 50 10 JFGE Cn1nc(Br)cc1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303540590 SGIFCQNDHCGUHM-ZDUSSCGKSA-N 481.210 2.831 50 10 JFGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(CCOCCI)C2 2306805067 OQTNXDNPVKZHIK-UHFFFAOYSA-N 467.373 2.978 50 10 JFGE CN(C)C(=O)C(C#N)=Cc1cc(I)cc(I)c1O 2313567511 KQPIERAQMASVIN-UHFFFAOYSA-N 468.032 2.597 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccs2)ccc1Br 2313620166 SUCQRPGDIPIXNH-UHFFFAOYSA-N 454.371 2.933 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 34799082 WFBXGGPEDWQZBF-JBXOJTMHSA-N 498.948 2.659 50 10 JFGE O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 254303730 QEMXQYTZGWUXLC-UHFFFAOYSA-N 459.484 2.723 50 10 JFGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1O 1083973809 LPSVPHCQOLHQKI-UHFFFAOYSA-N 484.372 2.696 50 10 JFGE COc1cc(CCNC(=O)C(=O)NN=Cc2c(Cl)cccc2Cl)cc(OC)c1OC 1084408119 YSKCXBBMLBZQJN-UHFFFAOYSA-N 454.310 2.828 50 10 JFGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 1084581098 FHJQRHPLPYGNNV-MRXNPFEDSA-N 465.300 2.885 50 10 JFGE C[C@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])s1)n1cnc2sc3c(c2c1=O)CCCC3 1860771919 LQENRFIHUIIBQP-LXSSAFMLSA-N 473.536 2.728 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCSCCCBr 1899591100 RAHXGBUDDMHSNG-UHFFFAOYSA-N 463.419 2.500 50 10 JFGE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1S(=O)(=O)CI 1986735970 LRDYKALXCSQGEM-SNVBAGLBSA-N 468.304 2.723 50 10 JFGE C[C@@H]1C[C@H](CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046019409 NWEKODHLBRQGBV-LPMFXHHGSA-N 475.380 2.694 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@@H]1CBr 2046030350 XMJSICGXHUYEEA-AZOIQLNYSA-N 475.380 2.884 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)OC2(CCC2)C1 2165765034 KRHKQABXKYRYDZ-HNNXBMFYSA-N 454.976 2.501 50 10 JFGE O=S(=O)(C[C@@H](Br)c1cc(I)ccc1F)N1CCOCC1 2169668487 QLEYWTWDFVIWCG-LLVKDONJSA-N 478.121 2.528 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccc1Cl 2243663362 GYXVXFMWXIWBKS-CQSZACIVSA-N 464.714 2.886 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1I 12488441 DJAHGCJLVQBNDZ-UHFFFAOYSA-N 454.264 2.757 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N 40785068 NKRZTCBJKDYLAK-UHFFFAOYSA-N 462.297 2.888 50 10 JFGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217182268 UWTQUYFCYIFBIZ-JUJXNAJKSA-N 468.579 2.595 50 10 JFGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 690168151 BHQMNNUCIFPZBQ-MRXNPFEDSA-N 457.390 2.744 50 10 JFGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cccc(NC(=O)[C@@H]2CCCO2)c1 728549711 RGGFRHRMGWAFOX-INIZCTEOSA-N 450.264 2.781 50 10 JFGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 1084188408 VUHJODNTZBVYCW-UHFFFAOYSA-N 474.517 2.788 50 10 JFGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)c1ccc([N+](=O)[O-])cc1 1084379312 ZQCTYQYKOGFTGX-UHFFFAOYSA-N 453.371 2.978 50 10 JFGE CC(=O)[C@@H]1CC(C(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)=NN1c1ccccc1 1632249113 KXGJERRWFVORNK-KRWDZBQOSA-N 454.430 2.647 50 10 JFGE CC(C)(CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539877 CDAOFPOCOFNLCX-SFHVURJKSA-N 463.369 2.741 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@H]1C1CC1 2013979962 PFTXHHJBVNLHGY-DLBZAZTESA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]12CCC[C@]1(CBr)C2 2086663742 FKNUWXKVRMMYGQ-WOJBJXKFSA-N 469.401 2.938 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C1 2106777083 PBNJLSJXUHIYCS-CANCMXDXSA-N 451.438 2.813 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@]1(C)CBr 2253435142 LSONHCHHZJDLQD-RTBURBONSA-N 473.364 2.756 50 10 JFGE C[C@@H]1[C@@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2304164245 MMQZLRJMQLWIHH-VBQJREDUSA-N 457.390 2.886 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2308992190 CHDMAXBYFODBHX-LTGQISBOSA-N 473.364 2.588 50 10 JFGE COC[C@]1(CCl)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2379851921 PBRMSZYSAIRGAT-OAQYLSRUSA-N 454.976 2.669 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 14037989 VLHDQHDIUBFADO-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1 14655627 CWPCALDNYVIAHW-UHFFFAOYSA-N 482.356 2.571 50 10 JFGE O=C(CNC(=O)c1ccccc1F)N/N=C/c1cc(Br)c(O)c(Br)c1 27519884 VBSVCBWEUGZFDN-QPSGOUHRSA-N 473.096 2.936 50 10 JFGE Cc1nc(C)c(C(=O)N/N=C\c2ccc3c(c2)OCO3)cc1C(=O)N/N=C\c1ccc2c(c1)OCO2 33513710 RIEYSVWNTAULFZ-URLBMPHISA-N 487.472 2.684 50 10 JFGE Cc1cccc(OCC(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)c1 100146747 VCAYUUBPKXEWHT-URGPHPNLSA-N 470.529 2.600 50 10 JFGE Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl 101570084 JTYSIHLLZYJXCF-UHFFFAOYSA-N 462.297 2.645 50 10 JFGE Cc1ccc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 252460345 DRUWEAMCEOPMFZ-JOCHJYFZSA-N 484.472 2.761 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCC1 717583608 OSWNFFIFZNIQNQ-INIZCTEOSA-N 457.390 2.792 50 10 JFGE Cn1ncc(C(=O)NC2(CCBr)CCSCC2)c1I 719728679 VQBVGVRODOIXHS-UHFFFAOYSA-N 458.163 2.805 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 746184403 JTDNKNCRFUDTCD-UHFFFAOYSA-N 450.444 2.703 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)CCCN1C(=O)OC(C)(C)C 1540360980 LNPXIOWJTNHECX-XDHUDOTRSA-N 459.543 2.793 50 10 JFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770703 SSPXRXHBDOOTAU-CQSZACIVSA-N 490.607 2.695 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771655 CJZFHQDOXOQMAD-LSDHHAIUSA-N 498.605 2.941 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H](CBr)C1CCC1 1942314932 FZRXFBGTUVEXCK-OAHLLOKOSA-N 457.390 2.793 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1(C)CC1 1945360620 GQWRUOMBNJCEOI-OAHLLOKOSA-N 457.390 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C[C@H]1CC(F)(F)F 1983328655 ADMBVVXEBHMKNP-SECBINFHSA-N 472.267 2.582 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2025368341 PYCPQDFNWJKGPD-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 2046027118 AINHFJRDJUCPFT-MAUKXSAKSA-N 473.364 2.590 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2054666533 KGYARSLPVOKHNE-KSMMKXTCSA-N 475.380 2.884 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(I)c(Br)c1 2231677807 JEWOCJQJEWEMCO-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE O=C(CNC(=O)c1ccncc1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2295879997 MKGMQLYQWMIBBQ-UHFFFAOYSA-N 497.305 2.936 50 10 JFGE C[C@H](COc1c(I)cc(Cl)cc1I)C(=O)NN 2301612131 SDKVHWMPTHBQNO-RXMQYKEDSA-N 480.471 2.554 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1cc(Br)ccc1I 2303457994 AVEZTCAKBBPYMU-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE CCOc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2I)cc1 32476686 IPVRGVMFILTQBP-UHFFFAOYSA-N 455.208 2.673 50 10 JFGE COC(=O)C1CCN(c2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])CC1 40658752 NKSOQMMLCHPXEY-UHFFFAOYSA-N 450.455 2.684 50 10 JFGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(c2ccccc2)CC1 40727090 DRKZUEZEGIVDBZ-UHFFFAOYSA-N 468.359 2.905 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)cc1 58885511 SDJZCUGDEIMZGA-MFKUBSTISA-N 480.546 2.692 50 10 JFGE COc1ccccc1/C=N/NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 58990282 QRWOAKDPCYCNFW-LPYMAVHISA-N 455.500 2.598 50 10 JFGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 217257758 CYEGTIIWVOJEFC-UZYVYHOESA-N 453.587 2.727 50 10 JFGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(OC(C)C)cc3)nnn2-c2nonc2N)c1 254375929 KKRWKJLUBOWVIH-UHFFFAOYSA-N 476.497 2.849 50 10 JFGE C[C@](CBr)(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 703978543 BONAZNIPYNYARF-HXUWFJFHSA-N 465.369 2.902 50 10 JFGE Cc1noc2ncc(S(=O)(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc12 726765040 UAXJLZVJPXVQOR-UHFFFAOYSA-N 456.455 2.873 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cc(C(=O)OC)ccc1Br 1625226852 HULXBCSLBIXQOJ-AWEZNQCLSA-N 454.321 2.986 50 10 JFGE CCc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771750 GRSNLYKSJLPMMJ-HUUCEWRRSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2010505665 GSOJSWMFHDETOF-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)sc1Br 2057676423 YSZXCHVUKIWIKS-RITPCOANSA-N 482.013 2.563 50 10 JFGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CCC(Br)CC2)CCCCC1 2106305650 QQRDTOYOJWZDIL-UHFFFAOYSA-N 454.431 2.908 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179952274 KCLUYIGPJBRFQT-QGZVFWFLSA-N 467.376 2.713 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2243685476 VPIINAFVBCFRCU-GJZGRUSLSA-N 464.352 2.532 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310041373 UKDVUMNEMPLHED-LBTBCDHLSA-N 469.401 2.934 50 10 JFGE N#CC(=CN1CCN(c2ncccn2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608320 OQRGFHXXXLGVDK-UHFFFAOYSA-N 493.615 2.940 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 2354663848 VORRVUWFGFILQH-JDSLSITLSA-N 470.872 2.690 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2364016931 DZKTXWSJJUUQRL-FXQIFTODSA-N 471.975 2.712 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1OCC(N)=O 97990759 XNGHYKMBXLDLKN-YBEGLDIGSA-N 470.913 2.595 50 10 JFGE Cc1ccc(COc2ccccc2/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1 169921289 FJXFSHVSEMZIFY-MXAYSNPKSA-N 457.494 2.619 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)c1 1624402578 TVJHVFZPLKATCP-UHFFFAOYSA-N 450.520 2.565 50 10 JFGE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NS(=O)(=O)CI)C(C)(C)C 1983328364 WPWZXQAGKMFNAR-STFLBKPXSA-N 482.406 2.746 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531709 DHODNLQQGPAXKF-VBHSOAQHSA-N 461.353 2.588 50 10 JFGE CN([C@@H]1CCCC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028226 HCDZSQGJNLTYQT-FRQCXROJSA-N 475.380 2.979 50 10 JFGE COC1(CCNS(=O)(=O)CCC(CCl)CCl)CN(C(=O)OCc2ccccc2)C1 2111364332 HNIPNKKCQKPWFX-UHFFFAOYSA-N 467.415 2.817 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 2324312640 ASLCIISREJQCEA-UHFFFAOYSA-N 490.925 2.517 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 14024161 XAHNLCKRXRKFPA-UHFFFAOYSA-N 469.563 2.843 50 10 JFGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709431803 QSLXDQMYUPKJGE-VHSXEESVSA-N 478.000 2.994 50 10 JFGE O=C(CNC(=O)c1ccc2c(c1)OCO2)NN=Cc1cc(Br)cc(Br)c1O 1565517511 HMSXXUKKZWLXAX-UHFFFAOYSA-N 499.115 2.526 50 10 JFGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858956917 YFCGQUKDRWKQDJ-UHFFFAOYSA-N 474.426 2.536 50 10 JFGE Cc1ccccc1/C=C(/C=O)N=c1[nH]c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2s1 1859486852 VNGNTKOZCMPNLY-AQTBWJFISA-N 456.593 2.615 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866808447 SRZCEYOGPNDXOE-UHFFFAOYSA-N 488.591 2.915 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1 1873777348 GGJHVWGBDWDZFQ-FQEVSTJZSA-N 483.528 2.873 50 10 JFGE Cc1c(B(O)O)cc(C=O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521918 PACMCVGMQJQLBX-UHFFFAOYSA-N 470.334 2.558 50 10 JFGE C[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2108186045 OHCMLCQQCVJKIQ-KGLIPLIRSA-N 454.431 2.810 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2162601226 LCVXNOOGEUVYEZ-SQWLQELKSA-N 466.442 2.716 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188889517 YQMHZBHONMLNJR-WOJBJXKFSA-N 456.450 2.935 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 2313611004 ULKYGKMXKLFOAF-UHFFFAOYSA-N 452.248 2.783 50 10 JFGE CC[C@]1(C)[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2315138968 MKCIREVDJRJPSQ-KFKAGJAMSA-N 475.380 2.979 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cnn(C(C)C)c2I)c1 1303280358 GLQSMZOUBDCLCP-UHFFFAOYSA-N 453.309 2.681 50 10 JFGE C=CCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=NNC(=O)Cc1ccccc1 1772718675 KMTUNXBVPXCCBQ-ZWPOCWBHSA-N 451.504 2.882 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CCCC5)c(C)nc2c1 1860772478 ZVMRFGTUMKUQCM-AWEZNQCLSA-N 464.551 2.624 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 1942097666 JGLPEIYVAHZQSS-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCl)CC1CCOCC1 2195504507 PSVQRKFNFKIKEU-KRWDZBQOSA-N 456.992 2.796 50 10 JFGE C[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)Oc1ccc(B(O)O)c(C(F)(F)F)n1 2223652699 KTZMLPDKTYSGMM-AWEZNQCLSA-N 454.254 2.985 50 10 JFGE CN1CCC(CBr)(NC(=O)c2cc(I)ccc2O)CC1 2380725676 AVGGXLKXIKGKGC-UHFFFAOYSA-N 453.118 2.586 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC 10038222 NVMSQEVNYWDNPU-UHFFFAOYSA-N 481.958 2.697 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1Br 13981118 XXZVTDVPFUOASR-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CC(C)C 13982715 RROCGVBKMUIMSS-UHFFFAOYSA-N 481.210 2.967 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1ccc(I)c(Cl)c1 234597146 VPFWPGWRBOLIST-SECBINFHSA-N 493.466 2.651 50 10 JFGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1nc(Br)cn2ccnc12 1472522993 ACXCJWJBGRAZEC-JTQLQIEISA-N 459.732 2.971 50 10 JFGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NCCOCCI)CC1 1904643394 VQLHNIYJMQVFFU-UHFFFAOYSA-N 460.378 2.841 50 10 JFGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531686 DBDXKDCATAXILN-XIKOKIGWSA-N 461.353 2.588 50 10 JFGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027917 DKISKHRUPWMDBF-IECZYAKXSA-N 475.380 2.834 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283915179 AGWFOEOVKASLGG-MHZLTWQESA-N 498.388 2.814 50 10 JFGE C[C@H](Br)[C@@H]1C[C@@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116989 KWWANJKPONKGSX-JQFCIGGWSA-N 457.390 2.934 50 10 JFGE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cccc(B(O)O)c1 2319280937 RIMMKKDKYHPBLH-KRWDZBQOSA-N 470.334 2.615 50 10 JFGE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C(C)=CC#N)c1C 2331562170 NYNCFYPTHOSMBK-UHFFFAOYSA-N 468.447 2.913 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2364015573 QPJTUUJTKRJIOV-IMTBSYHQSA-N 471.975 2.760 50 10 JFGE Cc1ccc(NC(=O)C(=O)N/N=C2/C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)cc1 3144190 OSYGRIVHZAOCAV-BYNJWEBRSA-N 469.501 2.748 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOCC)cc2)cc1 9821929 WFZKRVUAHXHTQT-UHFFFAOYSA-N 472.567 2.790 50 10 JFGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c1 13999196 ISAOLOYAEDIZPJ-UHFFFAOYSA-N 471.579 2.660 50 10 JFGE COc1ccc2oc(=O)c(C(=O)Oc3ccc(/C=C(\C#N)C(=O)N4CCOCC4)cc3OC)cc2c1 41018425 KCZLNZZLKDVPSK-WOJGMQOQSA-N 490.468 2.795 50 10 JFGE C[C@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 217050415 RWTNNHFCVLRWGM-IWXZPIAGSA-N 456.612 2.595 50 10 JFGE CCCc1c(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)nnn1-c1nonc1N 254612656 VLGYYGLBRGBYND-UHFFFAOYSA-N 476.497 2.537 50 10 JFGE CCCCN1C(=O)C(=NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c2ccccc21 254866960 YUTGMWZSLOQNQI-UHFFFAOYSA-N 456.568 2.998 50 10 JFGE CCCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254878129 YJWASNRKIRCACK-UHFFFAOYSA-N 490.480 2.571 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H]1CBr 703991289 SLYGTGJTIYSYSR-CZUORRHYSA-N 457.390 2.792 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 726769135 GQXYRJDTODRBAR-BWCLHNGZSA-N 492.624 2.968 50 10 JFGE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)c1cccc2cccnc12 730773512 DOEGDXFSIACAQZ-KRWDZBQOSA-N 451.870 2.554 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(F)c(F)cc2F)cc1 1295114434 FZSGSZUEOLCFFX-LJQANCHMSA-N 455.458 2.993 50 10 JFGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002033948 BZWZGRUVFNWOIC-PBHICJAKSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058375184 YNIGWTMGBGVHBN-MCBIMKKHSA-N 473.364 2.588 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)ccc1Br 2121339011 WUPUAZFVFBTPLR-NXEZZACHSA-N 475.984 2.502 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179956175 LFLXKTURZAMTDV-IAGOWNOFSA-N 467.376 2.712 50 10 JFGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293644717 UNHDJFMXVJCIBS-UHFFFAOYSA-N 474.429 2.950 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2CC1(CBr)C2 2299747914 PYHAOZSHTFPPAN-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCSC[C@@H]1CBr 2316823106 XXLOAUGRAJWAQO-HNNXBMFYSA-N 489.457 2.985 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCOCC1 2353569537 TWWMBBIWEQPUEE-UHFFFAOYSA-N 487.416 2.515 50 10 JFGE COc1ccccc1NCc1nnc(SCC(=O)NNC(=O)C(F)(F)F)n1-c1ccccc1 20831337 KBGWFXVVMOKQGK-UHFFFAOYSA-N 480.472 2.690 50 10 JFGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)C1 34688957 LTWHQPOXHJTUBD-UZNZLNSGSA-N 489.532 2.599 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)ccc1Br 234583674 LNTACHTWEUHZEL-VIFPVBQESA-N 490.917 2.918 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084414336 PJLCEIYOFDNXRB-UHFFFAOYSA-N 451.504 2.803 50 10 JFGE COc1ccc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC 1858081955 UIDQGZUFUMLOPD-UHFFFAOYSA-N 451.501 2.674 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)cnc2s1 1865845449 QIKFZMDNNYMMMU-UHFFFAOYSA-N 491.367 2.593 50 10 JFGE CC(C)[C@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543082 LWAHOSAEUOZYGJ-QAPCUYQASA-N 463.369 2.740 50 10 JFGE CC(C)[C@@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002414788 XGDJOCJHZPROHB-INIZCTEOSA-N 459.406 2.990 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 2041459842 KHXMVHGKTMCAFN-QRWLVFNGSA-N 469.401 2.890 50 10 JFGE CC1(C)CC[C@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021076 ZAQHLCRKUSJXMR-ORAYPTAESA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2162590791 FPOGQJZRXPLUTI-QAPCUYQASA-N 466.442 2.860 50 10 JFGE O=S(=O)(C[C@H](Cl)c1ccc(Br)cc1I)N1CCOCC1 2207266696 BDUROVRYHBZJMG-NSHDSACASA-N 494.576 2.996 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2256629259 RREPBZITCWDNKF-FYSMJZIKSA-N 492.406 2.998 50 10 JFGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 2324826079 QKKDOEWCZPWRBB-UHFFFAOYSA-N 460.559 2.779 50 10 JFGE FC(F)(CI)C(F)(F)CNCc1ncc(I)cn1 2327884069 SJXMXGRPDONTFB-UHFFFAOYSA-N 488.992 2.876 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c(Br)c1 13977650 LXJWZYCHBRWWBB-UHFFFAOYSA-N 467.316 2.877 50 10 JFGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)NNC(=O)c2ccncc2)cc1 20288785 RJUAETMOOWFRGR-RCCKNPSSSA-N 472.461 2.958 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1ccccc1C 169918802 AKYCJDSQKMASNL-CFRMEGHHSA-N 450.451 2.953 50 10 JFGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959106 WVAFWBWCWROAMW-ZIAGYGMSSA-N 457.390 2.744 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726133625 NXRAFUXMTCEXTB-UHFFFAOYSA-N 462.938 2.887 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851442 BRCKUJGWKHMWNE-JKSUJKDBSA-N 496.589 2.935 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)CI)C1 1983327522 NJGQNFOUTFDPCG-LBPRGKRZSA-N 452.314 2.665 50 10 JFGE CC(C)C[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541869 JCWPNMCWXJCYAK-FZKQIMNGSA-N 463.369 2.740 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2256624100 UOXXKUQLEHNAQT-GYCJOSAFSA-N 473.338 2.653 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 2295934262 REQFPSQEYFFPJT-UHFFFAOYSA-N 470.532 2.956 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310038580 AXTZGCCECCAIEI-PYTWLRIVSA-N 469.401 2.790 50 10 JFGE CCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 19651372 IFXCGVCNQGBELQ-HKNSOBRKSA-N 455.540 2.535 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)NNC(=O)C1CCC1 59880815 GMSAJJQJBRSSPB-ZMOGYAJESA-N 479.566 2.869 50 10 JFGE CC(CBr)(CBr)NS(=O)(=O)c1cncc(Br)c1 126520581 KHVJLVHIXJCGQM-UHFFFAOYSA-N 450.978 2.671 50 10 JFGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1coc2ccc(Cl)cc2c1=O 1084024376 OEZACMNMPNCOMZ-UHFFFAOYSA-N 454.291 2.528 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC[C@H]1CCCO1 1084125065 DQWIJMSEASDDQH-OAQYLSRUSA-N 474.517 2.603 50 10 JFGE C=CCC[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2019480191 JBUQCDGLKRMVGS-ACJLOTCBSA-N 461.353 2.660 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2106776279 GEVKRVPCPUFGEH-AWEZNQCLSA-N 452.415 2.612 50 10 JFGE C[C@@H]1[C@@H](Br)C[C@H]2CC[C@H]1N2S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108228272 OIQJMYALBVKQAC-XMAFOEEVSA-N 487.391 2.977 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2181159284 QXVQHQPMLCSZGH-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE C[C@@]1(CBr)C=CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2253435139 LSONHCHHZJDLQD-MOPGFXCFSA-N 473.364 2.756 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2257379718 JUKAYBVRWIQZQQ-QHCPKHFHSA-N 492.406 2.998 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 2314808175 NTXAGXRCOAZAOQ-UHFFFAOYSA-N 481.461 2.662 50 10 JFGE O=Cc1ccc(Sc2cc(I)ccc2Br)cc1B(O)O 2365158605 MIAITZSSBJDHJR-UHFFFAOYSA-N 462.899 2.697 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(OC)cc2)c(Br)c1 13979151 WVBFLUBUACFLSI-UHFFFAOYSA-N 480.384 2.664 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 14770964 PPVVAYULSSNXMY-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COCCCNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 726076378 RKCJGTQIZQTYDQ-UHFFFAOYSA-N 499.058 2.648 50 10 JFGE COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 798149041 DXODIGKYKCBCHK-UHFFFAOYSA-N 464.496 2.876 50 10 JFGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1135239650 OJWRBPFXGCDISS-KTKRTIGZSA-N 455.334 2.508 50 10 JFGE CC(=O)c1cc(Br)cc(F)c1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 1165965589 RGCPHAOBZWXISC-UHFFFAOYSA-N 454.208 2.539 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1 1623062135 PNCPRFLHOKQOMK-AEFFLSMTSA-N 454.527 2.903 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@H](N)C(=O)O)/C(=C/C(=O)O)C1 1848438450 BHQAMABUPJQDIU-QDWSBGCMSA-N 489.015 2.823 50 10 JFGE COc1ccc(OCCCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771781 HRRPVCDETSOWJI-HNNXBMFYSA-N 484.578 2.913 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866595327 UGQGARSQJJTCGQ-IBGZPJMESA-N 468.560 2.954 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867081100 QYHDIQRMRZOXSX-FQEVSTJZSA-N 499.593 2.898 50 10 JFGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 1873792288 ADPDKAYCSJWBRN-AUEPDCJTSA-N 467.279 2.874 50 10 JFGE CN(C[C@H]1CCC[C@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098094 LLXVWXIJYIKBIY-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC(=O)N2CCC(Br)CC2)CC1 2163659083 ARRGQWQHKFWHMD-MHZLTWQESA-N 467.430 2.921 50 10 JFGE CC1(C)CN(Cc2ccccc2)CCN(S(=O)(=O)c2cnn(CCBr)c2)C1 2179824301 SVSWORKPBSKXBT-UHFFFAOYSA-N 455.422 2.811 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179946750 JSORVYBJPMWIGV-AQNXPRMDSA-N 456.450 2.792 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2243679278 VPIINAFVBCFRCU-GJZGRUSLSA-N 464.352 2.532 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2256617426 JXLOTZVGYHUTMC-VOIUYBSRSA-N 473.338 2.653 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OC2CCN(S(C)(=O)=O)CC2)C1 2270095350 RBQSCGSZEQIXMD-QGZVFWFLSA-N 455.415 2.592 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)[C@@H](CBr)C1 2316826295 XVTGMPBAMYFPFY-WMLDXEAASA-N 475.380 2.838 50 10 JFGE NNC(=O)[C@H]1CC[C@H](CSc2cc(I)ccc2Br)O1 2338340412 ZRJDBCHCXSTKPP-PSASIEDQSA-N 457.131 2.683 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2339938695 NZEYITCBCLCNJC-VWLOTQADSA-N 484.361 2.963 50 10 JFGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 102687623 LYMBHAGMRVKOLS-YVWUKRILSA-N 464.547 2.955 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217172925 CTUKKIOWQHKFTF-PFONDFGASA-N 476.942 2.828 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(O)c2)Cc2ccccc2)cc1OC 1084600640 QUEMFNBZFPOYOM-UHFFFAOYSA-N 483.546 2.751 50 10 JFGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098319 NAJUFRLYZGXFOO-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2103383059 AMNCLFACGSKHPI-QGZVFWFLSA-N 487.416 2.657 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2106773988 NUKHCXGAKBNIBK-ZIAGYGMSSA-N 454.431 2.573 50 10 JFGE CN(C(=O)c1cnn(C)c1I)[C@H](CCBr)C(F)(F)F 2122008652 KDHFMCZTJWIVOZ-SSDOTTSWSA-N 454.028 2.813 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(C2COC2)S(=O)(=O)c2ccc(CBr)cc2)C1 2163058279 JFHIECYLCRJESQ-UHFFFAOYSA-N 461.378 2.590 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCN(CCCBr)CC1 2169936866 NOAFIGCJWLJYKP-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE O=S(=O)(N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)N1CCCC[C@H]1CBr 2179813960 ZVSFCOAQUCHKMO-AQNXPRMDSA-N 456.450 2.935 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2188887437 RZHLAGRYOVPYGN-PKOBYXMFSA-N 453.406 2.563 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCCC[C@H]21 2217355746 XDIHBIPYASAYOQ-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 2313624782 FSNAUZGQYJIZSS-UHFFFAOYSA-N 454.552 2.766 50 10 JFGE COC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12500844 AOQYVNFZKFYMSQ-UHFFFAOYSA-N 484.578 2.825 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14770913 POWLQSILMURYCW-UHFFFAOYSA-N 452.330 2.562 50 10 JFGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658165 DCIDPOSZETYUOD-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE N#CCOc1ccc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 254633268 QFZPGFMCDNLTGQ-UHFFFAOYSA-N 493.501 2.843 50 10 JFGE COc1c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(C=NNC(N)=O)c2c(c1OC)OCO2 254759395 MNCBHQAUICNRSJ-ZDUSSCGKSA-N 460.874 2.824 50 10 JFGE C[C@@H](Br)[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 719785311 CLYGYOKKAZTBKJ-KGLIPLIRSA-N 457.390 2.744 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860771777 HMVIJGANZYSHNC-CABCVRRESA-N 468.579 2.933 50 10 JFGE Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961105 IYPODKTXOYAPQD-DLBZAZTESA-N 455.946 2.778 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2022922402 ZUJXYAJEZJCEAJ-CABCVRRESA-N 477.649 2.593 50 10 JFGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050369821 RJHNXUCKDTVVNF-BZNIZROVSA-N 485.322 2.739 50 10 JFGE C#CCn1ncc(NCCSSCCNC(=O)OC(C)(C)C)c(Br)c1=O 2125302136 OJCZFUGGCSRITK-UHFFFAOYSA-N 463.423 2.957 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2162590790 FPOGQJZRXPLUTI-MAUKXSAKSA-N 466.442 2.860 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179817191 OJWWHAWZRZPCMU-VQTJNVASSA-N 456.450 2.792 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508875 OZVDODRIHUEZBM-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2248415524 BNCFNTZJTIDPJM-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE O=C(NCCCC(=O)N1CCc2c(B(O)O)cccc21)OCC1c2ccccc2-c2ccccc21 2257377118 ARGRZKNRFVJNMY-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2269551137 XSRXCYAGSSEBDS-SANMLTNESA-N 486.377 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCSCCBr 2301116824 JHWWPQPKDWQVKB-UHFFFAOYSA-N 477.446 2.891 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCC#CCBr 2303681970 KFYLSOMORRACFW-UHFFFAOYSA-N 455.374 2.551 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 10154452 PJZYBSQGTZKFMY-KRWDZBQOSA-N 459.568 2.822 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc(OC)c1OC 12573153 ZXSHPOGEDWRPJP-UHFFFAOYSA-N 482.356 2.733 50 10 JFGE N#C/C(C(=O)CSc1nnc(SCC(N)=O)s1)=C1/NC(c2cccs2)=CS1 207976465 CWEVXHSQDKUVBE-MDWZMJQESA-N 453.621 2.908 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2nnn(Cc3ccccc3F)c2C)cc1 1562792085 ZZJHARDJVHKYAY-OAHLLOKOSA-N 454.462 2.597 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)c1 1651317300 GRZGKPPEVNYUDP-SFHVURJKSA-N 456.955 2.952 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106295389 GRNHHWQBLPKQOW-CQSZACIVSA-N 454.431 2.717 50 10 JFGE O=C1CN(C(=O)c2c(Br)cccc2Br)CCN1CCBr 2171076695 IHMMDWWMKSUBMZ-UHFFFAOYSA-N 468.971 2.891 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179866164 CNIFSNCSIYVGNS-IBGZPJMESA-N 455.374 2.840 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248400937 CUDNTHYUXWFIDO-INIZCTEOSA-N 478.379 2.622 50 10 JFGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 2323419445 GRJBCULBYIMRPS-UHFFFAOYSA-N 460.515 2.994 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CN(CCOCCI)C2(CCOCC2)C1 2326641348 KVEJHXKCBMEZNU-HNNXBMFYSA-N 468.376 2.834 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2364029405 PJIMBFIONHCFHH-GJMOJQLCSA-N 471.975 2.712 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@H]2OCC[C@H]21 2364212706 ZVNUJJVWYIPFBV-KFKAGJAMSA-N 454.976 2.643 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(I)c1OCC(=O)O 6906491 ULGNYFAOFLSXEJ-XGICHPGQSA-N 482.230 2.580 50 10 JFGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1084207797 KHWVMVCCLBDSCY-UHFFFAOYSA-N 453.528 2.708 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2)C1 1872962414 STYAJLLYCLGMJC-SFTDATJTSA-N 490.608 2.807 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304957 KNAQGCWNCMEDKL-HUUCEWRRSA-N 454.431 2.906 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CCNC(=O)OC(C)(C)C 2106776578 JMMNIXFRHMWUKN-KGLIPLIRSA-N 454.431 2.573 50 10 JFGE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2107340453 FLSLCZWRZLQIHB-UKRRQHHQSA-N 454.431 2.668 50 10 JFGE CC(C)(C)OC(=O)N1CC(c2csc(NS(=O)(=O)N3CCC(Br)CC3)n2)C1 2201914960 UEUPSRLLCLEELF-UHFFFAOYSA-N 481.438 2.993 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(CCCBr)C1 2216742899 SIMBOFVGTBYWEP-UHFFFAOYSA-N 457.390 2.746 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@@H](CI)c2cccc(Br)c2)C1 2285602030 DGCIHZAQTTUSRZ-STQMWFEESA-N 474.158 2.976 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 2313625054 SSDYRTZFOMDUIY-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)CCOC[C@@H]1NC(=O)OC(C)(C)C 2325066229 VUWAFPALYRPATC-XOBRGWDASA-N 495.664 2.619 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325893257 YCTZAXBNKBYTSY-HNNXBMFYSA-N 496.589 2.851 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1C 15092918 IDZYJSYLZCUFNE-UHFFFAOYSA-N 468.579 2.657 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206609499 BZXAFZTVBBLEEK-WDZFZDKYSA-N 469.523 2.928 50 10 JFGE COc1ccc(O)c(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c1 1084166284 GBKGBDVEEPVUGB-UHFFFAOYSA-N 454.556 2.514 50 10 JFGE Cc1cc(Cl)ccc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962073 PGIWOPZAWZVRNB-DLBZAZTESA-N 455.946 2.778 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CNS(=O)(=O)CI)CCC[C@@H]12 1895469056 HPKAUDLJNQPBOH-IUODEOHRSA-N 458.362 2.868 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCCI 1978678198 RBZHURWJMBOBAN-KRWDZBQOSA-N 496.342 2.536 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 2030220341 UGCPMOFLWXMFLA-SJORKVTESA-N 469.401 2.744 50 10 JFGE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(CBr)cc1 2044692245 YMAKGLUKMHSTHK-XMMPIXPASA-N 455.396 2.893 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)CC1 2106775006 SUHDVKMIKUJFDM-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2108234103 MCWJGQFUVFFPTF-KUHUBIRLSA-N 487.391 2.980 50 10 JFGE O=C(NOCCCNC(=O)c1cccc(Cl)c1B(O)O)OCC1c2ccccc2-c2ccccc21 2256105021 HXIADLJWMGDBSA-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2CCCCI)CC1 2256382220 OVPXXZVOTLMMSJ-OAHLLOKOSA-N 465.376 2.745 50 10 JFGE Cc1cc(B(O)O)c(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)s1 2256597805 KBRIGESDACBSRW-XMMPIXPASA-N 492.406 2.916 50 10 JFGE CCOc1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1OC 2323172435 CHZZIIDSSMEUET-QGZVFWFLSA-N 455.496 2.674 50 10 JFGE COc1ccccc1C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016407 USOHQFZNOOXFJJ-UHFFFAOYSA-N 457.552 2.677 50 10 JFGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2c(C)nn(-c3ccc(Cl)cc3)c2O)C1=O 38186775 CGIUJLWPCGOGBN-YVLHZVERSA-N 454.870 2.695 50 10 JFGE CCOc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1O 59463985 UADBAUTWBIMRPC-AFUMVMLFSA-N 467.547 2.959 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109575 SIQSGMJERHLULM-CFRMEGHHSA-N 475.347 2.585 50 10 JFGE C/C(=N\OCC(=O)NN/C=C1\C(=O)C([N+](=O)[O-])=Cc2oc3c(c21)CCCC3)c1ccccc1 137210956 IWBFIUDHYUQQJE-LHHGBPNOSA-N 450.451 2.761 50 10 JFGE COc1ccc(Br)c(C(=O)NNC(=O)CCn2cnc3sc(C)c(C)c3c2=O)c1 728529733 MLYGULDCZPTKOD-UHFFFAOYSA-N 479.356 2.697 50 10 JFGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112608 FHZVJYIUAJCAEG-GOSISDBHSA-N 465.597 2.787 50 10 JFGE C=CCOc1ccc(C=NNC(=O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1 916354640 HCTLEIQHQUOGHE-OAQYLSRUSA-N 487.578 2.668 50 10 JFGE Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Cl 1872962071 PGCUJCKMLZOSDA-IRXDYDNUSA-N 455.946 2.778 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CI)[C@H]1C(F)(F)F 1903070197 SQFVDIGYRYYFBN-BDAKNGLRSA-N 472.267 2.629 50 10 JFGE C[C@@](CBr)(NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(F)F 1998356887 MFXFVEBYSWIWED-KRWDZBQOSA-N 467.332 2.791 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC[C@H]1CCCC[C@H]1Br 2009451137 JVWZSTHYGVWOBF-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE CN(C1CC(CBr)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018082221 QOAHVZYCAKJSMU-UHFFFAOYSA-N 457.390 2.744 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CI)[C@@H](C(F)(F)F)C1 2243188571 FKAFOTBRSHFEIY-DTWKUNHWSA-N 472.267 2.629 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(Cl)ccc1B(O)O 2243906055 VZFNISMCLPHHKL-UHFFFAOYSA-N 464.714 2.887 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2256562777 FYQRBQSBLDXORB-AUSJPIAWSA-N 469.401 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@H]2C1 2289338576 NGVOITWJDOVLNY-BXWFABGCSA-N 454.976 2.501 50 10 JFGE O=C(NN=C1C(=O)Nc2ccc(F)cc21)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2297289471 ZCMZLHWNCNPMSS-UHFFFAOYSA-N 473.420 2.977 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 2316822007 MFHRLLGIQSEGRF-QRWLVFNGSA-N 469.401 2.890 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 13978843 WVQNDVUZBREVNZ-UHFFFAOYSA-N 484.578 2.929 50 10 JFGE CSc1nc(O)c2[n+](n1)[C@H](c1cc(OC(C)=O)ccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 261362549 KOKKNXOHRSYHRD-HXUWFJFHSA-O 468.471 2.606 50 10 JFGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 732578732 PEPDASHBVUHLFR-AQTBWJFISA-N 466.501 2.617 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc(OC)c1OCc1ccccc1 1873792890 RUNIGNGQSLWSDE-MZJWZYIUSA-N 488.500 2.849 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H]1Br 1883531047 LFIDIUAHRIGSJN-STQMWFEESA-N 450.374 2.648 50 10 JFGE C[C@H]1C[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1950518489 BODOINCTFITIDJ-GJZGRUSLSA-N 457.390 2.888 50 10 JFGE Cc1nc(I)c(NC(=O)[C@H](C)Br)c(I)n1 1975070120 HCDYFXMXSBLTBO-VKHMYHEASA-N 495.884 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@]2(CBr)CCC[C@@H]12 2000938871 WKRLZABBRQINHL-APWZRJJASA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)c1cscn1 2006869217 ISPJPFNIFBPJRD-CQSZACIVSA-N 472.386 2.575 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@@H]1NC(=O)OC(C)(C)C 2106775488 YJQTZKBSUQHDKZ-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE CC[C@@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2112705077 GCMCMPBUYZIVGU-HXUWFJFHSA-N 487.416 2.659 50 10 JFGE C[C@@H](Br)C[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2128863631 FTZAFHWRJVFWPH-HUUCEWRRSA-N 487.416 2.513 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1cc(Br)ccc1Br 2231678293 PXUYDXVHYOINHK-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 2325904139 IZZRLMMWGKLNHO-CYBMUJFWSA-N 470.551 2.759 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2329583056 RAOIWLNOYSJAIP-MJPMAJQWSA-N 487.391 2.979 50 10 JFGE COC[C@@]1(CBr)C=CCN1C(=O)c1cc(I)ccc1O 2379851514 JKHCYBKQQYZAQC-AWEZNQCLSA-N 452.086 2.789 50 10 JFGE CCOC(=O)/C(C#N)=C/C(C#N)=C(/N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20366423 CQNNKEBRNICGLP-GLKBESIRSA-N 454.840 2.583 50 10 JFGE Cc1cccc(CN2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)n(CCN(C)C)c(=O)c43)c3ccccc32)c1 39919010 AARZRNNDHJLQPX-LJAQVGFWSA-N 495.583 2.946 50 10 JFGE CCOC(=O)c1cccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])c1 40658061 ZGYQMOSFZQGAKE-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE COc1cc(C=NNC(N)=O)ccc1OC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 254513514 FJYQHIOUCOKROO-QGZVFWFLSA-N 460.490 2.887 50 10 JFGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3ncc4ccccc43)c2)c(C)c1 730514171 DTBYCPIXVACVLC-UHFFFAOYSA-N 477.546 2.915 50 10 JFGE COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(OC)c(OC)c3)nc2C)cc1 1865759066 GDOFKZJJSGKCMB-UHFFFAOYSA-N 451.479 2.923 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)C1 1872960342 BXQXHYLRBJQDAW-UXHICEINSA-N 457.534 2.970 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCC1 2000539588 BBKNBZSCJBWCAG-SFHVURJKSA-N 461.353 2.590 50 10 JFGE C[C@@H](CBr)CC1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2222871288 ZVUYJNKYFDMFRE-YJYMSZOUSA-N 475.380 2.694 50 10 JFGE O=C(NCCCC(=O)N1CCc2cc(B(O)O)ccc2C1)OCC1c2ccccc2-c2ccccc21 2269544663 IKWUKKPSSMZDNQ-UHFFFAOYSA-N 484.361 2.570 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2296377662 KAMJDSPDSKXHNZ-GXTWGEPZSA-N 452.086 2.623 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2364196837 FHFQCTLERDDGQQ-KKSFZXQISA-N 499.427 2.516 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Cl 2364201386 FRSMGWCFLXCRLX-SFHVURJKSA-N 454.976 2.645 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 10294139 WGYBVGRQDOUMNO-UHFFFAOYSA-N 482.562 2.941 50 10 JFGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40658835 URQQRWRXUXFPFD-UHFFFAOYSA-N 484.300 2.727 50 10 JFGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3cccc4ccccc34)c2N)cc1 40793257 PAEZDOOZKHVQKY-UHFFFAOYSA-N 463.523 2.583 50 10 JFGE CCCc1c(C(=O)NN=C(C)c2ccc(OCc3ccccc3)cc2)nnn1-c1nonc1N 254502117 YTELEQURMMLVCW-UHFFFAOYSA-N 460.498 2.918 50 10 JFGE CC(=NNC(=O)CSc1nnc(-c2ccccc2O)n1N)c1ccc(Br)cc1 1084196127 DKNFKQUPTCFVQB-UHFFFAOYSA-N 461.345 2.760 50 10 JFGE C[C@H]1C[C@H](Br)[C@H](C)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1944551606 TVWDWVQXSALYMZ-KEYYUXOJSA-N 457.390 2.886 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](CBr)CC1 2054666529 KGYARSLPVOKHNE-BIENJYKASA-N 475.380 2.884 50 10 JFGE CN(CCOCCNS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106305304 NITIHKDWUWRRRQ-UHFFFAOYSA-N 451.383 2.743 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1cc(I)ccc1Br 2303596919 LCXNVSDQFBNCCG-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)c(Br)c(Br)c1OC 2313556255 SUGFFUKTDRTWQA-UHFFFAOYSA-N 497.147 2.936 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2CC1(CBr)C2 2314956709 UUVHMRYLCKNGMP-HRJVKACCSA-N 473.364 2.590 50 10 JFGE Cn1nc(C(=O)NCC(F)(F)C(F)(F)CI)cc1Br 2336543161 GKEUBCNPNUJMJY-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CBr)C[C@H]1CCOC1 2364231278 XCSDKQAHMDDROQ-HTQZYQBOSA-N 473.991 2.865 50 10 JFGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629972 UJSYBFPEDFQKDI-AWEZNQCLSA-N 492.370 2.915 50 10 JFGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)o1 13978524 WGNMIUKFQHQDQL-SOFGYWHQSA-N 452.330 2.773 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccc(Cl)cc1Br 13979639 NSFJXVFBCGCESG-UHFFFAOYSA-N 458.652 2.616 50 10 JFGE CNC(=O)/C(C#N)=C1/S[C@@H](NC(=O)Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33558797 HWYCKSLWTCSFCG-SRMPHAGFSA-N 485.363 2.695 50 10 JFGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40658136 LKRIYBIHGIHLON-UHFFFAOYSA-N 452.387 2.752 50 10 JFGE Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)/C=C/c2ccccc2)cc1 59503241 XALMBAYQOXELDX-DTQAZKPQSA-N 481.555 2.879 50 10 JFGE COc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254669000 KHSYSOKNBLELKF-UHFFFAOYSA-N 478.538 2.996 50 10 JFGE C[C@@H](Br)CN(C1CC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965327 PYDCSZPMIYSDSC-CYBMUJFWSA-N 457.390 2.886 50 10 JFGE Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 912782196 AENXSHXXLKGEBU-UHFFFAOYSA-N 480.536 2.595 50 10 JFGE O=C(NN=Cc1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083940834 QCMAPFAODZAUER-UHFFFAOYSA-N 466.357 2.706 50 10 JFGE O=C(NN=Cc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084085082 NVTUNOIEKIYSON-UHFFFAOYSA-N 495.355 2.908 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c1 1637295015 IPIXXZNZYLTILF-PGRDOPGGSA-N 454.552 2.715 50 10 JFGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770702 SSPXRXHBDOOTAU-AWEZNQCLSA-N 490.607 2.695 50 10 JFGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2106303954 ZQAWJQUGVBQHOU-KGLIPLIRSA-N 454.431 2.716 50 10 JFGE C=CC[C@@]1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2250431574 UPSPQUNNDKIZJE-IBGZPJMESA-N 455.374 2.666 50 10 JFGE Cn1cc(Br)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)n1 2303542398 DAYHCEZVVUUXES-CYBMUJFWSA-N 481.210 2.831 50 10 JFGE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(C)(C)CI 2306810930 YOJUVDCFNKKMMN-CYBMUJFWSA-N 454.349 2.932 50 10 JFGE CSCC[C@@H](NC=C(C#N)C(=O)Nc1ccc(I)cc1C)C(=O)O 2325406077 TVKBLORMFQCGMI-CQSZACIVSA-N 459.309 2.742 50 10 JFGE COCCN(C[C@@H](C)Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338843745 BTWFQFDHFUOXQG-MRXNPFEDSA-N 489.432 2.905 50 10 JFGE CO[C@@]1(CCl)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2364202733 WDUAASFRWBPGNU-OAQYLSRUSA-N 456.992 2.893 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCCN1CCC(Br)CC1 2364229030 USWSOZACCYHNEU-UHFFFAOYSA-N 473.007 2.534 50 10 JFGE CCOc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)ccc1O 20923701 SLMKDSSPQHQTET-LSHDLFTRSA-N 489.945 2.562 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccccc1 40657250 RVLLCTVUFSOJSV-UHFFFAOYSA-N 472.259 2.661 50 10 JFGE COc1ccc(N(CC(=O)N/N=C/c2ccc(O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 58885499 NXQZANDRHPEPAO-MFKUBSTISA-N 499.545 2.764 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610876 PQZXGZAZFYCSFY-NHFJDJAPSA-N 458.518 2.991 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 703967976 WIKKPZCZTXXSMA-GJZGRUSLSA-N 471.417 2.992 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 727367301 JGQNIKISUKDLJN-UHFFFAOYSA-N 462.348 2.502 50 10 JFGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1OCC 1084332199 ISKNWQMIIAKYJG-NTUHNPAUSA-N 472.279 2.627 50 10 JFGE CC(C)(C)[C@H]1[C@H](Br)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2012892472 SEJGYAXRGNUWCN-HZPDHXFCSA-N 457.390 2.886 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046019411 NWEKODHLBRQGBV-TYILLQQXSA-N 475.380 2.694 50 10 JFGE CC(C)(C)OC(=O)N1CC2(CCCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2106776343 GUYFTVIGVQQLNN-UHFFFAOYSA-N 452.415 2.566 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189069989 ZDOQCIBQYVNGDQ-YFKFIEJBSA-N 454.077 2.912 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2268680630 VSVMQTLFYZSKTK-AREMUKBSSA-N 486.377 2.588 50 10 JFGE C[C@H](CC(=O)NN)Oc1c(I)cc(Cl)cc1I 2300926242 KELUVAOIFCHZQE-RXMQYKEDSA-N 480.471 2.697 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2301721083 WCGZSANYMYBXSA-QFIPXVFZSA-N 462.286 2.761 50 10 JFGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 2325889878 VFEWFWHRKQRJKZ-UHFFFAOYSA-N 460.515 2.994 50 10 JFGE Cc1nn(C)c(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2361679082 IDTWOXATEZSFED-UHFFFAOYSA-N 472.018 2.926 50 10 JFGE C[C@H](Cl)C[C@@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215433 TZEYMQFFDQCVBH-DLBZAZTESA-N 456.992 2.891 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cccs2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989913 UFGJWLRNHANGRZ-VXLYETTFSA-N 476.500 2.559 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3nc4ccccc4s3)c2C)C1=O 1476720612 QKRIYZXNFBLPMD-UHFFFAOYSA-N 452.496 2.860 50 10 JFGE C=CC[C@@H](CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2023602778 DKPQTLTVGYZKNB-HNNXBMFYSA-N 457.390 2.960 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2106785994 RWWSIKBPWCARBU-CABCVRRESA-N 451.427 2.660 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H](Br)C[C@@]2(CCCO2)C1 2120030215 BRCSLPNQURWQJZ-PELKAZGASA-N 457.131 2.906 50 10 JFGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 2296657759 PLZAEHHFPXRNDA-UHFFFAOYSA-N 468.513 2.892 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](F)[C@H](CBr)C1 2316826293 XVTGMPBAMYFPFY-PBHICJAKSA-N 475.380 2.838 50 10 JFGE CN1CCC(CBr)(NC(=O)c2c(Br)c(Br)nn2C)CC1 2381138200 MQHLVGHDICPCAY-UHFFFAOYSA-N 473.007 2.534 50 10 JFGE COc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1922153 LRHVCXYKSUGRPF-ODCIPOBUSA-N 485.132 2.806 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 13981195 NIBXTEYWNMEKRS-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ncc(O)nc3=O)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 504169301 QDDZYKQFTBFTMS-NQYYFHDYSA-N 487.702 2.559 50 10 JFGE biogenic CC(C)NC(=O)NNC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 745139242 DLYFCAPQKPSOPU-UHFFFAOYSA-N 480.306 2.825 50 10 JFGE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C1 912619393 HBLXRKLAGLBBQS-CVVKHNEKSA-N 485.581 2.924 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccncc1)CCC2 1772746183 SDLBOEIZXPMXHK-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE C=CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852207 PATIKOYJDLFBIG-UHFFFAOYSA-N 490.541 2.916 50 10 JFGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1866213808 DQPSIFTXSWSEIP-OBGWFSINSA-N 479.518 2.848 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C2CCC1(CBr)CC2 1942097274 HEPTWFRBBNDCBS-UHFFFAOYSA-N 455.374 2.785 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2065390508 KSKCSVLFSZTXHZ-ZIAGYGMSSA-N 469.401 2.744 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122790317 NCXLXRCCMWDOEL-CVEARBPZSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CCC1(F)F 2163053720 PYJCWIZIFLLDLZ-ZDUSSCGKSA-N 476.384 2.715 50 10 JFGE Cc1sc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2257384852 YFNYZCFKEWTLQG-UHFFFAOYSA-N 492.406 2.978 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1I 12502935 JWDADWPJHSXUKL-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 14022057 SYAPCIIHPLHHNP-UHFFFAOYSA-N 463.943 2.550 50 10 JFGE Nc1c(NCc2ccc3c(c2)OCO3)ncnc1NNC(=O)c1ccc(Br)cc1 40686198 URUVNIKOROWVKY-UHFFFAOYSA-N 457.288 2.919 50 10 JFGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)CC1 40752642 XGGSIGJVSVMYEH-UHFFFAOYSA-N 483.356 2.667 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2N)cc1 58988690 NPVOSLOWTBPXSE-PCLIKHOPSA-N 451.600 2.866 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc(Br)cc1 59819650 RMYBIAHRPYVHJD-WSDLNYQXSA-N 488.371 2.957 50 10 JFGE O=S(=O)(C[C@H](Br)c1cc(I)sn1)N1CCCCC1 2056487656 NFYXSYNZHFJEKA-QMMMGPOBSA-N 465.176 2.999 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2084025638 CYQWSBOQKAWVNV-MGHWNKPDSA-N 469.401 2.934 50 10 JFGE CC(C)(C)OC(=O)NC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2106772954 PZHZCNPVURLQJU-GOOCMWNKSA-N 452.415 2.611 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178088056 VLWZKQZMDBSZEZ-QWRKXWFKSA-N 454.077 2.912 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2318651046 BCRLHSGOHOTPRW-UHFFFAOYSA-N 480.276 2.900 50 10 JFGE O=S1(=O)C[C@@H](Cl)[C@H](NCc2ccc(I)c(Br)c2)C1 2325230913 QWKCKFKSZUFEJL-MWLCHTKSSA-N 464.550 2.548 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2364196786 DYJZHMZVEYUHET-MRXNPFEDSA-N 499.427 2.801 50 10 JFGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502601 DFIDJGKNCDUONR-UHFFFAOYSA-N 450.520 2.659 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 13976694 WWJVGECRMPILRL-UHFFFAOYSA-N 477.930 2.919 50 10 JFGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1 254867018 YRWGDIURFLCWTJ-UHFFFAOYSA-N 461.434 2.950 50 10 JFGE CN(C)CCOc1ccc(CNC(=O)NNC(=O)c2ccc(F)cc2Br)cc1 918204970 DSGGTOZVMIIHIU-UHFFFAOYSA-N 453.312 2.673 50 10 JFGE CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 920455548 HPTTZNDAFABSQP-RCCKNPSSSA-N 451.546 2.811 50 10 JFGE C=CCOc1cccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 1084018253 HPKYYAHHQRRISZ-UHFFFAOYSA-N 466.357 2.930 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C(=O)O)cc2)Cc2ccccc2)cc1 1084399096 WNGGNXAMCVIBKQ-UHFFFAOYSA-N 481.530 2.735 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c1 1176937234 IDBMXPUDOXEVBW-UHFFFAOYSA-N 459.491 2.985 50 10 JFGE Cc1nc(I)c(I)n1-c1nccc(CCl)n1 1936388256 KDKZVTJGMCVULR-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H]1CBr)CC2 2108243029 IAAYABUVQPYJFN-KUHUBIRLSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2172923698 XOWNNYDFQALEJC-JOQOYGCGSA-N 466.442 2.716 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268636116 ZGZDUVLDSODPED-QRWLVFNGSA-N 476.766 2.765 50 10 JFGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 2296543657 VOWUAIBDLOYXKA-LJQANCHMSA-N 492.557 2.622 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2)c1CSc1nc2ccccc2[nH]1 2297709308 IOXLFSNEZKKMRQ-UHFFFAOYSA-N 494.928 2.818 50 10 JFGE C[C@@H](Br)[C@@H]1C[C@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110972 KWWANJKPONKGSX-XOKHGSTOSA-N 457.390 2.934 50 10 JFGE COc1cccc(C=CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885213 YKCYPHILAABCIW-CQSZACIVSA-N 452.536 2.767 50 10 JFGE CC(C)(CI)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 2326671993 INEWWEUQHDUWQY-AWEZNQCLSA-N 467.392 2.801 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@H]1CCBr 2338669749 IMZUAZDHUVIAAJ-SSDOTTSWSA-N 459.964 2.571 50 10 JFGE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)c2ccc(CBr)cc2)C1 2362289557 WURNZEVAVRHZSE-UHFFFAOYSA-N 463.394 2.886 50 10 JFGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657303 QGYYEHRZRJSCRR-INIZCTEOSA-N 459.568 2.940 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1)NNC(=O)C(F)(F)F 20834898 AUUHJTGATWDPTB-YSURURNPSA-N 493.471 2.632 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 217173035 QUUUJHZZCOIWDQ-ZSRMJVKVSA-N 467.478 2.974 50 10 JFGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(N)s2)cc1OC 256028433 LVDQBKBZNZEXOQ-UHFFFAOYSA-N 460.379 2.923 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1860771067 HZNUGJYSAJNBTN-UHFFFAOYSA-N 464.503 2.603 50 10 JFGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531710 DHODNLQQGPAXKF-VFVRVIDISA-N 461.353 2.588 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 2027526881 RARWVVVJOKLAMF-AWEZNQCLSA-N 469.401 2.746 50 10 JFGE C[C@H](Br)[C@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046022628 LMHMPPYYDRCGGA-NJSLBKSFSA-N 475.380 2.836 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H](CBr)OC2(CCC2)C1 2120028093 YMOPIIJOVAYWDI-QMMMGPOBSA-N 457.131 2.906 50 10 JFGE O=C(c1cc(I)sn1)N1CCC2(CC1)C[C@H](Br)CO2 2120029945 ADEXNZZFBYGDEQ-QMMMGPOBSA-N 457.131 2.906 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2CCO[C@]2(CBr)C1 2239886574 RMTOMICEXRPYFL-IUODEOHRSA-N 450.114 2.846 50 10 JFGE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257380642 MBGZCAYYSICWKQ-GOSISDBHSA-N 472.350 2.863 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2301665618 XCRYQFYPBBYYBA-JOCHJYFZSA-N 478.379 2.704 50 10 JFGE CCOc1cc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)ccc1OC 2323172712 KFSOKPNHYWCPGI-QGZVFWFLSA-N 455.496 2.674 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CCl)C[C@@H](C2)C1 2369332766 PCEYMYSJDMGLEQ-YUWJWYLASA-N 456.967 2.928 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1OC 10038231 MEGZKHTVABWYNE-ZRDIBKRKSA-N 457.552 2.941 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978756 YQYYQHGSHPQRMU-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(O)c1 216848038 ASRGHDTXGMHYMI-YPKPFQOOSA-N 462.915 2.525 50 10 JFGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 1084311898 LMJASBDOOQZHJW-UHFFFAOYSA-N 495.557 2.892 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749468 NPLIHCBVEUYXED-UHFFFAOYSA-N 466.519 2.960 50 10 JFGE Cc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1860771913 LOSNKEBNDCOZEE-CJNGLKHVSA-N 468.579 2.987 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H]1CC12CCC(Br)CC2 1995932830 GAZVJHSEQGNSQB-VFPJAPOESA-N 455.374 2.546 50 10 JFGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2020241761 YYDDHBUCMYTHJY-SHTZXODSSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 2046021540 CHDMAXBYFODBHX-DYIBVVGTSA-N 473.364 2.588 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1O 2178905134 BTYFLORPQGTYSO-GXSJLCMTSA-N 453.118 2.536 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 2182844275 BOHLZLCSWYAOKQ-SJORKVTESA-N 459.406 2.800 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2CCCCCI 2220223116 NGNWMMISAXEBJI-SFHVURJKSA-N 465.376 2.793 50 10 JFGE Cc1cc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)sc1B(O)O 2256596976 BXGQMHYCBTZNOS-HSZRJFAPSA-N 492.406 2.916 50 10 JFGE O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)c1ccccc1I 2294683223 GKQPDIHRXGAYPC-UHFFFAOYSA-N 469.279 2.779 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)Oc2ccc(CC[C@@]3(C)NC(=O)NC3=O)cc2)c1C 2297430384 CFOKUJGZNJFTDC-RUZDIDTESA-N 464.522 2.795 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 2329578997 APKAGNGNELXTAQ-KPOBHBOGSA-N 487.391 2.838 50 10 JFGE COc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1I 12574364 FYDUQAHJCHWEGZ-UHFFFAOYSA-N 466.684 2.577 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619402 NQGRUHRLKLVCRP-PCLIKHOPSA-N 491.460 2.747 50 10 JFGE O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NN=Cc1ccccc1 916343794 HQBDSQOEFSGPTQ-UHFFFAOYSA-N 492.539 2.607 50 10 JFGE CCN(C[C@](C)(CI)OCCN1CCOCC1)C(=O)OC(C)(C)C 2007003877 OWIVLDOLJNSCNF-KRWDZBQOSA-N 456.365 2.786 50 10 JFGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046033767 MNBANKGTAFAOFK-CRFBAAHOSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 2108233994 LBQMLIMVCKXOCO-YVEFUNNKSA-N 497.333 2.693 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2120799469 RXHCPOJTSPUKKQ-CQSZACIVSA-N 452.415 2.612 50 10 JFGE C=C[C@]1(CBr)COCCN1C(=O)c1cc(I)ccc1O 2199848735 NZCGQWLWOTXEKZ-AWEZNQCLSA-N 452.086 2.789 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](F)[C@H](Br)C1 2301104459 ISQNXBYSOWXQHZ-CVEARBPZSA-N 461.353 2.590 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2317670970 JENMURSWNPVDCY-XMMPIXPASA-N 470.334 2.573 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1I 13989162 CTAPFVMYPJVSFA-GFCCVEGCSA-N 454.264 2.837 50 10 JFGE COc1cc(C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc(OC)c1OC 59167011 FTHRKHATUVONMS-XTCLZLMSSA-N 466.538 2.679 50 10 JFGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCCC2 217203196 FNVONWCDLPFORM-VULIGXMUSA-N 452.580 2.630 50 10 JFGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2)CC1 1137764992 CDKCBGWCSVAZAK-UHFFFAOYSA-N 458.584 2.594 50 10 JFGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)COc3ccccc3-c3ccccc3)[C@H]2C1 1229620165 KKNBVJCBWPPPOX-ILWGZMRPSA-N 450.539 2.710 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2ncnc3ccsc23)cc1 1445518752 XRTWAPXEIYURDZ-QGZVFWFLSA-N 459.553 2.580 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852245 QGRPUWAESKEIOB-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H](CBr)C1CC1 1942322033 AICABJGUIBCCNU-HNNXBMFYSA-N 457.390 2.793 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2182476771 NREJCKDDPHMCSF-LZWOXQAQSA-N 466.442 2.716 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508845 GSQSZBHATHTKII-OALUTQOASA-N 454.390 2.574 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2268601734 BZZFPFCYQWKIFF-VWLOTQADSA-N 484.361 2.819 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(C[C@@H](Cl)CO2)C1 2364190485 NIBVVYHGADIDRM-IERDGZPVSA-N 454.976 2.645 50 10 JFGE O=C(NN=Cc1ccccc1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NN=Cc1ccccc1 8553636 VMQQWFIGPXLBMC-UHFFFAOYSA-N 482.460 2.703 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2C)c(Br)c1 12503254 KELQPACWIANYPL-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE O=C(O)COc1ccccc1/C=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15219304 JSBKRUKTLYVVRZ-IKCALLGASA-N 488.456 2.979 50 10 JFGE COc1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 31829125 XATSTHQHIJONIV-ADSCEXNNSA-N 455.496 2.650 50 10 JFGE O=C(N/N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 105872193 BEHODVCVGNEBSP-RWEWTDSWSA-N 477.542 2.725 50 10 JFGE O=C(COc1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1)NN=Cc1ccccc1[N+](=O)[O-] 254794860 GJRMFKFQVCZQOO-UHFFFAOYSA-N 490.432 2.796 50 10 JFGE C[C@H]1C[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 705635790 CMQXSIQXPLLQBE-KBPBESRZSA-N 457.390 2.886 50 10 JFGE O=C(O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 725420723 YAKYYSYILLOHCF-INIZCTEOSA-N 482.274 2.719 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H](C)c2nc(C)cs2)c1 727942634 VCBKJWDTNBZAKK-AWEZNQCLSA-N 489.579 2.966 50 10 JFGE CSCC[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1317809230 PICFIKSXDGMAQD-HRCADAONSA-N 482.400 2.507 50 10 JFGE CN(C[C@H](Br)C1CCCCC1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2002420272 WBBNUGSTAIRCGO-KRWDZBQOSA-N 457.390 2.888 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046019408 NWEKODHLBRQGBV-BIENJYKASA-N 475.380 2.694 50 10 JFGE C[C@H](CCCCCI)NS(=O)(=O)c1nn(C)cc1Br 2121904874 FAECGRNTRPTLFO-SECBINFHSA-N 464.167 2.845 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163050829 NMVRHHLKNSQXBS-GDBMZVCRSA-N 466.442 2.812 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2175048673 PVTGYWSWPYSIQE-DZGCQCFKSA-N 466.442 2.764 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1cc(Br)ccc1I 2303600821 AVEZTCAKBBPYMU-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2315144556 QUARBJGVXCMGOA-LDTOLXSISA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@]1(CBr)CCCO1 2338851639 GIYBXEUYDAWHLI-HXUWFJFHSA-N 487.416 2.707 50 10 JFGE COC(=O)[C@H](CBr)NS(=O)(=O)c1cc(Br)c(C)cc1Br 2369428570 LOPZTIVTJNOCCF-VIFPVBQESA-N 493.999 2.735 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCc3ccccc3C2)cc1 920847262 CHGHLNWZBWHTNJ-STZFKDTASA-N 455.518 2.926 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 1136110566 NYOFHBVOUBHEPX-GOSISDBHSA-N 457.284 2.743 50 10 JFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770706 SXGULIFOQDBVEH-LLVKDONJSA-N 496.998 2.570 50 10 JFGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1865759573 HMXSHRALXLWUQO-CYBMUJFWSA-N 464.428 2.781 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 2043328338 DDXDPZLTNWPPLB-LLVKDONJSA-N 485.322 2.802 50 10 JFGE CC[C@H](Br)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022396 JSMUNOWPIONKMW-DJJJIMSYSA-N 475.380 2.979 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@]1(C)CCl 2108231348 PIYVZKVOYOIJGV-IRXDYDNUSA-N 452.882 2.679 50 10 JFGE CC(C)(C)OC(=O)N1CCC([C@H](F)CNS(=O)(=O)N2CCC(Br)CC2)CC1 2163272827 PSXFXZIOHLRXAL-OAHLLOKOSA-N 472.421 2.665 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1C2 2188298598 LMGIQXKNDVZOOM-SUNYJGFJSA-N 466.442 2.764 50 10 JFGE Cn1cc(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)c(CCl)n1 2207820350 HNOMPOQVJMQIIV-UHFFFAOYSA-N 450.948 2.501 50 10 JFGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@@H]32)C1 2265306077 NFLAQLPFMPFXKM-DIODGJHASA-N 451.427 2.516 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2CC1(CBr)C2 2314956710 UUVHMRYLCKNGMP-SZSCYUJKSA-N 473.364 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@](F)(CBr)C1 2316825006 AYWQLTJLQNUHHB-LJQANCHMSA-N 475.380 2.982 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)c(C)c1 2317612259 GOJQYUOXUGXJBQ-VWLOTQADSA-N 472.350 2.608 50 10 JFGE C[C@H]1CO[C@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338691923 XWQLIXZMEYTELM-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@H](CBr)C1 2338849690 KVDOIWMPBXEJNU-MRXNPFEDSA-N 487.416 2.516 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10455755 FPKBDBILCUMZFC-SNVBAGLBSA-N 470.334 2.883 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccccc1[N+](=O)[O-] 14025888 FPYVLRTZLAUXTP-UHFFFAOYSA-N 458.652 2.616 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1)Nc1ccccc1Cl 252629877 UPHMMZMWYJOXPQ-UHFFFAOYSA-N 465.897 2.519 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1 253579078 ZDYMGPDOPPJVIP-OVVQPSECSA-N 472.549 2.908 50 10 JFGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703959101 WVAFWBWCWROAMW-KGLIPLIRSA-N 457.390 2.744 50 10 JFGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cccc(Br)c2)S(C)(=O)=O)cc1 1084274067 KRGNMCGXHZTXNB-CYBMUJFWSA-N 454.346 2.763 50 10 JFGE COCCCn1c(S)nc2cc(C(=O)N/N=c3\sc4ccccc4n3C)ccc2c1=O 1087451379 NETMPQFIKVVKRG-FLFQWRMESA-N 455.565 2.521 50 10 JFGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2cc(C#N)ccc2Br)s1 1300526402 CYZLIMGIJJJJAG-UHFFFAOYSA-N 455.359 2.532 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 1669716624 XGAKTFHRHNAEKB-GUYCJALGSA-N 455.437 2.641 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC(CCBr)C1 1942861389 UMNFRXUFDPMYGY-UHFFFAOYSA-N 457.390 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 1949617649 BNNGAKKVEDMNNN-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122799925 OBIIXLREKFJDBE-HUUCEWRRSA-N 487.416 2.513 50 10 JFGE O=C(N[C@H]1C[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(CBr)cc1)C2)C(F)(F)F 2163053898 RROVHIACHPJSKW-KWCYVHTRSA-N 455.296 2.802 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1cccc(F)c1I 2178902472 GPMRSRLNFWDDJK-ZJUUUORDSA-N 455.109 2.970 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)C1 2301117468 PYONKOUYVQMGIY-GASCZTMLSA-N 457.390 2.936 50 10 JFGE CC(C)(CI)CN1CCOC[C@@]12COCCN(C(=O)OC(C)(C)C)C2 2326666424 FAVHKYFPVSZEJY-GOSISDBHSA-N 468.376 2.786 50 10 JFGE CC(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccc(-c3csc(Cc4ccccc4)n3)cc21 40606099 UITBSMIMWXMSCX-CQSZACIVSA-N 450.520 2.682 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2N)cc1 40759492 MRGBDNHKYBSGKQ-UHFFFAOYSA-N 485.570 2.598 50 10 JFGE Cc1sc2ncn(CC(=O)NN=C3C(=O)N(C)c4ccccc43)c(=O)c2c1-c1ccccc1 254449323 OJWWDVHPZJVJRR-UHFFFAOYSA-N 457.515 2.930 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](Br)C1 703991776 VIPPCPQIEQAIOE-KBPBESRZSA-N 457.390 2.792 50 10 JFGE Cn1cc(C(=O)NCC2CCN(C(=O)/C(C#N)=C/c3cn(CCC#N)nc3-c3ccccc3)CC2)cn1 727645772 DGOUKKCREJFSGF-HYARGMPZSA-N 496.575 2.773 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)c1ccc2ccccc2c1 1084099532 CZRKVIWYNDCDRZ-UHFFFAOYSA-N 451.434 2.596 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1C 1860770595 OWBFCFKSADIUSX-IUODEOHRSA-N 474.608 2.770 50 10 JFGE CCC[C@@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545592 SWOOFPAVWVJPOU-UGSOOPFHSA-N 463.369 2.884 50 10 JFGE CC(C)[C@@H]1CN(S(=O)(=O)c2cnn(CCBr)c2)CCN1Cc1ccccc1 2179812953 QWEYSLWONOZWHM-IBGZPJMESA-N 455.422 2.809 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCCN(Cc2ccccc2)CCOCC1 2179865974 ZVSMJVQDCVJBAR-UHFFFAOYSA-N 456.406 2.823 50 10 JFGE C[C@H](Br)[C@H]1C[C@H]1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116988 KWWANJKPONKGSX-IAOVAPTHSA-N 457.390 2.934 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2308992189 CHDMAXBYFODBHX-AODNKKSCSA-N 473.364 2.588 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)C1 2325887586 OYWCAOAWBJTGFK-RYUDHWBXSA-N 487.563 2.974 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 14002217 MOLATBQRRHUBFJ-UHFFFAOYSA-N 462.959 2.722 50 10 JFGE Cc1c(C(=O)N/N=C\c2ccc(/C=N\NC(=O)c3sc(N)c(C#N)c3C)cc2)sc(N)c1C#N 32926516 OUTMICSOKBVGST-WYFABWFGSA-N 490.574 2.862 50 10 JFGE COc1cc(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c1O 58890853 LTTFAEREFPUAON-PFHZTYADSA-N 454.264 2.969 50 10 JFGE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)C(=O)NNC(=O)C1CCC1 59878977 WMXMPWVXIJZOHB-BERGCFNWSA-N 456.359 2.986 50 10 JFGE COc1cc(/C=N\NC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 169918809 QAVAXRZQDATHBJ-CFRMEGHHSA-N 450.451 2.953 50 10 JFGE CC(=O)N1CCN(c2ccc(C(=O)NNc3nc4c(C)cccc4s3)cc2[N+](=O)[O-])CC1 1471347568 JGYLZYFZFVJVTA-UHFFFAOYSA-N 454.512 2.938 50 10 JFGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687567 VDIPAQVNYHPTRS-QFIPXVFZSA-N 467.570 2.793 50 10 JFGE CC[C@H](C)[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023035350 IMVAMICPLUCKPI-WBHUJUFNSA-N 463.369 2.740 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)c1CBr 2179818448 ZRXIHVFJQNRWDE-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE C[C@@]1(CBr)C=CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2215692656 FIQFQYHQFWLXBY-IBGZPJMESA-N 455.374 2.808 50 10 JFGE O=C(NOCCCNC(=O)c1ccc(Cl)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255501031 OKYIAOQDJAIBTQ-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H](CBr)[C@H]2C1 2309714767 JOIJYNAKQYSFEJ-IIDMSEBBSA-N 469.401 2.746 50 10 JFGE CNc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1I 2313567878 OOYZNFCRUSJYKD-UHFFFAOYSA-N 481.075 2.933 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CCl)C[C@@H](C2)C1 2369332763 PCEYMYSJDMGLEQ-CMBDLQSPSA-N 456.967 2.928 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629851 YHUJYVNJSHZJOJ-HUUCEWRRSA-N 478.343 2.622 50 10 JFGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 726276443 GNMBLOUIDVMJQS-UHFFFAOYSA-N 496.589 2.788 50 10 JFGE CC(=O)N(c1ccc(C)cc1)c1nc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cs1 917531737 HSJKJCUMXRSBNT-UHFFFAOYSA-N 460.523 2.940 50 10 JFGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)NCc1ccccc1 1083988391 PXEOQMYSSHVQSU-UHFFFAOYSA-N 462.481 3.000 50 10 JFGE CC(=NNC(=O)CCCSc1nnc(-c2ccccc2O)n1N)c1ccc2c(c1)OCO2 1084165703 RNAPHJGTGFFSCS-UHFFFAOYSA-N 454.512 2.506 50 10 JFGE CC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cs1 1135521802 BTNKJTIXVHMIIE-UHFFFAOYSA-N 457.533 2.504 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771986 NRRXRASDEDAJEH-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758687 MFFRLWXHKHDYRK-HNNXBMFYSA-N 458.474 2.511 50 10 JFGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866580734 XFPCGMJODSZENW-OXQOHEQNSA-N 475.567 2.890 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942087219 FNLSPRFLRMMDEB-MRXNPFEDSA-N 457.390 2.888 50 10 JFGE Cc1nc(CCl)cnc1-n1cnc(I)c1I 1987002312 PVKQMLVQEFJDDU-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE CN(C1(CBr)CCSCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2051500383 FTRLXDLDEAGZAH-UHFFFAOYSA-N 489.457 2.985 50 10 JFGE CC1(C)C[C@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2064381234 GEBMIKXHBGXPLZ-BFUOFWGJSA-N 475.380 2.836 50 10 JFGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2076212413 CKOAYRSJCDZHLW-BEFAXECRSA-N 475.380 2.979 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2140539567 PAHUOXQJHDRELT-SANMLTNESA-N 486.377 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)N1CCC(Br)CC1 2163050492 KGVBPMZWIIJUEO-HOTGVXAUSA-N 466.442 2.954 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2301664058 GVOIABDPFRHFMH-IVZQSRNASA-N 478.379 2.922 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338797536 ZSPFGSYTQFKMRM-ARGWCVDVSA-N 487.391 2.836 50 10 JFGE Cn1cc(C(=O)NNC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c2ccccc21 15093071 SGDOJAFCOLUNHV-UHFFFAOYSA-N 467.576 2.659 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1cccnc1 40649290 AHFLOQJPFKEJEF-UHFFFAOYSA-N 477.222 2.885 50 10 JFGE N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59146630 VJEHNKNGRBGFFZ-SLEBQGDGSA-N 455.430 2.913 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596844 OONSBBKRXOYPII-NLRVBDNBSA-N 476.489 2.847 50 10 JFGE CCOC(=O)c1sc2ncc(S(=O)(=O)NNC(=O)c3cn(C)c4ccccc34)cc2c1C 116683939 BJUZRGLXUQBPQC-UHFFFAOYSA-N 472.548 2.896 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCI)C1 2044704613 DZDXBLWLGSKEFH-HUUCEWRRSA-N 465.376 2.649 50 10 JFGE CN(CCCBr)S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2130166892 PZKRIXZDLRCNOZ-OAHLLOKOSA-N 458.344 2.697 50 10 JFGE COC(=O)[C@H](CCCl)NC(=O)c1ccc(Br)cc1I 2142286070 XCYYJXGSLVJTHW-JTQLQIEISA-N 460.493 2.954 50 10 JFGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179834736 LZSSFRZZHVWJKB-UFYCRDLUSA-N 457.434 2.857 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2193294723 GDXJVKBZFYTQNW-LJISPDSOSA-N 470.405 2.559 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2268644146 AMLIJVQCQBZTHX-QYBDOPJKSA-N 486.377 2.936 50 10 JFGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1cc(B(O)O)cc(C(F)(F)F)c1 2282388895 XGXXMNIECIHIAT-UHFFFAOYSA-N 480.292 2.942 50 10 JFGE CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1 2296535485 KBYNFFPNANAEMI-UHFFFAOYSA-N 475.530 2.563 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(C)cc1B(O)O 2301664592 LUIDLONIYRSMHX-JOCHJYFZSA-N 478.379 2.670 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310100044 YNIGWTMGBGVHBN-IECZYAKXSA-N 473.364 2.588 50 10 JFGE Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c2ccccc21 10736441 AKLOZCKHHIXOSW-AREMUKBSSA-N 469.501 2.560 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 12503666 RLZUDCVTBAMCCQ-UHFFFAOYSA-N 458.323 2.969 50 10 JFGE Cc1cc(CCl)nc(-n2cnc(I)c2I)n1 309175107 VJEAHUNSIAEXCB-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE COCCOCCOCCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 394255164 FDLYDMKJGWJVFD-GOSISDBHSA-N 487.375 2.887 50 10 JFGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728549225 FZAOITVJLVHDLM-UHFFFAOYSA-N 499.293 2.931 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3cc(C)nc(C)n3)cc2)cc1 1457654297 VLHZSHLEKGTWTA-UHFFFAOYSA-N 453.524 2.531 50 10 JFGE CC(=O)N1C[C@H](c2cc(I)ccc2N)[C@@H](CI)C1 1614642247 PJQUMNGOKONEBG-CABZTGNLSA-N 470.092 2.870 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=S)NCCc1cccs1 1629083700 MAWPSWDVEZEIRD-UHFFFAOYSA-N 456.387 2.830 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771808 ILUDBRSDNULZOZ-AWEZNQCLSA-N 484.578 2.695 50 10 JFGE COc1cccc(/C=C/C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772429 YKCYPHILAABCIW-VNDWYCCKSA-N 452.536 2.767 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCCCCI 1900969488 JJKKVZIMUUSJAR-UHFFFAOYSA-N 464.927 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CC1 1942805161 HJWNZPXNVSFFLN-MRXNPFEDSA-N 457.390 2.792 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C)(CCBr)C1 2068154274 FJBLNOXZIACXAJ-RBUKOAKNSA-N 475.380 2.838 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2106771502 JDLPRUQXPJKFPP-NHAGDIPZSA-N 454.431 2.572 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC2)C[C@@H]1CBr 2108234101 MCWJGQFUVFFPTF-AUUYWEPGSA-N 487.391 2.980 50 10 JFGE O=C(c1cc(I)sn1)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2135057647 DMPUISVPQSFSNQ-FKTZTGRPSA-N 457.131 2.762 50 10 JFGE Cc1nn(CCCBr)c(C)c1S(=O)(=O)N1CC(N(C)Cc2ccccc2)C1 2179825007 BSKHEJXORPQLAA-UHFFFAOYSA-N 455.422 2.790 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2256596500 ZSHBYYXBDCJKBN-QFIPXVFZSA-N 493.756 2.917 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cscc1B(O)O 2301723993 YRUZQIUBRJBSNS-WNSKOXEYSA-N 478.379 2.922 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)ccc1Br 2313861806 HECAXDDPNMAYQH-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2344149086 IEWVZMRAQWACDN-GJZGRUSLSA-N 457.312 2.922 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 13976712 WMBJDOJLLNAMCV-UHFFFAOYSA-N 487.719 2.969 50 10 JFGE CC(C)c1c(C(=O)NN=Cc2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 254556292 AOOWQBCKKYBQGC-UHFFFAOYSA-N 464.461 2.838 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccccc3F)nnn2-c2nonc2N)cc1 254708961 WCIORIVGVVFHCA-UHFFFAOYSA-N 452.475 2.736 50 10 JFGE CC1(C)C[C@H](Br)C[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703948183 IOERFXGSHIFRAN-KGLIPLIRSA-N 457.390 2.934 50 10 JFGE C[C@H]1[C@@H](CBr)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703951862 SWUFZQJPNYADIW-UONOGXRCSA-N 457.390 2.744 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 703993979 NJMTXBJHWYVUOM-CJNGLKHVSA-N 457.390 2.744 50 10 JFGE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)c4cccc5cccnc45)CC3)cc2NC1=O 727477649 LZTCAQPRLKCZIM-HNNXBMFYSA-N 487.516 2.904 50 10 JFGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 727942307 DMEZYDKAUZZJOY-OAHLLOKOSA-N 473.580 2.635 50 10 JFGE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NNC(=O)CCOc1ccccc1 731006087 YMRCNQKTGRFZDJ-UHFFFAOYSA-N 469.357 2.620 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NN=c3cc[nH]cc3Cl)cc2)cc1 1638276629 PQKNMGMFLGZXGV-UHFFFAOYSA-N 458.927 2.595 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@]1(C)CBr 2046024148 YCZNLMZXADWHFC-ZNZDAUKMSA-N 475.380 2.694 50 10 JFGE C[C@@H](Br)[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074730245 RJWNDZYUPHUQPL-MFKMUULPSA-N 485.322 2.943 50 10 JFGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)c2ccc(CCCl)cc2)C1 2162603260 VEMLUMRHSUVVCA-IBGZPJMESA-N 452.960 2.784 50 10 JFGE O=S(=O)(c1ccccc1CBr)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179822908 BWMDCYSBJCIHFT-RTBURBONSA-N 451.386 2.855 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2256629062 PVLLTKYSTWPQRL-UPCLLVRISA-N 492.406 2.998 50 10 JFGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 2314760339 LXZGKAXWPLFCLI-UHFFFAOYSA-N 463.402 2.657 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@H](OCCCBr)C1 2364015960 VATZLIKCTMJHSG-QMMMGPOBSA-N 473.991 2.961 50 10 JFGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 10671324 ZIYKRPSMVLXVJG-INIZCTEOSA-N 456.568 2.596 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOC)c(Br)c1 14659216 WICOOMYANFUADI-UHFFFAOYSA-N 451.317 2.877 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCn4ccc5ccccc54)c(=O)c23)C1 1860769958 NDPMYMAHZYFECG-OAHLLOKOSA-N 463.563 2.775 50 10 JFGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1915073391 FJHMYGFLJIVNMA-GFCCVEGCSA-N 466.199 2.942 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(CO)CCCN1C(=O)OC(C)(C)C 2022806373 HZTXLHDBSKLZDS-FQEVSTJZSA-N 479.665 2.771 50 10 JFGE CC1(C)[C@@H](Br)CC[C@@H]1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2026149445 WAGYFONKIVSJKP-HOTGVXAUSA-N 457.390 2.934 50 10 JFGE NNC(=O)[C@H]1C[C@H]1COc1c(I)cc(Cl)cc1I 2028051033 KGALQVUSSRKBMJ-FSPLSTOPSA-N 492.482 2.554 50 10 JFGE O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@@H]1CCCO1 2040444206 GBCNIANWKMPPRB-INIZCTEOSA-N 495.026 2.828 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)(F)F 2046025727 LNQYHSDZWJVUSM-BONVTDFDSA-N 489.285 2.646 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(COCCCl)CC1 2167400479 SIOLABGQKRKHLP-UHFFFAOYSA-N 456.992 2.606 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2199775645 KEEZRERBXZLZOB-ZTFGCOKTSA-N 499.427 2.513 50 10 JFGE OB(O)c1ccc(Nc2cc(Br)c(I)c(Br)c2)nc1 2231672622 QIEBYYOORIUZKQ-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244740692 JNXOWGPSYKOFHI-AWEZNQCLSA-N 470.032 2.637 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2264706516 RNDYROJKUMVBKY-JKSUJKDBSA-N 487.416 2.562 50 10 JFGE O=C(C=Cc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2296382153 QJCOQGKFWICMTJ-UHFFFAOYSA-N 482.496 2.612 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2302395775 YYLKWGODIJCURZ-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40646183 AOPGPIOAULSEPT-UHFFFAOYSA-N 453.371 2.565 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])c1ccccn1 40649291 HNWAPAQIZGENJV-UHFFFAOYSA-N 477.222 2.885 50 10 JFGE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cc(Br)cn1C 110673840 NROXBMFWUWXROD-GOSISDBHSA-N 461.360 2.548 50 10 JFGE Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN=Cc1cccnc1 252622268 NRLPIZNOOOMNNB-UHFFFAOYSA-N 460.361 2.827 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1-c1ccccc1 254869224 CVFNBNIVTFEJAI-UHFFFAOYSA-N 493.443 2.971 50 10 JFGE C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)cc2C1 749160625 BJTRABLFPFAKBQ-JSGCOSHPSA-N 453.611 2.549 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ncc(Cl)cn3)cc2)cc1 1167664043 YGDNFWCCLSRMGL-UHFFFAOYSA-N 459.915 2.568 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2ccc(F)c(F)c2F)cc1 1636765098 SSDMSZPRNYKIIF-KRWDZBQOSA-N 455.458 2.993 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)cc1 1772749137 HRUAOSWYKAUSCB-UHFFFAOYSA-N 490.516 2.907 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H]1CBr 2000534334 VNDZNBUZBSMWBD-UGSOOPFHSA-N 461.353 2.590 50 10 JFGE C[C@H](Br)C(C)(C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539482 KXZHKIYLDOWGFX-KPZWWZAWSA-N 463.369 2.740 50 10 JFGE C=CCC[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2019480193 JBUQCDGLKRMVGS-SCLBCKFNSA-N 461.353 2.660 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2106305228 MSPUQNFZRUBHLJ-AWEZNQCLSA-N 452.415 2.612 50 10 JFGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179824475 VSGXYCPNXTZWNE-ZWKOTPCHSA-N 471.442 2.959 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296731346 PTVQUYSTUPLCRZ-BGYRXZFFSA-N 471.561 2.882 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2364210722 GEAGKUJCGFFVOJ-MNEFBYGVSA-N 499.427 2.515 50 10 JFGE C[C@H](Br)C[C@H]1COCCN1C(=O)c1c(Br)c(Br)nn1C 2364229962 GIXIRBFOGGHHHD-YUMQZZPRSA-N 473.991 2.960 50 10 JFGE COc1ccc(COC(=O)C2=C(CCl)CN3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@@H]3S2)cc1 54967721 GXRPFTDPKLJQPX-OFNKIYASSA-N 486.977 2.874 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109598 YXRYTIUUEHJMBU-ZMFRSBBQSA-N 495.367 2.894 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=Cc3c[nH]c4ccccc34)nnn2-c2nonc2N)cc1 254714380 SITUDCHQJPWOIT-UHFFFAOYSA-N 457.454 2.543 50 10 JFGE CC[C@@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 310153472 NPYDDGMKFOAFEQ-MRVPVSSYSA-N 480.471 2.697 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)F 703995132 JAMMPHSOQANYBB-UHFFFAOYSA-N 467.332 2.601 50 10 JFGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@@H](c2ccc(C(=O)O)cc2)NC(=O)N1 1083911121 GQTUECPMXZWXSB-QGZVFWFLSA-N 457.284 2.926 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 1084543608 SZQQETLPPWOTFD-UHFFFAOYSA-N 452.492 2.763 50 10 JFGE CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859003577 NIKKSTXDVJXAAA-UHFFFAOYSA-N 467.475 2.916 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CBr)CC1CCCCC1 1926747458 ZMKVSRSGPSIUAC-OAHLLOKOSA-N 457.390 2.936 50 10 JFGE C[C@@H]1C[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531707 DHODNLQQGPAXKF-FHSNZYRGSA-N 461.353 2.588 50 10 JFGE BrCCN1CCN(c2ncc(I)cc2Br)CC1 2015757224 QMQXNFWSBBWTGT-UHFFFAOYSA-N 474.966 2.966 50 10 JFGE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106778723 GMNCOHHDZCSXSG-OAHLLOKOSA-N 454.431 2.860 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2134131106 PRDZPECDXSNXCS-NKKGCODLSA-N 487.391 2.977 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CC12CCC(NS(=O)(=O)N1CCC(Br)CC1)CC2 2162587638 VZCDXJFWYLPKJS-CSLYMUCUSA-N 466.442 2.906 50 10 JFGE Cc1csc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2248891282 DHLNMVOMFLQXJH-UHFFFAOYSA-N 478.379 2.670 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC 2313855673 SDIZDFYBNZIGNX-MRXNPFEDSA-N 457.552 2.823 50 10 JFGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 109878409 ZBLBOQVHPGTZEY-AWEZNQCLSA-N 498.175 2.616 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(CBr)CCCCC1 703972504 DZACAZFQVADITH-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C1CCN(c2ncccn2)CC1 728961183 BGXLILCXWAZPTH-HXUWFJFHSA-N 497.987 2.535 50 10 JFGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)NC(C)C)o2)cc1 1084149921 WKBWDFUHQVJGPU-UHFFFAOYSA-N 496.589 2.954 50 10 JFGE COC(=O)COc1cc(Br)c(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1OC 1084275472 MJYMVOLZQXXHNQ-KRWDZBQOSA-N 479.327 2.973 50 10 JFGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)c3cccc(Br)c3)ccc2c1=O 1465547560 XTKJEGPCTDWMJS-UHFFFAOYSA-N 459.325 2.709 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)C1 1860770554 NEIPWMASGUDPRK-NWDGAFQWSA-N 480.999 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCSCCBr 1899610214 JNBGJSZYGRLGFQ-UHFFFAOYSA-N 463.419 2.500 50 10 JFGE CC(C)(CBr)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541727 SXIPQWPINKZYAA-SFHVURJKSA-N 463.369 2.741 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2046023318 RGOUGIJSEVBXSM-AZOIQLNYSA-N 475.380 2.836 50 10 JFGE CO[C@@H]1[C@H](OC)CN(C(=O)c2sccc2I)[C@H]1CBr 2225083853 QQMWXPDPKFWNKK-AEJSXWLSSA-N 460.131 2.602 50 10 JFGE COC(=O)c1csc(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)c1 2280248285 VJNUFRWLQUSULS-UHFFFAOYSA-N 456.633 2.719 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1c(F)cccc1I 2282787613 SDWBMZRYNGVQGU-NXEZZACHSA-N 455.109 2.970 50 10 JFGE COc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)c1OCc1ccccc1 2323157566 UJFGOSXDRIKLPT-ZDUSSCGKSA-N 455.496 2.501 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1cc(C(=O)OC)ccc1C(=O)OC 2324430159 PUBKPXDGSIWIIO-UHFFFAOYSA-N 451.435 2.895 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1CC(C)C 97664634 WBVQBUSLIMELKE-DSQGSVMPSA-N 491.548 2.710 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1083965313 SZPYCSHPIZKOMG-UHFFFAOYSA-N 460.446 2.920 50 10 JFGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c1 1219892692 NBHFRWNDIZVHMR-UHFFFAOYSA-N 454.302 2.522 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 1665968628 FFDGKTYMCLCGCZ-UHFFFAOYSA-N 455.496 2.615 50 10 JFGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2046418038 AHRQETSNFOUSJW-GJZGRUSLSA-N 471.417 2.992 50 10 JFGE O=S(=O)(N[C@H]1COC[C@@H]1CBr)c1cc(Br)ccc1Br 2090323083 XRZDIEZUTSOHIQ-XVKPBYJWSA-N 478.000 2.900 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CCNC(=O)OC(C)(C)C 2106776579 JMMNIXFRHMWUKN-UONOGXRCSA-N 454.431 2.573 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCC(CBr)CC1)C2 2179824977 BFHOGTMXEXSKPY-VQTJNVASSA-N 456.450 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@H]21 2199762680 OVSKPVHJHSGGLF-ATZDWAIDSA-N 454.976 2.501 50 10 JFGE Cc1nc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)c(Cl)n1C 2316785639 FNRDVNHMUBPXHX-CQSZACIVSA-N 450.786 2.983 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(OC)cc1B(O)O 2317614532 YIOYAHYABGVMDM-HSZRJFAPSA-N 474.322 2.631 50 10 JFGE COCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 2331122748 DQPSIFTXSWSEIP-UHFFFAOYSA-N 479.518 2.848 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2344149088 IEWVZMRAQWACDN-LSDHHAIUSA-N 457.312 2.922 50 10 JFGE O=S(=O)(C[C@H](Cl)c1ccc(Cl)cc1I)N1CCOCC1 2365595769 NPMQYYWOTNRTAE-NSHDSACASA-N 450.125 2.887 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 33565503 IERTVSNFQRLFHV-MLPAPPSSSA-N 471.535 2.787 50 10 JFGE N[C@@H](CSS[C@@H]1CCN([C@@H](C(=O)C2CC2)c2ccccc2F)C/C1=C/C(=O)O)C(=O)O 166568299 AMPOCARAOGXMMH-ZCXWEIOASA-N 468.572 2.725 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206829489 PWUMHHQWRYUVRW-AUWJEWJLSA-N 485.562 2.766 50 10 JFGE O=C(CCl)NC(=O)Nc1cc(I)cc(I)c1 690357709 JJZJVGBKOQXRFI-UHFFFAOYSA-N 464.428 2.783 50 10 JFGE C[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CNC(=O)OC(C)(C)C 2106773985 NUKHCXGAKBNIBK-KBPBESRZSA-N 454.431 2.573 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 2108230088 WUTRIVGMGMXNRO-LPHOPBHVSA-N 493.370 2.786 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Br 2164500560 GSJRQUDAJVKNKG-OPYAIIAOSA-N 495.370 2.991 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268628176 DHARHUKVDGEPSC-AREMUKBSSA-N 484.361 2.772 50 10 JFGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(c2ccccn2)CC1 40793467 LVHFNSIYGDDADY-UHFFFAOYSA-N 459.341 2.844 50 10 JFGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 726276481 ADZZTYARHWABOS-ZWKOTPCHSA-N 477.675 2.786 50 10 JFGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 748147497 GZTCKDAWOYURHD-QHCPKHFHSA-N 493.541 2.707 50 10 JFGE CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 1084038158 KALKASQZEAKGGQ-QFIPXVFZSA-N 466.538 2.573 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccnc(C(F)(F)F)c2)cc1 1634996683 XJIZPFZULSZOGB-UHFFFAOYSA-N 458.462 2.847 50 10 JFGE CN1CCN(c2ncc(I)cc2Br)C[C@@H]1CBr 2015762629 NHTCVHDWWQOUAO-VIFPVBQESA-N 474.966 2.964 50 10 JFGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074209117 SLHINMGRMBVETO-VMDGZTHMSA-N 475.380 2.884 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 2106988517 HSDZSIAOAZVAOH-DZGCQCFKSA-N 457.312 2.637 50 10 JFGE C[C@@]1(CCl)CC(F)(F)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231349 PIYVZKVOYOIJGV-SJORKVTESA-N 452.882 2.679 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)c2cccc(F)c2I)CC1 2170224326 KIEYWWXKGNESHW-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2241022009 WQBJEZRMFRRLMA-MIGQKNRLSA-N 466.442 2.762 50 10 JFGE Cc1cc(B(O)O)c(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1Cl 2255444766 PAJGODJAPWMDHG-UHFFFAOYSA-N 460.767 2.885 50 10 JFGE CCCN(C(=O)COC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 2297631162 HCIOZAMGMNGRKI-NRFANRHFSA-N 463.600 2.637 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2306883237 JSFADBYQRVYXAS-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2313862209 OKIIJVWHNKPDOS-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE CCOCCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 14663643 MWOKXRUMDTZZCG-UHFFFAOYSA-N 460.394 2.936 50 10 JFGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c21 101615686 RWZFCSGKSPSBTP-JJIBRWJFSA-N 479.449 2.943 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN=Cc1cc([N+](=O)[O-])cc(OC)c1O 252633337 WCQLATLJCDEMJJ-UHFFFAOYSA-N 497.537 2.941 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccccc3OCC)nnn2-c2nonc2N)cc1 254409933 UVEHGNCSDJJQPW-UHFFFAOYSA-N 476.497 2.851 50 10 JFGE O=C(O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 725420724 YAKYYSYILLOHCF-MRXNPFEDSA-N 482.274 2.719 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2ccc(F)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084032126 PCAVXRILOMGYMS-UHFFFAOYSA-N 488.461 2.637 50 10 JFGE COc1ccc(C(=O)NN=Cc2cc(OC)c(O)c(OC)c2)cc1I 1084089770 IYERXKGIALMHAX-UHFFFAOYSA-N 456.236 2.787 50 10 JFGE C=CCO[C@@H]1CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1546131468 BINXXZUNUHDBBZ-KEWOFRHOSA-N 453.930 2.789 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865852484 YUDWNDPDCREUJY-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCCCc3ccccc3)C2)C1 1872962265 RUPMZGVWGQZZLV-VXKWHMMOSA-N 463.582 2.635 50 10 JFGE C[C@@H](CCCCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532287 ILSWVMZBNNRCQV-UGSOOPFHSA-N 463.369 2.884 50 10 JFGE CC1(C)[C@H](Br)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2076212416 CKOAYRSJCDZHLW-DNVCBOLYSA-N 475.380 2.979 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179814803 HYXVYCFBPTWBGE-HSALFYBXSA-N 456.450 2.792 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2256636711 OSNXBVNNNXHDRA-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE BrC[C@@H]1CO[C@@H]2CN(c3ncc(Br)cc3Br)C[C@H]2O1 2265028656 YMSWVIHHIWFMSO-FBIMIBRVSA-N 456.960 2.974 50 10 JFGE O=C(NCCCC(=O)N1CCc2ccc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2269562631 KLNRZVFAFNHAJZ-UHFFFAOYSA-N 484.361 2.570 50 10 JFGE CC(C)[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2304308271 YVEOYLIRSLMJLY-RHSMWYFYSA-N 457.390 2.886 50 10 JFGE Cc1nc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)c(Cl)n1C 2316785636 FNRDVNHMUBPXHX-AWEZNQCLSA-N 450.786 2.983 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccccc1Cl 13976336 KHWCUFOZDUYWHR-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCCOc1ccccc1C(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14026435 JUGGXVYHMPWDCS-UHFFFAOYSA-N 457.552 2.677 50 10 JFGE O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=Cc1ccc2c(c1)OCO2 254706166 XQLQGIJCQFYXNY-UHFFFAOYSA-N 482.474 2.669 50 10 JFGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 254745777 NXLYDRDBSKKKHU-UHFFFAOYSA-N 494.604 2.607 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC[C@H]1CCCO1 725438061 WAJZNHAPZFOFTF-QGZVFWFLSA-N 493.347 2.756 50 10 JFGE COc1cc(C=NNC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1084267795 OQZZKHLDACBNPV-UHFFFAOYSA-N 457.321 2.798 50 10 JFGE C=CC[C@]1(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 1160580285 DITULYXNBOLZFA-OAQYLSRUSA-N 452.577 2.726 50 10 JFGE CC#CCN(C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1637927996 FOEQLHURYCEFDN-LFIBNONCSA-N 454.328 2.577 50 10 JFGE CS(=O)(=O)N1CCC(C(=O)NNc2ccc(OCCOc3cccc(Cl)c3)cc2)CC1 1858080405 BFSLQVUXWDPCNM-UHFFFAOYSA-N 467.975 2.913 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771809 ILUDBRSDNULZOZ-CQSZACIVSA-N 484.578 2.695 50 10 JFGE CCCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851670 FYHKOOPHQUJVMS-HNNXBMFYSA-N 468.579 2.762 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CBr)C2 1951026385 MOJFKWHVNWLAPD-ZQIUZPCESA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 2031621889 AOFPPLWEZJLTMH-OAHLLOKOSA-N 469.401 2.890 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2cccc(F)c2I)CC1 2170224325 KIEYWWXKGNESHW-JTQLQIEISA-N 455.109 2.972 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@@]2(F)C1 2182451485 TXBPGVXOUPZFBI-SJORKVTESA-N 470.405 2.562 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2186721682 NVWIDGRSRORSQG-LBPRGKRZSA-N 480.347 2.574 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189045343 VYZRYXRLQQDZFC-WOFXILAISA-N 454.077 2.912 50 10 JFGE ClCCOCCN1CCN(c2ncc(I)cc2Br)CC1 2189906019 GDSQGQIACJUEGV-UHFFFAOYSA-N 474.568 2.826 50 10 JFGE C[C@@H](CBr)CC1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2216704108 SGWPWJDNPHZIMS-CQSZACIVSA-N 457.390 2.746 50 10 JFGE CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@@H](c2ccc(Br)cc2)NC(=S)N1 59384232 ZENOZFIHQWOZCE-JDYBYSMLSA-N 461.341 2.803 50 10 JFGE Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 727537297 PSXFBICYXADXCO-UHFFFAOYSA-N 452.536 2.826 50 10 JFGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cc(Cl)ccc1O 1084237743 SMGWLUWXWQEOER-UHFFFAOYSA-N 488.887 2.823 50 10 JFGE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(SC#N)cc3)CC2)c1 1858625649 YCQSUHFUTIKOQC-UHFFFAOYSA-N 462.553 2.815 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770092 SJMSXFXTXOSTSO-UHFFFAOYSA-N 462.531 2.832 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771168 MDJOUEFZVYNCEN-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179819529 MVABVEAWPQIKJR-LJQANCHMSA-N 453.406 2.565 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2CC1(CBr)C2 2314956376 QUARBJGVXCMGOA-UHFFFAOYSA-N 469.401 2.888 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)cc1Br 13976187 IMSZZAVXEQUSGC-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)c1 13977146 NRJKKQIARZODHX-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE O=C(N/N=C\c1ccc(Cl)cc1Cl)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891850 CEGNPPYHKXTDCO-DGKJUAPTSA-N 450.307 2.749 50 10 JFGE COc1ccc(C2=NO[C@H]3[C@H]2C(=NNC(=O)c2cc4cc(F)ccc4[nH]2)[C@@H]2OC[C@H]3O2)cc1 575118854 NFOVOJOJPSUICL-SVVKQXANSA-N 450.426 2.576 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 726769137 GQXYRJDTODRBAR-ORTNRGLGSA-N 492.624 2.968 50 10 JFGE Cc1cc(/C=C(\C#N)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(F)cc1 728847960 GLFQDVWQCKEQAN-RCCKNPSSSA-N 487.539 2.994 50 10 JFGE COc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 730495140 IVWIKDAYKKNLFS-MRXNPFEDSA-N 495.319 2.677 50 10 JFGE O=C(COc1ccccc1O)NNC(=O)c1cccn1-c1cccc(I)c1 730782707 SUXOXPLHKQWNMN-UHFFFAOYSA-N 477.258 2.628 50 10 JFGE CCC(=NNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 1084318869 GPGJCSCEXJWWNF-OAHLLOKOSA-N 461.540 2.551 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H]2CCS(=O)(=O)C2)cc1 1866924613 WNEVGFGXQIYPEU-UTKZUKDTSA-N 487.603 2.846 50 10 JFGE Cn1nnc(Br)c1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169194 FRLPXDLQNWXQMF-CYBMUJFWSA-N 478.210 2.942 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC12CC(CBr)C2 1997985596 DTIRJABIIBNERB-UHFFFAOYSA-N 455.374 2.642 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2067020302 JQAHPFDNIQYBKR-MDZRGWNJSA-N 473.364 2.588 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNS(=O)(=O)N1CCC(Br)CC1 2162601817 MOQRJXVZYOYARY-RDTXWAMCSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CC(F)F 2177313197 VUPFQHITGYFCDW-ZDUSSCGKSA-N 476.384 2.667 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCCN1CCOCC1 2295623491 DSGYAXWENYABFH-UHFFFAOYSA-N 451.479 2.681 50 10 JFGE N#CC(=CNCCc1ccccc1Br)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324196937 HJQDGRZFJXEYCL-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE COc1ccc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2339733932 NLVMGWPFNTUVOJ-RUZDIDTESA-N 488.349 2.877 50 10 JFGE CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 9819740 JUSOJHNVAGVZLQ-UHFFFAOYSA-N 484.290 2.790 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 13997426 XXBMAIQTBQJXBA-UHFFFAOYSA-N 496.383 2.736 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 14042227 RBPOHTCHVMQGSE-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 1084425037 WJDRBOCHEFKLRC-LJQANCHMSA-N 455.496 2.555 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)C1 1860771325 QRKOVCXFYPOQSC-CHWSQXEVSA-N 478.530 2.711 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@](F)(CBr)C1 1995940308 PZRYLDGMOVYPDC-GOSISDBHSA-N 461.353 2.592 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018108153 PDLONFFAYYMWAX-WBHUJUFNSA-N 461.353 2.588 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2078432030 GORCBDNBMQSXFL-ZENOOKHLSA-N 475.380 2.740 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179822248 UUFRHUPBFCYVMK-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179866257 FCFUCBUYJXNIHP-OALUTQOASA-N 454.390 2.574 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@H]2CCO[C@]2(CBr)C1 2239890164 IAZPFDCDYUJWOB-YMTOWFKASA-N 452.086 2.623 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2256641170 SYIQCDZWYJWJOK-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(B(O)O)CC2)cc1I 2270384668 XOXSLUGZKNEBEI-UHFFFAOYSA-N 474.104 2.717 50 10 JFGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296835023 NSAGGUGHVNFKTJ-JKSUJKDBSA-N 450.501 2.860 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(C)c(B(O)O)s1 2301723198 QBBANQHMDUXSBL-QFIPXVFZSA-N 478.379 2.670 50 10 JFGE COC(=O)N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324610135 UMAMARLIGORWJJ-UHFFFAOYSA-N 473.577 2.712 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)CCc1ccccc1 13976244 VLRVHYGFDXIGOC-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 217233286 JNRFCAWTBNHCEE-YPKPFQOOSA-N 491.913 2.727 50 10 JFGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1OC 254491351 IQCRZROYDSTMEV-OHSQDCCFSA-N 484.512 2.972 50 10 JFGE COC(=O)COc1ccc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1083937790 MSURMTAPVFLWOA-KRWDZBQOSA-N 496.301 2.807 50 10 JFGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(I)c1 1083962217 INQIBOVFYOEZSD-YCRREMRBSA-N 479.068 2.512 50 10 JFGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1993397756 RPHZOPRQLFYABR-CZUORRHYSA-N 452.358 2.572 50 10 JFGE O=C(CI)NCCCCCCCCCCC(=O)ON1C(=O)CCC1=O 2060423932 WGECIDAHVNFMDE-UHFFFAOYSA-N 466.316 2.656 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2106302595 NHLLDFBPBVISQP-YOEHRIQHSA-N 452.415 2.612 50 10 JFGE O=C(Cc1ccccc1I)N1CC2(C1)OCCC[C@H]2Br 2159660504 LOSMPEWLTLKIRH-CYBMUJFWSA-N 450.114 2.989 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178088055 VLWZKQZMDBSZEZ-KDDOJWQBSA-N 454.077 2.912 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2226299868 UYUUPWAIIIGFJW-GASCZTMLSA-N 452.415 2.564 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2257375459 ZECMRLWSHUUMKM-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE COc1cc(B(O)O)ccc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257382423 QSBIGNYYQQHFJX-UHFFFAOYSA-N 474.322 2.632 50 10 JFGE Cn1cc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)n1 2336538521 IQZXJDQYWGFISI-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE O=C(CSc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59152995 WSVTXNKSJJUVHG-WEMUOSSPSA-N 484.537 2.942 50 10 JFGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OCC(N)=O 254741898 PIMDONSRTSOTSB-UHFFFAOYSA-N 463.490 2.667 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccco2)cc1)Nc1cccc(Cl)c1 1084618341 PKUIJVWTEQKBAJ-UHFFFAOYSA-N 454.870 2.717 50 10 JFGE Cc1nn(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)c2ccccc12 1087497184 XRCDFIIYHPERAO-UHFFFAOYSA-N 453.458 2.974 50 10 JFGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1618671999 QVTQFLRHUMMOSF-IGKIAQTJSA-N 476.621 2.912 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)c(C)c2)cc1 1631076183 AZUMMVZYOFYCTP-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771512 YXTFYXHIABNITP-CHWSQXEVSA-N 467.551 2.563 50 10 JFGE C[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2044259480 IYNDKZVWPBDUDK-IBGZPJMESA-N 474.421 2.871 50 10 JFGE C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106779650 QAQMERFHKAYJDB-HIFRSBDPSA-N 454.431 2.716 50 10 JFGE CN(C)[S@@](=O)(=NC[C@@H](Br)C(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2106781903 LYLCRSPIVWDEKX-QYOLQKOISA-N 467.352 2.725 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)[C@@H](C(F)(F)F)C1 2164488305 VORRVUWFGFILQH-WHCBVINPSA-N 470.872 2.690 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 2313616935 BMNNENJXEWDCPZ-UHFFFAOYSA-N 464.341 2.815 50 10 JFGE COc1ccc(NC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324474986 CTUKKIOWQHKFTF-UHFFFAOYSA-N 476.942 2.828 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1CC[C@H](CBr)CO1 2364007100 NRINIFUUZCAZRY-SFYZADRCSA-N 473.991 2.865 50 10 JFGE O=C(NNC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1)Nc1ccc(Cl)cc1 22706072 KQGPVYUGIDOYLQ-HNAYVOBHSA-N 469.929 2.537 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1OC 40583776 ALPXUXDQUDRRHR-UHFFFAOYSA-N 468.470 2.579 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)C1CCCCC1 703950358 HNSHTMKTHLASFX-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNc3ccc(F)c(F)c3F)nnc12 727759530 CHYFYPOXQPRARI-UHFFFAOYSA-N 460.441 2.883 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2c(F)c(F)nc(F)c2F)cc1 836815387 GJDOKJOJIFWXMR-CYBMUJFWSA-N 474.436 2.527 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1cnn(CCOC)c1 1084637661 YYQOWWNGCSBRGW-KRWDZBQOSA-N 468.587 2.550 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cccc(Br)c2)(c2ccccc2)CC1 1629100101 IWTOUUWNBBOJFX-UHFFFAOYSA-N 456.340 2.957 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1865851488 CQUCQXIFVKAMLA-UHFFFAOYSA-N 462.531 2.914 50 10 JFGE O=S(=O)(C[C@H](Br)c1cc(I)sn1)N1CCCC1 2007642335 AHIVBYJFJQUPGS-ZETCQYMHSA-N 451.149 2.609 50 10 JFGE CCCN1CC[C@@H]([C@H](Br)c2cc(I)sn2)S1(=O)=O 2056497452 SHGVGWXSFYKNNW-WCBMZHEXSA-N 465.176 2.998 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084888211 HBDFVTHZRIQHPY-LSDHHAIUSA-N 471.417 2.992 50 10 JFGE C[C@H]1C[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2108186046 OHCMLCQQCVJKIQ-UONOGXRCSA-N 454.431 2.810 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2108235697 ZVESVFZAKGCGTH-PBHICJAKSA-N 497.333 2.835 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1ccc(F)cc1I 2178907377 PZOYNMLMPVFLDT-MWLCHTKSSA-N 455.109 2.970 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CCl)C[C@H]1C(F)(F)F 2192580544 HSYIVWWHPVWWIC-COXVUDFISA-N 470.872 2.738 50 10 JFGE C[C@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2223652842 MDNICJFZNTVPPL-CQSZACIVSA-N 454.254 2.985 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(B(O)O)c(F)c1 2302394239 FZISEXDSHGANJO-UHFFFAOYSA-N 466.249 2.512 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1CBr 2310104975 KTUXRKJDARMDKC-JKIFEVAISA-N 469.401 2.886 50 10 JFGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325312832 BKBQHHHUHGIIOW-UHFFFAOYSA-N 496.589 2.996 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1972919 DUXTWFIEBASDPK-YSURURNPSA-N 456.524 2.513 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 13976227 ZJFDIMOZOHYJAJ-UHFFFAOYSA-N 480.384 2.854 50 10 JFGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 34762289 YFCYASFNLDBCBM-LJLZWOEMSA-N 492.557 2.568 50 10 JFGE CCCOc1ccccc1C(=O)NNC(=O)CCCC(=O)NNC(=O)c1ccccc1OCCC 100140417 XMHXZHCMYFUQDP-UHFFFAOYSA-N 484.553 2.657 50 10 JFGE C#CCN1C(=O)C(=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 239164941 NFCCWGNAZCBWMA-UHFFFAOYSA-N 492.491 2.687 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 913257480 FKZHJLIDSLOSHL-SARUNTBLSA-N 452.486 2.550 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1632087464 FPBATGWFBJOROB-QHCPKHFHSA-N 455.490 2.770 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3c(F)cc(F)cc3F)CC2)c1 1648260952 WBMLCYSKNUABAB-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE CC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 1659978538 MKDRACNJNMJFCJ-UHFFFAOYSA-N 458.540 2.839 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)[C@H]3CCCO3)cc2)cc1 1858664675 OFSNJPAXJVGBMH-GOSISDBHSA-N 460.537 2.565 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 1914027194 AGDMKXRWUDLHNJ-OAHLLOKOSA-N 469.401 2.890 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C(C)(C)C1 1914046080 RJDRULCOAVKZTE-AWEZNQCLSA-N 471.417 2.992 50 10 JFGE C[C@@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942099492 VFPQOBXOYQSOFN-IBGZPJMESA-N 457.390 2.890 50 10 JFGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050369823 RJHNXUCKDTVVNF-ZBEGNZNMSA-N 485.322 2.739 50 10 JFGE Cc1cc(B(O)O)c(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1Cl 2267320736 XNOITOZEXANFOM-UHFFFAOYSA-N 474.750 2.522 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2282797516 PEHUKOKPBMDGAQ-AUTRQRHGSA-N 454.077 2.912 50 10 JFGE N#Cc1ccccc1OCC(=O)NN/C=C1/C=C(Br)C=C(Br)C1=O 135994698 QTCVXIHUIGBBIF-FLIBITNWSA-N 453.090 2.582 50 10 JFGE CC1=C[C@@H]2[C@](O)(CC(C=O)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)Cc4ccccc4)C[C@@H](C)[C@@]32O)C1=O 238791435 HAHNPNWCBSJDSW-XASYBOBESA-N 464.558 2.960 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CCCBr)CC1 703959320 XVTVUQPMWBDZGW-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 727483719 WBXFZUNQFMWMAU-UHFFFAOYSA-N 460.538 2.802 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)CC1 1772752009 RDXMXWSNAFYSPH-UHFFFAOYSA-N 453.495 2.789 50 10 JFGE CC(C)[C@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533045 OFKOUIJRQVQKHQ-ROUUACIJSA-N 463.369 2.740 50 10 JFGE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CSc2ccccc2F)cc1 9996081 APACQFSBZKGBNK-SFHVURJKSA-N 467.588 2.767 50 10 JFGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc2ccccc2c1 10450627 HBSPUNKDNFJPIG-DHZHZOJOSA-N 450.476 2.862 50 10 JFGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C1\CCCCc2ccccc21 13074997 IKUGHBKASVJFMJ-WJTDDFOZSA-N 455.580 2.887 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770359 FPPKNESBFWWNEV-UHFFFAOYSA-N 468.560 2.697 50 10 JFGE Cc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1N(C)C 1860771526 ZJAIZNIVRDTBJI-HIFRSBDPSA-N 467.595 2.979 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)n2)cc1OC 1865758294 SUGFTJTWASCCFM-UHFFFAOYSA-N 481.421 2.965 50 10 JFGE CC1(C)C[C@@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046030067 VUUWTWPQKKLIEJ-DJJJIMSYSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2108234844 RXCDPXQLZQFAPS-AUUYWEPGSA-N 487.391 2.980 50 10 JFGE O=C(Cc1ccccc1I)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146692612 KJCOJZUKWYJIQG-FPMFFAJLSA-N 450.114 2.987 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268662711 DHARHUKVDGEPSC-SANMLTNESA-N 484.361 2.772 50 10 JFGE N[C@@H](C[C@@H](SSCC[C@@H](N)C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2333220592 WYSMLTOHPQSVDI-HSALFYBXSA-N 490.603 2.696 50 10 JFGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2n1 8599028 SKCLDYRCRQAAMC-UHFFFAOYSA-N 492.971 2.811 50 10 JFGE CC(C)C(=O)NNC(=O)CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1 20909108 AWNHLLFEHLJNPM-UHFFFAOYSA-N 465.583 2.954 50 10 JFGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 254875842 BGMMXHCWLFTWAZ-UHFFFAOYSA-N 459.446 2.639 50 10 JFGE C=CCOc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC 1084457685 IKCHHFHAQXRJGS-UHFFFAOYSA-N 496.383 2.939 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](SSCC[C@@H](N)C(=O)O)/C(=C/C(=O)O)C1 1848437581 BHQAMABUPJQDIU-UBLKFJBASA-N 489.015 2.823 50 10 JFGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccccc1C(F)(F)F 1860771084 IWRSLUCRAZDLFR-UHFFFAOYSA-N 450.442 2.817 50 10 JFGE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960582 FHKXQKJMUUKPHO-IAGOWNOFSA-N 455.946 2.778 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2046024948 FHQSKTNBYHYPBH-ICLOAJAWSA-N 473.364 2.588 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2046024951 FHQSKTNBYHYPBH-XBQLXHJASA-N 473.364 2.588 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179814804 HYXVYCFBPTWBGE-VAMGGRTRSA-N 456.450 2.792 50 10 JFGE CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1CCN2S(=O)(=O)N1CCC(Br)CC1 2197321225 GGJLCQWDMBJSQE-RDTXWAMCSA-N 466.442 2.860 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@H]2OCC[C@@]2(CBr)C1 2296377665 KAMJDSPDSKXHNZ-TZMCWYRMSA-N 452.086 2.623 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2317612508 HTZKYCLSCOKBOW-SSOJOUAXSA-N 472.350 2.861 50 10 JFGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14032383 FERPKUOBTFDAMR-UHFFFAOYSA-N 461.540 2.841 50 10 JFGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)c(Br)c2)c1-c1ccccc1 27519276 VPTUMAFPCVLRIB-LSFURLLWSA-N 471.250 2.565 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-] 40659153 HHPBLLJFVIZHGI-UHFFFAOYSA-N 482.240 2.564 50 10 JFGE CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl 257434689 HHVCVAIASNFMBE-MVWVFHAYSA-N 458.935 2.863 50 10 JFGE endogenous,in-man C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365509 HAHRRKKOSTUHQS-KRWDZBQOSA-N 456.518 2.704 50 10 JFGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCN1CCOCC1 1865687408 QMBCGGGTPYAIEE-DEOSSOPVSA-N 488.548 2.514 50 10 JFGE Cc1nc(I)c(NC(=O)[C@H](C)CCl)c(I)n1 1984094068 RJLLWOBZMGHTBH-SCSAIBSYSA-N 465.460 2.808 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2042546074 UKDVUMNEMPLHED-BODMPHMZSA-N 469.401 2.934 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 2046022194 ICTNEAMLADVSTP-MEBBXXQBSA-N 489.285 2.504 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2070015288 QRWBOTPBBURZLR-FPXQBCRKSA-N 473.364 2.588 50 10 JFGE C[C@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2115834113 XKLMIEKELNZWLX-UONOGXRCSA-N 454.431 2.716 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179810112 CBSSULBJOPHYBR-UHFFFAOYSA-N 463.348 2.755 50 10 JFGE Cc1cc(O)ccc1NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324930337 DQZYHUPQFLAADL-UHFFFAOYSA-N 476.942 2.833 50 10 JFGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1cccc2ccccc12 12574025 AAVKVEOURSCMQX-UHFFFAOYSA-N 450.520 2.659 50 10 JFGE O=C(CCl)N1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 33408524 FPSYLLFABLCPJT-LJQANCHMSA-N 456.395 2.743 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c(OC)c1 1084169116 CCAJONMXZFZHMC-NRFANRHFSA-N 453.568 2.713 50 10 JFGE CS(=O)(=O)N1CCC(C(=O)NNc2ccc(OCCOc3ccc(Cl)cc3)cc2)CC1 1858080634 KGUVSTMOUCYICW-UHFFFAOYSA-N 467.975 2.913 50 10 JFGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852292 RPBLSWPRPWWACR-LBPRGKRZSA-N 495.590 2.581 50 10 JFGE Cc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962296 SIDAAQPMKXOWFX-IAGOWNOFSA-N 455.946 2.778 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1942096356 AKRIBKNNNNOODY-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 1942099488 VAWSYXATPAGFJH-CKEIUWERSA-N 455.374 2.640 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CBr 2000982060 ZGQZBXCZCWIDFU-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1scc(Br)c1Br 2057669680 MERBMJDYKFNCHH-PHDIDXHHSA-N 482.013 2.563 50 10 JFGE CC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2106300494 DDHLQIOYOSZFOF-QGZVFWFLSA-N 454.431 2.860 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)OC2(CCC2)C1 2165765035 KRHKQABXKYRYDZ-OAHLLOKOSA-N 454.976 2.501 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2205239586 HYNKGXHUHNCHFG-RDTXWAMCSA-N 466.442 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@H]21 2246603195 PJMXECRMALQASR-CKEIUWERSA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)C(=O)NC(C)(C)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 205367662 LTDIQHOPVVLQPO-UHFFFAOYSA-N 467.522 2.793 50 10 JFGE CCOc1ccc(/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 214436863 XPOIBIPHZLKJPO-UYRXBGFRSA-N 456.495 2.656 50 10 JFGE Cc1cccc(NC(=O)COc2cccc(C=NNC(=O)C(=O)NCCc3ccccc3)c2)c1 254740744 XPSNAHJADZEJMY-UHFFFAOYSA-N 458.518 2.822 50 10 JFGE COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1 254878749 BXPOXWZLYRQQID-UHFFFAOYSA-N 464.511 2.606 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2F)cc1)NCCc1ccccc1 725416698 PLMHNINRZJWOQR-UHFFFAOYSA-N 462.481 2.652 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cc3cccc(O)c3)cc2)cc1 725879093 BQPIGTZILOWWBT-UHFFFAOYSA-N 467.547 2.525 50 10 JFGE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 1260512571 APBUSULNMXETMS-JKSUJKDBSA-N 463.394 2.884 50 10 JFGE C#Cc1cccc(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)c1 1629923884 LBEVEYQSOIUVGQ-KGENOOAVSA-N 453.502 2.639 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C2(CC2)C1 1944716693 IWLABTKUCHZBHT-INIZCTEOSA-N 455.374 2.642 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 2106979557 JHQDJJGQLLPENO-IUODEOHRSA-N 452.882 2.742 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179807995 CAIVGZWGBHNCOE-DLBZAZTESA-N 453.406 2.756 50 10 JFGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)Nc2cccc(B(O)O)c2)c1 2180981976 YRAREYKLHVENTO-UHFFFAOYSA-N 482.083 2.570 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2269559138 RLJHTDVZLPVABC-HSZRJFAPSA-N 491.328 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(CCBr)C1 2301116254 CKSFDGNRVUNFOP-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(O)cc1 2324447225 MRZVEJDBXGVPBD-UHFFFAOYSA-N 462.915 2.525 50 10 JFGE C[C@@H](NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 2324904301 RWTNNHFCVLRWGM-SGGRRFJASA-N 456.612 2.595 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815083 QLMAONMFQAXGSM-NCELDCMTSA-N 480.546 2.611 50 10 JFGE CCN(CC)C(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 1084646924 GNRQZTNKZNTKAV-GRSHGNNSSA-N 465.506 2.894 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(C(F)(F)F)cn2)cc1 1467276054 CGRBDJDUAWNGJT-UHFFFAOYSA-N 458.462 2.847 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCC[C@@H](CBr)C1 1908634593 VTPKEEOUYGJCPC-CABCVRRESA-N 457.390 2.936 50 10 JFGE C[C@H](CCCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532285 ILSWVMZBNNRCQV-FZKQIMNGSA-N 463.369 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@H]21 2070015289 QRWBOTPBBURZLR-GGXPGOJBSA-N 473.364 2.588 50 10 JFGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2084961071 RPHBWIZZEQLSCO-BFUOFWGJSA-N 475.380 2.979 50 10 JFGE C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106779651 QAQMERFHKAYJDB-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE O=[N+]([O-])c1cc(I)ccc1-n1cc(COCCBr)nn1 2146049445 KMWNAONHEWTMHC-UHFFFAOYSA-N 453.034 2.692 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CCC12CC2 2220272309 ABNZDYGPBLLZJM-FZKQIMNGSA-N 473.364 2.733 50 10 JFGE Cc1sc(CN(C)C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2248414282 HQFAMCVBXHEVAY-UHFFFAOYSA-N 478.379 2.542 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2289351614 XIYAUAZGPFXUBL-DAYGRLMNSA-N 499.427 2.513 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2297476825 YBQAPKHUTNPQFD-UHFFFAOYSA-N 472.523 2.634 50 10 JFGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1O 2328827621 HWJJESDILHTWLU-KRWDZBQOSA-N 458.471 2.895 50 10 JFGE COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)c1C 96925803 FIAZASBXJBNZGG-UNOMPAQXSA-N 457.552 2.825 50 10 JFGE CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(C)cc1 254577319 BPGLGDVCIFVIKB-OAQYLSRUSA-N 457.555 2.518 50 10 JFGE COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cccc(O)c2)ccc1Cl 725879312 FTAUYIDOSIVCNJ-UHFFFAOYSA-N 489.937 2.859 50 10 JFGE O=C(CNC(=O)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1084539773 SNUSMZYYTPKYMG-UHFFFAOYSA-N 455.106 2.797 50 10 JFGE C#CCCCC(=O)NNC(=O)CC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1304010061 KWWYUGCGGYZRKV-UHFFFAOYSA-N 456.587 2.887 50 10 JFGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865755565 FPLUVVWDXBSJCB-UHFFFAOYSA-N 474.489 2.660 50 10 JFGE CC1(C)[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2086023450 FWNMWQNQHCWRDS-VCBZYWHSSA-N 475.380 2.882 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2162589300 OXXZUAIXBOXHQZ-GOSISDBHSA-N 466.442 2.765 50 10 JFGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1cc(I)ccc1O 2178905136 BTYFLORPQGTYSO-MWLCHTKSSA-N 453.118 2.536 50 10 JFGE COc1ccc(NS(=O)(=O)N2CCC(Br)CC2)cc1I 2280474616 PDBVWIDDGUCOSS-UHFFFAOYSA-N 475.146 2.816 50 10 JFGE C/C(=C\C#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2C1=O 8909991 TXSVZZIMBWZGHU-IUYQLWOBSA-N 458.474 2.871 50 10 JFGE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1 9334097 AOZNVEAOZABLJZ-UHFFFAOYSA-N 479.558 2.775 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 703966554 HLMUQSVCRQIAAD-VBKZILBWSA-N 471.417 2.992 50 10 JFGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 1084529175 FQOYUSVMHXNRLF-UHFFFAOYSA-N 476.489 2.810 50 10 JFGE C[C@H](Sc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)C(=O)NNC(=O)C1CCC1 1084621956 DNCCKIUTBZIOGJ-QMMMGPOBSA-N 472.358 2.691 50 10 JFGE C=CCNC(=S)NNC(=O)c1cc(I)cc(Br)c1C 1463675566 NXSYYNVRXAAFPP-UHFFFAOYSA-N 454.131 2.657 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)CC1 1615208582 CXZLFGIKWCKTKU-ULJHMMPZSA-N 457.578 2.593 50 10 JFGE COC[C@H](C)NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748450 XZUDKTBEGWXKNM-NSHDSACASA-N 463.332 2.981 50 10 JFGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccc(F)cc1 1873792716 NPEMRFFXNASGQY-UVHMKAGCSA-N 476.464 2.979 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2108234845 RXCDPXQLZQFAPS-IFXJQAMLSA-N 487.391 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2164488306 VORRVUWFGFILQH-YLVFBTJISA-N 470.872 2.690 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CCCCCl)C1 2244740612 IHAPCZCBJNPPAC-UHFFFAOYSA-N 470.032 2.781 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2256641596 OSNXBVNNNXHDRA-DEOSSOPVSA-N 492.406 2.950 50 10 JFGE COc1ccc(C=C2SC(=O)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 2297312439 GHXAGYUBJJHEAX-UHFFFAOYSA-N 485.518 2.687 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2301724084 ZNWSERLADBRRSL-QHCPKHFHSA-N 462.286 2.761 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCOCCCBr 2316822141 ODZQLUJSAKAKGR-UHFFFAOYSA-N 475.405 2.564 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)c(C)c1 2317612258 GOJQYUOXUGXJBQ-RUZDIDTESA-N 472.350 2.608 50 10 JFGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 2325903346 CHCZLXNHERARPA-NWDGAFQWSA-N 485.522 2.917 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2329614658 CCESAGXWBCAFJY-UHFFFAOYSA-N 461.927 2.915 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\c2cccc([N+](=O)[O-])c2)c2nccn2C)c1 6134288 VYNYLKUZDJEVBT-HIXSDJFHSA-N 484.538 2.541 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15853501 QQSNXLGTAXGZHK-UHFFFAOYSA-N 468.579 2.718 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@@H]1c1ccccc1 170514202 OQYLUXVZNBVZGS-CAVPUYEOSA-N 458.499 2.968 50 10 JFGE C=CCn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1cccc([N+](=O)[O-])c1 252620326 MBYVRFCDAFWZBW-UHFFFAOYSA-N 454.468 2.693 50 10 JFGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 504360905 LFDSJZUWJKJWAH-QWKARXNYSA-N 480.985 2.688 50 10 JFGE O=C(NN=Cc1ccccc1O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084126065 YNHGKXJLRKEZTR-UHFFFAOYSA-N 466.357 2.706 50 10 JFGE CC(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)[C@@H](Br)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 1776010021 WJKPYUPOEZEIAU-AFRPGCOISA-N 490.394 2.755 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 1860771436 WLPUPMHWLZYTEY-UHFFFAOYSA-N 492.557 2.922 50 10 JFGE Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)ccc1Cl 1872962070 PGCUJCKMLZOSDA-IAGOWNOFSA-N 455.946 2.778 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](C(F)(F)CCl)C1 1892700908 PNPWJFLJWRLLIP-PXAZEXFGSA-N 452.882 2.537 50 10 JFGE Cc1nc(I)c(NC(=O)CCCl)c(I)n1 1975069423 BRVKBQUXZKFFHD-UHFFFAOYSA-N 451.433 2.562 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C[C@@H]1CC(F)(F)F 1983328656 ADMBVVXEBHMKNP-VIFPVBQESA-N 472.267 2.582 50 10 JFGE C=CC[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023598276 BFTJTGBLFHLPDT-SCLBCKFNSA-N 461.353 2.517 50 10 JFGE C[C@H]1[C@@H](Br)C[C@@H](C)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2220340350 KKJHSQBPBGOYBP-IECZYAKXSA-N 475.380 2.834 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243665501 SKKRVZNQWKORRT-UHFFFAOYSA-N 464.714 2.805 50 10 JFGE N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 33600224 LLFYYHRDZDQJEN-DHDCSXOGSA-N 481.421 2.656 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 103246500 JKOGXZRSIOKEAK-QGOAFFKASA-N 452.492 2.630 50 10 JFGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/NNC(=O)c1cc(Br)ccc1O 109077619 VYMYALQVRZAIRO-WOJGMQOQSA-N 481.306 2.682 50 10 JFGE Cn1cc(C(=O)NNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 730998919 KURONSARWQFOPJ-UHFFFAOYSA-N 478.368 2.956 50 10 JFGE COc1ccc2c(c1)c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)n2C 1873793277 GTZOUTWQMTYPJT-PDYUXYPTSA-N 478.571 2.982 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2046030426 YHZWLMNFSIQUIM-DNVCBOLYSA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 2108234208 MYMNZLZYPRRYTL-NYYTWLDWSA-N 487.391 2.836 50 10 JFGE Cc1oc(CBr)cc1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179824188 RVFMTABFTPQDBU-MSOLQXFVSA-N 455.374 2.757 50 10 JFGE COCC[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824239 KEACOEHLKXUZAE-OAHLLOKOSA-N 475.405 2.562 50 10 JFGE COC[C@@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826489 ITLUPEMDTZZFAY-HNNXBMFYSA-N 475.405 2.515 50 10 JFGE O=S(=O)(N1CCC[C@@H](CCBr)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 2356973818 DNZFCYMFDZGUOL-SLFFLAALSA-N 456.450 2.935 50 10 JFGE NNC(=O)[C@]12CO[C@](CSc3cc(I)ccc3Br)(C1)C2 2363644581 VHRHIDYJADJBLF-JOCQHMNTSA-N 469.142 2.685 50 10 JFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14647767 HJNNSZSZNDBGPN-UHFFFAOYSA-N 466.357 2.952 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 15092860 XVOLUUNXKJIZDU-CALCHBBNSA-N 498.605 2.928 50 10 JFGE COc1ccc(C)cc1/C=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 97998319 IYLPRLHJOTYQPG-OWBHPGMISA-N 479.558 2.957 50 10 JFGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccccc2C(=O)O)o1 254507481 SUBYZJBUYFAWAF-UHFFFAOYSA-N 471.433 2.777 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccc(OC)c(OC)c1 254565955 AAGSQTZBCRHDFD-UHFFFAOYSA-N 457.512 2.636 50 10 JFGE COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313701 ASEHWQFAUBPQPY-QTCOBDOFSA-N 499.637 2.794 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(-c2ccccc2)n1 918100675 ACBWFCLTTQPAQY-HKWRFOASSA-N 465.517 2.946 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084072149 SSFSPEDGMKUZPL-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1865759941 ZNEAFLWUDJWWOU-UHFFFAOYSA-N 464.428 2.783 50 10 JFGE Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961106 IYPODKTXOYAPQD-IAGOWNOFSA-N 455.946 2.778 50 10 JFGE C[C@@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2046801286 GNEPKBNQZGKIHB-UXHICEINSA-N 469.401 2.890 50 10 JFGE C[C@@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 2162591116 IBCIEMUWYXVFHT-DMRZNYOFSA-N 466.442 2.857 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CCCN(Cc2ccccc2)CCOCC1 2179951616 AZWJGJMSEGPYFQ-UHFFFAOYSA-N 469.392 2.961 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@H]2C1 2289338578 NGVOITWJDOVLNY-FCEWJHQRSA-N 454.976 2.501 50 10 JFGE O=C(N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O)c1ccccc1 3171773 ONEZGEVKEVBSRK-BUVRLJJBSA-N 468.502 2.585 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 13976813 LOSKWBQKBOVFKF-UHFFFAOYSA-N 456.568 2.685 50 10 JFGE Cc1ccc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 252625673 QOVVQYYJBMHNIP-QGZVFWFLSA-N 450.904 2.860 50 10 JFGE C[C@@H](Sc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)C(=O)NNC(=O)C1CCC1 1084395651 KXLKJCNZSCGVQT-SECBINFHSA-N 456.359 2.986 50 10 JFGE O=C(CNc1ccc(I)cc1)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084423756 FTZHXZUJVOJWRH-UHFFFAOYSA-N 469.195 2.670 50 10 JFGE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CCO1 1260503667 KRRAKSKCBHUMDR-OAHLLOKOSA-N 463.394 2.886 50 10 JFGE CC1(C)[C@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022273 IPGUPWZVWIICTJ-DJJJIMSYSA-N 475.380 2.836 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106306093 VRMNPJQEPIQHGA-KBPBESRZSA-N 454.431 2.573 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2106785995 RWWSIKBPWCARBU-GJZGRUSLSA-N 451.427 2.660 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178084510 ZDZRKPPPBNYNHX-WLTAIBSBSA-N 454.077 2.912 50 10 JFGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)N1CC(OCc2ccccc2)C1 2204137771 NYKFFNUUTNHDSG-QGZVFWFLSA-N 462.454 2.607 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2325302595 DQFTVAHVHKFDRE-DLLGKBFGSA-N 473.364 2.588 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)c1 10277009 QDNJAQXWWNMWHZ-UHFFFAOYSA-N 466.357 2.814 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573538 DQALOHDQDBWGPH-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc1 40759472 ODLSZRONWMBOPO-UHFFFAOYSA-N 469.571 2.898 50 10 JFGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2cccc3ccccc23)nnn1-c1nonc1N 254486366 VSUMRAMYBMFBAG-OAHLLOKOSA-N 459.514 2.524 50 10 JFGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2nn(CCCCC)c(=O)c3ccccc23)CC1 1477801781 JSRQHTCKUXJNMZ-UHFFFAOYSA-N 454.575 2.571 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)(F)F 1918533471 QSWOJFCXCDJLMY-CYBMUJFWSA-N 485.322 2.944 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)C1CC1 1942809955 IESFXOBOCBPRPB-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)CCC12CCC2 2006115445 HGITWKLZRTXITA-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H](CBr)C1 2046023346 RJYRXFMVAILFPW-IFXJQAMLSA-N 475.380 2.838 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H](Br)C1 2046029897 UICVMZJGYVZIIU-NJSLBKSFSA-N 475.380 2.884 50 10 JFGE O=S(=O)(NCCOCCCI)c1ccc(F)cc1Br 2104022243 QVLWACUMVLMTDF-UHFFFAOYSA-N 466.110 2.708 50 10 JFGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248396910 GKGFCKCTUXPGTG-CVEARBPZSA-N 478.379 2.875 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1B(O)O 2248401962 QDXOWUKNXPATHR-DEOSSOPVSA-N 458.323 2.868 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NCC1(CBr)CCOCC1 2364006138 BWUHYQKAZFRALR-UHFFFAOYSA-N 473.991 2.867 50 10 JFGE COc1ccc(Cl)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12 9447499 DYFHPQKKROXECD-UHFFFAOYSA-N 482.971 2.736 50 10 JFGE Cc1ccccc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21 39919008 YSEDOBHFEILKLA-LJAQVGFWSA-N 495.583 2.946 50 10 JFGE CCOc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(Cl)c1O 83299240 MHXGINZYAQICKE-NUGSKGIGSA-N 455.862 2.577 50 10 JFGE COc1ccc(Br)cc1/C=C\C(=O)NNC(=S)NCc1ccc2c(c1)OCO2 97990400 TTXWMVORUMSEGY-CLTKARDFSA-N 464.341 2.895 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccnc1)CCC2 101605394 UTZZIIBKPOCCGC-YZSQISJMSA-N 461.478 2.537 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCc1ccccc1 216700229 SJOMOGPVRWRICL-VLGSPTGOSA-N 474.970 2.539 50 10 JFGE COc1ccc(/C=C/C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 254619674 WEUFUBOFUOAZAW-CLRCZHMMSA-N 468.513 2.892 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CCBr)C(F)F 1918568717 PGXQKDKYMYETMR-CQSZACIVSA-N 467.332 2.791 50 10 JFGE C#CC[C@@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2084851288 HYNIIFCETHSSLG-FQEVSTJZSA-N 469.401 2.653 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Cl 2164501978 NOFXVMOXSRFCFP-UEXGIBASSA-N 450.919 2.835 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F 2186715464 NFEBWGUECPSDDR-CQSZACIVSA-N 467.311 2.742 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2257375312 VNGINFNDCHZHQH-UHFFFAOYSA-N 490.390 2.630 50 10 JFGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 2294347199 YNRKTWUARFHJLX-KRWDZBQOSA-N 470.016 2.982 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 2313616918 XCNSEJXUECSEAI-UHFFFAOYSA-N 460.559 2.972 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@@H](CCl)O2)C1 2364196738 DOWWQLUMLAXKLA-INIZCTEOSA-N 454.976 2.645 50 10 JFGE C/C(=N/NC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 96698154 QDYKKNKLDOGIJR-UCQKPKSFSA-N 457.537 2.550 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611474 ODQLQBPJDPNIPF-LGUFXXKBSA-N 460.490 2.898 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 215727701 FSLKNVJZUZSDSY-KVSKMBFKSA-N 450.630 2.571 50 10 JFGE C=CCCC[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 1654359756 KHRLXDIUCNFNCY-FQEVSTJZSA-N 457.600 2.601 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CBr 1942095475 RTQVWTPONILZDO-PBHICJAKSA-N 457.390 2.936 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942099423 UFRCOYNHGFSHQG-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE CN(CC1CC(Br)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942100056 YYDDHBUCMYTHJY-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1CCBr 2046029277 PJSNFXHDGOLXKM-CRFBAAHOSA-N 475.380 2.884 50 10 JFGE O=S(=O)(NC[C@H]1COC[C@@H]1Br)c1cc(Br)ccc1Br 2097824520 OIOXUGFAGUMJNS-XVKPBYJWSA-N 478.000 2.900 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 2108235699 ZVESVFZAKGCGTH-WMLDXEAASA-N 497.333 2.835 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCCC[C@H]21 2179458536 NGFSVODQNUIQOS-HRCADAONSA-N 466.442 2.858 50 10 JFGE CN1CCN(C(=O)c2cccc(F)c2I)[C@H](CCBr)C1 2202834337 IPEYPMLKFBBPFH-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1C 2297430379 BEZDMPBONVAXOI-UHFFFAOYSA-N 484.622 2.808 50 10 JFGE CCCN(C(=O)COC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 2297631163 HCIOZAMGMNGRKI-OAQYLSRUSA-N 463.600 2.637 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)[C@H](Br)C1 2301104461 ISQNXBYSOWXQHZ-HZPDHXFCSA-N 461.353 2.590 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1 12570918 RZIRSCDXTNKAIL-UHFFFAOYSA-N 491.161 2.828 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623625 NIXVVWZKRCSRTL-QZMUEMGWSA-N 472.570 2.924 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)cc1 14027182 SJAGKMZWTPSCHK-UHFFFAOYSA-N 460.284 2.786 50 10 JFGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NNC(=O)C(F)(F)F 20829045 YJHZXJWHUPUFQU-UHFFFAOYSA-N 450.446 2.681 50 10 JFGE CC1=C(C(=O)N/N=C/c2ccc(C(=O)O)cc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 59385689 KHOUVOJGECZJDP-KQFRHJRUSA-N 457.284 2.926 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C#N 217150359 UYXOYBMEHJULSK-PEZBUJJGSA-N 471.926 2.691 50 10 JFGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(c2ncccn2)CC1 217254234 HBBIZOHLAAYGDH-SQFISAMPSA-N 474.306 2.558 50 10 JFGE COOC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@H]43 606575524 VZNKQKIVYCSTMY-LQESHACNSA-N 456.495 2.751 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 703959069 WLXUIYNHVRXRAW-ZDUSSCGKSA-N 493.370 2.991 50 10 JFGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1)c1ccccc1 1084654734 DBRNJURQSOCAOG-SFHVURJKSA-N 450.539 2.842 50 10 JFGE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1135239546 MZZYQSYGVYDIQE-UHFFFAOYSA-N 456.446 2.638 50 10 JFGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866800927 QTDPYNQOZNIHKL-AWEZNQCLSA-N 477.564 2.584 50 10 JFGE O=S(=O)(c1cc(CBr)cs1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2123225567 QRIAFBHFPRNVIH-DLBZAZTESA-N 457.415 2.917 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2248400837 BNCFNTZJTIDPJM-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2289348372 PWESUFJEVKMBJD-BXWFABGCSA-N 499.427 2.657 50 10 JFGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(S(=O)(=O)O)o2)cc1 2297730687 ZLRDDMRJCSJJTE-UHFFFAOYSA-N 482.518 2.514 50 10 JFGE Cc1ccc(S(=O)(=O)N=C(CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 2313620699 LWSNCLTZZYHKSL-UHFFFAOYSA-N 455.989 2.593 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCS[C@H](CBr)C1 2316691035 SGQYKMMHXRGBQE-ZCFIWIBFSA-N 462.005 2.898 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)C[C@H](Br)C1 2316821131 BQXGEVFGLIHEDC-GJZGRUSLSA-N 475.380 2.980 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2317604574 BWMZWDGHFWQZMZ-VWLOTQADSA-N 472.350 2.642 50 10 JFGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324194944 KHURNQKEUBUESH-UHFFFAOYSA-N 469.260 2.996 50 10 JFGE Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623906 HEANPAJRRQKQMQ-AWEZNQCLSA-N 455.312 2.579 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1 13984949 HUVVUMQNFIRXLD-UHFFFAOYSA-N 451.264 2.961 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)nnn1-c1cccc2cnccc12 1318339608 VNASVZRTXLDMPC-UHFFFAOYSA-N 451.284 2.961 50 10 JFGE CN(CC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)C(=O)OC(C)(C)C 2106777520 UMJNMHQQGVLJOU-UHFFFAOYSA-N 454.431 2.669 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCOCC2)C1 2174377802 XTGVDXIVJYXMKN-QGZVFWFLSA-N 499.427 2.515 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1F 2178912115 UBBCJYWBKJKDEY-ONGXEEELSA-N 455.109 2.970 50 10 JFGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179814927 IRCWVYPNARQTIY-PMACEKPBSA-N 456.450 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CC(c2cnc(NS(=O)(=O)N3CCC(Br)CC3)s2)C1 2201910355 FVTCHUYSHGTWLB-UHFFFAOYSA-N 481.438 2.993 50 10 JFGE C[C@H](CCl)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2215055805 KGUBPHFBEXTNDT-MRXNPFEDSA-N 484.059 2.981 50 10 JFGE CN([C@@H](CBr)c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2253316401 FHSXQJYIRDJJMG-KRWDZBQOSA-N 451.342 2.680 50 10 JFGE Cc1sc(CN(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2256605687 MNWYOGJUXMTGQB-MRXNPFEDSA-N 492.406 2.930 50 10 JFGE Cc1ccc([C@@H](O)CNC(=S)SSC(=S)NC[C@H](O)c2ccc(C)nc2)cn1 6280926 WTVSHZHSAFXTCM-HOTGVXAUSA-N 454.668 2.991 50 10 JFGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(Cl)cccc1Cl 727794572 OBZZAXUUWUPMND-UHFFFAOYSA-N 456.351 2.855 50 10 JFGE CN1C(=O)C(=NNC(=O)CSCC(=O)Nc2ccccc2)c2cc(Br)ccc21 1084175891 XLCXKRMNNLRUIH-UHFFFAOYSA-N 461.341 2.618 50 10 JFGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084369338 GBRHINLGFVAAPL-UHFFFAOYSA-N 495.355 2.908 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 1124109861 NMWWDBSBSFYLPG-GFCCVEGCSA-N 453.264 2.785 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)(c2ccccc2)CC1 1441526808 XIOCHOCGYNXMNH-UHFFFAOYSA-N 457.534 2.893 50 10 JFGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1478674554 AIHKGLINOYDYIP-MOPGFXCFSA-N 451.593 2.833 50 10 JFGE C#CC[C@@H](CCOC)NC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1479062293 QTRYPLFAAWQKBA-KRWDZBQOSA-N 451.593 2.527 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nnc1-c1ccc(OC)cc1 1652408903 IVLZRMBMBVLJIK-UHFFFAOYSA-N 451.552 2.930 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772746387 BCUZLDCMRHOKAK-UHFFFAOYSA-N 466.519 2.682 50 10 JFGE O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1nnc(CCl)s1)c1ccccc1 1865971475 CIMOAJQPYSSCKM-HZPDHXFCSA-N 489.893 2.751 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 1892716148 XDYPVRIVIJYXGW-CYBMUJFWSA-N 493.370 2.991 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)C2(CC2)C1 1944612314 CKTNCCZQCXNVKE-INIZCTEOSA-N 455.374 2.642 50 10 JFGE CN(CCCCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542490 KKCRRLZPQRHYEP-GOSISDBHSA-N 463.369 2.838 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2120799468 RXHCPOJTSPUKKQ-AWEZNQCLSA-N 452.415 2.612 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cccc(B(O)O)c21 2339937259 FGPYBANSVXHLLU-VWLOTQADSA-N 484.361 2.963 50 10 JFGE Cc1cc(I)c(Oc2ncc(Br)cc2B(O)O)cc1Cl 2361566983 BDOKCVIRBLBFLG-UHFFFAOYSA-N 468.281 2.883 50 10 JFGE CCOc1cc(/C=N/NC(=O)Nc2ccccc2O)cc(Br)c1OCC(N)=O 2799548 LZJMXGTZADYCPP-ZVBGSRNCSA-N 451.277 2.573 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 10154415 DBYRWWTVBRUBAF-QGZVFWFLSA-N 459.568 2.822 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814539 CYQOGGPDLHCMLO-ZXVVBBHZSA-N 478.509 2.912 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 40890060 BDQLFZFVTVKTMH-GZTJUZNOSA-N 485.452 2.713 50 10 JFGE Cc1cc(C)cc(OCC(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 59160469 WEKCWZUOUNYWFO-QCWLDUFUSA-N 496.523 2.846 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCN(CCBr)CC1 147456109 BOIPOCYUVYPIJB-UHFFFAOYSA-N 491.043 2.913 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 252623806 OZOXYAURGPJTDX-UHFFFAOYSA-N 458.309 2.513 50 10 JFGE COc1c(F)cc(Br)cc1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12 730765110 CRZHSLWPWSVCSZ-UHFFFAOYSA-N 456.293 2.712 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2cccnc2)cc1)Nc1cccc(Cl)c1 1084573661 AOUSTPDEFWOWDG-UHFFFAOYSA-N 465.897 2.519 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851679 GABXZGQSDGMHRQ-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE CC1(C)C[C@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046030066 VUUWTWPQKKLIEJ-BFUOFWGJSA-N 475.380 2.836 50 10 JFGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2103383058 AMNCLFACGSKHPI-KRWDZBQOSA-N 487.416 2.657 50 10 JFGE CCCN1CCC[C@@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2145775845 HSPYIESDTMXNQO-QWRGUYRKSA-N 476.178 2.665 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2282794753 NBAUXTDQTSVMNV-PHXKMMTBSA-N 454.077 2.912 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@@H](Br)C1 2301120638 LJMDSYOZDPRERK-WHFBIAKZSA-N 494.807 2.928 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2COC3(CCC3)CO2)C1 2301367876 HUDKBTSDBZJSKG-MELADBBJSA-N 453.317 2.764 50 10 JFGE COc1cccc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1F 2328808909 QZPAMZKODPTFDK-UHFFFAOYSA-N 476.464 2.979 50 10 JFGE O=C1CN(Cc2ccc(I)c(Br)c2)CCN1CCCl 2349828535 LETCOLLVPXFREV-UHFFFAOYSA-N 457.537 2.937 50 10 JFGE CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc2ccccc12 254667858 JEJAHZARUQIHIV-UHFFFAOYSA-N 464.591 2.995 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc(Br)o1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772116 ROWGZSACDYBMKF-ZJUUUORDSA-N 479.356 2.961 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CBr)C12CC2 2070149927 NOUCXNKXFQFENX-AWEZNQCLSA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2314755794 HTVOCIXJRDIHEM-FZMZJTMJSA-N 483.306 2.793 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2317606017 QUCTZEQSHACNCD-VWLOTQADSA-N 472.350 2.642 50 10 JFGE Cc1nc(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)c(Br)n1C 2320663296 AFLAAWAQIXFJHD-AWEZNQCLSA-N 450.786 2.984 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 10455961 DPDSQEHMIGDYKA-AWEZNQCLSA-N 451.504 2.729 50 10 JFGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623491 RHESEVOIGSDVBJ-LJQANCHMSA-N 468.579 2.550 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1I 13989159 CTAPFVMYPJVSFA-LBPRGKRZSA-N 454.264 2.837 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2[N+](=O)[O-])cc1 40657509 HXBKFYJDHGMSQB-UHFFFAOYSA-N 491.508 2.501 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 40657748 NPGRHFXFAYNBOW-UHFFFAOYSA-N 451.462 2.916 50 10 JFGE CCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1 252617402 KSAHJLVEHSWVAA-HXUWFJFHSA-N 466.563 2.717 50 10 JFGE Cc1cc(C)n(CC(=O)NNC(=O)c2c[nH]c3cc(Br)c(Br)cc23)n1 1087894664 YWFYYYXHVBQKSE-UHFFFAOYSA-N 469.137 2.967 50 10 JFGE Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865759607 JHVKTKAHEIFGFK-UHFFFAOYSA-N 456.499 2.521 50 10 JFGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867084548 HPUAOBXVCKMGGX-FQEVSTJZSA-N 499.593 2.898 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 2022849923 QHBYIRSBOWJVIA-GJZGRUSLSA-N 479.665 2.627 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)c(OC)c2)c1 2040437868 IHYRKKBCPNWQHN-UHFFFAOYSA-N 497.520 2.802 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CCCCI)C1 2248249266 VMQRGNWLFWBSPF-QGZVFWFLSA-N 454.349 2.540 50 10 JFGE OB(O)c1cc(Br)cnc1Oc1cc(I)ccc1Cl 2272658667 KFPZHBLXQSURTI-UHFFFAOYSA-N 454.254 2.574 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)(B(O)O)C2)cc1I 2342474152 ZJISDIRXHUNPCG-QGZVFWFLSA-N 474.104 2.717 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Cl)C[C@H]21 2364216794 RGQXFLBUCCDUOW-KFKAGJAMSA-N 454.976 2.643 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc(OC)c1OC 13979053 IBPUSARVPVVCAH-UHFFFAOYSA-N 488.566 2.646 50 10 JFGE Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815953 LXUUAYYMLLGYBV-LHLOQNFPSA-N 452.555 2.990 50 10 JFGE COc1cc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)ccc1I 59248720 DKDQQOFLNZNBOW-JZOCJUILSA-N 468.247 2.916 50 10 JFGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 217107545 JULSKHIDIWRSIY-JZJYNLBNSA-N 482.562 2.524 50 10 JFGE CC(C)[C@H](OC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N(C)C 729694528 JYPALLREQROBHX-NIHHCSOHSA-N 471.945 2.642 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)OCC(F)(F)F)cc2)cc1 1168306707 DSTLEWLWLUTGBY-UHFFFAOYSA-N 459.402 2.623 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)cc2F)c1 1446458099 BVVNZEDKAIKFMM-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729175 IECBKVNCBNVRIX-UHFFFAOYSA-N 492.399 2.935 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCCCc3ccccc3)C2)C1 1872962264 RUPMZGVWGQZZLV-FGZHOGPDSA-N 463.582 2.635 50 10 JFGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Br)cnn1C 1916332290 DJMGSQISYNQZLT-ZDUSSCGKSA-N 481.210 2.783 50 10 JFGE CCC[C@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541787 IWCWQVOAIDOXDO-ZWKOTPCHSA-N 463.369 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1 2106778761 HCHYSMGFJHWLPJ-GJZGRUSLSA-N 452.415 2.564 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179828012 LKMZVCBYCLNGPD-IBGZPJMESA-N 455.374 2.840 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2190120897 GGKGESMVNKKHQI-GOSISDBHSA-N 463.394 2.622 50 10 JFGE CN(NC(=O)c1cc(I)ccc1Br)S(=O)(=O)C1CCC1 2365329620 YIKNNRLBYHGPER-UHFFFAOYSA-N 473.130 2.513 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 15092859 XVOLUUNXKJIZDU-IRXDYDNUSA-N 498.605 2.928 50 10 JFGE Cn1cccc1/C=N\NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 105519711 HVVKACFXIYXKCX-NYEZYDOYSA-N 459.543 2.720 50 10 JFGE CC[C@@H](NC(=O)/C(C#N)=C\N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253318894 GZACOTKSYLXYNR-XVHKBHRVSA-N 459.612 2.676 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@H](Br)C1 399927831 LMUNLAYZKKEUBX-SECBINFHSA-N 478.000 2.996 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772081 QBZHAFJSTTXELM-GOEBONIOSA-N 468.579 2.987 50 10 JFGE Cc1nc(S(=O)(=O)N(C)C[C@@H](Cl)COCc2ccccc2)c(Br)n1C 1916332981 NGZCHIULRDDAGH-CQSZACIVSA-N 450.786 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)CC1 2046031551 GBPGPVYBWTWSRP-KUHUBIRLSA-N 475.380 2.838 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 2164503253 UAHVVBVERMGJJG-IERDGZPVSA-N 497.386 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCNC(=O)CCN(CCCCCI)CC1 2214696024 KFRAQRZLUVOUGY-UHFFFAOYSA-N 453.365 2.651 50 10 JFGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cc(B(O)O)cs1 2243663165 FMSLJCGYKQVWRR-LSDHHAIUSA-N 464.352 2.532 50 10 JFGE Cc1sc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2283981422 MFGVERSCPKQHKT-KKSFZXQISA-N 490.431 2.502 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2284020967 RYXCDDHDLKKRSE-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)C(=O)NCc1ccco1 2297471329 CDAGCNNJBNAZIK-MOPGFXCFSA-N 490.994 2.727 50 10 JFGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2321461886 LWSDAYYRVVYVSY-AZOIQLNYSA-N 475.380 2.834 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1OC 40583762 JTJHZTGROWBGHT-UHFFFAOYSA-N 483.441 2.722 50 10 JFGE COC[C@@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822869 XZUDKTBEGWXKNM-KHILGYJSSA-N 463.332 2.981 50 10 JFGE Cc1sc2ncn(CCC(=O)NNC(=O)c3cc(F)ccc3Br)c(=O)c2c1C 728548896 UTBMPNCPFSIKMC-UHFFFAOYSA-N 467.320 2.828 50 10 JFGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1 1648432914 PHMRCXNAPNZYNE-UHFFFAOYSA-N 453.524 2.756 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771556 ABKCLMYWMBSXBW-OAHLLOKOSA-N 454.552 2.741 50 10 JFGE CN(CC1(CBr)CC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915499952 TXKWMPHMICFARQ-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE CC(C)(C)OC(=O)NCCc1ccc(CNS(=O)(=O)CI)cc1 1983328109 UDAYFCSMGUZHIG-UHFFFAOYSA-N 454.330 2.566 50 10 JFGE CN(C1(CBr)CCSCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004290105 YWCWFXKYFHPTHI-UHFFFAOYSA-N 475.430 2.595 50 10 JFGE C[C@H](Br)[C@H]1CCCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023020 OWDHXVKVIJSYCF-CRFBAAHOSA-N 475.380 2.979 50 10 JFGE O=C1CN(C(=O)c2cccc(Br)c2Br)CCN1CCBr 2171077360 NHSZEZVEFRPVKT-UHFFFAOYSA-N 468.971 2.891 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@](NS(=O)(=O)N3CCC(Br)CC3)(C2)C1 2203600065 FVOOZLVYXOHVDN-KBXCAEBGSA-N 466.442 2.860 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(OCCCCl)CC1 2207531744 NISOFLXTAYIFIC-UHFFFAOYSA-N 456.992 2.893 50 10 JFGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 58992048 JWJPOFJIXIAVGJ-YDZHTSKRSA-N 485.526 2.694 50 10 JFGE COc1cccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1OC 59463972 CUGFEQOFUCUQAF-AFUMVMLFSA-N 467.547 2.872 50 10 JFGE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cc(Br)cn1C 110673845 NROXBMFWUWXROD-SFHVURJKSA-N 461.360 2.548 50 10 JFGE COOC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@@H]43 606575525 VZNKQKIVYCSTMY-RUXAHFJTSA-N 456.495 2.751 50 10 JFGE CCOC(=O)c1ccc(NC(=S)NNC(=O)CSc2cc(OC)c([N+](=O)[O-])cc2OC)cc1 1615947784 AUEVWGUJSJQXKS-UHFFFAOYSA-N 494.551 2.899 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860771778 HMVIJGANZYSHNC-GJZGRUSLSA-N 468.579 2.933 50 10 JFGE CC[C@@](C)(CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546307 ZLTMXEKPKBGASV-ROUUACIJSA-N 463.369 2.884 50 10 JFGE C[C@H]1C[C@H]1N(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002033890 BGBLZADMUOXYEC-XJKSGUPXSA-N 457.390 2.744 50 10 JFGE O=C(C=Cc1ccc2c(c1)OCO2)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2040439812 SDJUZKRLEADIHM-UHFFFAOYSA-N 468.469 2.648 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CCBr)C1 2046025106 GNKBXMNEAARIKJ-UGSOOPFHSA-N 493.420 2.543 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106306096 VRMNPJQEPIQHGA-ZIAGYGMSSA-N 454.431 2.573 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2222899825 OZBMRXSTHNMFRB-MGPUTAFESA-N 469.401 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2[C@H](CBr)[C@H]2C1 2311900181 ADZQWLGXEIHETC-WBAXXEDZSA-N 469.401 2.746 50 10 JFGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)o1 2313619229 RLRVKQTUUJNRSF-UHFFFAOYSA-N 452.330 2.773 50 10 JFGE C[C@H]([C@H](Br)c1c(Br)c(Br)nn1C)S(=O)(=O)N(C)C 2316719023 ZSJKTKPREIHJNO-RITPCOANSA-N 468.009 2.661 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(B(O)O)c(F)c1 2318673879 UIUGSWITFKPANC-UHFFFAOYSA-N 480.276 2.902 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(CCOCCI)C1 2326642434 SIZFXNAAYSQLPG-HNNXBMFYSA-N 468.376 2.976 50 10 JFGE CNC(=O)/C(C#N)=C\c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 2207436 PWTYVIMTKIRUNQ-LGMDPLHJSA-N 462.941 2.636 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 13621185 PWUMHHQWRYUVRW-VGOFMYFVSA-N 485.562 2.766 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 14040731 JECSOYOBEMPMHW-UHFFFAOYSA-N 495.557 2.868 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C1 15093016 KTRUCKKLMWSGBA-MRXNPFEDSA-N 454.552 2.674 50 10 JFGE O=C(N/N=C\c1ccc(Cl)cc1Cl)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891852 CEGNPPYHKXTDCO-FGJCKKKHSA-N 450.307 2.749 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(C)c1ccc([N+](=O)[O-])cc1 253565584 HXGCYVULCHOOMQ-UHFFFAOYSA-N 491.537 2.798 50 10 JFGE COc1cccc(-c2c(C(=O)NN=Cc3cccc4ccccc34)nnn2-c2nonc2N)c1 254288589 MFEKPTBAJHLDLS-UHFFFAOYSA-N 454.450 2.825 50 10 JFGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1Cl 729455506 IEWKMSYWKXMWAH-UHFFFAOYSA-N 495.348 2.568 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 746183966 AYAATSYEIAEIRM-UHFFFAOYSA-N 450.444 2.703 50 10 JFGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1866128784 LRQMTMVHZVOKMA-NRJHKNTJSA-N 493.317 2.756 50 10 JFGE CN(C1C[C@@H]2C[C@H](C1)CN(C(=O)OC(C)(C)C)C2)S(=O)(=O)CI 1901585110 YRWGZCSGFRKYCY-FUNVUKJBSA-N 458.362 2.676 50 10 JFGE Cc1nc(I)c(I)n1-c1ncc(CCl)cn1 1936386801 AHIQSRRKAVAYND-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NS(=O)(=O)CI)C(C)(C)C 1983328365 WPWZXQAGKMFNAR-ZQJOYCHOSA-N 482.406 2.746 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(F)(F)F)CCN1S(=O)(=O)CI 2007719184 HVHYUOMCDRADCG-NXEZZACHSA-N 486.294 2.876 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2169635797 VGJXAPQMDRPKBO-KDOFPFPSSA-N 466.442 2.860 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cccc(F)c1I 2178902471 GPMRSRLNFWDDJK-VHSXEESVSA-N 455.109 2.970 50 10 JFGE O=S(=O)(C1CCC(CBr)CC1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179830539 MDOFLTASCHJYJS-PEVDHWGLSA-N 457.434 2.855 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2OCC[C@]2(CBr)C1 2296378847 VHOVEEZDGGIDGQ-JSGCOSHPSA-N 452.086 2.623 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2301662340 NWZKPZNVSJPIST-QFIPXVFZSA-N 478.379 2.704 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C[C@@]1(CBr)CC1(F)F)C2 2379987209 FHQVXTHCIRJVEY-DLBZAZTESA-N 455.340 2.745 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccs2)cc1I 13979384 OQUGYKUMJZVSOP-FNORWQNLSA-N 487.344 2.710 50 10 JFGE COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc(Br)c1OC 33959161 OTQCPJAVGFERNJ-LSFURLLWSA-N 454.708 3.000 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 39918726 ASCATBVAOUIFHK-HHHXNRCGSA-N 468.513 2.722 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657904 WONKFVLIKJZXII-UHFFFAOYSA-N 499.329 2.626 50 10 JFGE COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC 100301684 FOYYLEKQGWSNQI-QCWLDUFUSA-N 486.528 2.543 50 10 JFGE C[C@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 102673580 UEYRWEFMISMUDN-LEXKCHRASA-N 459.462 2.655 50 10 JFGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)c2ccc(Br)s2)CC1 727473786 VGTKEINACCYHFH-UHFFFAOYSA-N 455.334 2.661 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860770781 XEGZQBKOFFCJGQ-NWDGAFQWSA-N 480.999 2.807 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860771255 OKMWSLRUPMYRDX-UONOGXRCSA-N 484.578 2.551 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1[N+](=O)[O-] 1860771517 ZAUDRCSPVYYNKE-NWDGAFQWSA-N 485.522 2.522 50 10 JFGE CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1865852522 ZWOZSTIICLNLNP-UHFFFAOYSA-N 485.566 2.577 50 10 JFGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 1879300376 LWIHPRSQGCBMHV-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE O=C(NCCOCCCI)c1cc(I)ccc1O 2042204285 SPAFQHMGMJZQII-UHFFFAOYSA-N 475.064 2.568 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2106988519 HSDZSIAOAZVAOH-UKRRQHHQSA-N 457.312 2.637 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2108227035 CQUZGMSTLCBETF-AUSJPIAWSA-N 487.391 2.979 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1ccc(I)c(Br)c1)N1CCOCC1 2145637562 ZRJRKHQHOWMKDE-LLVKDONJSA-N 494.576 2.996 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179870452 LZPPMYOJSSCLSW-AEFFLSMTSA-N 453.406 2.980 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188887432 RZHLAGRYOVPYGN-IEBWSBKVSA-N 453.406 2.563 50 10 JFGE CCOC(=O)C1=C(COC(=O)C(C#N)=Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 2297436302 NMYAPFXMKRQJAL-QFIPXVFZSA-N 478.505 2.976 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CCl)C[C@H]1CCCO1 2364214048 KMFRNJPYICBXPH-IAGOWNOFSA-N 456.992 2.939 50 10 JFGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 12503179 RNOPAJNHPPZDPW-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 13979826 TXHKVQQOWYBCJO-UHFFFAOYSA-N 457.295 2.925 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 14657090 QAJGMKBKVDCAMD-UHFFFAOYSA-N 465.959 2.697 50 10 JFGE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 17200757 BKRRRKJGJDYRCR-KRWDZBQOSA-N 485.537 2.841 50 10 JFGE COc1ccc(Nc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c(OC)c1 40619626 UZWOMWNBICPNMV-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cccc(F)c3)nnn2-c2nonc2N)cc1 254851641 QFZBHPLISZDDQG-UHFFFAOYSA-N 450.434 2.591 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 703967975 WIKKPZCZTXXSMA-CABCVRRESA-N 471.417 2.992 50 10 JFGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)cc2)C1 728260889 LJJPAJMKXMBEEQ-GASCZTMLSA-N 486.015 2.630 50 10 JFGE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NNC(=O)c1ccc(Br)cc1 1116005769 QHRURLQCVLTNPU-HNNXBMFYSA-N 479.718 2.769 50 10 JFGE N#CC1=CCN(C(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)CC1 1630798868 IASGUEIHRVGUSG-IBGZPJMESA-N 451.552 2.795 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCC12CCC(Br)CC2 2023651742 BDNOISIKWYAEOS-UHFFFAOYSA-N 455.374 2.785 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1scc(Br)c1Br 2057669679 MERBMJDYKFNCHH-NTSWFWBYSA-N 482.013 2.563 50 10 JFGE CN(CCCBr)S(=O)(=O)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2123284909 TTYPMXJZNGLTDU-UHFFFAOYSA-N 454.381 2.791 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCCC[C@]2(CBr)C1 2222899826 OZBMRXSTHNMFRB-QRWLVFNGSA-N 469.401 2.890 50 10 JFGE COC(=O)c1ccc(-c2ccc(C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 2296854989 LJQQGZYFCPKKAW-QGZVFWFLSA-N 480.498 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCSC[C@H]1CBr 2316823107 XXLOAUGRAJWAQO-OAHLLOKOSA-N 489.457 2.985 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H](OCCBr)C1 2338849434 IJEYGYTXTBYSRT-MRXNPFEDSA-N 487.416 2.659 50 10 JFGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623505 GZOBLZMITNWDRC-IBGZPJMESA-N 482.606 2.796 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 33370453 ILDYVSBUCGWJHT-SILNSSARSA-N 496.589 2.862 50 10 JFGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 59471843 VMTYLFPUHJALIW-FCDQGJHFSA-N 457.328 2.798 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 703993980 NJMTXBJHWYVUOM-CZUORRHYSA-N 457.390 2.744 50 10 JFGE COc1cc(OC)c(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1Br 1084517636 ASXBTBYNXXMKIP-UHFFFAOYSA-N 454.708 2.886 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(C)C[C@H]3Br)CC2)cc1 1131375203 IYZNCMRZRRQDKX-MJGOQNOKSA-N 457.390 2.580 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)c1cc(C)nc2ccccc12)c1cccc(Br)c1 1448200855 MRIHMHIHJRQROR-IBGZPJMESA-N 455.312 2.944 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)c23)C1 1860769784 IAMIRLDVFWYANX-LYTYMJBXSA-N 454.596 2.947 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2009713539 BOHUASWYRNTGBP-DEOSSOPVSA-N 458.323 2.868 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@H]2Br)c(Br)c1 2076166042 VSKOCGDIPPACAQ-IYSWYEEDSA-N 462.989 2.856 50 10 JFGE C=CC[C@@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2082205485 WZMCZRNJJJUBIG-OALUTQOASA-N 475.380 2.908 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2146692136 IUPSHIMEYZNYRF-UFGOTCBOSA-N 452.086 2.764 50 10 JFGE C/C(=N\Nc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1)c1ccc(Br)cc1 59880994 INROHMYLMLBHQS-KKBVUKDESA-N 468.381 2.687 50 10 JFGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217241297 BKBQHHHUHGIIOW-VXPUYCOJSA-N 496.589 2.996 50 10 JFGE O=C(Cc1cccnc1)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 728891818 HFDSXMOQEPQFRP-UHFFFAOYSA-N 489.351 2.649 50 10 JFGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1c(C)nn(-c2ccccc2)c1C 746485487 XAOFDXGKOQCLSH-UHFFFAOYSA-N 481.578 2.664 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCS(=O)(=O)C2)c(-c2ccc(Cl)cc2)n1 914453489 GJTQULVSVITNCP-ZXMBATIKSA-N 457.943 2.575 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C45CC6CC(CC(C6)C4)C5)c(=O)c23)C1 1860769785 IAMIRLDVFWYANX-ZBNOLQPOSA-N 454.596 2.947 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)cnc2s1 1860770114 UGWVDBPNQHSDET-UHFFFAOYSA-N 455.323 2.554 50 10 JFGE COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1860770787 XGEQIUNOBRPULM-UHFFFAOYSA-N 478.530 2.668 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770959 DGOPONCAWIRFAX-VXGBXAGGSA-N 455.496 2.513 50 10 JFGE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNS(=O)(=O)CI 2007718121 GADQAJBJBJVRCY-CQSZACIVSA-N 466.341 2.660 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 2164503254 UAHVVBVERMGJJG-IIBYNOLFSA-N 497.386 2.936 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CCl)C1 2176634650 DZYBKXKFZDLXCF-ZCNNSNEGSA-N 460.930 2.774 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 2296724873 ULMBAZYUTAKFRY-MRXNPFEDSA-N 498.948 2.659 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@H]2COC3(CCC3)CO2)C1 2301367875 HUDKBTSDBZJSKG-IHRRRGAJSA-N 453.317 2.764 50 10 JFGE CCOc1cc(C=NNC(=O)c2cccn(Cc3ccccc3)c2=O)cc([N+](=O)[O-])c1OC 2323640934 DQHGMDDJWKMLBG-UHFFFAOYSA-N 450.451 2.976 50 10 JFGE COc1cc(Br)c(CNC(=O)NNC(=O)CCOc2ccccc2)cc1OC 727173258 TUDRELHZEHQLTJ-UHFFFAOYSA-N 452.305 2.766 50 10 JFGE COc1cccc(-n2c(CC(=O)NNC(=O)C3=COCCC3)csc2=NCc2ccco2)c1 730767972 VHPKLTOQALZTQR-UHFFFAOYSA-N 468.535 2.626 50 10 JFGE CC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N)c1ccc2c(c1)OCO2 1084230580 QIWOUNVOLAAFCZ-UHFFFAOYSA-N 489.355 2.783 50 10 JFGE Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772083 QBZHAFJSTTXELM-ZBFHGGJFSA-N 468.579 2.987 50 10 JFGE CN(C(=O)OC(C)(C)C)C1(C)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106775084 UCWZQUGBNRYQFL-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)Nc2ccccc2)cc1I 13977102 KMRABRKXESZRJH-UHFFFAOYSA-N 454.293 2.941 50 10 JFGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1Br 14018244 JJCOCIKHQOLKLK-UHFFFAOYSA-N 478.368 2.651 50 10 JFGE Cc1nc2ccccn2c(=O)c1Cc1nnc(Sc2ccccc2CNC(=O)CCl)n1C 97733588 IOTIPCQVUSYPJL-UHFFFAOYSA-N 468.970 2.728 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)c2C)C1=O 1219059213 FQKICBQIIIBXGH-AWEZNQCLSA-N 457.462 2.543 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 1303280437 IXAAYXRIJMKPQN-IBGZPJMESA-N 451.508 2.507 50 10 JFGE CC1CC(CBr)(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2012915653 OFHQUVILSUXCCY-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE Cc1ccc(N2C(=O)C(=CNNC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 2040441382 CADJXJZULCWBCH-QHCPKHFHSA-N 455.470 2.984 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065387882 BVKADGSQMGFNDS-ZSHCYNCHSA-N 469.401 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]12CCC[C@]1(CBr)C2 2086663740 FKNUWXKVRMMYGQ-UXHICEINSA-N 469.401 2.938 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2127908084 VQYFPEJIGYRIAQ-GXTWGEPZSA-N 454.431 2.620 50 10 JFGE O=S(=O)(c1ccccc1CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179822905 BWMDCYSBJCIHFT-MOPGFXCFSA-N 451.386 2.855 50 10 JFGE CC[C@@H]1[C@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2251026727 XUUKYNKKGGIUJL-RKVPGOIHSA-N 461.353 2.588 50 10 JFGE C=CC[C@@H](Br)[C@@H]1CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2299341129 OKWOIHKARVVQEH-SJORKVTESA-N 455.374 2.807 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1I 2313617303 ZSXZDZGKMFXGHT-UHFFFAOYSA-N 499.305 2.788 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2314792827 GJUURYVAOTUDAP-UHFFFAOYSA-N 496.432 2.805 50 10 JFGE Cn1cnc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2337323471 IKTRGRBUHFHEAP-UHFFFAOYSA-N 457.991 2.618 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(OCCCBr)C1 2338833332 KYKHDARNIPOYKI-UHFFFAOYSA-N 487.416 2.659 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 12571597 AWWRNEFXIOLRHT-UHFFFAOYSA-N 492.557 2.970 50 10 JFGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13986971 IVVVFLLIOZDYFV-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE CCCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 15895423 WBLDBFJPEXWUJJ-UHFFFAOYSA-N 481.561 2.551 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCC(C(=O)O)CC2)c1[N+](=O)[O-] 40659572 SVXKWRXWTSUERU-UHFFFAOYSA-N 485.284 2.515 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCC(=O)NN=C(C)c2ccc(OC)cc2OC)c(OC)c1 257354756 ZQTFIYLIJIZVAN-UHFFFAOYSA-N 470.526 2.882 50 10 JFGE CC(=NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 747615280 SNHGLPOODAOIGL-XMMPIXPASA-N 462.575 2.801 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cc(Br)c[nH]1 750843762 PMQXZGNSMNEMCJ-CQMMPMSNSA-N 463.376 2.746 50 10 JFGE C[C@@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083919484 WVTZWTFGQITBHM-MRXNPFEDSA-N 499.552 2.726 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-] 1084472240 SBZTWZVPIFKUBI-UHFFFAOYSA-N 466.519 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CCO 1260508461 OMIOHJSWGYXBNG-HNNXBMFYSA-N 463.394 2.574 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(Cn3nc(C)nc3C)c2)cc1 1667609120 QJFHEKCXJMKUDQ-OAHLLOKOSA-N 450.499 2.766 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 1859513637 OFDLFHOLRXLDFY-FOWTUZBSSA-N 454.533 2.863 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C12CCC2 2106299061 UKLGZWGMBWCPGR-UONOGXRCSA-N 452.415 2.516 50 10 JFGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc(CCCl)cc1)OCc1ccccc1 2162587144 QPSLJLOUHKMXNV-UXHICEINSA-N 452.960 2.830 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)C[C@@H](Br)C1 2316821130 BQXGEVFGLIHEDC-CABCVRRESA-N 475.380 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(CCOCCI)CC2CCOCC2)C1 2326653361 HBZFZZFPZNYGLF-UHFFFAOYSA-N 468.376 2.786 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cccc(Br)c1Br 2335764758 WRIYUJMKNLEOJZ-UHFFFAOYSA-N 478.000 2.751 50 10 JFGE COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 48572055 OXDGOXGEQVGHJW-JFLMPSFJSA-N 461.474 2.803 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(F)cc2F)c1CSc1ccccc1 254701643 SGGONSJKZKSXCJ-UHFFFAOYSA-N 456.438 2.567 50 10 JFGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254740318 PCQLHOUVUJEOFE-VVKIGBCCSA-N 481.603 2.874 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)c1ccccc1Br 1084279201 JODZLWMRISKEGO-UHFFFAOYSA-N 498.424 2.860 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(F)cc(F)c2F)cc1 1639623388 FECQIEOTQMMKRP-SFHVURJKSA-N 455.458 2.993 50 10 JFGE C=CC1(CC(=O)NNC(=O)CSc2ccccc2[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C1 1640876065 VAKYSWSCTSPARM-UHFFFAOYSA-N 450.517 2.648 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC[C@@H](Br)C1 1942097227 GUYPDIBVRBVIGI-LSDHHAIUSA-N 457.390 2.936 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]2CC[C@@H]21 2070000169 HWLHFNSCZJSBSF-ULQDDVLXSA-N 469.401 2.886 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163055509 IQTZQLZEAUCNTO-RBVVOMGSSA-N 466.442 2.858 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]21 2163057074 YDQVUJDEEREEAC-GOEBONIOSA-N 466.442 2.812 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179866259 FCFUCBUYJXNIHP-RTBURBONSA-N 454.390 2.574 50 10 JFGE CN(C[C@@]1(Oc2cc(B(O)O)c(Cl)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2294915158 CATFROFYQOHWIC-DEOSSOPVSA-N 489.809 2.695 50 10 JFGE CCC(C)=NNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(I)cc1 2296735001 YHNUGHUVEQTJQK-HNNXBMFYSA-N 465.357 2.886 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2301117599 RLOPVCVGFIQORX-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)[C@@]2(CCCOC2)C1 2306801367 FZEKELMAVTXAEG-PBHICJAKSA-N 454.349 2.586 50 10 JFGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2325893299 IJXNLYRNLAPKNP-HNNXBMFYSA-N 466.563 2.842 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Cl)[C@H]1C(F)(F)F 2370238579 OYWWVLAZUCVKHC-KEYYUXOJSA-N 470.872 2.975 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(C)CN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2379777199 KPLOCOPVVVFSBR-OAHLLOKOSA-N 476.384 2.572 50 10 JFGE C[C@@H](O)CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 59165365 JOFOKWUUXYSKKV-XIJPWPHISA-N 463.275 2.963 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1 96557564 ACYHDNAFPLXPLI-JYRVWZFOSA-N 465.959 2.854 50 10 JFGE O=C1NC(=O)[C@@H](c2cc(I)ccc2Br)[C@@H]1Br 300886453 BHKANBYEUJRIDT-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)n1 727942306 DMEZYDKAUZZJOY-HNNXBMFYSA-N 473.580 2.635 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCc2c[nH]c3cc(F)ccc23)c1 747985694 AAIMSRDFVUHWFO-UHFFFAOYSA-N 475.546 2.524 50 10 JFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770758 WEQKOMJTHCUFDD-CQSZACIVSA-N 490.607 2.533 50 10 JFGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1865756952 GKUKNKDJBITWCX-CYBMUJFWSA-N 464.428 2.781 50 10 JFGE CC[C@H](Cl)C(=O)Nc1c(I)nc(C)nc1I 1984092483 CWJOYXPJMBBMKC-YFKPBYRVSA-N 465.460 2.950 50 10 JFGE Cc1nc(I)c(NC(=O)C[C@H](C)Cl)c(I)n1 1984095218 WNPOBZHRZLVOAG-BYPYZUCNSA-N 465.460 2.950 50 10 JFGE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1ccc(CBr)cc1 2106303105 QYYLUWDGGIGMMV-UHFFFAOYSA-N 451.383 2.791 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2[C@H](CBr)C1 2119645181 PWYJFKBPERZPDL-MRXNPFEDSA-N 477.380 2.997 50 10 JFGE COC(=O)[C@@H](CCCl)NC(=O)c1ccc(Br)cc1I 2142286071 XCYYJXGSLVJTHW-SNVBAGLBSA-N 460.493 2.954 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](N(C2CC2)S(=O)(=O)N2CCC(Br)CC2)C1 2163054964 BUGTVIDNTVESFK-MRXNPFEDSA-N 466.442 2.954 50 10 JFGE Cn1cc(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(CCl)n1 2179993181 WSIJXAHOHKBQNR-UHFFFAOYSA-N 452.964 2.725 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)c(F)c1F 2248400836 BNCFNTZJTIDPJM-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE O=C(NCCNC(=O)c1cc(C(F)(F)F)ccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2267327422 UMEFEFMRRJDYRH-UHFFFAOYSA-N 498.266 2.654 50 10 JFGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(C(=O)c2ccco2)CC1 2325409458 VDEPRMWLWXLOQV-UHFFFAOYSA-N 490.301 2.997 50 10 JFGE CN(NC(=O)c1ccc(I)c(Br)c1)S(=O)(=O)C1CCC1 2365318763 LWCNOOYASUTABO-UHFFFAOYSA-N 473.130 2.513 50 10 JFGE CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)s1 17200693 RISABLYYGODZKS-UHFFFAOYSA-N 491.566 2.633 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccccc1Cl 40658308 ZKTAGWHLSOQRIY-UHFFFAOYSA-N 454.878 2.517 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 746185853 ZUYGBTOWMXTQAY-UHFFFAOYSA-N 492.506 2.581 50 10 JFGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)COc3ccccc3-c3ccccc3)[C@H]2C1 1229620162 KKNBVJCBWPPPOX-BVSLBCMMSA-N 450.539 2.710 50 10 JFGE CC(C)N(CC(=O)N[C@H](C)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867232982 ICPBFNYPEVUWRZ-OAHLLOKOSA-N 478.571 2.941 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]1(C)CCBr 2025223389 LNVUHOKFPXLNST-IBGZPJMESA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCCC[C@@H]1Br 2046030356 XMXWVRYPJZUSDU-AZOIQLNYSA-N 475.380 2.884 50 10 JFGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2064381236 GEBMIKXHBGXPLZ-ORAYPTAESA-N 475.380 2.836 50 10 JFGE CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106774019 NZXWZIKXXGVVPZ-CQSZACIVSA-N 454.431 2.669 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(CCC[C@@H]2Br)C1 2108245417 TZGRKUJWSYWQEB-VDGAXYAQSA-N 487.391 2.980 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2317670969 JENMURSWNPVDCY-DEOSSOPVSA-N 470.334 2.573 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1COC(C)(C)[C@@H]1Br 2338690069 CBLDFPFCUXYASK-YLWLKBPMSA-N 459.964 2.616 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CCC(Br)CC1)[C@@H]2F 2358237172 GDXJVKBZFYTQNW-QPSCCSFWSA-N 470.405 2.559 50 10 JFGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623606 IOLWWEHEJCUNGF-VQIMIIECSA-N 468.579 2.548 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1Br 14662098 PUJZPZXSYYVQCH-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC 33932407 FLKGWQLJLGIRSJ-LJJBLSSYSA-N 493.560 2.644 50 10 JFGE CCN(CC)Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)o1 109420616 NZRNXOZFAVCUSF-SFHVURJKSA-N 458.534 2.503 50 10 JFGE COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1O 169920759 SKMSBUYYDIBRCG-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@@H](CBr)C2 1951021461 MOJFKWHVNWLAPD-JKIFEVAISA-N 455.374 2.640 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CCC1 2046025950 NCYZUNIUTGXJFP-IFXJQAMLSA-N 475.380 2.741 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)C1 2106777296 RIEWAEAKGJIVEA-YMXBGEKHSA-N 451.438 2.907 50 10 JFGE O=S(=O)(N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1)N1CCCC[C@H]1CBr 2179809835 YRRKFLTYNYUDJF-UFYCRDLUSA-N 456.450 2.935 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F 2186715463 NFEBWGUECPSDDR-AWEZNQCLSA-N 467.311 2.742 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](O)(CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2238454146 KGNWFSYQERLIMV-GOSISDBHSA-N 463.394 2.622 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(B(O)O)c(F)c1F 2248896033 RTNLLWVKYKYCIZ-UHFFFAOYSA-N 466.249 2.512 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2248900915 HHKDAWNHWVSICN-HXUWFJFHSA-N 479.367 2.715 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2257347037 WCDDKYGEYBCIOC-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CBr 2316815296 LYLDPAATASSKEI-BMGDILEWSA-N 469.401 2.888 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2317611699 CXRHKSADHUTYIH-NYHFZMIOSA-N 493.394 2.660 50 10 JFGE Cc1cc(B(O)O)c(C)cc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319027727 WCUTYQALGHQKET-UHFFFAOYSA-N 470.334 2.993 50 10 JFGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)o1 13978531 RLRVKQTUUJNRSF-SOFGYWHQSA-N 452.330 2.773 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)CC1 40814524 SIMYRNJBPALROT-LGUFXXKBSA-N 496.520 2.921 50 10 JFGE O=C(NN=Cc1ccccc1O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=Cc1ccccc1O 254406208 FPCVCFMQDZBZAX-UHFFFAOYSA-N 473.445 2.690 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 920852971 DBQCURVWVNHTCN-FYJGNVAPSA-N 468.517 2.871 50 10 JFGE C#CCN(C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1520934885 GMWOMNYAPKTCAM-VOSMRYOYSA-N 451.548 2.659 50 10 JFGE C#CCCCC(=O)NNC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1558513362 AJULRGPMJAICSF-LJQANCHMSA-N 451.527 2.501 50 10 JFGE C#CCCCC(=O)NNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1652536764 YATXTNCPWAUHAH-UHFFFAOYSA-N 453.524 2.969 50 10 JFGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 1654118425 MBFFZURKJHMQNN-UHFFFAOYSA-N 459.546 2.895 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccccc1 1674021240 WESJLLBPHNYCSY-QFIPXVFZSA-N 451.490 2.707 50 10 JFGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)NCCCBr)c[nH]c12 1866448329 ROVSSKWQPIMLTH-UHFFFAOYSA-N 482.375 2.677 50 10 JFGE CN([C@@H]1CCCC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046028228 HCDZSQGJNLTYQT-MDZRGWNJSA-N 475.380 2.979 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106299930 ATXICFQSPOXZHV-QGZVFWFLSA-N 454.431 2.717 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179817187 WASCGSBBJAJAMD-LPHOPBHVSA-N 453.406 2.756 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2218485946 IGYFCKUTGLHCJO-RVKKMQEKSA-N 469.401 2.888 50 10 JFGE COCCn1c(C)cc(C=C(C#N)C(=O)Oc2ccc(CC[C@]3(C)NC(=O)NC3=O)cc2)c1C 2297430385 CFOKUJGZNJFTDC-VWLOTQADSA-N 464.522 2.795 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCSCCCBr 2299188701 SSKPGRVJXIEKKP-UHFFFAOYSA-N 477.446 2.891 50 10 JFGE Cn1nc(Br)c(Br)c1[C@H](Br)CS(=O)(=O)N1CCCC1 2338706201 VFSWKQKPBDNUPG-SSDOTTSWSA-N 480.020 2.807 50 10 JFGE C/C(N)=C(/C#N)C(=O)COC(=O)CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9493795 JJMCMELUIYMVFT-WYMLVPIESA-N 454.533 2.753 50 10 JFGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1cccs1 58991679 KCNQJLUGMFSRIN-RGVLZGJSSA-N 490.527 2.950 50 10 JFGE N[C@@H](CSSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 196602969 IYIHYJPRXJXCRY-ZWKOTPCHSA-N 462.549 2.772 50 10 JFGE COOC(=O)[C@@H]1C[C@@]23CCCN4CC[C@]5(c6ccc7c(c6N(C(=O)OC)[C@@]15CC2)OCO7)[C@H]43 606575527 VZNKQKIVYCSTMY-XAHIDURMSA-N 456.495 2.751 50 10 JFGE COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)NC(C)C)c2)cc1Cl 745146198 BHEBGVUXLSUQPI-UHFFFAOYSA-N 484.962 2.819 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 1083994881 IFIGMPLPGXEKPM-UHFFFAOYSA-N 481.530 2.827 50 10 JFGE C[C@@H](C(=O)NNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770899 BHHWZMUDTZXOEL-BBVLPBNKSA-N 481.534 2.913 50 10 JFGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865759558 GWCLIBKATWVXPG-UHFFFAOYSA-N 474.489 2.660 50 10 JFGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179814622 FKVOCXGTZOGYRL-GOSISDBHSA-N 455.422 2.953 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H](CBr)C1CC1 2301116966 KSIIMERNKADGSB-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2306883238 JSFADBYQRVYXAS-ZDUSSCGKSA-N 466.249 2.510 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(F)c(F)cc1B(O)O 2326789729 ZABGSZJBCUGAPM-JOCHJYFZSA-N 480.276 2.900 50 10 JFGE COc1cc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(O)c(OC)c3)cc2)ccc1O 8566270 VNAFOTHAZIKKNM-UHFFFAOYSA-N 462.462 2.643 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc([N+](=O)[O-])cc1 11035592 KAWXBQMJBQTJLU-UHFFFAOYSA-N 473.077 2.960 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 254438847 GDVZUPSVOYKJLR-UHFFFAOYSA-N 481.530 2.827 50 10 JFGE O=C1NC(=O)[C@@H](c2ccc(I)cc2Br)[C@@H]1Br 300897715 JGOVCWILFLGHFI-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE CC(C)(C(=O)NNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1 731174971 JYSJXDAHKKMJSI-UHFFFAOYSA-N 458.312 2.560 50 10 JFGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 1084026457 CLXDRRASLTYANT-UHFFFAOYSA-N 474.517 2.788 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1466154274 WZWXGYCQYVGMBV-CQSZACIVSA-N 450.430 2.706 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](CBr)C1 1942095764 VTPKEEOUYGJCPC-HUUCEWRRSA-N 457.390 2.936 50 10 JFGE CN(C1(CBr)CCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542322 UXQKGWCRJFEIEW-QGZVFWFLSA-N 461.353 2.590 50 10 JFGE C[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OCc2ccccc2)C1 2044259481 IYNDKZVWPBDUDK-LJQANCHMSA-N 474.421 2.871 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]1CNC(=O)OC(C)(C)C 2106778391 CRNJFKCFBOUEFO-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163059120 QNWBUMUJCJJUBP-GDBMZVCRSA-N 466.442 2.812 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC12CC2 2172011828 ZELXBQLZXDNZDT-CQSZACIVSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C1CC1 2198269080 DNJKANCMESTUKG-HZPDHXFCSA-N 466.442 2.858 50 10 JFGE Cc1c(Cl)cc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2247751390 XBXKHUYRUKQVPT-UHFFFAOYSA-N 478.741 2.597 50 10 JFGE CN([C@H](CBr)c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2253316402 FHSXQJYIRDJJMG-QGZVFWFLSA-N 451.342 2.680 50 10 JFGE CCOc1cccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)c1OC 2323176889 SKHBZBHAAXNASJ-KRWDZBQOSA-N 455.496 2.674 50 10 JFGE C[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H](CBr)O1 2338860227 JXLHFHFPVKMDSF-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE COc1ccccc1[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(C(C)=O)c2ccccc21 2432526 XRHFDTWTIOFGQB-PVPMGCCUSA-N 455.470 2.951 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 13976428 DYPRYYUZYYLXOT-UHFFFAOYSA-N 475.567 2.724 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14020713 IUOHJWFVLJYLSV-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14655724 SKTDITRGWQYVSK-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)C1 1860770555 NEIPWMASGUDPRK-RYUDHWBXSA-N 480.999 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CCl)C[C@H]1C(F)(F)F 1877501327 RVWAWHKZIRPAOR-PBHICJAKSA-N 452.882 2.790 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304955 KNAQGCWNCMEDKL-CABCVRRESA-N 454.431 2.906 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40657990 YDKPNCNEDCLFRM-UHFFFAOYSA-N 455.425 2.747 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 215727605 FSLKNVJZUZSDSY-SZVBFZGTSA-N 450.630 2.571 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2ccccc2C(F)(F)F)nnn1-c1nonc1N)C1CCCCC1 254296399 SJKQDJWWOXROPP-UHFFFAOYSA-N 491.478 2.780 50 10 JFGE COc1ccc(/C=C\C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 254619676 WEUFUBOFUOAZAW-JNLNYZJOSA-N 468.513 2.892 50 10 JFGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)c1 254758361 GDPFIAWIZMTTFS-UHFFFAOYSA-N 474.473 2.800 50 10 JFGE COc1cc(C(C)=NNC(=O)c2ccccc2NC(=O)Cc2ccccc2)ccc1OCC(N)=O 1084011323 YTGGSAIULIWVCV-UHFFFAOYSA-N 474.517 2.895 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772046 PHVIJVKJYNBAGV-KGLIPLIRSA-N 454.552 2.543 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)C1 1872963135 ZJAHRFRGPCIKBM-CVEARBPZSA-N 491.470 2.715 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2cc1OC 1873793054 UGMPJPJVOUIUKP-LVGSUZFTSA-N 462.503 2.883 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@@H]21 1940522636 CSXQXSOBXBMLOT-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](CBr)C1 1942374984 LSVRXDKZDJTPOZ-KGLIPLIRSA-N 457.390 2.792 50 10 JFGE C[C@@H](Br)[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117552 PDLONFFAYYMWAX-CDHAZOANSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2032218190 ADZQWLGXEIHETC-JLSDUUJJSA-N 469.401 2.746 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@](C)(CO)C1 2163050572 LARXGXXDPPDXBK-SFHVURJKSA-N 463.394 2.574 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178084508 ZDZRKPPPBNYNHX-KDDOJWQBSA-N 454.077 2.912 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2NS(=O)(=O)N2CCC(Br)CC2)CC1 2189319339 JMAFAHPGVYDMBU-HNNXBMFYSA-N 466.442 2.860 50 10 JFGE NNC(=O)[C@@H]1CC[C@@H](CSc2cc(I)ccc2Br)O1 2338340415 ZRJDBCHCXSTKPP-WPRPVWTQSA-N 457.131 2.683 50 10 JFGE CO[C@]1(CBr)CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2364229908 FSTBAJHPFVWWJM-LBPRGKRZSA-N 473.991 2.961 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596876 QZQDTQVYZIWHJI-LGUFXXKBSA-N 476.489 2.604 50 10 JFGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 216892926 YOTYILPBRZNWNQ-FLFQWRMESA-N 478.618 2.882 50 10 JFGE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2F)CC1 1858628017 VUEWZMPAYXCROB-UHFFFAOYSA-N 453.448 2.556 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2106775207 VKKLMWJQZVMXFL-HIFRSBDPSA-N 454.431 2.668 50 10 JFGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2111237324 VYRRNYMDJDIFHN-HNNXBMFYSA-N 487.416 2.657 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2cc(I)ccc2F)CC1 2169667893 KGIYWJQFYPMNHU-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE O=C(Cc1ccccc1I)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2185320701 YACPCTYDGVKUTC-FPMFFAJLSA-N 450.114 2.987 50 10 JFGE COc1cccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3OC)C2=O)c1 33921420 VVEPMBROARXQCF-QGOAFFKASA-N 471.560 2.756 50 10 JFGE CCOC(=O)COc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1OC 58894034 USRAUTFHAHEQQR-PXMCARDJSA-N 458.511 3.000 50 10 JFGE CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59159687 NETSTHMBCQETRH-NFFVHWSESA-N 481.512 2.530 50 10 JFGE COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100520374 RWOUNYHMXCTYMV-RMLRFSFXSA-N 456.502 2.535 50 10 JFGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254763183 FDWYOSQKRKVKSY-UHFFFAOYSA-N 464.511 2.687 50 10 JFGE CC(=NNC(=O)Cc1ccccn1)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 729147055 IZAFPKZRCJZXPB-JOCHJYFZSA-N 456.506 2.926 50 10 JFGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1N 1083972617 SOCPNPVDRHEGGE-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1860770392 GWAXVXQTKLNJDE-UHFFFAOYSA-N 498.586 2.760 50 10 JFGE C[C@H]1C[C@H](CBr)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2004851541 YSNOEUGJAVVXMZ-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)NCCC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106780542 ZPZWVDSIXOIYME-UHFFFAOYSA-N 454.431 2.717 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2163050047 GKRQHPKIRLVGBK-NUEKZKHPSA-N 466.442 2.716 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12571632 AFMOBACHDRSUAQ-UHFFFAOYSA-N 492.557 2.970 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1I 14024102 GDRKEMBDJJOOEU-UHFFFAOYSA-N 481.315 2.805 50 10 JFGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40623229 VPTWUAKWMQIGOG-UHFFFAOYSA-N 491.552 2.794 50 10 JFGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C(=O)OC2CCCCC2)c1C 1866097665 NQPQMCXUWKROJN-UHFFFAOYSA-N 459.329 2.655 50 10 JFGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1ccc(S(C)(=O)=O)cc1 2049399107 NQIKDXDABNQLDJ-JEYLPNPQSA-N 450.294 2.679 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1scc(Br)c1Br 2057669682 MERBMJDYKFNCHH-WDSKDSINSA-N 482.013 2.563 50 10 JFGE CC1(C)CC[C@@H](CBr)N1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2084961072 RPHBWIZZEQLSCO-DJJJIMSYSA-N 475.380 2.979 50 10 JFGE C[C@@H]1[C@@H](C)N(S(=O)(=O)N2CCC(Br)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 2106778481 DNHHWAYZNSFLIX-MGPQQGTHSA-N 454.431 2.809 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@](CCl)(C(F)(F)F)C1 2111394818 RFYXOQIDIOYZSU-KRWDZBQOSA-N 452.882 2.886 50 10 JFGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CCC1(C)C 2131939714 IESFXGQKXAIDOJ-CQSZACIVSA-N 454.431 2.858 50 10 JFGE N#CC(=CNCCc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324196916 CCZXXLZQTXMTRA-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13979227 BRIVCVGRRCJGSK-UHFFFAOYSA-N 486.775 2.755 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1 14657157 NJQPHJIYJHJMCG-UHFFFAOYSA-N 453.520 2.580 50 10 JFGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 263625987 VZSZUIHTJQPGQN-UHFFFAOYSA-N 494.573 2.513 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@@H](C)C2 730468666 FJMXXXWKCWMYNW-OWQGQXMQSA-N 470.522 2.999 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccccc2F)c(I)c1 1084493674 HXOHVCNODCAWPI-UHFFFAOYSA-N 497.308 2.792 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cnc3ccccc3n2)cc1 1638221462 JYXRWWOJSQVIOX-FQEVSTJZSA-N 453.524 2.519 50 10 JFGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860769813 IPUPLDMWIOUKKS-ZHACJKMWSA-N 460.515 2.994 50 10 JFGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCCN1CCOCC1 1865687409 QMBCGGGTPYAIEE-XMMPIXPASA-N 488.548 2.514 50 10 JFGE CN1C[C@H](NC(=O)c2ccc(I)c(Br)c2)[C@H](Br)C1 2029860904 NAGPWTDRKDFSCK-KOLCDFICSA-N 487.961 2.861 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178087407 QTOZDXGINYLAAH-XRNSZHNASA-N 454.077 2.912 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 9826203 XZZFCFMZMYOSRN-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE O=C(NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40647315 YFHBZCLFYWPFHO-UHFFFAOYSA-N 475.219 2.951 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 58890220 FHJQRHPLPYGNNV-VBHHZLGVSA-N 465.300 2.885 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Br)sc1Br 2057676424 YSZXCHVUKIWIKS-WDSKDSINSA-N 482.013 2.563 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@H](Br)C2(CCOCC2)C1 2120026376 OKKUZWADPKTVHV-VIFPVBQESA-N 457.131 2.764 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCC[C@H](CBr)C1)C2 2179811695 JOSRMKGDPATYBY-VAMGGRTRSA-N 456.450 2.792 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(F)c(F)c1B(O)O 2257389194 VXEPWIINEZJWFV-UHFFFAOYSA-N 480.276 2.902 50 10 JFGE CC(C)(CI)CN1CCOC[C@]2(COCCN2C(=O)OC(C)(C)C)C1 2326669928 REEAAYRVPCYFKO-SFHVURJKSA-N 468.376 2.786 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606585 ZAGVOLCKPCQDBJ-HZHRSRAPSA-N 465.422 2.634 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254698008 HVAQOLIGUNWAQE-UHFFFAOYSA-N 450.495 2.625 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1CBr 703972447 DEWSLQKAUUDELI-CABCVRRESA-N 457.390 2.793 50 10 JFGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1 1084098323 AGMXKGSJEJTQNT-LJQANCHMSA-N 458.518 2.709 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@@H]1CBr 1942095811 WCOBHWMMUHPLME-CABCVRRESA-N 457.390 2.793 50 10 JFGE C[C@H](CCl)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994704854 LPJNRZBTYSRGAH-MJGOQNOKSA-N 460.040 2.902 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@](C)(C2CC2)C1 2163056268 PNJVJGCINYIUSH-GOSISDBHSA-N 466.442 2.812 50 10 JFGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cnn(CCBr)c1 2179819179 JFNFNFFBEAQMRS-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE CO[C@@H]1CN(C(=O)c2cccc(I)c2)[C@H](CBr)[C@H]1OC 2233352621 FEIZALIVIMUPHU-JHJVBQTASA-N 454.102 2.541 50 10 JFGE CC(C)(C)OC(=O)NCCC1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)CC1 2294915537 HGBODHQMNGCOMD-UHFFFAOYSA-N 489.809 2.743 50 10 JFGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 2296728838 ZOVBKHBLULLFMV-UHFFFAOYSA-N 472.505 2.803 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C#N 2324421997 UYXOYBMEHJULSK-UHFFFAOYSA-N 471.926 2.691 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 12500907 YGYBHDHZWGYBNV-UHFFFAOYSA-N 493.383 2.902 50 10 JFGE Cn1cccc1/C=N\NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 245245370 HVVKACFXIYXKCX-PKNUNXKZSA-N 459.543 2.720 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)c1nn(C)cc1I 252630917 VFVPTTRDZUHEHG-UHFFFAOYSA-N 463.073 2.560 50 10 JFGE CN1C(=O)C(=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c2ccccc21 254702245 TVTOCXQWKXMMDC-UHFFFAOYSA-N 466.494 2.518 50 10 JFGE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728203882 VJZCTAJTXURABP-HNNXBMFYSA-N 475.480 2.861 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(CBr)cc1)CCO2 1260505574 IHJRDJWLMKOJOG-UHFFFAOYSA-N 461.378 2.592 50 10 JFGE CC(=O)N1C[C@@H](C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)Oc2ccccc21 1654333045 QGSZYHFLPZYHSN-INIZCTEOSA-N 458.400 2.815 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770277 BAEDUUACYVKVBO-UONOGXRCSA-N 490.607 2.552 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)[C@H]2CCCC[C@H]21 1984447923 PSJUKPBKAWNDHT-YNEHKIRRSA-N 458.362 2.724 50 10 JFGE CC(C)C[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2057122954 OSDYVAKFZHXIRG-KUHUBIRLSA-N 477.396 2.987 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1scc(Br)c1Br 2057669681 MERBMJDYKFNCHH-RITPCOANSA-N 482.013 2.563 50 10 JFGE C[P@@]1(=O)C[C@H](NC(=O)c2cc(I)ccc2O)[C@@H](Br)C1 2121339373 ZEURHJICNPKPJY-GJPGNPISSA-N 458.030 2.865 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204525913 NUAFSLUMWZZSTF-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCC(I)CC1 2213760658 JLXQZQAXKKFCLJ-UHFFFAOYSA-N 451.149 2.635 50 10 JFGE C=C1CC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2246873080 VZIHIWDPKIUJES-UHFFFAOYSA-N 455.374 2.712 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2256607174 ZSHBYYXBDCJKBN-QFIPXVFZSA-N 493.756 2.917 50 10 JFGE Cc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 2302691075 POSBYJJSNMMLSI-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE Cc1ccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(F)c1B(O)O 2307569464 GABSEICJQMNBFM-UHFFFAOYSA-N 462.286 2.681 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)ccc1Br 12570864 HZKGKQVWWHLYDM-UHFFFAOYSA-N 491.161 2.828 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccccc1 13979210 RZNAAXJXEQVAHB-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011402 ZAQAMJMHJOFWQI-UHFFFAOYSA-N 471.579 2.777 50 10 JFGE COc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Cl)C(=O)N2CC(C)C 33959394 ACKMTARJRPYNKZ-SZXQPVLSSA-N 456.930 2.992 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658067 BIQJWINJZPRRQA-UHFFFAOYSA-N 482.432 2.516 50 10 JFGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccnc3)n2N)cc1 58988655 ODSXNTZVGVPFKP-MFKUBSTISA-N 452.588 2.923 50 10 JFGE N#Cc1ccc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(F)c1 729880115 ZSKBBMJCNXMZTJ-UHFFFAOYSA-N 470.464 2.600 50 10 JFGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccc(F)cc4)c(=O)c23)C1 1865851392 ANPWNZIBNSSKDT-ZDUSSCGKSA-N 470.526 2.532 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCC[C@@H](Br)C1 1942094754 IWSNZZUMELHMGL-LSDHHAIUSA-N 457.390 2.936 50 10 JFGE CN([C@H](CCCl)C(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122007486 YXTQBHNEGPCEIC-CZUORRHYSA-N 458.861 2.832 50 10 JFGE O=C(NCC1(CBr)CCS(=O)(=O)CC1)c1csc(I)c1 2199811678 IRCVOGKCHNFLSX-UHFFFAOYSA-N 492.198 2.672 50 10 JFGE CC(C)(C)OC(=O)N(CCNC(=O)c1ccc2cc(B(O)O)ccc2c1)OCc1ccccc1 2282255867 WRTLLAFRSMNIGA-UHFFFAOYSA-N 464.327 2.618 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCC[C@](CBr)(C2)C1 2311428548 QKYUPDMYMLQDPB-MGPUTAFESA-N 469.401 2.890 50 10 JFGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 12502387 LVIIUDAUUGVSEY-UHFFFAOYSA-N 455.323 2.666 50 10 JFGE COc1ccc(/C(C)=N/NC(=O)CCC(=O)N/N=C(\C)c2ccc(OC)cc2OC)c(OC)c1 12575158 ZQTFIYLIJIZVAN-RYQLWAFASA-N 470.526 2.882 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 14021571 CUJKIKTTYSISAJ-UHFFFAOYSA-N 479.327 2.930 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2F)c(Br)c1 14037638 DJXJLOYROQMBIR-UHFFFAOYSA-N 454.321 2.865 50 10 JFGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)COc2c(C)cc(C)cc2C)c2ccccc21 59148452 WGCVLZBGBFSEBY-SLEBQGDGSA-N 450.539 2.726 50 10 JFGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254515779 MWVLJGWDJCOGQR-IAGOWNOFSA-N 464.522 2.955 50 10 JFGE CCC(=NNC(=O)COc1ccccc1OC)C(CC)=NNC(=O)COc1ccccc1OC 254700926 IOXBYPWERGIVFE-UHFFFAOYSA-N 470.526 2.926 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCCC1 703992110 YOIJDCBPESRIAM-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 1858081789 HWUGIVGSZWNFID-UHFFFAOYSA-N 458.437 2.596 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852408 VJGJMBGJYYRFHX-LSDHHAIUSA-N 468.579 2.933 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1CCC[C@H]1Br 1913738608 TWKCXRKTADUBSP-WMLDXEAASA-N 457.390 2.936 50 10 JFGE C=CC[C@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2082205487 WZMCZRNJJJUBIG-RTBURBONSA-N 475.380 2.908 50 10 JFGE C[C@H](c1cscc1B(O)O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248891842 GKYJWXZPGBDZOL-MRXNPFEDSA-N 478.379 2.876 50 10 JFGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2257376744 JEBYUYGVSLOVBT-SFHVURJKSA-N 472.350 2.863 50 10 JFGE Cc1cc(CNC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2273748557 AEXXMYSKFISXGM-AREMUKBSSA-N 486.377 2.854 50 10 JFGE COC(=O)[C@@H](CBr)NC(=O)c1ccc(Br)cc1I 2320389781 DNFSSISUXQLOBR-SECBINFHSA-N 490.917 2.720 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630322 ABKQNTIOWGMVFA-DOJUMQAQSA-N 462.531 2.517 50 10 JFGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14643230 IJSDLRFWSXGWJJ-CYBMUJFWSA-N 466.288 2.968 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 33905159 FALIPNKTKJLFOC-VDJSXZGESA-N 457.534 2.574 50 10 JFGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1OC 38177767 QRADPJQEDURXEY-ZHZULCJRSA-N 470.485 2.947 50 10 JFGE O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254617343 MYUPPARVIVGUFD-UHFFFAOYSA-N 469.439 2.512 50 10 JFGE COC(=O)COc1ccc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1083937791 MSURMTAPVFLWOA-QGZVFWFLSA-N 496.301 2.807 50 10 JFGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1C 1629258076 FTHWDIBHCURUEU-UHFFFAOYSA-N 454.490 2.974 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 1872961901 NKJKVFOKCTZFPM-CVEARBPZSA-N 486.370 2.579 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCS[C@@H](CCBr)C1 1942097812 JRQBPUZGEYEDAL-AWEZNQCLSA-N 475.430 2.595 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C1CC1 1942791252 CEOZOUSHAUDRII-LJQANCHMSA-N 457.390 2.792 50 10 JFGE CC(C)N(C[C@@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534952 XRPORPHLPUIXRH-ACJLOTCBSA-N 463.369 2.834 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2060624974 DZVSZSHTTUWGKQ-QMHKHESXSA-N 473.338 2.653 50 10 JFGE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106304469 FTBYQFPJJPLODS-ZFWWWQNUSA-N 454.431 2.764 50 10 JFGE CC1(C)C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106772399 NGHHVBSIKSUBNY-CQSZACIVSA-N 454.431 2.716 50 10 JFGE Cn1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(CCl)n1 2140596142 UZRPJHHSYPGLIR-GOSISDBHSA-N 498.049 2.559 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 2188882239 DNZFCYMFDZGUOL-VAMGGRTRSA-N 456.450 2.935 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CCOC2(CCC(Br)CC2)C1 2190041241 XDBKQWVRXJKYEV-UHFFFAOYSA-N 459.406 2.541 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268654438 ZGZDUVLDSODPED-MGPUTAFESA-N 476.766 2.765 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sc(B(O)O)cc1C 2301723426 SKEHEQNFVPJBGK-NRFANRHFSA-N 478.379 2.670 50 10 JFGE CC(C)[C@@H](CBr)N(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2302552026 UEJWCIFQOPPQJJ-MRXNPFEDSA-N 459.406 2.990 50 10 JFGE COc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)cc1I 12573851 HRPJHLICLORBMG-KEBDBYFISA-N 468.247 2.998 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 13976605 GISCWSAVXRGRAC-AWNIVKPZSA-N 470.551 2.548 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)nc12 33469272 RKGUIQYYNGPQQR-HCBRLPMBSA-N 457.534 2.840 50 10 JFGE O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccn1 40659078 KOWBPKGNVGOBQC-UHFFFAOYSA-N 484.476 2.812 50 10 JFGE COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OC 104765991 VBZABUKOBQICIN-GFCCVEGCSA-N 468.293 2.586 50 10 JFGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)cc2)C=3C#N)cc1 254310397 RZWULVIRJKSPHX-QHCPKHFHSA-N 470.554 2.659 50 10 JFGE Cc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c(C)c1 728205986 OKTVBNYTDCKRCZ-UHFFFAOYSA-N 451.571 2.827 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC2CCN(C(C)(C)C)CC2)cc1 920853669 DNAFGYKKBSUGBA-CYVLTUHYSA-N 478.597 2.720 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(O)c(OC)c2)Cc2ccccc2)cc1 1084080902 RSQIXZDPYFZTLU-UHFFFAOYSA-N 483.546 2.751 50 10 JFGE C#Cc1ccc(CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)cc1 1624429478 VIBRBMGTKSFCPV-KGENOOAVSA-N 453.502 2.639 50 10 JFGE C#CCN(CC)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1626575050 KGIZNRGKMQKJKI-VBKFSLOCSA-N 454.328 2.577 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1633773750 SNMUIOIPFRZLFB-HNNXBMFYSA-N 454.556 2.747 50 10 JFGE C[C@H](C(=O)NNC(=O)COc1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771740 GKXUQOIUOWTZFS-GFCCVEGCSA-N 460.943 2.778 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](CBr)C1 1942374983 LSVRXDKZDJTPOZ-KBPBESRZSA-N 457.390 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)CI)CC12CCC2 1983415022 VISDJSNJHRUXOR-GFCCVEGCSA-N 458.362 2.868 50 10 JFGE C[C@H](Br)C[C@@H](C)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531330 AKNYFNVDXUBCJV-FHSNZYRGSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](Br)[C@H]1C1CC1 2013979963 PFTXHHJBVNLHGY-IAGOWNOFSA-N 455.374 2.640 50 10 JFGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2106295863 MDQPGKSJTZSSJM-SFHVURJKSA-N 483.384 2.897 50 10 JFGE CC(C)(C)OC(=O)NCc1ccccc1CNS(=O)(=O)N1CCC(Br)CC1 2162588842 KMYRFJDIMOVWAK-UHFFFAOYSA-N 462.410 2.905 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCCN(Cc2ccccc2)CC1 2179860372 QRCRWKFDSWLAKE-UHFFFAOYSA-N 455.422 2.791 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188887430 RZHLAGRYOVPYGN-HKUYNNGSSA-N 453.406 2.563 50 10 JFGE Cc1nn(C)c(C(=O)NCC(F)(F)C(F)(F)CI)c1Br 2361687701 UCMKTGNLDTVINE-UHFFFAOYSA-N 472.018 2.926 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCl)O1 2364194307 DWSDGCMULPOEJM-MRXNPFEDSA-N 456.992 2.891 50 10 JFGE COC[C@@]1(CBr)C=CCN1C(=O)c1c(Br)c(Br)nn1C 2379838556 UBPGXHFIWPCRCB-LBPRGKRZSA-N 471.975 2.737 50 10 JFGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 13978634 FMFGBECQRHVXSQ-ZHACJKMWSA-N 465.316 2.949 50 10 JFGE CCCCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 13985857 WGBYXZYFFWWFDO-UHFFFAOYSA-N 467.183 2.803 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999372 JLIWXJJASXOXGX-UHFFFAOYSA-N 471.579 2.606 50 10 JFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)cc1Br 14647739 XNTMRMWMJBKCLE-UHFFFAOYSA-N 496.383 2.961 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 59384196 MATDQNKQDSZQCZ-AZHVYHFMSA-N 455.496 2.555 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 102701301 YCTRAXLWRQMRNO-ZNAMJXTGSA-N 495.630 2.551 50 10 JFGE CC1(C)CCC[C@]1(CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1945377569 RJWGGBARWNAUCW-LJQANCHMSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](CNS(=O)(=O)CI)(C(C)(C)C)C1 1983333550 IUUIRKRLBISXRH-OAHLLOKOSA-N 460.378 2.972 50 10 JFGE C[C@@H]1CC[C@@](CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074209116 SLHINMGRMBVETO-UPRAQXHNSA-N 475.380 2.884 50 10 JFGE CN(C1CCC(NC(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2106782217 OWNACJYBKUJGRL-UHFFFAOYSA-N 454.431 2.858 50 10 JFGE CCOCCOCCOCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 2223305740 ZVARZQWTNWJFFM-KRWDZBQOSA-N 475.364 2.791 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]1CC2 2229839060 VRWAMPDOFOWQBG-RRFJBIMHSA-N 452.415 2.611 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2248369864 CTRBPBBBTNXATO-NJSLBKSFSA-N 455.374 2.546 50 10 JFGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2256642168 UJCVGYLJJUWUTR-DEOSSOPVSA-N 492.406 2.916 50 10 JFGE C[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1 2297380837 HRNNLTHQXVLSPB-AWEZNQCLSA-N 453.973 2.558 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313624838 KRCFYNWDEJLAEK-UHFFFAOYSA-N 464.341 2.572 50 10 JFGE COc1ccc(C(=O)NNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1I 2313862620 YBPNEMVYCUFFKO-UHFFFAOYSA-N 467.219 2.682 50 10 JFGE OB(O)c1cc(Sc2cc(I)ccc2Br)ncc1Cl 2338400121 WXDHZSUDCVKTMK-UHFFFAOYSA-N 470.322 2.933 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1Br 2338863980 QWCIBFXDPAHDLX-CWUITWQGSA-N 477.919 2.814 50 10 JFGE Cn1ncc(I)c1NS(=O)(=O)c1ccc(CBr)cc1 2353691692 FOMKAGHQNGDXSR-UHFFFAOYSA-N 456.103 2.720 50 10 JFGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC 9696146 MJJQQYVGOJQPQT-UHFFFAOYSA-N 464.341 2.972 50 10 JFGE COc1ccc(/C=C2/SC(=O)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 33482826 GHXAGYUBJJHEAX-CPNJWEJPSA-N 485.518 2.687 50 10 JFGE COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100315562 KTPSTYBCAKFCRM-JMGWQFGPSA-N 482.540 2.934 50 10 JFGE C/C(=C/C#N)N1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)cc2C1=O 207426322 CXAXMWVIGJHKCQ-QHIITQONSA-N 484.468 2.737 50 10 JFGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1 217254321 VDEPRMWLWXLOQV-SQFISAMPSA-N 490.301 2.997 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CCBr)C1 719992092 TVPBYKNBRPJJAX-AWEZNQCLSA-N 489.457 2.841 50 10 JFGE CC(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)[C@H](Br)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 1776010022 WJKPYUPOEZEIAU-WOWNOXRQSA-N 490.394 2.755 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCC2(CCC2)[C@@H]1Br 1924801380 MLMXRXJYEKNJBG-RHSMWYFYSA-N 469.401 2.936 50 10 JFGE C[C@H]1[C@@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 1983326753 DPOGYJNPCYHEDD-IUCAKERBSA-N 472.267 2.581 50 10 JFGE CC[C@@H](Br)CN(CC)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532017 GQTXQTLLDWYHKO-ACJLOTCBSA-N 463.369 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 2046027117 AINHFJRDJUCPFT-CRAIPNDOSA-N 473.364 2.590 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCC1(C)C 2106296768 BTXPHHHUHWDODN-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 2108235698 ZVESVFZAKGCGTH-RHSMWYFYSA-N 497.333 2.835 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2139859306 VBKFSPGBIUOECT-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE Cc1cccc([C@H](Br)CS(=O)(=O)N2CCOCC2)c1I 2145642595 MVUGGNCHJAKNQZ-GFCCVEGCSA-N 474.158 2.698 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2162601224 LCVXNOOGEUVYEZ-LZWOXQAQSA-N 466.442 2.716 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CCCC[C@@H]21 2179458539 NGFSVODQNUIQOS-PMPSAXMXSA-N 466.442 2.858 50 10 JFGE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)c2ccc(CBr)cc2)C1 2181159283 QXVQHQPMLCSZGH-HNNXBMFYSA-N 463.394 2.886 50 10 JFGE COc1ccccc1C=C1SC(=S)N(CCC(=O)NNC(=O)c2ccccc2OC)C1=O 2297259414 KRFAZVNTYMMDOG-UHFFFAOYSA-N 471.560 2.756 50 10 JFGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)Cc1ccccc1 2314397574 YZLMRCOJOLNSBT-UHFFFAOYSA-N 481.530 2.891 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC2(CC[C@H](CBr)O2)C1 2361880236 VOMNBBHWPPQCGA-SNVBAGLBSA-N 452.086 2.765 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@]1(CBr)CCCOC1 2364006424 GAZAPCAYIYYKLN-GFCCVEGCSA-N 473.991 2.867 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736906 BOGKLDPSFLXLGF-UHFFFAOYSA-N 456.568 2.603 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C\c2ccccc2OC)cc1 34829011 BILFDSRLQNBUBJ-JYRVWZFOSA-N 470.551 2.548 50 10 JFGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccncc1 58990429 ITXFUSZFOGVGMS-VULFUBBASA-N 459.535 2.875 50 10 JFGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(OCC(N)=O)cc1 254013384 RGZZPCCSBPLEID-UHFFFAOYSA-N 472.548 2.567 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1C 728829298 GKQIQQKGOSDGAB-UHFFFAOYSA-N 488.791 2.801 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccc(O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084335154 NXQZANDRHPEPAO-UHFFFAOYSA-N 499.545 2.764 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1449363598 SWZIAIWVDGQUOI-UYAOXDASSA-N 456.543 2.745 50 10 JFGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)Cc4ccccc4)c(C)c32)cc1 1772749664 XCXMHSNVIZSJGJ-UHFFFAOYSA-N 494.573 2.919 50 10 JFGE Cc1ccc(SCCCC(=O)NNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1865755877 VGLOXVUZBRLBKQ-UHFFFAOYSA-N 484.534 2.999 50 10 JFGE C[C@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1998354421 AUCGTPHBIBUOJZ-OAHLLOKOSA-N 471.295 2.698 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCBr 2000545522 SGRVXHPOCGJTCO-SCLBCKFNSA-N 461.353 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2029212621 LGAOQGXAYVUOKO-WBAXXEDZSA-N 469.401 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@@H]1C1CC1 2067011395 HEOPNMLGMZKQMC-IRXDYDNUSA-N 469.401 2.886 50 10 JFGE O=S(=O)(c1cc(Cl)c(Br)s1)N1C[C@H](Br)[C@H]2COC[C@H]21 2102180220 HQXUUIBGQBRQJU-GKROBHDKSA-N 451.589 2.947 50 10 JFGE CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106299164 VNCMEYDMMBFKJD-OAHLLOKOSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N(CCCOc1ccc(B(O)O)c(C(F)(F)F)n1)Cc1ccccc1 2223653127 OORJNGBMCYFMFX-UHFFFAOYSA-N 454.254 2.986 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2314755795 HTVOCIXJRDIHEM-RISCZKNCSA-N 483.306 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 2316826962 MFHRLLGIQSEGRF-YWZLYKJASA-N 469.401 2.890 50 10 JFGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)c1cccn(Cc2cccc(C)c2)c1=O 2323620286 SWTBAYOIBIMABC-UHFFFAOYSA-N 450.451 2.894 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1I 12502979 CLDYMOLOMBTCSQ-UHFFFAOYSA-N 461.325 2.516 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 33332628 NTXAGXRCOAZAOQ-LDADJPATSA-N 481.461 2.662 50 10 JFGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)c1ccccc1 254736171 HQKVZDDPMMTBCQ-LJQANCHMSA-N 458.518 2.709 50 10 JFGE COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)C(=NNC(=O)c2ccc(O)cc2)c2ccccc21 263632636 YQJZHHRXGHBNNE-DEOSSOPVSA-N 473.441 2.759 50 10 JFGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 726273415 DCGJRDDPESCAID-UHFFFAOYSA-N 451.571 2.797 50 10 JFGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2cccnc2)c1 728851312 XXDAZILLEUHSIR-UHFFFAOYSA-N 472.954 2.559 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)[C@H](C)Oc3ccc(OCC)cc3)n[nH]2)c1C 1540361224 SQRZSXKJJQYFLE-INIZCTEOSA-N 452.515 2.703 50 10 JFGE C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866609602 YLNPUUHRCSUQBY-HNNXBMFYSA-N 479.562 2.564 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)C1 1872960056 ARXOVOSHXIRIGW-GJZGRUSLSA-N 459.909 2.609 50 10 JFGE COc1cc2c(/C=N/NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)O)n(C)c2cc1OC 1873499177 IGNNBGMREJIASS-KWRYHKOTSA-N 488.541 2.991 50 10 JFGE C[C@@H]1[C@@H](C(F)(F)F)N(S(=O)(=O)CI)CCN1C(=O)OC(C)(C)C 1983326751 DPOGYJNPCYHEDD-BDAKNGLRSA-N 472.267 2.581 50 10 JFGE CC(C)(C)OC(=O)N(CC1CC1)C1CCN(S(=O)(=O)CI)CC1 1983327332 LKWGPNOWPDIQIH-UHFFFAOYSA-N 458.362 2.820 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCN2CCOCC2)CC1 2055690411 SZFPDSQNRYXESU-UHFFFAOYSA-N 468.376 2.930 50 10 JFGE O=C1CN(C(=O)c2ccc(Br)cc2Br)CCN1CCBr 2171078782 DVDSNTMVUAMSRL-UHFFFAOYSA-N 468.971 2.891 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2182068847 JLESKLZVUAEPIA-GOSISDBHSA-N 466.442 2.956 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCCC[C@@H]21 2217359147 XDIHBIPYASAYOQ-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]1CC2 2229839061 VRWAMPDOFOWQBG-SOUVJXGZSA-N 452.415 2.611 50 10 JFGE O=C(NOCCCNC(=O)c1ccc(B(O)O)c(Cl)c1)OCC1c2ccccc2-c2ccccc21 2255498187 OMNNYYYBSVUOIR-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310104976 KTUXRKJDARMDKC-KEYYUXOJSA-N 469.401 2.886 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748165 SEEBYPXZMFPTHS-UHFFFAOYSA-N 496.545 2.690 50 10 JFGE Cc1nnc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867032687 JREHJPYIBRNFBX-RBUKOAKNSA-N 451.508 2.589 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@@H]1C[C@@H]1Br 1877395002 VQWHTALJFBTLPW-JYJNAYRXSA-N 455.349 2.913 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC[C@H]1CCBr 2004850558 SAOSAVGRPPERTM-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1 2018338512 DHOFBBXTHAZNPV-UHFFFAOYSA-N 479.665 2.675 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1CC2(C1)OCCC[C@@H]2Br 2159660524 LSHBDZAHMZBOKP-LBPRGKRZSA-N 452.086 2.765 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1cc(I)ccc1F 2178912112 UBBCJYWBKJKDEY-GXSJLCMTSA-N 455.109 2.970 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188889514 YQMHZBHONMLNJR-PMACEKPBSA-N 456.450 2.935 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2310666118 ADCSHOIAHLTNHT-JOTOCRJQSA-N 469.401 2.792 50 10 JFGE CC1(C)CC(CBr)(CN2CCS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2371152371 KYCRPENMVOPKBH-UHFFFAOYSA-N 465.454 2.908 50 10 JFGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623550 YEWMZLIODJQPJE-FQEVSTJZSA-N 482.606 2.796 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3Cl)nc12 33904717 ULMBAZYUTAKFRY-UVQBRAAOSA-N 498.948 2.659 50 10 JFGE COc1cc(/C=N/NC(=O)CN2CCOCC2)c(Br)cc1OCc1cccc(F)c1 59246836 GDJZHZRPNPJUSY-WYMPLXKRSA-N 480.334 2.958 50 10 JFGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c(OC)c1 254407445 DHDMCPOLNMDFOQ-UHFFFAOYSA-N 494.537 2.614 50 10 JFGE COc1ccc(Br)c(C(=O)NNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 728529916 TZNOYBGTKLSAHK-QGZVFWFLSA-N 462.300 2.650 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3ccc(Cl)nn3)cc2)cc1 1160836701 KFTNXDUBYKEWDV-UHFFFAOYSA-N 459.915 2.568 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744463 DRZUJIKMZITTHM-UHFFFAOYSA-N 464.482 2.983 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2046023320 RGOUGIJSEVBXSM-VVFCZOMOSA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)CC(F)(F)F 2055500171 UBWYNFZLAHAXDS-LLVKDONJSA-N 485.322 2.944 50 10 JFGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2062183807 QFIXFRLDIQARKL-FRQCXROJSA-N 475.380 2.834 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2234534054 IAFBJSSBZXJFRA-OFQRWUPVSA-N 466.442 2.716 50 10 JFGE CN(Cc1ccc(I)cc1)S(=O)(=O)c1n[nH]cc1CBr 2280256494 DDIUVLIKUVSTGS-UHFFFAOYSA-N 470.130 2.730 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](OCCCl)C1 2364213005 CPNPREIMDKYSTR-KRWDZBQOSA-N 456.992 2.893 50 10 JFGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629968 OHDCEYCOONDIMK-ZDUSSCGKSA-N 464.316 2.639 50 10 JFGE CN([C@H]1COC[C@@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709431800 QSLXDQMYUPKJGE-UWVGGRQHSA-N 478.000 2.994 50 10 JFGE CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 728064453 IHSOUMVFUXHCTB-UHFFFAOYSA-N 477.558 2.664 50 10 JFGE C=CCCONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1557717760 UJNOUGDDQMTERF-XNTDXEJSSA-N 458.316 2.719 50 10 JFGE Cc1ccc(S(=O)(=O)NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858688505 RKGKJYKRDFJESJ-UHFFFAOYSA-N 486.462 2.793 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)CI)CC12CCC2 1983415023 VISDJSNJHRUXOR-LBPRGKRZSA-N 458.362 2.868 50 10 JFGE O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@H]1CCCO1 2040444207 GBCNIANWKMPPRB-MRXNPFEDSA-N 495.026 2.828 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053981576 JOIJYNAKQYSFEJ-RVKKMQEKSA-N 469.401 2.746 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106772052 CLHNTOFEBOBMDL-CQSZACIVSA-N 454.431 2.716 50 10 JFGE CO[C@@H]1[C@H](OC)CN(C(=O)c2csc(I)c2)[C@H]1CBr 2225078938 ADZGLZDVVHFRNE-NGZCFLSTSA-N 460.131 2.602 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@H]2COC[C@@]2(CBr)C1 2234579177 IPVCFJUTXOGHOU-LKFCYVNXSA-N 454.077 2.914 50 10 JFGE O=C(NCCNC(=O)c1ccc(B(O)O)c(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 2267326536 HFKULSLUYFXAJV-UHFFFAOYSA-N 498.266 2.654 50 10 JFGE CC(C)(C)OC(=O)N[C@]12CCC(F)(F)C[C@H]1CN(S(=O)(=O)CI)C2 2303898500 QSFBWNTYHDAQSF-GWCFXTLKSA-N 480.315 2.723 50 10 JFGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1NS(=O)(=O)c1cccs1 3250791 NYNXXJDLHXLFOM-UHFFFAOYSA-N 474.476 2.950 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)c1 10276314 TYOIEQAUSFEBCN-UHFFFAOYSA-N 465.959 2.778 50 10 JFGE O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21769914 PDWXANSUMOHUTM-UHFFFAOYSA-N 468.473 2.694 50 10 JFGE CN(CC(=O)NNC(=O)/C=C\c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 97990391 KGXMEMWMHZKZOM-YHYXMXQVSA-N 486.775 2.584 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cn3nnc(-c4ccccc4)n3)cc2OC)cc1 915907221 FSJKZLRVOZGBKC-UHFFFAOYSA-N 486.488 2.727 50 10 JFGE COc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 1084171343 BRSOFMHEOVLRQQ-UHFFFAOYSA-N 481.336 2.994 50 10 JFGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 1084403613 QMBGHALMXOHIJK-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE CC(=O)N(C)CC(=O)NNc1c(Br)cc(Br)cc1Br 1147838171 QNQPAJGNJRCAEZ-UHFFFAOYSA-N 457.948 2.896 50 10 JFGE C=CCNC(=S)NNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OCC)cc1 1463674268 IWHKOWWQYKCNEK-UHFFFAOYSA-N 458.569 2.699 50 10 JFGE CCCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1772760271 PVHKLTJTXQREEI-CQSZACIVSA-N 469.567 2.926 50 10 JFGE Cc1c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cccc1[N+](=O)[O-] 1860771718 FTYFRBJXLKSDPD-GFCCVEGCSA-N 455.496 2.576 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2046019042 LWCIFPBPGNVOOA-SCLBCKFNSA-N 473.364 2.590 50 10 JFGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 2090337085 OGOZHFSPICZNDF-UWVGGRQHSA-N 477.016 2.567 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248396706 CUDNTHYUXWFIDO-MRXNPFEDSA-N 478.379 2.622 50 10 JFGE COc1ccc(C=NNC(=O)CNC(=O)c2ccc(Cl)cc2)cc1I 2297321783 PZPVTCOIZCTHJA-UHFFFAOYSA-N 471.682 2.833 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cnn(CCOC)c1 59913944 YYQOWWNGCSBRGW-ZRWQFTNJSA-N 468.587 2.550 50 10 JFGE O=C(NN=Cc1ccc(O)c([N+](=O)[O-])c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254835124 VPDFSCBAMWQPGU-SZNSTCJBSA-N 474.429 2.950 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 725404992 CFVZEXRSZPORLK-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC)c2O)Cc2ccccc2)cc1 1084175691 BITXUWWUBNAVAD-UHFFFAOYSA-N 483.546 2.751 50 10 JFGE CSCc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769978 OBIVRAJZABPIOG-CYBMUJFWSA-N 456.593 2.907 50 10 JFGE CSCC[C@H](NC(=O)CCc1nn2c(C)nnc2s1)C(=O)Nc1ccc(SC#N)cc1 1867043377 HHIAZHINEOMJKI-HNNXBMFYSA-N 475.625 2.877 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)CI)[C@H]1C(F)(F)F 1903070199 SQFVDIGYRYYFBN-IUCAKERBSA-N 472.267 2.629 50 10 JFGE CC(C)(C)OC(=O)NCC1(F)CCC(CNS(=O)(=O)CI)CC1 1984184436 OWDROTXRDQOYPL-UHFFFAOYSA-N 464.341 2.722 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CCC(Br)CC1 2046030368 XSLGANSZPQZOJP-SVGDTCPJSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(CBr)C[C@H]1C(F)(F)F 2072465040 XQTZIVNBIXUPIK-CZUORRHYSA-N 483.306 2.556 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2142047377 ZMGSZOVGVPMPTD-MRXNPFEDSA-N 487.416 2.659 50 10 JFGE O=S(=O)(c1cc(CBr)co1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179829303 ZOWSDVRJSHJIQH-ROUUACIJSA-N 455.374 2.839 50 10 JFGE CN(Cc1nc(NS(=O)(=O)c2ccc(CBr)cc2)n[nH]1)C(=O)OC(C)(C)C 2185310359 RKDFHVIQOLIOJR-UHFFFAOYSA-N 460.354 2.867 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CC1(CBr)CC(F)C1)C2 2280359419 MJDUEXNOYMQQOW-XUJQIHCRSA-N 451.377 2.838 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2301664059 GVOIABDPFRHFMH-NYHFZMIOSA-N 478.379 2.922 50 10 JFGE COc1cccc(C=CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 2325885212 YKCYPHILAABCIW-AWEZNQCLSA-N 452.536 2.767 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H](CBr)C12CCC2 2351616199 WUJJVVXJAYQTPG-CRFBAAHOSA-N 487.391 2.884 50 10 JFGE NNC(=O)c1ncc(COCc2cc(I)ccc2Br)s1 2367269452 UWJIFRZYILLOSC-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE CC(C)(CCl)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 10070063 ZYTGEBNOVZYKLO-UHFFFAOYSA-N 455.930 2.538 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 13982270 FFYJXLWJWGLOJX-UHFFFAOYSA-N 463.475 2.796 50 10 JFGE O=C(COc1ccccc1)NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-] 40647352 CEVBPJZMBVNYAG-UHFFFAOYSA-N 460.248 2.808 50 10 JFGE COc1cc(C=NNC(N)=O)ccc1OC[C@H](O)CON=C1c2ccccc2-c2ccccc21 254513510 FJYQHIOUCOKROO-KRWDZBQOSA-N 460.490 2.887 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)NNC(=O)c1ccccc1 1084343800 HKBNXLNGTIMXRL-UHFFFAOYSA-N 480.337 2.816 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)NNC(=O)c1ccc(F)cc1 1084581115 KQHZWMHSEFDFQN-UHFFFAOYSA-N 492.334 2.706 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCc3ccccc3)cc2)cc1 1084630236 WWSHXEGPNYBYBI-UHFFFAOYSA-N 474.517 2.869 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747492 POEFXNFHFFHSMY-UHFFFAOYSA-N 489.488 2.970 50 10 JFGE C[C@@H](Br)[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2019069153 XGLZYHULAPEDNU-MFKMUULPSA-N 471.295 2.697 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)c1ccccc1 2162588206 CPXSAYWLESDWAD-INIZCTEOSA-N 462.410 2.946 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2317611698 CXRHKSADHUTYIH-IVZQSRNASA-N 493.394 2.660 50 10 JFGE COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC)cc1I 10040655 FAUPJQXSEIXFNM-CSKARUKUSA-N 452.248 2.783 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 919992713 PLKMFUCTSGWWBZ-UHFFFAOYSA-N 459.524 2.689 50 10 JFGE C=CCc1cc(C=NNC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084651774 IHZMMMZCWPVJOY-UHFFFAOYSA-N 468.510 2.693 50 10 JFGE O=C(NCc1ccc(CN2CCC(O)CC2)cc1)NNC(=O)c1ccc(Br)cc1 1318294502 CNCHUZMSBZGSOQ-UHFFFAOYSA-N 461.360 2.550 50 10 JFGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1C(F)(F)F 1538531749 RKDSXOOXWGYIAI-QBFSEMIESA-N 455.458 2.820 50 10 JFGE CC(=O)C1CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1634026016 YALMKXTYQAOHTJ-LDADJPATSA-N 453.930 2.813 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1860770241 ZBVGNZNTWFSZSX-UHFFFAOYSA-N 462.531 2.968 50 10 JFGE COc1ccc(S(=O)(=O)CCC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866804464 ODGUNSXTQZVJBO-UHFFFAOYSA-N 491.591 2.974 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1 2009713540 BOHUASWYRNTGBP-XMMPIXPASA-N 458.323 2.868 50 10 JFGE C[C@H](Br)[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046022626 LMHMPPYYDRCGGA-IQUTYRLHSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CCl)C(F)(F)C1 2108234571 PSYBEDYBQJQRBQ-YVEFUNNKSA-N 452.882 2.537 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CBr)OC2(CCC2)C1 2165768416 ZRPZVSGXUZOBGZ-MRXNPFEDSA-N 499.427 2.801 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2179870453 LZPPMYOJSSCLSW-FUHWJXTLSA-N 453.406 2.980 50 10 JFGE O=C(N[C@@H](CBr)C[C@@H]1CCOC1)c1ccc(I)c(O)c1 2195479627 RPVFCZFHULVXTE-GXSJLCMTSA-N 454.102 2.917 50 10 JFGE Cc1sc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 2255555593 CZGLGGXVTTZHKE-UHFFFAOYSA-N 494.378 2.635 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1COC2(CCN(CCOCCI)CC2)C1 2306798239 CWXDXEYXURQDNU-AWEZNQCLSA-N 454.349 2.586 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1CC[C@@H](CCl)CO1 2364204580 FCSHFYNXEQTIKB-IRXDYDNUSA-N 456.992 2.796 50 10 JFGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016360 LCMNZSKZUOZYKL-UHFFFAOYSA-N 471.579 2.742 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3COc4ccccc4C3)c2)cc1 17396748 GBOJUJOSFCSLRP-GOSISDBHSA-N 481.530 2.508 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ncc(O)nc3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 504169302 QDDZYKQFTBFTMS-WNHJNPCNSA-N 487.702 2.559 50 10 JFGE biogenic C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1617995443 KHYNVRJQPDZXND-BENRWUELSA-N 456.446 2.743 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C2(CC2)C1 1944716694 IWLABTKUCHZBHT-MRXNPFEDSA-N 455.374 2.642 50 10 JFGE CC1(C)C[C@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533021 ODUCKUNNQXAIFI-KPZWWZAWSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCC1(CBr)CC2(CCC2)C1 2011591711 OGHVQOREFGLNPO-UHFFFAOYSA-N 455.374 2.547 50 10 JFGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2S(=O)(=O)N1CCC(Br)CC1 2106775277 VZLGBHNBSHQNPJ-UHFFFAOYSA-N 486.432 2.968 50 10 JFGE CCCN(C[C@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2250562668 KPOOEPSRJPCOJT-SCLBCKFNSA-N 463.369 2.836 50 10 JFGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)c1ccccc1I 2313624840 KSQIJBREINUDLY-UHFFFAOYSA-N 481.315 2.649 50 10 JFGE C=CC[C@H](Br)[C@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314233803 NPJIRZUAJQHQNQ-FRQCXROJSA-N 473.364 2.755 50 10 JFGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13982099 POVHHFFBETVPOF-UHFFFAOYSA-N 495.473 2.885 50 10 JFGE COc1cc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(O)c(OC)c3)c(C)nc2C)ccc1O 48524187 CPMAPHOCEOLSCT-KTDSDSLMSA-N 491.504 2.655 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 59061012 ASBNDAZUOITONM-UHFFFAOYSA-N 499.376 2.822 50 10 JFGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c(c1)OCO2 1084636202 NKAYNZIWNZRHPY-UHFFFAOYSA-N 465.531 2.799 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c1 1154050713 VTAUFZOQRFVXGS-MRXNPFEDSA-N 456.955 2.566 50 10 JFGE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960583 FHKXQKJMUUKPHO-IRXDYDNUSA-N 455.946 2.778 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C[C@@H]1C(F)(F)F 1904642599 MNHAHBOMEDFSMG-QWRGUYRKSA-N 452.255 2.825 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CC(CBr)C1 2002984359 JSMBFQZFOLJVGH-UHFFFAOYSA-N 457.390 2.649 50 10 JFGE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163053174 LANQJMDIVSWRGT-SFHVURJKSA-N 463.394 2.622 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2218485954 IGYFCKUTGLHCJO-VKJFTORMSA-N 469.401 2.888 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2284014668 CRORPXOYTOMKNT-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cccs1 2313683258 VUAOIUSIAPJAAF-UHFFFAOYSA-N 455.521 2.832 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2317670477 DOCUXVKJRGAHSP-VWLOTQADSA-N 470.334 2.526 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)cc1 13976185 QHJAJQCKQVDLKH-UHFFFAOYSA-N 472.567 2.522 50 10 JFGE O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 33477493 SNDHFNKIJHKTIS-SEYXRHQNSA-N 465.487 2.903 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 40658490 VQOQLYOJMAOUGQ-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE COc1ccc(/C(C)=N\NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(OC)c1 58991334 GNDIUVMHXRABHU-OYKKKHCWSA-N 470.555 2.794 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(OC)c(F)c2)cc1 920852869 ATQPXLGHKRZFCI-LDADJPATSA-N 477.496 2.805 50 10 JFGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 1083913609 WEKCWZUOUNYWFO-UHFFFAOYSA-N 496.523 2.846 50 10 JFGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1950506964 FCHVMOHEMOVPGF-KGLIPLIRSA-N 457.390 2.744 50 10 JFGE C[C@H](CCl)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1959551087 GXOSNDRJICOMGW-CQSZACIVSA-N 456.005 2.896 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2048006508 VPBQBAWWMVOHHZ-BASLNEPJSA-N 469.401 2.648 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2163051018 PEGSAVRNKCNWHX-KBXCAEBGSA-N 466.442 2.717 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2ccc(F)cc2I)CC1 2169358123 KSSOPQJVWXDDFQ-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2257372469 HWPWNQLMVYCSQY-JOCHJYFZSA-N 473.338 2.653 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2268645821 GQHXERHICTUADN-WNSKOXEYSA-N 491.328 2.792 50 10 JFGE COc1cc2c(C=NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(C(=O)O)n(C)c2cc1OC 2321721554 IGNNBGMREJIASS-AWEZNQCLSA-N 488.541 2.991 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369324691 PCEYMYSJDMGLEQ-DXEZIKHYSA-N 456.967 2.928 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2C)cc1I 13993986 NFLOJMJHMJKGOL-LBPRGKRZSA-N 454.264 2.837 50 10 JFGE O=S(=O)(O)c1cccc(P(c2cccc(S(=O)(=O)O)c2)c2ccccc2C(F)(F)F)c1 117133622 UVEDFUDIRWWBMK-UHFFFAOYSA-N 490.417 2.957 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)c(Br)s1 234583528 HMNJRJMSGJVKDV-YFKPBYRVSA-N 496.946 2.980 50 10 JFGE O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)NNC(=O)c1cccc2cccnc12 726979080 HKQIBTRVCJFFHU-FQEVSTJZSA-N 453.930 2.906 50 10 JFGE CCC[C@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)C(=O)N1CCc2sccc2C1 727228952 KRCOHWSACYTMRX-SFHVURJKSA-N 453.568 2.937 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(F)c(F)c(F)c2)cc1 1566561109 QVLVOAZBVDHSGF-GOSISDBHSA-N 455.458 2.993 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2032225520 RHRMZQRJFDUIOQ-XOKHGSTOSA-N 469.401 2.601 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 2108243527 LSOFZXQKZPYMAZ-KUHUBIRLSA-N 487.391 2.838 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1CCSC[C@@H]1CCBr 2226105101 CZMAPEZPBMURAX-QMMMGPOBSA-N 450.243 2.938 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(B(O)O)c1 2248893806 LHJSTMWZNQMLFK-UHFFFAOYSA-N 462.286 2.761 50 10 JFGE CN(Cc1ccc(I)cc1)S(=O)(=O)N1CCC(Br)CC1 2280347602 QDELWJHQMNPRAJ-UHFFFAOYSA-N 473.174 2.827 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2313860650 HDZOSVUENMHGEN-UHFFFAOYSA-N 493.339 2.780 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2355844879 FXOCRGQQZGQXMN-FUMNGEBKSA-N 457.434 2.855 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CCl)C[C@H]1C(F)(F)F 2357201959 HSYIVWWHPVWWIC-XYPHTWIQSA-N 470.872 2.738 50 10 JFGE CCN1C(=O)/C(=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c2ccccc21 9285173 URXAYSDVGIISLP-YYDJUVGSSA-N 478.530 2.997 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc(OC)c1OC 10041910 VCFLRKBACQDHIS-UHFFFAOYSA-N 461.540 2.550 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623016 GIPZWKBYCXVWCS-HIFRSBDPSA-N 450.322 2.957 50 10 JFGE COc1cc(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c1O 725395757 LTTFAEREFPUAON-HNNXBMFYSA-N 454.264 2.969 50 10 JFGE Cc1nc2ccc(Cl)cn2c1C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084298133 PDGJYHOYVOUGKK-IBGZPJMESA-N 469.929 2.734 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2nc3cccnc3s2)cc1 1167661649 PNHDRZOQIKHLAG-KRWDZBQOSA-N 459.553 2.580 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)C1 1860770964 DKBQBMOVWRIKFC-WDEREUQCSA-N 490.383 2.763 50 10 JFGE CC[C@H](Br)C(=O)Nc1c(I)ncnc1I 1974852829 VVVNINSXDYTMTG-BYPYZUCNSA-N 495.884 2.798 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2065387878 BVKADGSQMGFNDS-GJZGRUSLSA-N 469.401 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CBr)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 2182844273 BOHLZLCSWYAOKQ-IAGOWNOFSA-N 459.406 2.800 50 10 JFGE Cn1ncc(C(=O)NC[C@@]2(CBr)C[C@@H]2C(F)(F)F)c1I 2192580347 MEVRTPVYSHCDKE-XVKPBYJWSA-N 466.039 2.718 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](Br)C2 2325306281 UCRJXZWXQXSZCY-XKQJLSEDSA-N 469.401 2.886 50 10 JFGE COc1ccccc1[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(C(C)=O)c2ccccc21 2432530 XRHFDTWTIOFGQB-HAWMADMCSA-N 455.470 2.951 50 10 JFGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13622914 KQNUITSZJAWTAV-AWEZNQCLSA-N 480.746 2.677 50 10 JFGE O=C(COc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978722 OWZDPBYWDQXECN-UHFFFAOYSA-N 472.748 2.582 50 10 JFGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14031278 OIWLCNKKSIMXMO-UHFFFAOYSA-N 466.357 2.952 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)cc1 17518438 GOIJBCPUGWXMNE-UHFFFAOYSA-N 458.522 2.800 50 10 JFGE COc1cc(/C=N/NC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c([N+](=O)[O-])c1 59462391 OQZZKHLDACBNPV-QPJQQBGISA-N 457.321 2.798 50 10 JFGE COc1cc(C=NNC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 1083892621 QZWRSWICNZAYGA-UHFFFAOYSA-N 478.908 2.728 50 10 JFGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 1083930311 TZKAFERWXUIJRT-UHFFFAOYSA-N 488.544 2.912 50 10 JFGE CC1=C(C(=O)NN=Cc2cccc(Br)c2)[C@H](c2ccc(O)cc2O)NC(=S)N1 1084266668 JJKVIBHBUGJQJM-KRWDZBQOSA-N 461.341 2.803 50 10 JFGE CC(=O)N[C@H](C(=O)NNC(=O)CSc1ccc(C)cc1)c1cccc(Br)c1 1628484792 SLRWYCFGOBYPIO-SFHVURJKSA-N 450.358 2.874 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@H](OCCBr)C1 2113855639 FNNZOTYGKWBGJW-INIZCTEOSA-N 487.416 2.659 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCC(CBr)CC1)C2 2179824976 BFHOGTMXEXSKPY-UXHICEINSA-N 456.450 2.792 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179948311 HLYTXJXOZCUQRA-PMACEKPBSA-N 456.450 2.792 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2243679159 TXXDCTVBKIYYRB-AWEZNQCLSA-N 464.714 2.886 50 10 JFGE CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1)Cc1ccccc1 2320863258 DJRCAILPSYADAO-UHFFFAOYSA-N 452.238 2.761 50 10 JFGE O=C1CN(C(=O)c2ccc(Cl)cc2I)CCN1CCBr 2365582047 MDOMCEKHFRCBQL-UHFFFAOYSA-N 471.520 2.624 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)cc(C)c1 9696090 DZQUOJPFLJCUPC-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12571609 BNFQEPHHBDSUML-LLVKDONJSA-N 472.350 2.870 50 10 JFGE CCc1ccccc1N(CC(=O)N/N=C\c1cc(Br)ccc1OC)S(C)(=O)=O 59436968 RUGFSCBRRQWPKV-MTJSOVHGSA-N 468.373 2.936 50 10 JFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1 59879479 FACWQHCHIAWFBV-GWEZJUCKSA-N 460.347 2.547 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(O)cc2)Cc2ccccc2)cc1 1083902705 SDJZCUGDEIMZGA-UHFFFAOYSA-N 480.546 2.692 50 10 JFGE COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](SSCC[C@@H](N)C(=O)O)/C(=C/C(=O)O)C1 1848437580 BHQAMABUPJQDIU-NINKRYCJSA-N 489.015 2.823 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 1873781605 DNGBLIVZEHWNQC-ACSPXDACSA-N 462.937 2.971 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC1(C(=O)O)CC(NC(=O)OC(C)(C)C)C1 1903757524 IOVVGKVWMOZHIL-UHFFFAOYSA-N 465.638 2.993 50 10 JFGE CN(C[C@H]1CCC[C@@H]1Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942098093 LLXVWXIJYIKBIY-PBHICJAKSA-N 457.390 2.888 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@H](CBr)C1 2046023347 RJYRXFMVAILFPW-KUHUBIRLSA-N 475.380 2.838 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053993989 KVCRXSHCQQPPJQ-JKIFEVAISA-N 469.401 2.601 50 10 JFGE C=CC[C@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2082205484 WZMCZRNJJJUBIG-MOPGFXCFSA-N 475.380 2.908 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2106988518 HSDZSIAOAZVAOH-HIFRSBDPSA-N 457.312 2.637 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@@H]2C1 2163049586 APPHXGSBROTJLG-DZGCQCFKSA-N 466.442 2.668 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)cc2B(O)O)C1 2284015012 ICTBKJZYMMWZNG-DEOSSOPVSA-N 488.777 2.802 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2296557199 YCTRAXLWRQMRNO-FGZHOGPDSA-N 495.630 2.551 50 10 JFGE O=C(CCN1C(=O)C(=Cc2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 2297449911 VZAWOFUOBBVFJP-UHFFFAOYSA-N 456.505 2.647 50 10 JFGE COc1ccc(NC(=O)C(C#N)=Cc2cnc3c(c2)c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 2297493743 FBXSOGCXYLMJBM-SFHVURJKSA-N 451.508 2.654 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(F)c(F)c2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2319025864 CCYSZMMHGOAIMR-UHFFFAOYSA-N 478.260 2.654 50 10 JFGE CC(C)(CI)CN1CCOC[C@]12COCCN(C(=O)OC(C)(C)C)C2 2326666425 FAVHKYFPVSZEJY-SFHVURJKSA-N 468.376 2.786 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)CC1 40823036 BGUVMLRUQVRURY-KOEQRZSOSA-N 488.386 2.994 50 10 JFGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCCN1CCOCC1 96438302 YAWFGJIIVAZKBR-RGEXLXHISA-N 465.506 2.723 50 10 JFGE COc1ccc(OC)c(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 254364388 NPNIBTQJPHQLDX-UHFFFAOYSA-N 498.517 2.958 50 10 JFGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=C\c1ccccc1 254715033 OOOVHJVNNXBHOU-HHUWDJMLSA-N 463.546 2.816 50 10 JFGE CCOc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1O 254759628 OGVCDAAITRQRGF-UHFFFAOYSA-N 459.446 2.726 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)C1CCCCC1 703950360 HNSHTMKTHLASFX-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE O=C(COc1ccc(C=NNC(=O)CC(=O)NC2CCCCC2)cc1)NCc1ccccc1 725386203 LHKPXXFKDLWMJM-UHFFFAOYSA-N 450.539 2.671 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)c1 1303280614 MDDPOEDUIZFUIN-UHFFFAOYSA-N 450.911 2.995 50 10 JFGE CC(=O)N1C[C@H](C(=O)NNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)Oc2ccccc21 1654333046 QGSZYHFLPZYHSN-MRXNPFEDSA-N 458.400 2.815 50 10 JFGE Cc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866646320 DVJSCHIKTUIJLA-UHFFFAOYSA-N 460.581 2.966 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)CI)C(F)(F)CC1 2007707606 INCGMJQVYQXZIP-NSHDSACASA-N 482.331 2.971 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2106771790 BOBQDYJGRFMWTQ-QGZVFWFLSA-N 452.415 2.566 50 10 JFGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)c2ccc(CCCl)cc2)C1 2162601494 LUJXIQNKUUGXEA-LJQANCHMSA-N 452.960 2.784 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179816186 IYFPEEVMAYYDGU-IAGOWNOFSA-N 453.406 2.756 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179866822 NAOYMLOUPROJTG-AEFFLSMTSA-N 453.406 2.837 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2241022008 WQBJEZRMFRRLMA-DTZQCDIJSA-N 466.442 2.762 50 10 JFGE C[C@H]1COCCN1CCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2257736786 SFNGTUAYIFPERP-YJBOKZPZSA-N 468.376 2.928 50 10 JFGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2325255649 LMXMCLAPOKFNLO-UHFFFAOYSA-N 475.914 2.601 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12503525 XQTNRMMAQLPHEH-MDWZMJQESA-N 450.476 2.862 50 10 JFGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1 15245871 WWTOBNRMJJKJTR-UHFFFAOYSA-N 450.513 2.530 50 10 JFGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)/C=C\c1ccc(Br)o1 33524969 PLQUBGDZTACFNF-DAXSKMNVSA-N 457.664 2.722 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCSC[C@H]1CBr 1942088845 MTQUZUXSALQEQZ-CQSZACIVSA-N 475.430 2.595 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](CBr)C12CC2 2016066409 NFQZLBVCYMCRTD-CQSZACIVSA-N 455.374 2.642 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 2295924274 NHPTXZQRLZXFGZ-UHFFFAOYSA-N 470.532 2.956 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696103 QEPFYYMYFKWXAF-UHFFFAOYSA-N 479.356 2.756 50 10 JFGE Nc1c(C(=O)NNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cnc2ccccc12 32605489 BVVALVBOUGZTAD-UHFFFAOYSA-N 451.442 2.692 50 10 JFGE CC(C)CN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 33959105 HPIXITWHKTVUSV-QLYXXIJNSA-N 451.483 2.628 50 10 JFGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl 217142776 IFMYYWXHEUGCEU-NXVVXOECSA-N 460.943 2.701 50 10 JFGE C[C@@H]1C[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 705635811 CMQXSIQXPLLQBE-ZIAGYGMSSA-N 457.390 2.886 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(c3ccccc3C)CC2)cc1 920848571 FSKPDFZFYLQVBO-XLNRJJMWSA-N 498.587 2.998 50 10 JFGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3ccc(C)c(F)c3)cc2)CC1 1676868939 BWGGOLBFYNUCIW-UHFFFAOYSA-N 457.550 2.546 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc(Br)o1)n1cnc2sc3c(c2c1=O)CCCC3 1860772237 WCSDKABZCNOAOR-VIFPVBQESA-N 465.329 2.715 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)c1cccs1 1982720393 SIOGWCIHAQOGNM-AWEZNQCLSA-N 457.371 2.790 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCN2CCOCC2)C1 2007005484 VVZQAUOGZSFDII-KRWDZBQOSA-N 454.349 2.540 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CC2)C1 2046035482 RVCSDKBQFILJEK-FZKQIMNGSA-N 473.364 2.590 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2070539115 PSUSQWVTKNPESH-IEAZIUSSSA-N 473.364 2.731 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1Cl 2164501977 NOFXVMOXSRFCFP-OPYAIIAOSA-N 450.919 2.835 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2c(F)cccc2I)CC1 2282795484 UUSZKCZKFHKKIX-JTQLQIEISA-N 455.109 2.972 50 10 JFGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2304308273 YVEOYLIRSLMJLY-YOEHRIQHSA-N 457.390 2.886 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)c(B(O)O)c1 2317613832 RIDOIHBSBIVJAR-VWLOTQADSA-N 472.350 2.608 50 10 JFGE C[C@H]1CO[C@@H](CBr)CN1C(=O)c1c(Br)c(Br)nn1C 2338691922 XWQLIXZMEYTELM-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE CCCc1cc(=O)oc2cc(OCC(=O)NNS(=O)(=O)c3cccc(Cl)c3)ccc12 1044934 AROPSFGIZRSARE-UHFFFAOYSA-N 450.900 2.787 50 10 JFGE COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)c1 2204495 SJONGKPVYGBJSS-KAMYIIQDSA-N 454.537 2.757 50 10 JFGE CCCOc1ccc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 19651378 PVHKLTJTXQREEI-REMUQMNCSA-N 469.567 2.926 50 10 JFGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cccs1 20287387 VUAOIUSIAPJAAF-GZTJUZNOSA-N 455.521 2.832 50 10 JFGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)c1 101613089 YOMULTDBKYLBNZ-NLRVBDNBSA-N 461.478 2.537 50 10 JFGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1OC 103696147 YXKFOYWHTBLVRM-SDNWHVSQSA-N 484.563 2.976 50 10 JFGE O=C(NN=Cc1cc(Cl)ccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1084138189 JRDPQAZFWXOGTM-UHFFFAOYSA-N 499.833 2.772 50 10 JFGE CSCC[C@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1317809229 PICFIKSXDGMAQD-BZUAXINKSA-N 482.400 2.507 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2113855640 FNNZOTYGKWBGJW-MRXNPFEDSA-N 487.416 2.659 50 10 JFGE Cc1c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc(B(O)O)c1Cl 2268655070 HLBLAZSTNMDDGZ-YWZLYKJASA-N 476.766 2.765 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2296562416 PCQLHOUVUJEOFE-NHCUHLMSSA-N 481.603 2.874 50 10 JFGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325079061 ASHGXMVSGVHZQH-HXUWFJFHSA-N 482.606 2.985 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@]12CC[C@@](CCl)(C1)OC2 2364216223 MXEPTMBOEHOFGC-SFTDATJTSA-N 454.976 2.693 50 10 JFGE COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 169920067 XSHZFWFJRXQWDX-CFRMEGHHSA-N 450.451 2.894 50 10 JFGE COc1ccc(NC(=O)NN=Cc2cc(I)c(OCC(=O)O)c(OC)c2)cc1 1084470583 BQTLLDWNHYWGNV-UHFFFAOYSA-N 499.261 2.927 50 10 JFGE CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C1 1680785775 TXJLDOHUGHPXLQ-MRXNPFEDSA-N 454.556 2.598 50 10 JFGE C[C@H](C(=O)NNS(=O)(=O)c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3 1860770472 JUHSXTDQJVEYCD-LLVKDONJSA-N 466.972 2.561 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 1942097667 JGLPEIYVAHZQSS-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1993397758 RPHZOPRQLFYABR-XJKSGUPXSA-N 452.358 2.572 50 10 JFGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1CC(CS(C)(=O)=O)C1 1995354491 VXQMBVBGZOAXNM-KOHJWAIASA-N 461.362 2.545 50 10 JFGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2001930688 UEVKHUZMYUPIOE-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)[C@@H]1CC=CCC1 2019480545 MQVHMWMUJAJXOV-RHSMWYFYSA-N 455.374 2.712 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](CBr)CC1 2054669307 KGYARSLPVOKHNE-NJSLBKSFSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 2055499957 QLAMUSGBDRGKAC-BONVTDFDSA-N 489.285 2.646 50 10 JFGE C[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2115934779 DJZYYGASMAKIJG-KBPBESRZSA-N 454.431 2.573 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1ccc(Br)cc1I 2212612623 JOTPQKIALOUPRW-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE CCN(C[C@](C)(CI)OCCN1CCN(C)CC1)C(=O)OC(C)(C)C 2255378508 AIMZBEUFJSEUDS-SFHVURJKSA-N 469.408 2.701 50 10 JFGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)CC1 2296545986 FASCBJORSNYGDP-UHFFFAOYSA-N 477.590 2.792 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 13978718 RXGPUAYIOFKOJO-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 14770961 UINSNCXHFHPHIH-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COc1cc2c(cc1OC)/C(=C/C(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NC(C)(C)C2 254504556 VTVKTKKZFZIUAM-FXLBVWPXSA-N 452.467 2.597 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2ccccc2C(F)(F)F)nnn1-c1nonc1N)c1ccccc1 254716083 LISQGHCYGFFJTP-UHFFFAOYSA-N 485.430 2.652 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 703993503 KKJBQTVJRDGZID-CJNGLKHVSA-N 457.390 2.744 50 10 JFGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCCc3ccccc3)cc2)cc1 725411243 NLSKNVGYFNBZCZ-UHFFFAOYSA-N 488.544 2.912 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 917108462 AIBCDIWQLCCARX-UHFFFAOYSA-N 490.545 2.559 50 10 JFGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084363486 DTFURKUAKCDBBO-UHFFFAOYSA-N 474.517 2.522 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 2027526882 RARWVVVJOKLAMF-CQSZACIVSA-N 469.401 2.746 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@@H]21 2108234739 RAOIWLNOYSJAIP-ILHOTROSSA-N 487.391 2.979 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@H](OCCBr)C1 2364025133 UDGPRTDUERSIBS-QMMMGPOBSA-N 473.991 2.961 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1I 12487112 YAUDGQXUOGULBF-UHFFFAOYSA-N 479.274 2.723 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619447 HGECQDBRYFNFMP-NLRVBDNBSA-N 460.490 2.768 50 10 JFGE O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccc(COc2ccccc2)o1 109901664 DMRNALSSMIFMLR-QGZVFWFLSA-N 475.548 2.534 50 10 JFGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 217106189 JIKYWAAWNFYBNF-SILNSSARSA-N 462.506 2.756 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 703967977 WIKKPZCZTXXSMA-HUUCEWRRSA-N 471.417 2.992 50 10 JFGE C=CC[C@]1(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1624842728 PJTRCYLCIIRPEN-OAQYLSRUSA-N 452.577 2.726 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=NNC(=O)Cc1ccccc1 1772718973 YZLMRCOJOLNSBT-ZIJAOZNWSA-N 481.530 2.891 50 10 JFGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743986 NOCKSGCZZHQKDV-UHFFFAOYSA-N 456.518 2.650 50 10 JFGE Cn1c(SCCC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867073049 LJGBPUYTGFIHCQ-SFHVURJKSA-N 482.591 2.653 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 1942097851 KFHAKTHSMAGYBZ-LLVKDONJSA-N 471.295 2.698 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942099421 UFRCOYNHGFSHQG-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)C1 2046027351 BFCBZZBNFFKZNQ-AUUYWEPGSA-N 475.380 2.838 50 10 JFGE CC(C)(C)OC(=O)NCC[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106780072 UWSIMDUSOVNWOK-CQSZACIVSA-N 454.431 2.717 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Cl 2164501979 NOFXVMOXSRFCFP-WFXMLNOXSA-N 450.919 2.835 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2COC[C@@H]21 2189101706 ZMBVEURCDKNQEH-HOTGVXAUSA-N 461.378 2.590 50 10 JFGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1cccc2ccccc12 2313860584 CTFQSPHRTZOGLH-UHFFFAOYSA-N 450.476 2.862 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc([N+](=O)[O-])c1OC 2323619999 GFCQIYZPCNYPFE-UHFFFAOYSA-N 450.451 2.894 50 10 JFGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(Br)cc1 2324091362 QMCHEAITADGBAH-UHFFFAOYSA-N 475.368 2.802 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CCC[C@H]2C[C@@H]1CBr 2329612555 KVFWJLDVSBSLLQ-ACNBBOPNSA-N 487.391 2.979 50 10 JFGE COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1I 12573624 DVSVYFRLMIWQMK-UHFFFAOYSA-N 460.655 2.793 50 10 JFGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13980030 WQZFGKPDPZWLKF-UHFFFAOYSA-N 450.476 2.976 50 10 JFGE COc1cccc(NC(=O)/C(C#N)=C\N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 254307795 NKNOCDMMDKGEQH-YTWDENCJSA-N 498.586 2.825 50 10 JFGE Cc1cc(C)cc(OCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 727364320 ROWMSBONHQJCLX-UHFFFAOYSA-N 452.555 2.794 50 10 JFGE Nn1c(SCCCC(=O)NN=Cc2cccc(Br)c2)nnc1-c1cccnc1 1084047891 LTYYJOUQORRGST-UHFFFAOYSA-N 460.361 2.839 50 10 JFGE C=C(C)[C@@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccc(F)c(F)c1 1564596391 BNOIHBCBMQJTEG-MRXNPFEDSA-N 451.499 2.828 50 10 JFGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860771262 OLYOHUFKGDEWHO-UHFFFAOYSA-N 478.530 2.750 50 10 JFGE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNS(=O)(=O)CI 1990189178 QKWAHUAJNLSJGQ-NSHDSACASA-N 472.370 2.894 50 10 JFGE Cc1nc(I)c(NC(=O)[C@@H]2C[C@@H]2Cl)c(I)n1 1991674436 DRDIKDZNNQENNT-UHNVWZDZSA-N 463.444 2.560 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCCBr 2046030020 VNQGPQRSLITAIX-AUUYWEPGSA-N 475.380 2.980 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(CBr)C[C@@]2(C)C1 2046800479 BFCOIDDEGATSOS-VQTJNVASSA-N 469.401 2.746 50 10 JFGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(CCCl)cc1)OCc1ccccc1 2162587145 QPSLJLOUHKMXNV-VQTJNVASSA-N 452.960 2.830 50 10 JFGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CCOCC12CCN(Cc1ccccc1)CC2 2179832253 IHEZBBBNJWYZHS-KDURUIRLSA-N 457.434 2.857 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2185292858 KHEASNYYAJDBPF-RLCGTCKNSA-N 452.086 2.764 50 10 JFGE Cc1ccc(B(O)O)c(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2248901966 KTNOXCSCIKBNFO-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)s1 2256605303 KBRIGESDACBSRW-DEOSSOPVSA-N 492.406 2.916 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2256627723 BTLVWORMKPXWDX-UPCLLVRISA-N 492.406 2.998 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc(Br)c1O 2320479831 JBTWPNYSDYAGQN-UHFFFAOYSA-N 465.329 2.702 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]1C2 2359250241 CSLBCDFUDZOMPX-RLFYNMQTSA-N 461.378 2.685 50 10 JFGE Cc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 10736633 MUHGOOCSHTYRPC-UHFFFAOYSA-N 454.552 2.736 50 10 JFGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c1 14011471 SYXQDNZTLCVANQ-UHFFFAOYSA-N 498.605 2.610 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 34917411 BSJWPRHAOPEWGL-XFFZJAGNSA-N 454.552 2.766 50 10 JFGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40645783 FCPYCUMWVFDARK-UHFFFAOYSA-N 481.425 2.899 50 10 JFGE Cc1c(C(=O)N(CC#N)CC#N)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823039 YSPNCKZPPUVQAR-MFKUBSTISA-N 469.299 2.705 50 10 JFGE COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 254867184 APTHZFZGZKCIFN-UHFFFAOYSA-N 487.534 2.647 50 10 JFGE Cc1occc1C(=O)NC1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 727402948 NJTTXLMUCWJXAD-UHFFFAOYSA-N 475.549 2.980 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@H](C)C2 730468669 FJMXXXWKCWMYNW-SKDZVZGDSA-N 470.522 2.999 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084115170 BVJOGRJMDRALBC-UHFFFAOYSA-N 499.553 2.997 50 10 JFGE C#Cc1cccc(CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)c1 1629923888 LBEVEYQSOIUVGQ-STZFKDTASA-N 453.502 2.639 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c2c1C 1860771669 CTYSBWLAAFIGRQ-JTQLQIEISA-N 469.350 2.997 50 10 JFGE CC[C@H](Br)CCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531954 GBSFECHWIMPYGS-UGSOOPFHSA-N 463.369 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CBr)C2 2046021543 CHDMAXBYFODBHX-YGOSVGOTSA-N 473.364 2.588 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)sc1Br 2057676422 YSZXCHVUKIWIKS-PHDIDXHHSA-N 482.013 2.563 50 10 JFGE CC1(C)CC(C(=O)Nc2ccc(B(O)O)cc2)CC(C)(C)N1OCc1ccccc1[N+](=O)[O-] 2070299884 MIVKGCFNTRTFBS-UHFFFAOYSA-N 455.320 2.614 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1(C)C 2127908086 VQYFPEJIGYRIAQ-OCCSQVGLSA-N 454.431 2.620 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCc2ccc(OC)c(OC)c2)c(OC)c1 2314789546 DLNAEEPGGSLPAQ-UHFFFAOYSA-N 468.506 2.920 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccccc1 12500793 DDGYQFJEDKIVDD-UHFFFAOYSA-N 487.173 2.926 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084645681 SDHVSEHLJKJZFP-UHFFFAOYSA-N 471.473 2.952 50 10 JFGE C#CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@@H]1CCOc2ccc(Br)cc21 1559543883 HYIYHDCBHODOOW-LJQANCHMSA-N 456.340 2.978 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163050488 KFKJBZGZUYJAND-GOSISDBHSA-N 466.442 2.814 50 10 JFGE C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cnn(CCCBr)c1 2179790215 APSOURVBEQNFSV-QGZVFWFLSA-N 455.422 2.953 50 10 JFGE O=C(NC[C@H]1CC[C@@H](CBr)CO1)c1ccc(I)c(O)c1 2279403446 AKDIETYLQNLFKX-GXSJLCMTSA-N 454.102 2.917 50 10 JFGE CN1C(=O)C(=NNC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2ccccc21 2297322234 XJNLMLDJWXGASH-UHFFFAOYSA-N 469.457 2.863 50 10 JFGE CCc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2318462337 GZJRGINZTKMJFT-LJQANCHMSA-N 452.580 2.840 50 10 JFGE COc1cc([N+](=O)[O-])c(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1O 2323652832 HCULGFHWLPHOMK-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1ccc(Cl)cc1I)N1CCOCC1 2365595768 NPMQYYWOTNRTAE-LLVKDONJSA-N 450.125 2.887 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1 9821702 GSWSJFNARKIPCA-UHFFFAOYSA-N 459.568 2.940 50 10 JFGE C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 33551514 CLODVDNZJIWGQY-JZJYNLBNSA-N 484.560 2.547 50 10 JFGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(/C)c2ccc(N3CCOCC3)cc2)c1 34860481 DZHHOPFIMQTVIA-MOHJPFBDSA-N 458.584 2.708 50 10 JFGE C=CCc1cc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 39933915 JTGACLYZOKYVIV-WHSZKSQWSA-N 453.495 2.763 50 10 JFGE CCN1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40610677 YTWYZGPZXXDRNR-UHFFFAOYSA-N 461.526 2.802 50 10 JFGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40658059 JWGNOBXCANVNGF-UHFFFAOYSA-N 452.387 2.752 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)NCCc1ccc(I)s1 726980095 NGRVAIMLLDPMFU-UHFFFAOYSA-N 459.309 2.695 50 10 JFGE CCOc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 1084274026 RSOFXYMHLPGRJA-UHFFFAOYSA-N 473.946 2.856 50 10 JFGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1cccs1 1084278542 KCNQJLUGMFSRIN-UHFFFAOYSA-N 490.527 2.950 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc2c(c1)OCO2 1084303197 MNHOPUZUGLUAHK-UHFFFAOYSA-N 487.929 2.576 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 1466154273 WZWXGYCQYVGMBV-AWEZNQCLSA-N 450.430 2.706 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 1615356647 AAAQRZCQXSZKHA-AWEZNQCLSA-N 454.321 2.525 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 1644837820 AXTDDAODXVGUMI-OAHLLOKOSA-N 454.556 2.747 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@]1(C)CBr 2108230717 KJHYTUFRZUPWLE-IRXDYDNUSA-N 497.333 2.835 50 10 JFGE Cc1cc(CNC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ccc1B(O)O 2273748558 AEXXMYSKFISXGM-SANMLTNESA-N 486.377 2.854 50 10 JFGE CC(C)(C)OC(=O)N1CCOCC12CCN(CCOCCI)CC2 2306805014 OAPNZFIZPICEFT-UHFFFAOYSA-N 454.349 2.540 50 10 JFGE Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c1 13981131 HPKGAKAMCYAZCY-UHFFFAOYSA-N 483.331 2.623 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 14770967 QMMNVZVPFSVRDQ-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1 18052536 JLLSFPGFTWNMPS-QGZVFWFLSA-N 496.527 2.810 50 10 JFGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(Cc3ccc(F)cc3)c3ccccc31)C(C#N)=C(N)O2 39919019 LBEVNHKJNNUOBI-NDEPHWFRSA-N 499.546 2.777 50 10 JFGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccccc1Br 40658376 LEGGQQMXGAAXPR-UHFFFAOYSA-N 499.329 2.626 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596872 XZHGHQSSZKRGOC-LGUFXXKBSA-N 460.490 2.768 50 10 JFGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H](CO)[C@H]1O 197370586 XZQPQOSSEMTXOW-BREDGVMVSA-N 485.617 2.720 50 10 JFGE Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772078 QBUVUNOKDWEQIF-CZUORRHYSA-N 468.579 2.987 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)[C@@H]1Br 1942096783 CZCPQKSEBRDIEM-HALDLXJZSA-N 457.390 2.744 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CC[C@H](CBr)C1 1942369259 JJPMIQCCTIHKNA-GJZGRUSLSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)NCCN(CCI)CCNC(=O)OC(C)(C)C 1953186182 FTVKGEJEXUPVFE-UHFFFAOYSA-N 457.353 2.773 50 10 JFGE CC(C)(C)OC(=O)N1CCC(n2cc(NS(=O)(=O)CI)cn2)CC1 2007724091 UFLVPCJQLDPPHO-UHFFFAOYSA-N 470.333 2.589 50 10 JFGE O=C(NC[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)OCc1ccccc1 2044684787 SFISTTKOZIJJGM-QGZVFWFLSA-N 474.421 2.729 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2106777173 PZHZCNPVURLQJU-QDMKHBRRSA-N 452.415 2.611 50 10 JFGE O=C(c1cc(I)sn1)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2135057650 DMPUISVPQSFSNQ-UJNFCWOMSA-N 457.131 2.762 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2163059295 RWAHTFWSDVMGJO-CQSZACIVSA-N 466.442 2.717 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2ccc(I)c(O)c2)CC1 2169349405 RKSPSMYSGFSLDQ-SNVBAGLBSA-N 453.118 2.538 50 10 JFGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248400938 CUDNTHYUXWFIDO-MRXNPFEDSA-N 478.379 2.622 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2314755793 HTVOCIXJRDIHEM-BXUZGUMPSA-N 483.306 2.793 50 10 JFGE Cc1sc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(B(O)O)c1C 2319284261 JONGOSUHNINQJR-UHFFFAOYSA-N 490.390 2.732 50 10 JFGE Cc1[nH]c(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C/c1ccc(C(=O)O)cc1 8683307 CZZOVTKKHKQHJV-KOZSXFMUSA-N 475.461 2.556 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12570133 GGQRKJNFUGPGGG-SNVBAGLBSA-N 487.321 2.770 50 10 JFGE Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CSc2ccccc2F)cc1 12587925 APACQFSBZKGBNK-GOSISDBHSA-N 467.588 2.767 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629861 IDOQRXKFFBTUBF-VXGBXAGGSA-N 484.734 2.659 50 10 JFGE Cc1cccc(OCC(=O)NN/C=C2\C=C(Br)C(O)=C(Br)C2=O)c1 33913172 VDJIDVWDFOSLIS-JXMROGBWSA-N 458.106 2.905 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)N[C@@H](C)c3nc(C)cs3)c2)cc1 727942381 IIYZVTSRFBBZLC-AWEZNQCLSA-N 489.579 2.966 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1 1860770005 PDXBXWZIIIUDAK-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE COc1cccc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OCc1ccccc1F 1873792783 QZPAMZKODPTFDK-UVHMKAGCSA-N 476.464 2.979 50 10 JFGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCC1CC(S(C)(=O)=O)C1 1905122502 RRTBTHHZUPLKIB-QOZQQMKHSA-N 461.362 2.545 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2032225519 RHRMZQRJFDUIOQ-KBRIMQKVSA-N 469.401 2.601 50 10 JFGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2086023443 FWNMWQNQHCWRDS-CLCXKQKWSA-N 475.380 2.882 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2146692134 IUPSHIMEYZNYRF-GAFUQQFSSA-N 452.086 2.764 50 10 JFGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1ccc(I)c(O)c1 2279403447 AKDIETYLQNLFKX-KOLCDFICSA-N 454.102 2.917 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC 2321721592 QODOJWMSYKCKNE-ZDUSSCGKSA-N 474.514 2.981 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@@](C)(CBr)C1 2364032591 VQPOZFGVZUFVNV-LBPRGKRZSA-N 473.991 2.819 50 10 JFGE COc1cc(C=NNC(=O)c2cc(C)[nH]n2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2067504 KXBIERCCDMECFD-UHFFFAOYSA-N 468.466 2.736 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14660762 KZMBWNHCECSAPR-INIZCTEOSA-N 467.547 2.968 50 10 JFGE COC(=O)c1ccc(Oc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40587676 FHZBQEXTGOEHSV-UHFFFAOYSA-N 454.355 2.629 50 10 JFGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40658277 URRGWDYDUAGTCC-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE CCc1cc2c(=O)n(CC(=O)N/N=C\c3cc(Br)c(O)c(OC)c3)cnc2s1 103751369 HPEMWAGFHHALNL-YXSASFKJSA-N 465.329 2.647 50 10 JFGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207202572 JVVIPQMLLHIFEI-GYYIQJFNSA-N 473.485 2.982 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2c(C)cccc2Br)c1 1165373278 WVOWRZDCHKUUQV-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1522791746 TVPGVWNNFSEEBN-FQEVSTJZSA-N 456.543 2.745 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(CS(C)(=O)=O)cc3)c(C)n2)cc1OC 1865759295 SCYAFVUMIBHDKA-UHFFFAOYSA-N 483.546 2.694 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CC1 1942316004 QVFTZQYRWAVGQC-AWEZNQCLSA-N 457.390 2.649 50 10 JFGE CC[C@](C)(CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546308 ZLTMXEKPKBGASV-ZWKOTPCHSA-N 463.369 2.884 50 10 JFGE CN(C)[C@H]1CN(c2ncc(I)cc2Br)C[C@@H]1Br 2015765035 DEWLADOYGKSCGN-UWVGGRQHSA-N 474.966 2.962 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)CC12CCCCC2 2217435653 JNXUXNNNFXDUHW-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@H]2COC[C@@]2(CBr)C1 2234579189 IQUJXGPNONWWJA-LKFCYVNXSA-N 454.077 2.914 50 10 JFGE O=C(c1c(F)cccc1I)N1CCCN(CCBr)CC1 2282802360 PTHHZOQDFOHOLU-UHFFFAOYSA-N 455.109 2.973 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@](F)(CBr)C1 2316825005 AYWQLTJLQNUHHB-IBGZPJMESA-N 475.380 2.982 50 10 JFGE C=CCc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 59247137 IHZMMMZCWPVJOY-MFKUBSTISA-N 468.510 2.693 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCCN1CCOCC1 98063447 HSOWPCLFHXJFMJ-AQTBWJFISA-N 452.467 2.860 50 10 JFGE CC(C)N(Cc1ccccc1)C(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217187808 PEHWLNOEDFQWMJ-QOCHGBHMSA-N 452.580 2.838 50 10 JFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)cc(OC)c1OC 254392792 CVZSSPHPYBOCHT-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772027 ORIROUSUKVSMBX-STQMWFEESA-N 470.551 2.622 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860772379 XCYBHPOXIOGGKA-HUUCEWRRSA-N 454.552 2.679 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccccc2I)C1 1873777245 DALBOEBHXRKFAF-CYBMUJFWSA-N 450.280 2.682 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCCO1 1926759551 HSUIMZYOBBXLMX-JKSUJKDBSA-N 487.416 2.705 50 10 JFGE C[C@@H](Br)[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096808 DITOPXLKPSGKRI-CABCVRRESA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1CC[C@H]2Br 2028287741 IKXIXYWYONODLL-CKEIUWERSA-N 469.401 2.886 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC12CCC2 2046018375 IGWSQBNBDNQNLR-FZKQIMNGSA-N 473.364 2.733 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Br)c(Br)s1 2057674422 IBDHOQDQOLTFOT-PHDIDXHHSA-N 482.013 2.563 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CCl)[C@@H](C(F)(F)F)C1 2106979559 JHQDJJGQLLPENO-WFASDCNBSA-N 452.882 2.742 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2162586479 JARVYKJGBBEUER-CWRNSKLLSA-N 466.442 2.716 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2C[C@H]1CBr 2278976580 LKXRPOVYKDLCEE-KRWDZBQOSA-N 477.380 2.824 50 10 JFGE CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 20923317 VSYCQUWSPSHHIE-ZMOGYAJESA-N 484.561 2.789 50 10 JFGE O=C(Cc1nc2ccccc2[nH]1)NNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24002316 HPIRGRHTBCLJDY-OAHLLOKOSA-N 463.441 2.775 50 10 JFGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 205505436 YCTRAXLWRQMRNO-OXRFAJKYSA-N 495.630 2.551 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 742401284 BJVNQQKRCWONMM-KNGGAZFVSA-N 478.597 2.578 50 10 JFGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cc[nH]n2)c1 1641298591 GLCQBLGKLFVXOP-UHFFFAOYSA-N 459.915 2.519 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)nc2c1 1860771458 XKKZDJJVBSZMJF-UHFFFAOYSA-N 458.503 2.542 50 10 JFGE CCN(C(C)(C)CBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000534133 UNMXGDGPEHFCNJ-SFHVURJKSA-N 463.369 2.836 50 10 JFGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1OCC 2313567604 ISKNWQMIIAKYJG-UHFFFAOYSA-N 472.279 2.627 50 10 JFGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)c1 12573544 FLVDNGYEWAQDIN-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc3ccccc23)cc1 12573977 VHKMGMYOECBWRQ-UHFFFAOYSA-N 450.520 2.903 50 10 JFGE COc1cccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 58991963 KLVQZMONELIWAN-OEAKJJBVSA-N 469.527 2.988 50 10 JFGE CC(C)(C)SCC(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59153418 AVNLNFMUDJSEGQ-LHLOQNFPSA-N 464.547 2.681 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)c1ccccc1Cl 1083922624 GSCFYLRTXZPSRE-UHFFFAOYSA-N 488.747 2.748 50 10 JFGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 1084142530 PQKQEXQLGBQPBE-UHFFFAOYSA-N 468.426 2.843 50 10 JFGE C#CCCCC(=O)NNC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S)nc2c1 1178773050 SNAKBZYVHBVLRR-UHFFFAOYSA-N 454.939 2.951 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=S)Nc2ccc(OC)c(F)c2)CCCN1C(=O)OC(C)(C)C 1556399205 GHVQJAQHEIBJEN-NRFANRHFSA-N 450.536 2.945 50 10 JFGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)c3ccc(Br)cc3Cl)[C@H]2C1 1635917715 HGNVBLVANCSOSZ-PJODQICGSA-N 457.756 2.694 50 10 JFGE Cn1nc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)c(Br)c1Cl 1910007531 URPFEEKWQVZGBV-RFZPGFLSSA-N 450.356 2.819 50 10 JFGE CC(C)[C@@H]1[C@H](Br)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2011349240 RTFIMACDNHAYRD-IAGOWNOFSA-N 457.390 2.886 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(C)C[C@]2(CBr)C1 2046800477 BFCOIDDEGATSOS-PMACEKPBSA-N 469.401 2.746 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)[C@H]2CC[C@@H]1C2 2058366255 KTUXRKJDARMDKC-JJRVBVJISA-N 469.401 2.886 50 10 JFGE C[C@H]1CCN(S(=O)(=O)c2cnn(CCCBr)c2)CCN1Cc1ccccc1 2179786431 AMLDKQDRXQKMSE-KRWDZBQOSA-N 455.422 2.953 50 10 JFGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179824472 VSGXYCPNXTZWNE-MSOLQXFVSA-N 471.442 2.959 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CN(CCOCCI)CCO2)C1 2306801972 LAHNKRHKRABOTL-KRWDZBQOSA-N 454.349 2.540 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310038579 AXTZGCCECCAIEI-MGBSGCIJSA-N 469.401 2.790 50 10 JFGE O=C(NC1(C(=O)Nc2cc(F)c(F)cc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2326788460 IPRMYUXTGZCFAE-UHFFFAOYSA-N 478.260 2.654 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)c(C)c1 10736466 CUVLGNLMHXIRRS-UHFFFAOYSA-N 468.579 2.657 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110357 JCRCBQWALLJROE-QRVIBDJDSA-N 476.331 2.770 50 10 JFGE CCOc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)NCCOC)cc1OC 206404090 HFMIFHJBNAAZME-AQTBWJFISA-N 454.479 2.748 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC)c(OC)c2OC)sc2c1CCCC2 254293329 UMCXVCNADOJLFM-UHFFFAOYSA-N 489.550 2.918 50 10 JFGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(N(CC)CC)cc3)nnn2-c2nonc2N)cc1 254475129 KFBHLRVOFWFYTK-UHFFFAOYSA-N 489.540 2.908 50 10 JFGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 704003897 UIURWCCOZAOOTC-CJNGLKHVSA-N 457.390 2.886 50 10 JFGE COc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC 727532901 DMYOXQLFGOQMEQ-UHFFFAOYSA-N 498.561 2.534 50 10 JFGE CC(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)ccc1OC(C)C 1350639543 XLRZMMFMNYEZRL-UHFFFAOYSA-N 452.555 2.650 50 10 JFGE C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1636098262 DUKKJTGSMXVLLA-HXUWFJFHSA-N 456.568 2.603 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1Br 2000532134 HKKAKOILTZWOGK-VKJFTORMSA-N 461.353 2.636 50 10 JFGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 2106303178 RUHUOKRJQCUONR-RTBURBONSA-N 483.384 2.944 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CC2(CCC2)C1 2108234847 RXCDPXQLZQFAPS-LIRRHRJNSA-N 487.391 2.980 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CN(C)C[C@@H]2Br)cc1Br 2146526272 UXDHMZLMQCYKLB-WDEREUQCSA-N 491.043 2.876 50 10 JFGE COc1ccc(N2C(=NC=C(C#N)C(=O)NCCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 2296608227 BJBWQQADKZCSHN-YADHBBJMSA-N 496.614 2.536 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296849766 QCHTVMMRBTWKAX-QZTJIDSGSA-N 464.547 2.955 50 10 JFGE Oc1ncnc(NCC(F)(F)C(F)(F)CI)c1I 2314942566 LFQMYMUGZBRJDQ-UHFFFAOYSA-N 490.964 2.904 50 10 JFGE CCN1CC[C@@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338867719 RFYNKXLPQWTNLU-BQBZGAKWSA-N 480.020 2.805 50 10 JFGE COCCn1nc(Br)nc1CNCCSSCCNC(=O)OC(C)(C)C 2353741709 FLCAFUWAOMBNJW-UHFFFAOYSA-N 470.459 2.683 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccccc1 12571340 ZOXJHKBGUUTZLL-UHFFFAOYSA-N 487.173 2.926 50 10 JFGE O=C(CCc1ccccc1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016321 FXPYOSDATGDUPC-UHFFFAOYSA-N 455.580 2.987 50 10 JFGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1ccccc1F 254700173 GUZAPUHGSGWPCR-UHFFFAOYSA-N 474.452 2.857 50 10 JFGE C[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 703993505 KKJBQTVJRDGZID-XJKSGUPXSA-N 457.390 2.744 50 10 JFGE O=C(NN=C1CCN(CCc2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 915946346 GRIKQSMVQQOQHK-UHFFFAOYSA-N 454.596 2.895 50 10 JFGE COc1cc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(O)c(OC)c3)c(C)nc2C)ccc1O 1772721611 CPMAPHOCEOLSCT-UHFFFAOYSA-N 491.504 2.655 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758688 MFFRLWXHKHDYRK-OAHLLOKOSA-N 458.474 2.511 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942099422 UFRCOYNHGFSHQG-WMLDXEAASA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCCC[C@H]2NS(=O)(=O)CI)C1 1983330861 SUUWYZSIRDPUAZ-DOMZBBRYSA-N 458.362 2.868 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C1 2106777084 PBNJLSJXUHIYCS-SHZVTRLKSA-N 451.438 2.813 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2268652176 SADAFAOUIPFLOR-WXTAPIANSA-N 486.377 2.936 50 10 JFGE COc1ccc(CNC(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 2324840897 WSBJADGIUYSAAX-UHFFFAOYSA-N 490.969 2.505 50 10 JFGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1cccc2ccccc12 10450690 CTFQSPHRTZOGLH-VAWYXSNFSA-N 450.476 2.862 50 10 JFGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4C3)cc2)cc1 15659457 BARKFVYUBPOZNO-IBGZPJMESA-N 495.557 2.898 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C 19651408 UCYRPLKFJLPHFN-VXHUXDJESA-N 469.567 2.924 50 10 JFGE C[N+](C)(C)CC(=O)NNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 48547674 VWUXVXJEHJJDCK-WQRHYEAKSA-O 450.346 2.618 50 10 JFGE O=C(CCc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254625029 WLVSKMYGHFWKGB-UHFFFAOYSA-N 484.512 2.531 50 10 JFGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 1083971285 LXFYIAASGCZOTL-UHFFFAOYSA-N 494.479 2.949 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 1303280438 IXAAYXRIJMKPQN-LJQANCHMSA-N 451.508 2.507 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)C1 1860770961 DKBQBMOVWRIKFC-GHMZBOCLSA-N 490.383 2.763 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)n1 1865760330 SEBCNCKLIZSOMU-UHFFFAOYSA-N 458.474 2.513 50 10 JFGE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 1866129353 PBFPALYYIGCEGM-CWZJEYLYSA-N 457.284 2.681 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](CCBr)C1 1942087131 FFWYODITUXKHBI-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(F)CC[C@H](CBr)CC1 2058309568 ORZFMTDTTLWNHC-QUWSVYMGSA-N 475.380 2.886 50 10 JFGE CN(C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2163051392 SSWKSHKYWFIBNU-XYPWUTKMSA-N 466.442 2.953 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)Cc1ccccc1I 2178898707 UIQYUNYQIPYOJR-STQMWFEESA-N 451.146 2.760 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CCCCBr)CC1 2248082781 GHCXILZFTFUERC-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccco1 12502788 GYPKFIZCRDTMOE-UHFFFAOYSA-N 477.134 2.519 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)cc1 17518507 JLGGYUJZJIXHRW-IBGZPJMESA-N 494.013 2.632 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC1CCCCC1 217204212 LMTQAKHHYQEUFD-PFONDFGASA-N 452.964 2.629 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CCBr)C1CCCCC1 725091093 ZVYORAMCWXXKDH-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1nc(N(CC)CC)nc(N(CC)CC)n1 1142246205 AVVFAPQXEZQZLW-INIZCTEOSA-N 452.563 2.522 50 10 JFGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1 1214911672 DGKMORPHFIXFAA-UHFFFAOYSA-N 457.556 2.900 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)ccc1Br 1464799378 UIDFXECKQBJDLM-OAHLLOKOSA-N 454.321 2.525 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924280408 MNUDYMPXSIZWKY-BTYIYWSLSA-N 499.427 2.657 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106296545 ANVPCOFYRJBTQM-DZGCQCFKSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106296547 ANVPCOFYRJBTQM-UKRRQHHQSA-N 454.431 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2106301861 JUWWWBLKTCKGFH-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@](CBr)(C(F)(F)F)C1 2111394678 PIOXMOZIBUWZTM-OAHLLOKOSA-N 457.312 2.782 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2220272311 ABNZDYGPBLLZJM-UGSOOPFHSA-N 473.364 2.733 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2248396912 GKGFCKCTUXPGTG-HZPDHXFCSA-N 478.379 2.875 50 10 JFGE COc1ccc(B(O)O)cc1NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257378547 HBAKSAPGWJECAX-UHFFFAOYSA-N 474.322 2.632 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2309226253 SVLOODURVWYFMY-LIRZEXBASA-N 469.401 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2338797537 ZSPFGSYTQFKMRM-JZKQVHKSSA-N 487.391 2.836 50 10 JFGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C1 10736561 FICQCWFZDNMWEN-IRXDYDNUSA-N 468.579 2.920 50 10 JFGE CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623284 NFWKJISOUJPLNY-INIZCTEOSA-N 460.328 2.658 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC)c2)cc1 14641648 FHJULRDXGJHVOJ-UHFFFAOYSA-N 473.551 2.757 50 10 JFGE COc1cc(OC)c(OC)cc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 32576967 YISRPBREIVLKBB-QFEZKATASA-N 460.962 2.634 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](Br)CC1 703998525 CEQVZIOSBIZNHM-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)cc1 914460568 DPGSIYUJZMRPMG-ZHZULCJRSA-N 454.490 2.906 50 10 JFGE COc1cc(CCNC(=O)C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1084192466 VBFJBTMZWRLSGI-UHFFFAOYSA-N 454.310 2.828 50 10 JFGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccccc3)cc2)cc1OC 1772720189 HOWUOSKEWVUXQN-UHFFFAOYSA-N 461.474 2.803 50 10 JFGE CCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)cc1 1865758906 XHKMAGPRDIKKMX-UHFFFAOYSA-N 466.563 2.945 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CCC[C@H]1CBr 1942095812 WCOBHWMMUHPLME-GJZGRUSLSA-N 457.390 2.793 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H](Br)CBr 1961815340 NIEWNWFJBWPWPU-LBPRGKRZSA-N 496.221 2.531 50 10 JFGE O=S(=O)([C@@H]1CC[C@H](CBr)C1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185501823 ALNZDFOMNZKFNM-ZGXWSNOMSA-N 457.434 2.855 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248414307 ICGZWPKKJNNDMF-INIZCTEOSA-N 458.323 2.795 50 10 JFGE CC[C@H]1[C@@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250978372 OFDULRGGIQGQIT-HOTGVXAUSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2358599915 IAFBJSSBZXJFRA-FMKPAKJESA-N 466.442 2.716 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCC(OCCBr)CC1 2364031104 GPVACQIUPUQAPU-UHFFFAOYSA-N 473.991 2.961 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12503457 YUWOZAQRNPJAQH-UHFFFAOYSA-N 457.295 2.925 50 10 JFGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623512 RGQNDISGUXDVAA-IBGZPJMESA-N 482.606 2.940 50 10 JFGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14022089 KKNLAWWVFWDNIM-UHFFFAOYSA-N 475.483 2.877 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 14655698 VILFWZBXSNRRLC-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE O=S(=O)(NCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(CBr)cc1 397526402 XWERYXSOHMCFFZ-UHFFFAOYSA-N 453.402 2.887 50 10 JFGE CCN(CC)c1ccc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1 1084365316 LEHYAGPGAULGCW-AWEZNQCLSA-N 458.592 2.525 50 10 JFGE CCn1c(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc2c1=O 1087085835 IUZBRHAEFKKBEA-ZDUSSCGKSA-N 470.327 2.675 50 10 JFGE C=C(C)CONC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1144640464 XVUDCGIUVJATKD-NVNXTCNLSA-N 458.316 2.719 50 10 JFGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770309 BWEAJXXUVQGTDX-UHFFFAOYSA-N 498.586 2.760 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Cl)C[C@@]2(CCCO2)C1 1924215902 JVMQUNXDIPTYJQ-KKSFZXQISA-N 454.976 2.645 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NS(=O)(=O)CI)C(C)(C)C 1983328363 WPWZXQAGKMFNAR-MLMJSJRWSA-N 482.406 2.746 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@H]1CBr 2046019043 LWCIFPBPGNVOOA-UGSOOPFHSA-N 473.364 2.590 50 10 JFGE CC1CC(CBr)(N(C)S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046095735 SGLQFLKFTWLUPE-SZSCYUJKSA-N 475.380 2.836 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1C 2301721822 CHCSXFWQYSIMGV-HSZRJFAPSA-N 458.323 2.931 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 13976752 PVCNGJJRZHBZMF-UHFFFAOYSA-N 483.331 2.568 50 10 JFGE COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40649803 XIXDGPDFBVCUCJ-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40784185 WYVQJOWQEQQIQZ-UHFFFAOYSA-N 456.304 2.644 50 10 JFGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 216829133 SWWDZOGQHGVTTE-YPKPFQOOSA-N 491.913 2.727 50 10 JFGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727296120 LRKPZNZXYLPAQP-IBGZPJMESA-N 482.581 2.964 50 10 JFGE COc1cc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OCCC(C)C 749160661 CIXWVBIIYSDCBE-QGZVFWFLSA-N 495.623 2.796 50 10 JFGE CC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)[C@@H]3C(=O)Nc4ccccc4C3=O)cc2)cc1 1298494800 UHFBFLDOXRCCLO-NRFANRHFSA-N 457.442 2.894 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)cc2F)cc1 1566591362 SWFAWTKEISVNSU-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cc2ccccc2cc1O)c1cccc(Br)c1 1608490289 RVCXJXIKXHRZLC-LJQANCHMSA-N 456.296 2.946 50 10 JFGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)CI)OCc1ccccc1 1879993836 OEWNUGMOROZUOX-UHFFFAOYSA-N 470.329 2.667 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018108154 PDLONFFAYYMWAX-XLWVJDPXSA-N 461.353 2.588 50 10 JFGE C[C@]1(CBr)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024166 YFSQUOHTPMZIBB-RTBURBONSA-N 475.380 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(CBr)CCOCC1 2089700188 FQJGMVXCAWRAJF-UHFFFAOYSA-N 487.416 2.564 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]12CCC[C@@]1(CBr)C2 2142940928 RJJFOJCIWZXXEP-SLFFLAALSA-N 487.391 2.886 50 10 JFGE C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2cnn(CCCBr)c2)C1 2179787347 NLXXUZOXNFAUOY-QGZVFWFLSA-N 455.422 2.811 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2Cc1ccc(CBr)cc1 2183500876 VJDGVWSQGWUDNS-UHFFFAOYSA-N 459.406 2.801 50 10 JFGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2257381882 OZNFTFPSSAYRFL-INIZCTEOSA-N 493.394 2.661 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2282797518 PEHUKOKPBMDGAQ-PTRXPTGYSA-N 454.077 2.912 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 13976716 KNIIZYUELBTRAO-UHFFFAOYSA-N 477.930 2.919 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)cc1Br 14770923 ZITXDVJLLJGBAO-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611561 WAZXGEXRBSAQHU-NHFJDJAPSA-N 490.516 2.664 50 10 JFGE COc1cccc(C=NNC(=O)CCC(=O)Nc2ccccc2I)c1O 252620651 MIQZVRBEPPZXBT-UHFFFAOYSA-N 467.263 2.874 50 10 JFGE CC1CC(CBr)(N(C)S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2000576284 HIIHLAASSANUFO-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@H]1CBr 2007529037 MFPXSZYVZFTNDG-AWEZNQCLSA-N 455.374 2.664 50 10 JFGE C[C@@H]1CCN(S(=O)(=O)c2cnn(CCCBr)c2)CCN1Cc1ccccc1 2179786432 AMLDKQDRXQKMSE-QGZVFWFLSA-N 455.422 2.953 50 10 JFGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 2296311744 QYXLSUDIEWJCNW-UHFFFAOYSA-N 475.617 2.904 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)C12CCC2 2326680452 VXQDYVVRVVYOHR-YOEHRIQHSA-N 469.401 2.936 50 10 JFGE CO[C@H]1C[C@H](Br)CN(C(=O)c2c(Br)c(Br)nn2C)C1 2338684290 MFCDCYKOZYNYGT-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2339938898 OWGVPBBLWSMJID-VWLOTQADSA-N 484.361 2.963 50 10 JFGE Cc1ccc(SCC(=O)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 12673300 FZCAFPWSTIIFEO-UHFFFAOYSA-N 476.352 2.683 50 10 JFGE COc1ccc(CCC(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 254740250 QIOOVHPYIKUEDV-UHFFFAOYSA-N 476.497 2.655 50 10 JFGE O=C(NCC(=O)N1CCc2ccccc2C1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726715922 WLXKQDNQGCUWIN-UHFFFAOYSA-N 476.508 2.934 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)C1 1860771280 OYWCAOAWBJTGFK-BLWPOKMGSA-N 487.563 2.974 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771515 YXTFYXHIABNITP-STQMWFEESA-N 467.551 2.563 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@@H]12 1906325567 WKRLZABBRQINHL-VQIMIIECSA-N 455.374 2.642 50 10 JFGE O=C(c1csc(I)c1)N1CCN(CCOCCBr)CC1 1921066020 FORJYEMVXUMEDV-UHFFFAOYSA-N 473.174 2.522 50 10 JFGE CN([C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545536 SIMNFSJRVBQTRM-IIDMSEBBSA-N 461.353 2.588 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1cc(Cl)ccc1I)N1CCOCC1 2145632789 LQWSINIFMWQFGL-LLVKDONJSA-N 450.125 2.887 50 10 JFGE O=S(=O)(c1ccc(CBr)cc1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2153994698 OFVNLGINHNITOJ-WOJBJXKFSA-N 451.386 2.855 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189069988 ZDOQCIBQYVNGDQ-WOFXILAISA-N 454.077 2.912 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](C2CC(NS(=O)(=O)N3CCC(Br)CC3)C2)C1 2280211915 VBXYYARTWBIKBY-HLIUYOAVSA-N 466.442 2.716 50 10 JFGE Cc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 2313499055 FMFGBECQRHVXSQ-UHFFFAOYSA-N 465.316 2.949 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(CBr)CC[C@H]1C2 2314908442 PQRWARYNVUAMQP-XOBRGWDASA-N 469.401 2.888 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2364029403 PJIMBFIONHCFHH-BIIVOSGPSA-N 471.975 2.712 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 10040462 GNSFFZYDZMWOCN-ZHACJKMWSA-N 454.552 2.766 50 10 JFGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 217237716 BAQMTGRODGZPPV-ZCXUNETKSA-N 457.550 2.871 50 10 JFGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COC(c3ccccc3)c3ccccc3)cc2)CC1 728213079 DREIFPFWBGYELO-UHFFFAOYSA-N 494.617 2.872 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)CC1 1772746068 BGUVMLRUQVRURY-UHFFFAOYSA-N 488.386 2.994 50 10 JFGE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)C[C@H]1C[C@H](Br)C1 1910163830 GVOJKBJICZRGCW-RBSFLKMASA-N 462.362 2.733 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 1942099619 VOTBTPMYHYAHQA-GJZGRUSLSA-N 455.374 2.783 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CC1 1942800895 HXKYTDSHBRQJOR-AWEZNQCLSA-N 457.390 2.792 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@@H]21 2016017921 JSJMVHYUHAQYAZ-IKGGRYGDSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 2106989796 XTZLCRGZYHJPQK-WFASDCNBSA-N 497.333 2.898 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1CCN(Cc2ccccc2)C2(CCC2)C1 2179808402 HVJURJKWQUFYQI-UHFFFAOYSA-N 453.406 2.707 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 2179811080 IYMFNNQMWISRAB-IBGZPJMESA-N 453.406 2.900 50 10 JFGE OB(O)c1cc(Br)cnc1NCc1c(Br)cccc1Br 2240334546 YPMSFTWMHSDSFW-UHFFFAOYSA-N 464.748 2.661 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2257384133 WAFBLUZKMMCAJO-UHFFFAOYSA-N 480.276 2.900 50 10 JFGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2320865677 RVXJUAVDPMBLMZ-UHFFFAOYSA-N 484.239 2.862 50 10 JFGE COc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Cl 2324405663 IFMYYWXHEUGCEU-UHFFFAOYSA-N 460.943 2.701 50 10 JFGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc2c(O)cccc12 2324922985 ZRMLKHPHOGYDLN-UHFFFAOYSA-N 462.531 2.898 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 13997462 OXKHQHFERJPHRJ-UHFFFAOYSA-N 470.551 2.616 50 10 JFGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 58988606 FUJZELCFEQZEAG-SSDVNMTOSA-N 474.388 2.730 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2Br)c1N 101567121 IXMURCQBIOTSDP-UHFFFAOYSA-N 456.304 2.644 50 10 JFGE CC1=CC(=O)[C@H](Br)[C@H](Br)/C1=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1 103667602 PXSJQHDLGQQGTD-HPJJITKJSA-N 466.107 2.781 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(O)cc2)cc1OC 1084100413 TYXOVTMUYWYEAI-UHFFFAOYSA-N 497.573 2.793 50 10 JFGE Cn1nc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)c2ccccc2c1=O 1087652580 GYYIHIRFYNTFGD-UHFFFAOYSA-N 490.829 2.866 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2049527131 ZQXJTVONOAVJBP-DHFPXDALSA-N 475.380 2.886 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2167778845 SBUZEDWAHXZJEY-ODOQXGPZSA-N 450.114 2.702 50 10 JFGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cnn(CCBr)c2)C[C@@H](C)N1Cc1ccccc1 2179808441 IJOGOFSGXPETGA-IKGGRYGDSA-N 455.422 2.950 50 10 JFGE Cc1sc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2248400913 CMYARBLRESYCGU-OAHLLOKOSA-N 478.379 2.588 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1Br 2313624836 KPTHHPNWHWDEKN-UHFFFAOYSA-N 464.341 2.815 50 10 JFGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2329662395 LRQMTMVHZVOKMA-IBGZPJMESA-N 493.317 2.756 50 10 JFGE C[C@H](NS(=O)(=O)c1cc(NC(=O)CCl)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 34919904 IBXYUGHHJRBNON-HNNXBMFYSA-N 479.002 2.605 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccc(Cl)c4)c3N)CC2)cc1 40727835 CEWPFEGYRLNMDD-UHFFFAOYSA-N 453.934 2.804 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(O)cc2)cc1 58885492 QJTDYUJQYCICRR-KOEQRZSOSA-N 467.547 2.785 50 10 JFGE C/C(=N\Nc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 59880987 GYNYSJZILRWLPJ-JYQBEENSSA-N 480.392 2.831 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(C)c(Br)c2ccccc21 71939626 JMQUNVHOXGRAQG-UHFFFAOYSA-N 492.399 2.775 50 10 JFGE N[C@H](CSSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 196602988 IYIHYJPRXJXCRY-QZTJIDSGSA-N 462.549 2.772 50 10 JFGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1 1084542798 YVVCCSMWHWMZMV-UHFFFAOYSA-N 461.345 2.672 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)c2cccc(C)c2)nc2sc3c(c2c1=O)CCC3 1651629377 MKZWTFJWZIRXAV-UHFFFAOYSA-N 454.577 2.994 50 10 JFGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)[C@H]3CCCO3)cc2)cc1 1858992088 RUSMVGZUZNYTHR-LJQANCHMSA-N 474.564 2.608 50 10 JFGE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)NCCCBr)[nH]c12 1866531225 VVSLQDRSQFFYKA-UHFFFAOYSA-N 482.375 2.677 50 10 JFGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1914353165 NFFHYOAMBMOAIH-JTQLQIEISA-N 452.172 2.552 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1942096246 ACNDZJSYANJNIB-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CC[C@H](O)CNC(=O)OC(C)(C)C 1993341835 MBEGHHBBCZMUOR-AWEZNQCLSA-N 467.654 2.675 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)CN1C(=O)OC(C)(C)C 2106777354 RZOBJWBFECNCPG-CYBMUJFWSA-N 454.431 2.810 50 10 JFGE CC(C)(C)OC(=O)N1CC2(CCC2)C[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2162588093 BBOKUMQZGVCPDK-OAHLLOKOSA-N 466.442 2.860 50 10 JFGE COC(=O)[C@@H](Br)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2211448294 XXCXGGYNMRPWID-HNNXBMFYSA-N 494.427 2.713 50 10 JFGE CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N(CCBr)Cc2ccccc2)c1 380364031 GGEFXQZEPWFZAX-UHFFFAOYSA-N 450.351 2.815 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)CCSc3ccc(F)cc3)c2)CC1 1466191573 PHIMKQHNNDGFSS-UHFFFAOYSA-N 459.547 2.829 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)C1 1872960341 BXQXHYLRBJQDAW-PMACEKPBSA-N 457.534 2.970 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@@H]1CBr 2011265647 FPTHMFIMFGIYJS-CQSZACIVSA-N 455.374 2.664 50 10 JFGE CCC[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2025368871 UCCCPLJWEYMGIB-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCC1 2046035859 SREHDCFFMGWONY-LPHOPBHVSA-N 475.380 2.884 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cscn1 2055483329 ILWAMOMZSPGFGW-AWEZNQCLSA-N 486.413 2.821 50 10 JFGE C[C@H]1C[C@H](C)N(S(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2108186044 OHCMLCQQCVJKIQ-KBPBESRZSA-N 454.431 2.810 50 10 JFGE O=C(c1cc(I)ccc1O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2146695159 SPLXYNKCZWERRQ-XHVZSJERSA-N 452.086 2.764 50 10 JFGE CN1CCC(N(Cc2ccccc2)S(=O)(=O)c2cnn(CCCBr)c2)CC1 2179786783 GBDLAEXZUZUICK-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE C[C@]1(C2CC2)CN(S(=O)(=O)c2n[nH]cc2CBr)CCN1Cc1ccccc1 2179866217 DNSNXPGAYJNBLF-LJQANCHMSA-N 453.406 2.980 50 10 JFGE O=C(c1cccc(F)c1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189041453 BDMDFRWQEFDFDE-BZBKMWRSSA-N 454.077 2.912 50 10 JFGE CO[C@@H]1CN(C(=O)c2sccc2I)[C@@H](CBr)[C@H]1OC 2225083856 QQMWXPDPKFWNKK-IVZWLZJFSA-N 460.131 2.602 50 10 JFGE Cc1nc(I)c(I)n1-c1cc(CCl)cnn1 2245305007 HXTAAEJPUDGFJB-UHFFFAOYSA-N 460.444 2.919 50 10 JFGE CCN(C[C@](C)(CBr)O[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2270094612 JJXTUISOJPDZBI-PBHICJAKSA-N 457.431 2.838 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2339938897 OWGVPBBLWSMJID-RUZDIDTESA-N 484.361 2.963 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)C[C@@H]1CCCO1 2364214049 KMFRNJPYICBXPH-IRXDYDNUSA-N 456.992 2.939 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCCCl)C1CCOCC1 2381006033 PONPULKUSFVWCM-UHFFFAOYSA-N 456.992 2.893 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 9229801 IGVDMPMNPYAAND-VMPITWQZSA-N 462.915 2.979 50 10 JFGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)NCc1ccccc1 12501453 RXKZJVIYPUSDJR-UHFFFAOYSA-N 453.351 2.726 50 10 JFGE O=C(Cc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978750 YDPSOBRUOFJZOP-UHFFFAOYSA-N 456.749 2.746 50 10 JFGE O=C(NNC(=O)[C@@H]1Cc2ccccc2S1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14337080 DWADFTLZNFYHLM-NRFANRHFSA-N 456.527 2.923 50 10 JFGE Cc1c(C(=O)NNC(=O)c2cc(Br)cn2C)sc2nc3n(c(=O)c12)CCCCC3 16271171 FISFCHPNZPOXHB-UHFFFAOYSA-N 478.372 2.669 50 10 JFGE CCn1cc(C(=O)NNC(=O)c2cnc3ccc(Cl)cc3c2N)c(=O)c2cc(OC)ccc21 32605598 NTXGWHXTOGCNTF-UHFFFAOYSA-N 465.897 2.889 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(F)c(F)c1 59261923 WJPQXPRWTUDTPO-BHGWPJFGSA-N 468.493 2.778 50 10 JFGE CC(C)[C@H](C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)n1cnc2cc(F)c(F)cc21 109536586 IACHYSYPLWBESW-HXUWFJFHSA-N 454.437 2.864 50 10 JFGE COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1O 169920577 WDVXHFWUHUIPDU-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE C=C/C=C/CCNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1248370800 JGWJDVJEJBCQMF-AATRIKPKSA-N 456.568 2.892 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H]1CCCBr 2046030023 VNQGPQRSLITAIX-LIRRHRJNSA-N 475.380 2.980 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(C)c2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 2323627928 QAVAXRZQDATHBJ-UHFFFAOYSA-N 450.451 2.953 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)OC(C)(C)C1 2364228415 MJGBHQLOSXDMNG-SSDOTTSWSA-N 473.991 2.960 50 10 JFGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccccc1Cl 13976902 LUCUXVJRDRVVAJ-UHFFFAOYSA-N 469.350 2.813 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2nccnc2C2CCC2)cc1 1627137962 UEPMTAIFKFAZQB-LJQANCHMSA-N 457.556 2.633 50 10 JFGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1993397687 RBFITSOIAVRZAB-XJKSGUPXSA-N 492.379 2.832 50 10 JFGE C[C@H]1C[C@H](Br)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1997236393 IESDDMALMRXSQO-LSDHHAIUSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1(C)C 2106772049 CLHNTOFEBOBMDL-AWEZNQCLSA-N 454.431 2.716 50 10 JFGE COCCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CCOC 2324607127 GURJHIPOAVJTSO-UHFFFAOYSA-N 462.594 2.922 50 10 JFGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338843873 WOFYYROGTSYDIE-HZPDHXFCSA-N 487.416 2.657 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C[C@@]1(CBr)CC1(F)F 2379980930 APIMBRGYHQLBBB-IRXDYDNUSA-N 452.340 2.608 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CCl 2381133907 VBSAYMIEOOKJIR-SFHVURJKSA-N 454.976 2.503 50 10 JFGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 12572639 UQBJBDJXLWWIFE-UHFFFAOYSA-N 460.512 2.506 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)cc1 14662950 PNVZYRXIDGGCOO-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(F)cc(I)c2N)c1 1633773414 DOBCFBWGSQXJJV-UHFFFAOYSA-N 454.268 2.625 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770481 KDRMBWCKJSLKSN-KGLIPLIRSA-N 474.608 2.716 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1(C)CC1 1945360619 GQWRUOMBNJCEOI-HNNXBMFYSA-N 457.390 2.792 50 10 JFGE CC[C@H](Br)CN(CC)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532019 GQTXQTLLDWYHKO-SCLBCKFNSA-N 463.369 2.836 50 10 JFGE C[C@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2046801285 GNEPKBNQZGKIHB-PMACEKPBSA-N 469.401 2.890 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2106771789 BOBQDYJGRFMWTQ-KRWDZBQOSA-N 452.415 2.566 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(F)c(B(O)O)c1 2248901256 IPNQDDLJLDXSEH-UHFFFAOYSA-N 462.286 2.763 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cn1nc(C)cc1C 2295638671 MQKSBKRAPZMDFV-UHFFFAOYSA-N 465.535 2.750 50 10 JFGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296835022 NSAGGUGHVNFKTJ-HZPDHXFCSA-N 450.501 2.860 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@]1(C)CBr 2338683484 CFVCPBPWXJVRNN-NSHDSACASA-N 459.964 2.571 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)cc2)cc1I 12500801 PHMQZBISHPVVPD-UHFFFAOYSA-N 469.304 2.558 50 10 JFGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14012708 RJHXQOQSEMDLDS-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2C)cc1Br 14661426 NYOCSXJKYYCFGY-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1 14662553 BKYCUSGWRKYUAN-UHFFFAOYSA-N 464.316 2.654 50 10 JFGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20919372 KPPFYUKITSJFNK-UHFFFAOYSA-N 494.625 2.531 50 10 JFGE COc1ccccc1C=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 254702908 IEZBIONQLBEZKP-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C)(CBr)C1 703958455 RDJWLUQQYITBNF-IBGZPJMESA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CCCC[C@H]1CBr 703972450 DEWSLQKAUUDELI-LSDHHAIUSA-N 457.390 2.793 50 10 JFGE COc1cccc(Cc2cnc(NC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)s2)c1 728938688 MNLJKCIEBXOZCQ-UHFFFAOYSA-N 467.555 2.602 50 10 JFGE C#CCCCC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1156702164 SRBJLJMNPILFEB-UHFFFAOYSA-N 453.314 2.581 50 10 JFGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3nc(Br)cn4ccnc34)n[nH]2)c1C 1610991952 JBNPFTLLWAZFMR-UHFFFAOYSA-N 456.308 2.638 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)CC1 1772744172 AOGJTWCYNSUMOV-UHFFFAOYSA-N 453.499 2.744 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C 1910962305 BZWRGYJEXHNNGH-GJZGRUSLSA-N 479.665 2.769 50 10 JFGE C[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 1942097828 JWXDIECDOQMZJE-AWEZNQCLSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(S(=O)(=O)CI)C1 1983331756 YRUKKTVBVROWLT-SNVBAGLBSA-N 468.304 2.675 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053993990 KVCRXSHCQQPPJQ-KEYYUXOJSA-N 469.401 2.601 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2106775209 VKKLMWJQZVMXFL-ZFWWWQNUSA-N 454.431 2.668 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](CBr)C2 2128153149 CQUZGMSTLCBETF-GXNBUGAJSA-N 487.391 2.979 50 10 JFGE O=S(=O)(N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1)N1CCCC[C@@H]1CBr 2179813965 ZVSFCOAQUCHKMO-VAMGGRTRSA-N 456.450 2.935 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2256618977 UOXXKUQLEHNAQT-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE Cc1sc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2284057981 GTPWNPICBJBHJD-LJQANCHMSA-N 490.431 2.503 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2289348375 PWESUFJEVKMBJD-TXPKVOOTSA-N 499.427 2.657 50 10 JFGE CC(C)(CI)CN(CC(N)=O)C1CCN(C(=O)OC(C)(C)C)CC1 2306809173 HFHCSXCPBZFOQT-UHFFFAOYSA-N 453.365 2.634 50 10 JFGE O=C(NCCS(=O)(=O)CCBr)c1cc(Br)cc(Br)c1 2335758348 VUSFFPOJHLAXTD-UHFFFAOYSA-N 478.000 2.751 50 10 JFGE O=S(=O)(Cc1ncsc1Br)NCC(F)(F)C(F)(F)CBr 2361674446 LSRIXXNLCRSHIU-UHFFFAOYSA-N 464.098 2.991 50 10 JFGE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736362 MQBIJHQIUZJMSO-UPTIQUDWSA-N 486.619 2.651 50 10 JFGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 33858398 VOWUAIBDLOYXKA-XLXASQRYSA-N 492.557 2.622 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4Cl)c3N)CC2)cc1 40727829 GEQIRMHGRFEGDO-UHFFFAOYSA-N 453.934 2.804 50 10 JFGE CCN1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)CC1 40813032 XRPNTCULMHGWAE-HKOYGPOVSA-N 453.499 2.744 50 10 JFGE O=C1NC(=O)[C@@H](c2cc(Br)ccc2I)[C@@H]1Br 300918898 WUDFQDMNRPOKPW-YUMQZZPRSA-N 458.875 2.557 50 10 JFGE CC#CCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1446924593 KQAOZUQTKYKJMG-LFIBNONCSA-N 454.328 2.625 50 10 JFGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCCCN4CCOCC4)c(C)c32)cc1 1772744853 LMQGROZSOITQBX-UHFFFAOYSA-N 452.555 2.819 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)N1CCC(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1 1873776366 IHHOXKRTZGYLLI-GCSONIOPSA-N 456.546 2.640 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1(C)C 1885845230 DBPKDCSYDOFHHE-OCCSQVGLSA-N 454.431 2.620 50 10 JFGE Cc1c(CN)cc(B(O)O)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521095 PMXPLRBAALVUAO-UHFFFAOYSA-N 485.393 2.513 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1892523558 MPRBEVRRAQYMIA-SFHVURJKSA-N 464.971 2.806 50 10 JFGE CC(C)(C)OC(=O)N1CC(O)(CN(CCOCCI)Cc2ccccc2)C1 1893369517 DPULXGSBUBCVFM-UHFFFAOYSA-N 490.382 2.922 50 10 JFGE CN(C)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1Br 2089924286 UQKLAAKFSZQBFA-XPUUQOCRSA-N 452.621 2.862 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNS(=O)(=O)N1CCC(Br)CC1 2106296424 RNPVBFCDJLLIKV-OAHLLOKOSA-N 454.431 2.860 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CCl)C1 2239163347 UNOUYZFAJMGLSP-GHTZIAJQSA-N 454.976 2.503 50 10 JFGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314737959 DHUWJKOVTWGFNF-UHFFFAOYSA-N 461.474 2.849 50 10 JFGE Nc1nnc(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)s1 58990181 DIAQBQKDQPWOQH-CRKCGEKBSA-N 467.168 2.593 50 10 JFGE COc1cc([N+](=O)[O-])c(/C=N\NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1O 169920642 LDELZGIXPZDFRP-KSEXSDGBSA-N 456.842 2.936 50 10 JFGE CCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1772760246 IFXCGVCNQGBELQ-ZDUSSCGKSA-N 455.540 2.535 50 10 JFGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(S)cc(B(O)O)c2)CC1 1887515974 ULUPONBMRVOHOO-UHFFFAOYSA-N 474.391 2.722 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(I)cc1Br 2231677715 IKEWTSOFEMWRGZ-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2256624112 UOXXKUQLEHNAQT-VOIUYBSRSA-N 473.338 2.653 50 10 JFGE C[C@H]1COCCN1CCO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2257736784 SFNGTUAYIFPERP-MAUKXSAKSA-N 468.376 2.928 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2364213585 HSKIMJGTBQAXRS-SNRMKQJTSA-N 499.427 2.800 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 13976198 KSDBYTBJBNEHKN-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1Br 13977240 BOOTWIWNKJIJBV-RUDMXATFSA-N 452.305 2.946 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cc3ccccc3cc2O)cc1OC 13977305 PVRNKJYASHOAFX-CSKARUKUSA-N 451.504 2.912 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 13978818 RVQHFKBJNONKIE-NSHDSACASA-N 472.350 2.870 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 13985383 NSZYDVOXDVQDIN-UHFFFAOYSA-N 463.357 2.993 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)c1 14042197 NWWJQDYCCGURNL-UHFFFAOYSA-N 499.330 2.648 50 10 JFGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1 252589618 ALASROJXXDTJOW-UHFFFAOYSA-N 478.530 2.943 50 10 JFGE CCC[C@@H](NC(=O)NNC(=O)c1cccc2cccnc12)C(=O)N1CCc2sccc2C1 727229420 NRSRUFYQJYOPBE-GOSISDBHSA-N 451.552 2.994 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cccc(COc3ccccc3)c2)cc1 918130792 BOOLGKFFGBRWEB-UHFFFAOYSA-N 496.589 2.725 50 10 JFGE C#CCc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887514566 URSLFNHAHKQRKL-UHFFFAOYSA-N 466.346 2.613 50 10 JFGE C[C@@H](CCCCCI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1962272573 IRXJUYKBUGKWLR-ZDUSSCGKSA-N 478.352 2.586 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 2108227036 CQUZGMSTLCBETF-AVYPCKFXSA-N 487.391 2.979 50 10 JFGE CC(C)[C@@H]1[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2126337243 RIFIHFPEZOOMQF-HUUCEWRRSA-N 454.431 2.714 50 10 JFGE CC[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2163052094 ZNMAYYIKSZQDID-FVQBIDKESA-N 466.442 2.668 50 10 JFGE Cc1ccc(C)c(S(=O)(=O)N=C2C=C(NNC(=O)c3cccnc3)C(=O)c3ccccc32)c1 2296463558 XFXOSRGFEDYKMK-UHFFFAOYSA-N 460.515 2.891 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2300198588 TXPQFXKIMXPXNS-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)c(OC)c1 2314774107 SXDUYXDFZLKRHE-UHFFFAOYSA-N 478.457 2.699 50 10 JFGE O=C(NC1(C(=O)Nc2ccc(B(O)O)c(F)c2F)CC1)OCC1c2ccccc2-c2ccccc21 2319285209 UZHOCUFMEHVKHZ-UHFFFAOYSA-N 478.260 2.654 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)OCC12CC2 2364229748 DDKVISBWHLTDPR-SSDOTTSWSA-N 471.975 2.714 50 10 JFGE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 15093007 CMNQKGZPNLDDCD-MRXNPFEDSA-N 454.552 2.816 50 10 JFGE CCOc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1 40880446 FLNKPJBFYXODBI-QGOAFFKASA-N 454.479 2.748 50 10 JFGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1 1567901240 RULDGNVUEKIXGA-UHFFFAOYSA-N 455.290 2.579 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747805 PNDCYWZVJDQMRP-UHFFFAOYSA-N 479.449 2.563 50 10 JFGE NS(=O)(=O)c1ccc(CCNC(=O)[C@H](Br)Cc2ccccc2Br)cc1 1858181217 IWXTUDQRDOAKNP-MRXNPFEDSA-N 490.217 2.761 50 10 JFGE N#CSc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)cc1 1858625450 ILKUSXHGVIONAH-UHFFFAOYSA-N 459.509 2.645 50 10 JFGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860772220 VJJILOOCECUFGL-OLZOCXBDSA-N 470.551 2.622 50 10 JFGE CC[C@@]1(NC(=O)OC(C)(C)C)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106777522 UNMCMGWSQHRJGK-QGZVFWFLSA-N 454.431 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)N1CCC(Br)CC1 2163050494 KGVBPMZWIIJUEO-JKSUJKDBSA-N 466.442 2.954 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204524734 IDBBEZVLIOWJDL-DLBZAZTESA-N 455.374 2.839 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(F)c(F)c1B(O)O 2248887185 QUHPDLUHUYGGDU-UHFFFAOYSA-N 466.249 2.512 50 10 JFGE CN(Cc1sccc1B(O)O)C(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2248898431 BKDJBVLGRXEBRH-UHFFFAOYSA-N 478.379 2.705 50 10 JFGE CO[C@@]1(CBr)CCCN(C(=O)c2c(Br)c(Br)nn2C)C1 2364229907 FSTBAJHPFVWWJM-GFCCVEGCSA-N 473.991 2.961 50 10 JFGE NNC(=O)c1ncc(COCc2ccc(I)c(Br)c2)s1 2377637748 GMFYWRFCWAMUEQ-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OC 14655773 DUZMTSOEEBTYEN-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 20074935 BGTXXLQSIGDUHY-ZSIROCOFSA-N 474.429 2.950 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 746184526 FNGWXWPIUXHCTR-UHFFFAOYSA-N 462.480 2.572 50 10 JFGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc(Cl)cc(Br)c1O 1084223459 XYZZTJKLRDLDHE-UHFFFAOYSA-N 490.705 2.940 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)Cc4ccccc4F)c(=O)c23)cc1 1860770337 DOYWUOMOQSXOCG-UHFFFAOYSA-N 450.495 2.963 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2cc1OC 1873499345 QODOJWMSYKCKNE-DKZNWEEVSA-N 474.514 2.981 50 10 JFGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccccc2I)C1 1873777247 DALBOEBHXRKFAF-ZDUSSCGKSA-N 450.280 2.682 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018108874 SKAJANSFGMZAPZ-BBRMVZONSA-N 457.390 2.886 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@@H]21 2199762681 OVSKPVHJHSGGLF-AYOQOUSVSA-N 454.976 2.501 50 10 JFGE OB(O)c1cc(Br)cnc1NCc1scc(Br)c1Br 2231671312 YKYQTWRNYZFCCU-UHFFFAOYSA-N 470.777 2.723 50 10 JFGE CC(C)[C@H](CBr)N(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2302570174 UXVBVBFBAGZSEB-MAUKXSAKSA-N 463.369 2.692 50 10 JFGE C[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H](CBr)O1 2338860232 JXLHFHFPVKMDSF-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE C[C@@H](Br)[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCO1 2338863409 JVHJVXUAUAQJGP-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Cl)[C@@H]1C(F)(F)F 2370238576 OYWWVLAZUCVKHC-CPUCHLNUSA-N 470.872 2.975 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br 12570511 UROAXLZEAKVJIR-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC[C@H]1CCCO1 96652908 GBCNIANWKMPPRB-HMWXGYMHSA-N 495.026 2.828 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)c1 1617590099 RWFSAZWCCALNFQ-UHFFFAOYSA-N 450.314 2.713 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1865852277 QZZISPIZLSZFKP-FMIVXFBMSA-N 460.515 2.994 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 1993307471 ZIMZZNDUFMDQHR-CYBMUJFWSA-N 467.654 2.673 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCC2)C1 2046459453 DTVRZYJNPZQKIC-QAPCUYQASA-N 473.364 2.590 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)NC2CC(Br)C2)c(Br)c1 2063143586 FKADLSXIEYCLQN-UHFFFAOYSA-N 462.989 2.998 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(CCC[C@H]2Br)C1 2108245415 TZGRKUJWSYWQEB-LSTHTHJFSA-N 487.391 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2108246619 XNAYIRFHVSRDGW-ICSRJNTNSA-N 487.391 2.886 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812978 TYCZSFKTQQSOTC-NLRVBDNBSA-N 464.482 2.983 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597542 ILUILLPFRYUCBQ-LGUFXXKBSA-N 489.488 2.970 50 10 JFGE COc1ccc(/C=C\C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254500196 CTVHGKRAJJDRBH-LHSOJCSLSA-N 482.540 2.934 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1nc2ccccc2s1 254821341 XVRHIIASBDKPDF-UHFFFAOYSA-N 477.535 2.898 50 10 JFGE O=C(NN=Cc1cccc(O)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083992537 RQYXNEOYMMVQCW-UHFFFAOYSA-N 466.357 2.706 50 10 JFGE C=CCn1c(SCC(=O)NNC(=O)Cc2ccccc2C)nnc1-c1cccc(OC)c1 1188899057 DAPJVNFFHFWMIE-UHFFFAOYSA-N 451.552 2.930 50 10 JFGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)COc2ccccc2-c2ccccc2)C1 1229620167 KKNBVJCBWPPPOX-KSEOMHKRSA-N 450.539 2.710 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(CBr)cc2)CC1 1260510822 SJHOJENJMJBOTA-UHFFFAOYSA-N 463.394 2.622 50 10 JFGE C[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1866621874 DQBARGLIWOOLQR-HNNXBMFYSA-N 458.565 2.947 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@H]2COC[C@@H](C1)C2Br 2167771468 ZDOQCIBQYVNGDQ-PHXKMMTBSA-N 454.077 2.912 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2179775559 MGYUEXIADWWASY-HDICACEKSA-N 453.406 2.706 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)cc1B(O)O 2248890006 ATIQUDDXIRMVRZ-UHFFFAOYSA-N 462.286 2.761 50 10 JFGE O=C(NCCC(=O)N1CCCc2cc(B(O)O)ccc21)OCC1c2ccccc2-c2ccccc21 2257365497 RVQAYNKAVMXDOO-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE CC1CC(CBr)(CN2CCS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 2265312576 VXWPMWJSGLKSMZ-UHFFFAOYSA-N 451.427 2.518 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC[C@H]1COC[C@H]1Br 2338844025 XQIAVIADQORPTF-MAUKXSAKSA-N 487.416 2.562 50 10 JFGE COc1ccc(CC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 12584386 SMGCJFSHXYKNDP-UHFFFAOYSA-N 472.133 2.989 50 10 JFGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629907 JPBYXXUVIVFKNN-HNNXBMFYSA-N 478.343 2.887 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCBr)CC1 703994034 OLBOAKJRSXRPEK-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE COc1cc(C(=O)NNC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC 807102461 HPIACEUTWHVWKP-UHFFFAOYSA-N 485.537 2.940 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)nc2c1 1860770229 YNTNLIYEHCWCAZ-UHFFFAOYSA-N 458.503 2.542 50 10 JFGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2S(=O)(=O)CI 1884479991 RCNSYIBNHGUGJG-UHFFFAOYSA-N 464.325 2.586 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H]1CCBr 2046029278 PJSNFXHDGOLXKM-NRXGSXMXSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]12CCC[C@@]1(CBr)C2 2142940929 RJJFOJCIWZXXEP-UFYCRDLUSA-N 487.391 2.886 50 10 JFGE CCN(C[C@](C)(CI)OCCCS(C)(=O)=O)C(=O)OC(C)(C)C 2246095499 GNSLTKYQGDXKGW-HNNXBMFYSA-N 463.378 2.888 50 10 JFGE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)N(C)C(=O)C(C#N)=C1C 2297100533 CGUHDTOPOBVTME-UHFFFAOYSA-N 466.519 2.939 50 10 JFGE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCCI 2303500091 XNYFLDNYBUUCMT-AWEZNQCLSA-N 453.365 2.649 50 10 JFGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc([N+](=O)[O-])c1O 2325903664 PNZFRZZMEAGAPC-UHFFFAOYSA-N 479.474 2.898 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@]2(C[C@@H](Cl)CO2)C1 2364190486 NIBVVYHGADIDRM-IIBYNOLFSA-N 454.976 2.645 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471899 VFJWUWGEGKBOSU-UHFFFAOYSA-N 473.551 2.755 50 10 JFGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(-c2cccnc2)n1N 58990346 FIYKVFBWDMXQAZ-FSJBWODESA-N 490.387 2.848 50 10 JFGE O=C(CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1)NNC(=O)Cc1ccc(Cl)cc1 100116354 RTUDUCAKCLAHIC-UHFFFAOYSA-N 479.364 2.634 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H]1Br 707409266 IUAJDFRFTFNSEP-XJKSGUPXSA-N 457.390 2.792 50 10 JFGE COCCCN1CCC(NC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 727031655 VTZNRDFNEWMTMZ-UHFFFAOYSA-N 458.534 2.850 50 10 JFGE CN(C)c1ccc(NC(=S)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 729689016 MXNKTCLGUGHNLL-UHFFFAOYSA-N 490.383 2.519 50 10 JFGE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 1084350459 XQGAIZKDIBFTIM-UHFFFAOYSA-N 489.993 2.852 50 10 JFGE CC(=O)N1CCc2cc(C(=O)NNc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc21 1472524547 YZMADHKDKCNZSV-UHFFFAOYSA-N 457.537 2.610 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCCC1 2046035860 SREHDCFFMGWONY-QFBILLFUSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CNS(=O)(=O)N3CCC(Br)CC3)CCC[C@H]12 2162587365 SDULKADNQXJQBN-YJBOKZPZSA-N 466.442 2.860 50 10 JFGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1cccc(F)c1I 2178902470 GPMRSRLNFWDDJK-UWVGGRQHSA-N 455.109 2.970 50 10 JFGE C[C@@H]1C[C@H](Br)[C@@H](C)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2220340352 KKJHSQBPBGOYBP-QXMSGVSCSA-N 475.380 2.834 50 10 JFGE COc1cc(OC)cc(C(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314793405 RGBOUIZHRSQIPO-UHFFFAOYSA-N 452.463 2.697 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Br 2315422955 XKYVWSLSWUDBTN-YGOSVGOTSA-N 473.364 2.588 50 10 JFGE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 8384908 VNYHEISWWJMHCX-CPNJWEJPSA-N 466.519 2.939 50 10 JFGE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3)C2=O)cc1OC 33373171 SAWQPJMAZCXITG-QGOAFFKASA-N 471.560 2.756 50 10 JFGE COc1ccc(NCC(=O)NN=Cc2ccc(C=NNC(=O)CNc3ccc(OC)cc3)cc2)cc1 254556905 WNLYFUITLPNFCL-UHFFFAOYSA-N 488.548 2.828 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 916761447 JMNIXRFQINVDGN-OCBOALCKSA-N 455.536 2.899 50 10 JFGE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866609603 YLNPUUHRCSUQBY-OAHLLOKOSA-N 479.562 2.564 50 10 JFGE O=C(N[C@H]1COC[C@H]1Br)c1ccc(Br)cc1I 2026221537 MMGQSQNLPIEZJE-SCZZXKLOSA-N 474.918 2.946 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NNC(=O)COc2ccccc2Cl)cc1 2040429591 FDDNRZDKBFPHSE-UHFFFAOYSA-N 465.959 2.610 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2084888210 HBDFVTHZRIQHPY-HUUCEWRRSA-N 471.417 2.992 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2ccc(F)cc2I)CC1 2170215849 KFJZKIOCOCUCJK-JTQLQIEISA-N 455.109 2.972 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@@H](CI)c2ccccc2Br)C1 2285603648 UGXRZRXFCZOEDS-GWCFXTLKSA-N 474.158 2.976 50 10 JFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 2297635223 PNACLVHDBJSGAW-UHFFFAOYSA-N 485.591 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2364190763 QJWYBTSAHDLFTN-MSOLQXFVSA-N 499.427 2.847 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)c3cccnc3Cl)c(=O)c2c1-c1ccccc1 1860769811 INSXXNOYRBPBOA-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCCN1CCOCC1 1865686898 DPROHUZQEGLHOD-HSZRJFAPSA-N 467.570 2.785 50 10 JFGE Cc1cccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852022 NIKVVPHVLYNXBR-INIZCTEOSA-N 468.579 2.898 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C1CC1 1942791251 CEOZOUSHAUDRII-IBGZPJMESA-N 457.390 2.792 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@H]1CBr 2046028981 MMDMLGUEHMOWEX-LIRRHRJNSA-N 475.380 2.980 50 10 JFGE CC1(C)[C@H](Br)/C(=C\Br)c2cccc3c2N1C(=O)/C3=N\NC(N)=S 2087930008 XWWSFQMTUPZIHF-NJWUAHQRSA-N 458.179 2.862 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@H](CBr)C(C)(C)C 2127127947 XPUAQTZIAFDLQG-CQSZACIVSA-N 453.443 2.764 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)ccc2B(O)O)C1 2281598759 PDTKYTOLUMZYMY-UHFFFAOYSA-N 478.276 2.647 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)C(F)(F)C1 2316827094 NPDDLIFKNPMPOO-OAHLLOKOSA-N 479.343 2.887 50 10 JFGE COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)ccc1C 59372544 PYRXZZKIELZIJI-QNBNLKTOSA-N 469.501 2.862 50 10 JFGE COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 1088730356 UVSYGCBDVPTYMG-UHFFFAOYSA-N 495.457 2.733 50 10 JFGE C[C@H](C(=O)NNS(=O)(=O)c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3 1860770429 HQDRIJBVSIHIHY-LLVKDONJSA-N 466.972 2.561 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)c(C)nc2c1 1860771467 XQSLNVXDPAIWKS-UHFFFAOYSA-N 472.530 2.851 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c2c1-c1ccccc1 1865852496 ZBCYGNKLAXGIJZ-UHFFFAOYSA-N 499.593 2.886 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2056573079 VCLVGWGGSODLRU-RTBURBONSA-N 473.364 2.592 50 10 JFGE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2182451478 TXBPGVXOUPZFBI-IAGOWNOFSA-N 470.405 2.562 50 10 JFGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2268649093 AMLIJVQCQBZTHX-WXTAPIANSA-N 486.377 2.936 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCC(=O)O 58890223 FHJQRHPLPYGNNV-OLIBUNOHSA-N 465.300 2.885 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3Cl)cc2C1=O 728833220 VASUATZEKIRTLI-UHFFFAOYSA-N 462.687 2.959 50 10 JFGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1251539919 ZROIXYZRLVMQJL-UHFFFAOYSA-N 460.538 2.597 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)c1 1594437963 VVOYGBUHCYDOBG-IBGZPJMESA-N 454.577 2.600 50 10 JFGE Cc1ccn2c(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c(C)nc2c1 1860771249 OGLXMFDGSUNDHP-SWLSCSKDSA-N 478.578 2.870 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@]2(CNS(=O)(=O)CI)CCC[C@H]12 1983326994 HPKAUDLJNQPBOH-SWLSCSKDSA-N 458.362 2.868 50 10 JFGE C[C@@H](CCl)CS(=O)(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1994784770 ZCSUKKHOSBYDGQ-AWEZNQCLSA-N 472.048 2.979 50 10 JFGE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106778736 GRIRHZPKQUOZMF-ZIAGYGMSSA-N 454.431 2.716 50 10 JFGE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cnn(CCCBr)c2)CN1Cc1ccccc1 2179792222 CXJRDSSYUXWENA-WMZOPIPTSA-N 455.422 2.952 50 10 JFGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1S(=O)(=O)c1cnn(CCBr)c1 2179811497 IQAJBENUEIINSH-SJORKVTESA-N 455.422 2.809 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189044804 SBUZEDWAHXZJEY-JJLQDPRZSA-N 450.114 2.702 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)cc2B(O)O)C1 2284015013 ICTBKJZYMMWZNG-XMMPIXPASA-N 488.777 2.802 50 10 JFGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(O)c(I)c1 2313567314 IUKCTWSHGYVFDH-UHFFFAOYSA-N 468.032 2.597 50 10 JFGE CCn1c(NNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)nc2ccccc2c1=O 11155744 SFTPWUSDWUAIFG-CYBMUJFWSA-N 485.928 2.583 50 10 JFGE Cc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1 22716350 JQMTYVHKDOPVCH-WIYYLYMNSA-N 479.606 2.665 50 10 JFGE COc1cc(CNNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c([N+](=O)[O-])cc1OC 27497268 NTGQYALRDCMFCB-UHFFFAOYSA-N 462.462 2.901 50 10 JFGE N[C@@H](CSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 196602958 IYIHYJPRXJXCRY-ROUUACIJSA-N 462.549 2.772 50 10 JFGE CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254450957 XYRHKCARCXKVAA-UHFFFAOYSA-N 491.537 2.556 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 254498549 ZEABPTHJSFAGNF-UHFFFAOYSA-N 491.500 2.812 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCBr 703992135 ZDIFBUUGNJMFPR-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE O=C(NCC(=O)N1CCc2ccccc21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726281396 PVULSSVYZWFCKE-UHFFFAOYSA-N 462.481 2.938 50 10 JFGE C=CCNC(=S)NNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F 1540371432 FAXRYDLCUBRSRY-UHFFFAOYSA-N 454.812 2.870 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC2)C[C@@H]1CBr 2046019040 LWCIFPBPGNVOOA-ACJLOTCBSA-N 473.364 2.590 50 10 JFGE Cn1cc(Br)c(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)n1 2143632216 ACFSKJXZHQLWGK-VIFPVBQESA-N 493.059 2.936 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2257347038 WCDDKYGEYBCIOC-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338851016 WOFYYROGTSYDIE-HOTGVXAUSA-N 487.416 2.657 50 10 JFGE O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 1044939 NYJBGKAPFWGTRP-UHFFFAOYSA-N 495.270 2.675 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 13976609 AZTBAXQHGFXDMH-DHZHZOJOSA-N 460.943 2.803 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 40657747 AYGKDAIMSVAZCY-UHFFFAOYSA-N 491.508 2.501 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619409 AORFVFIFHDXNIF-YZSQISJMSA-N 464.453 2.978 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4CN3Cc3ccccc3)cc2C1=O 747787950 ZKTQMRBHNYZHCP-VWLOTQADSA-N 494.551 2.857 50 10 JFGE Nn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Br 1084036582 CEHIYMIVVSCNHX-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 1321415523 RDLSCTDTJVPKTF-QGZVFWFLSA-N 475.299 2.732 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772750313 ZUWZMEZBYFHUDE-UHFFFAOYSA-N 474.517 2.827 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867057147 KWIPTKORAZJPGM-SFHVURJKSA-N 453.549 2.827 50 10 JFGE CN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545534 SIMNFSJRVBQTRM-DAYGRLMNSA-N 461.353 2.588 50 10 JFGE O=S(=O)(C[C@@H](Br)c1cc(I)sn1)N1CCCC1 2007642334 AHIVBYJFJQUPGS-SSDOTTSWSA-N 451.149 2.609 50 10 JFGE Nc1cc(Br)c(S(=O)(=O)NC[C@H]2C[C@@H]2Br)c(Br)c1 2076166043 VSKOCGDIPPACAQ-VDTYLAMSSA-N 462.989 2.856 50 10 JFGE C[C@H](NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106776849 MILCBIZGBZJOQT-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2162603602 YOQGNQISOMOKER-RBVVOMGSSA-N 466.442 2.858 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178088664 YVTCPVNCIIYAKM-OBJOEFQTSA-N 450.114 2.702 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CCCCCI)C2 2220219045 WVTHCBZIZAXAAD-GOSISDBHSA-N 468.376 2.930 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@H]2CCCC[C@@H]21 2246603196 PJMXECRMALQASR-CPUCHLNUSA-N 455.374 2.640 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)c2)C1 2284014820 FNSCAQKZUBPPKI-DEOSSOPVSA-N 488.777 2.802 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 2316824465 MFHRLLGIQSEGRF-QRWLVFNGSA-N 469.401 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2364190764 QJWYBTSAHDLFTN-QZTJIDSGSA-N 499.427 2.847 50 10 JFGE NNC(=O)[C@H]1CC[C@@H](COCc2cc(I)ccc2Br)C1 2367269413 UJVSILVKEQQWRR-ZJUUUORDSA-N 453.118 2.977 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(O)cc2)cc1 58885518 XUAUFYQNBVLBKO-YZSQISJMSA-N 494.573 2.734 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606577 MZNVQRSUYLYDHJ-OEAKJJBVSA-N 465.422 2.634 50 10 JFGE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NN=Cc3ccc(OC)cc3OC)CC2)c1 1084038995 VDJPWXMHIDLXCW-UHFFFAOYSA-N 455.511 2.724 50 10 JFGE O=C(CSc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084039013 WSVTXNKSJJUVHG-UHFFFAOYSA-N 484.537 2.942 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1 1623806559 NRPZUZIGFMILON-GFCCVEGCSA-N 453.904 2.566 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](CCBr)C1 1942091472 SLLOONLGVYLUBN-OAHLLOKOSA-N 457.390 2.890 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 2046030997 CAQGEWSJXMBZLG-WFASDCNBSA-N 489.285 2.646 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2113853377 DWVSGLNNOYMXHU-OAHLLOKOSA-N 487.416 2.515 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)Cc1ccccc1 2164503777 WVNPXJFPJBQAED-HRAATJIYSA-N 452.935 2.780 50 10 JFGE CC(C)[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2304308270 YVEOYLIRSLMJLY-PBHICJAKSA-N 457.390 2.886 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 2329702169 NJANWAMXWUVSSE-UHFFFAOYSA-N 491.953 2.924 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc3c(c2)OCO3)cc1 15979475 XQBSWFUJMBYLPQ-UHFFFAOYSA-N 495.557 2.808 50 10 JFGE aggregator CN1C(=C(C#N)C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)c2ccccc21 16276991 DRXIENWVUZLHOM-UHFFFAOYSA-N 494.573 2.521 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)Nc1cc(Cl)c(OC)cc1OC 1138928053 DHNUMUSYSCXABW-ZDUSSCGKSA-N 454.911 2.817 50 10 JFGE COc1cc(NS(=O)(=O)c2cc(C(=O)N3CC=C(C#N)CC3)ccc2OC)cc(OC)c1 1446270996 DDSUXNTTWYZCSO-UHFFFAOYSA-N 457.508 2.809 50 10 JFGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cc1 1562639432 CEVLFSWWVHXEDY-INIZCTEOSA-N 452.511 2.958 50 10 JFGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(OC)c(Br)c1 1615356648 AAAQRZCQXSZKHA-CQSZACIVSA-N 454.321 2.525 50 10 JFGE Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748354 WLGHOWWAJREVRO-UHFFFAOYSA-N 461.316 2.688 50 10 JFGE Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749902 RGSDJJATVTUHCZ-UHFFFAOYSA-N 474.517 2.827 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2O)CCC3)cc1 1772751719 KVESNAACTCGRCZ-UHFFFAOYSA-N 476.489 2.847 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2000613760 OEYXVWXRQSXYBI-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(Br)c(I)c1 2231669648 YKFHGMHCHVNGEZ-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE CN(CCN(Cc1ccccc1)C(=O)c1cc(B(O)O)c(F)cc1Cl)Cc1ccccc1 2258092818 SURYSSAMVVQRMZ-UHFFFAOYSA-N 454.738 2.933 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)c1F 2301665910 ZWXPRFSXUFKUOC-NRFANRHFSA-N 462.286 2.761 50 10 JFGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc1 2323157410 FPIAIADGSZYUAN-OAHLLOKOSA-N 452.540 2.940 50 10 JFGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502233 OPQOCNJATPNEJR-UHFFFAOYSA-N 488.265 2.524 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623627 NIXVVWZKRCSRTL-ARKBFRDHSA-N 472.570 2.924 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039503 GCJUBPBUSPOKIM-UHFFFAOYSA-N 451.435 2.893 50 10 JFGE Nc1c(OCCOCCI)cc(O)c2c1C(=O)c1ccccc1C2=O 206301432 SRQQTQINVNSTBW-UHFFFAOYSA-N 453.232 2.580 50 10 JFGE COC(=O)N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216511564 UMAMARLIGORWJJ-FLFQWRMESA-N 473.577 2.712 50 10 JFGE Cc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 252609989 HXCRTYJDMDAHBH-QFIPXVFZSA-N 484.472 2.761 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(O)c(OC)c2)sc2c1CCCCC2 254763165 KKRDNDJGKVVXPH-UHFFFAOYSA-N 459.524 2.997 50 10 JFGE C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=NNC(=O)Cc1ccccc1 1772718844 RDDUYFHASPJXFQ-GKJKXNJGSA-N 451.504 2.882 50 10 JFGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)C1CC(Br)C1 1883528742 AYFUPSUXZQGTJZ-UHFFFAOYSA-N 450.374 2.694 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2089707367 NBKXWLCJZFDGTG-HNNXBMFYSA-N 487.416 2.657 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179866825 NAOYMLOUPROJTG-WMZOPIPTSA-N 453.406 2.837 50 10 JFGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCC(N)=O)c1 2297635192 AZFKJCPKWUFCMM-UHFFFAOYSA-N 472.548 2.567 50 10 JFGE CCOCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 10286288 YBFUTYTYHNOYEI-UHFFFAOYSA-N 480.384 2.743 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc21 15092984 NEZLEYAPGQECNT-UHFFFAOYSA-N 460.943 2.691 50 10 JFGE O=C(NNC(=S)Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 16108075 AIRBCAHBCWVAHW-UHFFFAOYSA-N 497.440 2.868 50 10 JFGE CCN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 216500410 QNZJYZGPPLGILB-TWBFQXCBSA-N 492.645 2.837 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(CBr)C2 719143420 NHBVKPWCRMUCNL-GJZGRUSLSA-N 455.374 2.640 50 10 JFGE COc1cc(C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc(OC)c1OC 1084211514 FTHRKHATUVONMS-UHFFFAOYSA-N 466.538 2.679 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](NS(=O)(=O)N3CCC(Br)CC3)C(C)(C)[C@H]21 2175944802 RUKOUMYZFXRQGW-ILXRZTDVSA-N 466.442 2.714 50 10 JFGE O=S(=O)(N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1)N1CCC[C@@H](CBr)C1 2179816358 JTBBBYRQFXVIFE-UFYCRDLUSA-N 456.450 2.792 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CCN(Cc2ccccc2)C[C@@H]1C 2179861289 FORIHQVEXDKJDZ-HNNXBMFYSA-N 455.422 2.790 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)CCC12CC2 2214753491 MTEBDDKUFREAER-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE CN(Cc1ccc(B(O)O)cc1)C(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2257375409 YOPWRBLIGOVKFZ-UHFFFAOYSA-N 472.350 2.642 50 10 JFGE Cc1ccc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2264098554 WNNUDNCCXUPZEZ-UHFFFAOYSA-N 472.350 2.610 50 10 JFGE C[C@@H](C(=O)NNC(=O)C=Cc1ccc([N+](=O)[O-])cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 2325886161 BHHWZMUDTZXOEL-KGLIPLIRSA-N 481.534 2.913 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1I 13977207 ZSXZDZGKMFXGHT-RUDMXATFSA-N 499.305 2.788 50 10 JFGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N/NC(=O)Cc1ccccc1 33533028 ZDVROWMMNFLQBH-PJKLNKOBSA-N 494.573 2.952 50 10 JFGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)ccc1O 58992060 XEVOHMBNVWFXIE-PCLIKHOPSA-N 468.583 2.904 50 10 JFGE CC(C)n1nc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2)c2ccccc2c1=O 108307954 LMRVOCSISAKYJV-UHFFFAOYSA-N 450.886 2.891 50 10 JFGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(F)c3F)CC2)cc1OC 727758396 BHWOOPQOWDJPHO-UHFFFAOYSA-N 473.473 2.665 50 10 JFGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNc1ccc(S(=O)(=O)C(F)F)cc1 728974065 CHAWPMGCJZUGLW-UHFFFAOYSA-N 488.476 2.593 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860772422 YFAZATWVWXZZJU-AWEZNQCLSA-N 454.552 2.687 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2268606875 BZZFPFCYQWKIFF-RUZDIDTESA-N 484.361 2.819 50 10 JFGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc(Br)o1 12570709 LWLGKFIXDFAPTH-UHFFFAOYSA-N 494.108 2.596 50 10 JFGE COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1I 12575336 USLPAQRMVACEOX-DJKKODMXSA-N 485.234 2.989 50 10 JFGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCOc1ccccc1 13623204 AVFSPZRLQXWZQX-NRFANRHFSA-N 473.529 2.954 50 10 JFGE Cc1cccc(OCC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1 254305599 KLJRWKNTSPTATQ-UHFFFAOYSA-N 456.502 2.557 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c(OC)c1 730751834 HOOUPMRRVIFHGO-UHFFFAOYSA-N 454.504 2.753 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084503274 INRYBNKUBURITE-UHFFFAOYSA-N 479.558 2.857 50 10 JFGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C 1772760286 UCYRPLKFJLPHFN-AWEZNQCLSA-N 469.567 2.924 50 10 JFGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)C1 1865851429 BNSOUCQHBWWHOH-WDEREUQCSA-N 473.486 2.652 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)C1 1872962015 OHXHUZJCVULSDM-CVEARBPZSA-N 486.370 2.579 50 10 JFGE CN(C1CC(CBr)C1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2018085082 KFKCDTMJVNUWII-UHFFFAOYSA-N 457.390 2.888 50 10 JFGE C=CC[C@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023604282 OCUPPSYFVOOJOA-CQSZACIVSA-N 457.390 2.815 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2046018533 JGZNGJZHHQSEEM-ZYKCCNLVSA-N 473.364 2.731 50 10 JFGE CN(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)C[C@@H]1Br 2089924284 UQKLAAKFSZQBFA-POYBYMJQSA-N 452.621 2.862 50 10 JFGE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(CBr)cc2)CC1 2106777068 OZDWZXPCNIPIRM-UHFFFAOYSA-N 467.407 2.989 50 10 JFGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179834737 LZSSFRZZHVWJKB-VAMGGRTRSA-N 457.434 2.857 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC2(CCC(Br)CC2)C1 2190040381 OWTKQPXOXYKOFU-UHFFFAOYSA-N 499.427 2.801 50 10 JFGE CN(CCCBr)S(=O)(=O)N(C)Cc1cccc(I)c1 2265617520 RHHLRDOAVWVVCD-UHFFFAOYSA-N 461.163 2.685 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1O 2325288048 ODWKTPWZFYQFCC-UHFFFAOYSA-N 462.915 2.525 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2356241057 ALNZDFOMNZKFNM-FYQPLNBISA-N 457.434 2.855 50 10 JFGE C=CCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OCC 38608984 QGUNIQCBCIZWOI-XSFVSMFZSA-N 468.506 2.822 50 10 JFGE Nc1c(NNC(=O)COc2ccccc2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 40728329 URRUTXZTZPFXEM-UHFFFAOYSA-N 453.934 2.561 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 725442900 BTKKWYJGEJHDIE-UHFFFAOYSA-N 481.530 2.765 50 10 JFGE Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3ccccc3OCc3ccc(F)cc3)n2)cc1 727951015 OKRIGKLWSDHWSC-UHFFFAOYSA-N 460.469 2.828 50 10 JFGE COc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771743 GMAZKHSLWNIABE-CFRMROPGSA-N 482.562 2.776 50 10 JFGE CCCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963087 YXXSEIWOTXOWKA-VQTJNVASSA-N 479.581 2.995 50 10 JFGE CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)OCC(=O)C(C#N)=C(C)N)cc1 2040481258 MDHRYZSYHTVZQR-UHFFFAOYSA-N 465.482 2.917 50 10 JFGE COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)C(C#N)=C(C)N)cc1OC 2042438425 YFRHLOCFUVXWHL-UHFFFAOYSA-N 487.896 2.857 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053981571 JOIJYNAKQYSFEJ-MPGHIAIKSA-N 469.401 2.746 50 10 JFGE Cn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(CCl)n1 2059431583 AEFYCRPJZCIHMV-UHFFFAOYSA-N 494.014 2.552 50 10 JFGE O=S(=O)(CCC(CCl)CCl)N=c1[nH]cc(Br)nc1Br 2104650385 YQAGVXIXZGCTAQ-UHFFFAOYSA-N 455.987 2.649 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC12CC2 2106295630 JLONXHYZFAKJSV-CQSZACIVSA-N 452.415 2.612 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2185292860 KHEASNYYAJDBPF-YDEJPDAXSA-N 452.086 2.764 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2c(F)cccc2I)CC1 2282785448 ULUUBQLURGEQNJ-JTQLQIEISA-N 455.109 2.972 50 10 JFGE C[C@H]1CN(C(=O)C(C#N)=C2NC(=NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)C[C@@H](C)O1 2296532742 UEYRWEFMISMUDN-GASCZTMLSA-N 459.462 2.655 50 10 JFGE CC(=O)Nc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40659237 GJOGWMQWVCHUBN-UHFFFAOYSA-N 466.414 2.681 50 10 JFGE O=C(N/N=C\c1c(Cl)cccc1Cl)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891907 KYMYZNCWUGEENQ-DGKJUAPTSA-N 450.307 2.749 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 1154050887 ZNKFIJHMDYRLFH-UHFFFAOYSA-N 456.593 2.720 50 10 JFGE CC#CCCNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1566957702 WFVWUQOYYDHPBS-FOWTUZBSSA-N 454.328 2.625 50 10 JFGE CCOc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860772423 YFAZATWVWXZZJU-CQSZACIVSA-N 454.552 2.687 50 10 JFGE COC(=O)[C@H](CCCl)NC(=O)c1ccc(I)c(Br)c1 2139590269 NQYOWTWDLNKQND-JTQLQIEISA-N 460.493 2.954 50 10 JFGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cnn(CCBr)c1 2179814623 FKVOCXGTZOGYRL-SFHVURJKSA-N 455.422 2.953 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 2296557201 YCTRAXLWRQMRNO-YADHBBJMSA-N 495.630 2.551 50 10 JFGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313617121 GZNWZLMRCROHNG-UHFFFAOYSA-N 470.551 2.791 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(CCOCCI)CC2)C1 2326653541 IFFNCHIWESOAMW-HZPDHXFCSA-N 467.392 2.501 50 10 JFGE NNC(=O)C1(CSc2cc(I)ccc2Br)CCOCC1 2363655538 ADNOQWYVJDKZKR-UHFFFAOYSA-N 471.158 2.933 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)sc2c1CC[C@H](C)C2 254556629 WBUVYBKPBBDIDI-NSHDSACASA-N 474.495 2.752 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084606868 CAVMGPXOUWOBGN-UHFFFAOYSA-N 494.573 2.995 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H](Br)CBr 1900968892 CXELXQFPRPAAIQ-SCSAIBSYSA-N 482.796 2.833 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2032218194 ADZQWLGXEIHETC-OLMNPRSZSA-N 469.401 2.746 50 10 JFGE Cc1cc(Br)ccc1S(=O)(=O)NCCOCCCI 2141774355 ZHOICCDQRXVQNX-UHFFFAOYSA-N 462.147 2.878 50 10 JFGE COc1cc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(Br)cc2)cc(OC)c1OC 2296065496 OOAWHEBJLZPGNC-UHFFFAOYSA-N 494.367 2.824 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc(C)c1Cl 40844465 FFZUODHAMCTTGZ-FQEVSTJZSA-N 457.914 2.804 50 10 JFGE CN(C)C(=O)/C(C#N)=C/c1cc(I)cc(I)c1O 59333506 KQPIERAQMASVIN-FPYGCLRLSA-N 468.032 2.597 50 10 JFGE O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NNC(=O)c1ccccc1 59811949 JYZKLCOCZXAYNA-UHFFFAOYSA-N 484.545 2.614 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)NNC(=O)c1ccccc1 59814715 MBLDZCARDNMQAW-KEBDBYFISA-N 474.344 2.567 50 10 JFGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 725438027 QSGOWCZFTSITLS-UHFFFAOYSA-N 474.517 2.522 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 730580984 QRKSDTNPJAGMAM-UHFFFAOYSA-N 459.978 2.652 50 10 JFGE CCS(=O)(=O)N(CC(=O)NN=Cc1cccc(Br)c1)c1ccc(OC)cc1 1084264516 HDENWLYXWUSCFG-UHFFFAOYSA-N 454.346 2.764 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1)NNC(=O)C1CCC1 1084599376 OHVBWXBEJDDNFM-UHFFFAOYSA-N 479.566 2.869 50 10 JFGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 1866130390 RVIOUUNEOFUDHP-FOWTUZBSSA-N 465.491 2.840 50 10 JFGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1942096243 ACNDZJSYANJNIB-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC2)C[C@H]1CBr 1946220596 CINWAGZDPVBLQP-AWEZNQCLSA-N 455.374 2.642 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C1(O)CCC1 2022930351 SPSCDDBQSHAVKW-CQSZACIVSA-N 479.665 2.817 50 10 JFGE O=S(=O)(C[C@@H](Br)c1ccc(F)cc1I)N1CCOCC1 2145640764 BXKRGEHSMJKMRA-LLVKDONJSA-N 478.121 2.528 50 10 JFGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(S(=O)(=O)c2cnn(CCBr)c2)C1 2179811495 IQAJBENUEIINSH-IRXDYDNUSA-N 455.422 2.809 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2248396902 GIDGJSJIFIILDI-HZPDHXFCSA-N 478.379 2.875 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2257371689 CJFKMMZJKGGGFO-UHFFFAOYSA-N 470.334 2.573 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1OC 2313739164 ZOOKZYHVDALFCI-UHFFFAOYSA-N 464.341 2.815 50 10 JFGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2321461887 LWSDAYYRVVYVSY-IYJAJMOOSA-N 475.380 2.834 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccccc3C)c3ccccc32)cc1 1954491 LUWPQLGICSSQPW-FAJYDZGRSA-N 469.501 2.748 50 10 JFGE COC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 14666183 SCBCEMVYSHMLCD-UHFFFAOYSA-N 452.330 2.946 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815068 ZVVPXYOVBYIMCP-HAVVHWLPSA-N 470.507 2.583 50 10 JFGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 40990761 VFMVYUSEEGBLDM-SFQUDFHCSA-N 461.474 2.720 50 10 JFGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCCO)cc1I 59147487 BSGLVGBTVBRCCP-WSDLNYQXSA-N 463.275 2.964 50 10 JFGE COc1cccc(NC(=O)/C(C#N)=C\N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 254307785 NKNOCDMMDKGEQH-WEBJCGMQSA-N 498.586 2.825 50 10 JFGE O=C(CNC(=O)c1ccco1)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254349242 KCKDUGKHIZDZNC-UHFFFAOYSA-N 453.367 2.768 50 10 JFGE O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NN=Cc1ccccc1C(=O)O 254409720 QXEPLWXSKAGBBR-UHFFFAOYSA-N 461.515 2.998 50 10 JFGE CC(=NNC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 254704726 QDYKKNKLDOGIJR-UHFFFAOYSA-N 457.537 2.550 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(O)c(OCC)c3)nnn2-c2nonc2N)cc1 254704987 VTJDOISIKXEARX-UHFFFAOYSA-N 492.496 2.557 50 10 JFGE O=C(CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)NNC(=O)c1ccccc1 1084323627 MBLDZCARDNMQAW-UHFFFAOYSA-N 474.344 2.567 50 10 JFGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 1084389366 FGRXDCDRRDXQSI-UHFFFAOYSA-N 461.910 2.987 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(F)c(F)cc3F)CC2)c1 1295114928 YZUJGLRPRVQJHD-UHFFFAOYSA-N 455.458 2.851 50 10 JFGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)n1 1865760065 FCPYVEYITTYMSK-UHFFFAOYSA-N 453.520 2.685 50 10 JFGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1 1867217446 NLSOGGWPUKJZHV-HXUWFJFHSA-N 462.531 2.757 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCC[C@@H]1CBr 1942097494 IQZMBKNIDXVMIP-PBHICJAKSA-N 457.390 2.936 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](Br)CC1 2000540811 QODUGUCUHPQZJG-FZKQIMNGSA-N 461.353 2.590 50 10 JFGE COCCN(CCNS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106295893 MNHXEQPQIJMBBO-UHFFFAOYSA-N 451.383 2.743 50 10 JFGE CN(C)[S@@](=O)(=NC[C@H](Br)C(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2106781902 LYLCRSPIVWDEKX-LJZMDLFKSA-N 467.352 2.725 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2Br)cc1Br 2146526271 UXDHMZLMQCYKLB-QWRGUYRKSA-N 491.043 2.876 50 10 JFGE CC1(C)CN(S(=O)(=O)c2cnn(CCCBr)c2)CCN1Cc1ccccc1 2179787404 ODAFEWCSAUHRGF-UHFFFAOYSA-N 455.422 2.953 50 10 JFGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@@H]3CS(=O)(=O)C[C@H]32)C1 2265306078 NFLAQLPFMPFXKM-NWPKHEMWSA-N 451.427 2.516 50 10 JFGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623539 IUIPUPOUAUQOQW-IBGZPJMESA-N 468.579 2.550 50 10 JFGE COc1c(C)cccc1C(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59167563 VXAGQLWLKFFNRA-XAYXJRQQSA-N 482.496 2.781 50 10 JFGE Cc1c(C(=O)NN=Cc2ccc(C=NNC(=O)c3sc(N)c(C#N)c3C)cc2)sc(N)c1C#N 254742245 OUTMICSOKBVGST-UHFFFAOYSA-N 490.574 2.862 50 10 JFGE COc1ccc(-c2cnc(CCC(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)o2)cc1 728211267 OUMNGKMNJJWMON-UHFFFAOYSA-N 456.524 2.867 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(Cl)cc2)n1 914453488 GJTQULVSVITNCP-HAKPAVFJSA-N 457.943 2.575 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 1176937061 FPKISEGEAJFNDV-UHFFFAOYSA-N 457.562 2.557 50 10 JFGE C#C[C@H](NC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(Br)cc1 1312936024 DWUFUXUURLEMII-INIZCTEOSA-N 454.284 2.659 50 10 JFGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccc(OC)cc2Br)ccc1F 1471696233 DPIZWLDYLUTHSW-UHFFFAOYSA-N 458.309 2.818 50 10 JFGE CN(CC(C)(C)CBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1945728406 IWCKKBIBDCTNFO-UHFFFAOYSA-N 459.406 2.992 50 10 JFGE COC(=O)[C@@H](Br)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1955894069 OZSSHENCOVZXQG-ZDUSSCGKSA-N 466.373 2.628 50 10 JFGE CC(C)(C)[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538201 GAMXYBWSIYXKAC-RDTXWAMCSA-N 463.369 2.740 50 10 JFGE CCOC(=O)C(C#N)=CC(C#N)=C(N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2040740780 CQNNKEBRNICGLP-UHFFFAOYSA-N 454.840 2.583 50 10 JFGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1)OCc1ccccc1 2106303177 RUHUOKRJQCUONR-RBUKOAKNSA-N 483.384 2.944 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2108246624 XNAYIRFHVSRDGW-UYAOXDASSA-N 487.391 2.886 50 10 JFGE O=C(c1cc(I)ccc1O)N1CCN(CCCBr)CC1 2169928222 PQVSGTABCHVCHT-UHFFFAOYSA-N 453.118 2.540 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@@H]2CCO[C@]2(CBr)C1 2239890161 IAZPFDCDYUJWOB-LKFCYVNXSA-N 452.086 2.623 50 10 JFGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CCCCI)C1 2248249265 VMQRGNWLFWBSPF-KRWDZBQOSA-N 454.349 2.540 50 10 JFGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2296790164 TYTXDGXJBZFOSU-UHFFFAOYSA-N 469.508 2.867 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)[C@]2(CCCOC2)C1 2306801369 FZEKELMAVTXAEG-WMLDXEAASA-N 454.349 2.586 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](CBr)OC(C)(C)C1 2364230421 MJGBHQLOSXDMNG-SSDOTTSWSA-N 473.991 2.960 50 10 JFGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 12503493 XCNSEJXUECSEAI-BUHFOSPRSA-N 460.559 2.972 50 10 JFGE CC(=O)/C(C(=O)N(N)c1nc2ccccc2s1)=C(/C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 101432706 LRENESWCOIKUJC-XQNSMLJCSA-N 493.589 2.913 50 10 JFGE COc1cc(C(=O)NC2=N/C(=C(\C#N)C(=O)NCC(C)C)c3ccccc32)cc(OC)c1OC 102673729 PBKRSQNGDUALNP-DYTRJAOYSA-N 462.506 2.909 50 10 JFGE CCOc1cc(I)cc(C=NNC(=O)[C@@H]2COc3ccccc3O2)c1O 252629380 UESRUJVFSVRGGJ-INIZCTEOSA-N 468.247 2.686 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NN=C4C(=O)N(C)c5ccccc54)c(=O)c23)cc1 254305341 NJSZEVFLMBDISI-UHFFFAOYSA-N 457.515 2.930 50 10 JFGE COc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)ccc1O 1084070024 OZDPQBCSRWHQOP-UHFFFAOYSA-N 454.556 2.514 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1C 1860770596 OWBFCFKSADIUSX-SWLSCSKDSA-N 474.608 2.770 50 10 JFGE Cc1c(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cccc1[N+](=O)[O-] 1860771430 WDORDJCHTATVHJ-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)Cc2ccccc21 1983328113 UDOZAHFKYFDIDF-GFCCVEGCSA-N 452.314 2.665 50 10 JFGE CC[C@@H](C)N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544866 QJMOTGHGCXYJNV-ACJLOTCBSA-N 463.369 2.836 50 10 JFGE NCCSSCCNS(=O)(=O)c1cc(Br)sc1Br 2061265455 HLFMIZXFHOUWHM-UHFFFAOYSA-N 456.272 2.892 50 10 JFGE CC[C@@H]1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CN1C(=O)OC(C)(C)C 2106295160 DPQUGNHVQFYNDU-HUUCEWRRSA-N 454.431 2.858 50 10 JFGE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(CBr)cc2)C1 2163054649 ZEXRKPBVLJXIIT-HUUCEWRRSA-N 463.394 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2163056912 WVWHNVNZEIUYJN-IYJVBRSBSA-N 488.470 2.588 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178084507 ZDZRKPPPBNYNHX-DYLAAIIWSA-N 454.077 2.912 50 10 JFGE Cc1sc(CN(C)C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2257370602 TULROVGEVNNXQF-UHFFFAOYSA-N 492.406 2.932 50 10 JFGE COC[C@](C)(CBr)N(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338845025 MBOHKGFSVDTXTI-FQEVSTJZSA-N 489.432 2.905 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10294058 HARFPGNUAHZTND-SNVBAGLBSA-N 470.334 2.883 50 10 JFGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C 15224743 WVOGLDFEHZMYKC-PTNGSMBKSA-N 483.488 2.712 50 10 JFGE O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O 72336385 OYKHDTUAIVKBNA-PBLVYNCXSA-N 497.143 2.603 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 730538887 BDMJDVPBBGGKRC-KRWDZBQOSA-N 479.320 2.815 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084302593 QTAGVINOCDCAJB-UHFFFAOYSA-N 487.472 2.788 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)c1 1558199179 BGNSCCKCERQXBL-UHFFFAOYSA-N 456.593 2.829 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2)C1 1872962412 STYAJLLYCLGMJC-NHCUHLMSSA-N 490.608 2.807 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(CBr)CC2(CCC2)C1 2062706223 CWOXLEWYSDXQBE-UHFFFAOYSA-N 469.401 2.938 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)Cc1ccccc1 2164503780 WVNPXJFPJBQAED-KKSFZXQISA-N 452.935 2.780 50 10 JFGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(Cl)cc1B(O)O 2243910652 IULSVIMSOZTCJM-UHFFFAOYSA-N 464.714 2.887 50 10 JFGE O=C(N[C@@H](CBr)C(=O)O)c1ccc(I)c(Br)c1 2303598230 ZPPDHKWVQFSSOV-QMMMGPOBSA-N 476.890 2.632 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1Br 2313617076 BOOTWIWNKJIJBV-UHFFFAOYSA-N 452.305 2.946 50 10 JFGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc([N+](=O)[O-])c1OC(C)C 2318415729 VIAMHTQVEQASSM-UHFFFAOYSA-N 453.455 2.710 50 10 JFGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 13978754 RKQSMCMIVMRZJH-UHFFFAOYSA-N 486.775 2.891 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCC)c(Br)c2)cc1 14770487 XJFLDEVGDAFVIT-UHFFFAOYSA-N 465.300 2.865 50 10 JFGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 58987811 WNEPBVLYRXHRTB-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE C[C@@H](NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 217050372 RWTNNHFCVLRWGM-NGJDMAORSA-N 456.612 2.595 50 10 JFGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(C)c1ccccc1O 1083909638 CFEZGSNAUJSHFJ-UHFFFAOYSA-N 462.539 2.595 50 10 JFGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(Br)cc1Cl 1265003252 JWSKBGRWJRIDOL-UHFFFAOYSA-N 452.736 2.955 50 10 JFGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)c3ccc(Br)cc3Cl)CCC[C@H]2C1 1635917714 HGNVBLVANCSOSZ-PEYYIBSZSA-N 457.756 2.694 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2cc(Br)ccc2F)c1 1648258920 UVKFGQTYJIFTSO-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)C1 1873777349 GGJHVWGBDWDZFQ-HXUWFJFHSA-N 483.528 2.873 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@@H]1C[C@@H]1Br 2076165288 OOFOWVRXYPGQTB-FSPLSTOPSA-N 462.989 2.856 50 10 JFGE O=S(=O)(c1occc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179827765 IYAYRIASCMHZIX-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1C[C@@H](Br)[C@H]2COC[C@H]21 2354373682 DKVWKJHEFZVMCO-FBIMIBRVSA-N 490.011 2.994 50 10 JFGE NNC(=O)[C@@H]1CC[C@H](COCc2ccc(I)c(Br)c2)C1 2377632635 CVKKIBNXPYYJRV-GXSJLCMTSA-N 453.118 2.977 50 10 JFGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629239 MBSUYQUFQZUIHQ-HNNXBMFYSA-N 486.322 2.770 50 10 JFGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629891 COLFXVZTQBKPQO-CQSZACIVSA-N 492.370 2.915 50 10 JFGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Cl)cc1 13978748 KAPOGLUSSWAOPQ-UHFFFAOYSA-N 486.775 2.755 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 14021412 ARTUKKWOSKQAQH-UHFFFAOYSA-N 482.274 2.698 50 10 JFGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594069 ROYJKLILOWLCEV-UHFFFAOYSA-N 480.437 2.767 50 10 JFGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccccc1 40784114 IVBXXJYSFSFQLQ-UHFFFAOYSA-N 462.297 2.645 50 10 JFGE Cc1ccc([N+](=O)[O-])cc1C=NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 252609988 HXCRTYJDMDAHBH-JOCHJYFZSA-N 484.472 2.761 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c(C)n1-c1ccc(F)cc1 913257401 FKZHJLIDSLOSHL-CNEDASOKSA-N 452.486 2.550 50 10 JFGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc(Br)c1OC(F)F 917531634 DQNHAUCFNUUOIH-UHFFFAOYSA-N 481.257 2.863 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)Cc2cnc(C)s2)cc1 920850724 DMQMJVKHYINLDE-LICLKQGHSA-N 464.551 2.765 50 10 JFGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1468389667 RMFHAAZNXRJREW-UHFFFAOYSA-N 456.387 2.977 50 10 JFGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cnc2s1 1860769743 GJEWWIKOYAHOHJ-SNVBAGLBSA-N 469.350 2.942 50 10 JFGE COc1cccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865852248 QIXMGIJKXBLQAW-CQSZACIVSA-N 454.552 2.687 50 10 JFGE CCc1cccc(CC)c1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777673 OLMPSALBASPXCL-NHCUHLMSSA-N 463.582 2.941 50 10 JFGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1950518490 BODOINCTFITIDJ-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2058235831 AEXBUPNRULWRGF-AWEZNQCLSA-N 481.359 2.989 50 10 JFGE O=C(c1cc(I)sn1)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2135057649 DMPUISVPQSFSNQ-SZEHBUNVSA-N 457.131 2.762 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]1C2 2281284908 CSLBCDFUDZOMPX-MPGHIAIKSA-N 461.378 2.685 50 10 JFGE C[C@H](Br)CCCN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2299506879 IHZBIZFSPGMKAS-UGSOOPFHSA-N 463.369 2.836 50 10 JFGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 13623378 HGFGKEMRCKHEGY-QFIPXVFZSA-N 486.597 2.889 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2cccc(C)c2)c(Br)c1 13979143 FCFZCQZCBMEHKV-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE O=C(NNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40622722 GCNNYURNLPATJQ-UHFFFAOYSA-N 464.870 2.601 50 10 JFGE CN1C(=O)/C(=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2ccccc21 101016966 XJNLMLDJWXGASH-NCVBTFMMSA-N 469.457 2.863 50 10 JFGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 254813216 UAGPOFJMBDUOOG-UHFFFAOYSA-N 482.449 2.761 50 10 JFGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C1CCN(c2ncccn2)CC1 728961182 BGXLILCXWAZPTH-FQEVSTJZSA-N 497.987 2.535 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)cc1 914460567 DPGSIYUJZMRPMG-XSFVSMFZSA-N 454.490 2.906 50 10 JFGE CCn1c(NNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)nc2ccccc2c1=O 1086932997 NCKQOFHMCWRQOL-FQEVSTJZSA-N 457.490 2.720 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](Br)C2 2046018530 JGZNGJZHHQSEEM-LJPSSGMGSA-N 473.364 2.731 50 10 JFGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 2179814931 IRCWVYPNARQTIY-VQTJNVASSA-N 456.450 2.936 50 10 JFGE Cn1ncc(NS(=O)(=O)c2ccc(CBr)cc2)c1I 2265305755 JACGUPROQUEVHE-UHFFFAOYSA-N 456.103 2.720 50 10 JFGE O=S(=O)(C[C@@H](Br)c1c(F)cccc1I)N1CCOCC1 2282887505 FHYHEEVILQQAKO-SECBINFHSA-N 478.121 2.528 50 10 JFGE CS(=O)(=O)N1CC[C@@H](O[C@@H](CI)c2ccc(Br)cc2)C1 2285603985 XQGBUUUHKBKOGO-OLZOCXBDSA-N 474.158 2.976 50 10 JFGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cncc(Br)c1 2314793639 WGOHOOFFHIJNGU-UHFFFAOYSA-N 472.295 2.838 50 10 JFGE COc1ccc(OC)c(NC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 2325162090 UOLWSYVWXVUCHE-UHFFFAOYSA-N 450.495 2.596 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1[C@H](CCl)C[C@@H]2OCC[C@@H]21 2364212707 ZVNUJJVWYIPFBV-SNRMKQJTSA-N 454.976 2.643 50 10 JFGE NNC(=O)c1ccc(COCc2cc(I)ccc2Br)o1 2367279448 LQPJUWGGCPWBFF-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE COC[C@]1(CBr)C=CCN1C(=O)c1c(Br)c(Br)nn1C 2379838550 UBPGXHFIWPCRCB-GFCCVEGCSA-N 471.975 2.737 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1)c1ccc(Br)cc1 20835422 BOHOZYKYEZITCK-KEBDBYFISA-N 468.381 2.689 50 10 JFGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 20923675 TYRRWYLGOOBZHB-FSJBWODESA-N 473.946 2.856 50 10 JFGE O=C(NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-])c1ccccc1Br 40658395 MWZGWZAXTDVSLU-UHFFFAOYSA-N 461.280 2.603 50 10 JFGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)cc1 101604272 MAJJUICBPCELCP-NHFJDJAPSA-N 490.516 2.907 50 10 JFGE CCOc1cc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 1084581048 JWJPOFJIXIAVGJ-UHFFFAOYSA-N 485.526 2.694 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3nccnc3Cl)cc2)cc1 1306599570 ZJXIZEDYMNPDIW-UHFFFAOYSA-N 459.915 2.568 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751733 LAPDSXGLHWLTSQ-UHFFFAOYSA-N 476.489 2.604 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 1860770089 SEIQYVXXLSPQPT-UHFFFAOYSA-N 477.502 2.732 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866805088 CNHKFCKENXENNH-CQSZACIVSA-N 474.564 2.525 50 10 JFGE N#CSc1ccc(NC(=O)c2ccc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cc1 1868174373 VUZDLWSYLCVPGH-FQEVSTJZSA-N 456.593 2.821 50 10 JFGE Cc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872962299 SIDAAQPMKXOWFX-SJORKVTESA-N 455.946 2.778 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 1942090683 YIFAAJDDAXJFEU-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 1942095076 MVLKFHPPPHUKRQ-MRXNPFEDSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCC[C@H](CBr)C1 1942095765 VTPKEEOUYGJCPC-LSDHHAIUSA-N 457.390 2.936 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2163056915 WVWHNVNZEIUYJN-RXBISOJRSA-N 488.470 2.588 50 10 JFGE O=S(=O)(C[C@@H](Cl)c1ccc(Br)cc1I)N1CCOCC1 2207266695 BDUROVRYHBZJMG-LLVKDONJSA-N 494.576 2.996 50 10 JFGE O=C(NOCCCNC(=O)c1c(Cl)cccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255786795 UIPWYWBHULAYQT-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE CCOc1cc(C=NNC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc([N+](=O)[O-])c1O 2323620259 PWRQZPMNDDVLPT-UHFFFAOYSA-N 450.451 2.981 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1 14021531 QPNVNQRPVJNKRY-UHFFFAOYSA-N 479.327 2.930 50 10 JFGE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)c(C)c1 17819565 ZWSPMJSCMBLONV-UHFFFAOYSA-N 482.606 2.965 50 10 JFGE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)ccc2O)n1)NNC(=O)c1ccc(Cl)cc1 20923545 PYCRKCJJHMTANV-ODCIPOBUSA-N 480.337 2.816 50 10 JFGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 20923864 QTTUDAVSQYNFLG-SSDVNMTOSA-N 488.917 2.756 50 10 JFGE O=C(NNC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1)Nc1ccc(Cl)cc1 22706069 KQGPVYUGIDOYLQ-DNVCBOLYSA-N 469.929 2.537 50 10 JFGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40657710 SYXOSKXMZSRNMX-UHFFFAOYSA-N 486.832 2.769 50 10 JFGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112610 FHZVJYIUAJCAEG-SFHVURJKSA-N 465.597 2.787 50 10 JFGE COc1ccc(N2C[C@@H](C(=O)NN=Cc3ccc(I)cc3)CC2=O)cc1 1084571582 CROUFFRDOJIOGF-AWEZNQCLSA-N 463.275 2.803 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2c(F)cc(F)cc2F)cc1 1456710792 HXQOQAPBVXJNLN-GOSISDBHSA-N 455.458 2.993 50 10 JFGE O=S(=O)(NC[C@H]1COC[C@H]1Br)c1cc(Br)ccc1Br 2097824518 OIOXUGFAGUMJNS-OIBJUYFYSA-N 478.000 2.900 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)c1CBr 2179814000 XLHWFWHGBPADQR-IRXDYDNUSA-N 453.406 2.756 50 10 JFGE CN1CCN(C(=O)Cc2ccccc2I)[C@H](CCBr)C1 2202834795 NHSUMUDHOFHTGQ-CYBMUJFWSA-N 451.146 2.761 50 10 JFGE O=C(c1cc(I)ccc1F)N1C[C@@H]2COC[C@]2(CBr)C1 2234579178 IPVCFJUTXOGHOU-OTYXRUKQSA-N 454.077 2.914 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CCl)C1 2239163352 UNOUYZFAJMGLSP-RXVVDRJESA-N 454.976 2.503 50 10 JFGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2297311697 CBWNOSADRSBWPZ-UHFFFAOYSA-N 490.472 2.844 50 10 JFGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccncc1 20595725 ABROAUUPACKGQY-BUVRLJJBSA-N 490.607 2.774 50 10 JFGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(Cc3ccccc3F)c3ccccc31)C(C#N)=C(N)O2 39918735 GPZDIKHQMPESCV-MHZLTWQESA-N 486.503 2.861 50 10 JFGE O=C(N[C@H]1CCCN(CCBr)C1)c1cc(I)ccc1O 384718370 NLWBTWYICPKCAM-NSHDSACASA-N 453.118 2.586 50 10 JFGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2Br)(c2ccccc2)CC1 1440558965 LOYGEEUDBZJCPP-UHFFFAOYSA-N 456.340 2.957 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 1651317635 POCZITNPYHTIMI-HMMYKYKNSA-N 455.503 2.930 50 10 JFGE O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858955759 PDAWQTJXFYCRSZ-UHFFFAOYSA-N 485.474 2.767 50 10 JFGE O=C(NCCOCCCI)c1ccc(I)cc1 1997683077 KTCQNENLURZGSM-UHFFFAOYSA-N 459.065 2.863 50 10 JFGE C[C@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)cc1 2060423875 SGQWPSICPJSFKC-SMDDNHRTSA-N 468.534 2.670 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106779394 NPFUGJBBJUBRDU-KGLIPLIRSA-N 454.431 2.668 50 10 JFGE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2107386493 AVGANZQQNMILJN-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CCl)(C(F)(F)F)C1 2167690906 XZUIZYLOMBYWMX-DLBZAZTESA-N 470.872 2.834 50 10 JFGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)c1n[nH]cc1CBr)C2 2179867720 ZZUGSFREMKKOCA-KDURUIRLSA-N 453.406 2.837 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)COc3ccc4c(C)cc(=O)oc4c3)c2cc1OC 2328793522 XHTFABLIXJYCJL-UHFFFAOYSA-N 479.445 2.827 50 10 JFGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1 58894331 YNQXBGBMPZAJPP-PXMCARDJSA-N 458.511 3.000 50 10 JFGE CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217199338 GZJRGINZTKMJFT-SBOLGIJOSA-N 452.580 2.840 50 10 JFGE CCCN(CCC)Cc1c(C(=O)NN=Cc2c(C)cc(C)cc2C)nnn1-c1nonc1N 254843652 GWADGMFDHPLXTB-UHFFFAOYSA-N 453.551 2.544 50 10 JFGE C#CC[C@@]1(C(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)CCCN1C(=O)OC(C)(C)C 1137652071 YSFKURPWPFTWKC-FQEVSTJZSA-N 457.499 2.919 50 10 JFGE CC(C)Oc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962487 UMFSDLUWEFXZGL-RBUKOAKNSA-N 465.554 2.604 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CBr)C[C@H]1C(F)(F)F 1877512136 ASUFGPNOIWURBS-PBHICJAKSA-N 497.333 2.946 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 1909269660 JSJMVHYUHAQYAZ-IXDOHACOSA-N 455.374 2.640 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1CCC[C@H]1Br 2046029182 OKXCOTVUWHVWMR-NRXGSXMXSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304956 KNAQGCWNCMEDKL-GJZGRUSLSA-N 454.431 2.906 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Cl)C(F)(F)CC1 2108233696 ISCHHHLSKQJTCX-PBHICJAKSA-N 452.882 2.679 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)OC2(CCC2)C1 2165768415 ZRPZVSGXUZOBGZ-INIZCTEOSA-N 499.427 2.801 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C1CC1 2198269081 DNJKANCMESTUKG-JKSUJKDBSA-N 466.442 2.858 50 10 JFGE O=S(=O)(Nc1ccc(Br)c(I)c1)N1CC(Cl)C1 2246897334 LGQQPBLLCYYVFG-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2256624350 VSYQPUNIOSTGSS-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 2313616947 DICDZFDWHNKFCD-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(S(N)(=O)=O)cc1 2325405979 CUHUJQKQUYMLFX-UHFFFAOYSA-N 482.303 2.705 50 10 JFGE Cc1cccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(C)nn34)C[C@H]2C)c1 8599018 SWUYLFQSAWAMFM-GOSISDBHSA-N 486.580 2.855 50 10 JFGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13979217 VZHNXIWNIHPDKJ-UHFFFAOYSA-N 472.748 2.826 50 10 JFGE Nn1c(SCCCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 58990209 GDBVXSPXBKZFMB-SSDVNMTOSA-N 475.918 2.949 50 10 JFGE C[C@H](Sc1ccccn1)C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59165412 WVTZWTFGQITBHM-HJCLVFCDSA-N 499.552 2.726 50 10 JFGE CCOC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 102863574 SIUCYPPSONQWOE-PGMHBOJBSA-N 457.534 2.795 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)sc1Br 234592069 HOPSFINVMQTURP-RXMQYKEDSA-N 496.946 2.980 50 10 JFGE NC(=O)COc1ccc(C=NNC(=O)c2cc(Br)cc(Br)c2O)cc1 254404279 QBNSHFHVXNAJSX-UHFFFAOYSA-N 471.105 2.545 50 10 JFGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(=O)c1C#N 254812893 FOIHELGQGZSTBA-UHFFFAOYSA-N 463.450 2.802 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2COc3ccccc3C2)cc1 920851183 CGJXVBZLEUZNIJ-KOMLCTQHSA-N 485.544 2.709 50 10 JFGE COc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1O 1084099578 SFLXVVBQMCXRFG-UHFFFAOYSA-N 453.520 2.569 50 10 JFGE O=C1c2cc(I)ccc2S(=O)(=O)N1C[C@H]1C[C@H](Br)C1 1887842863 YWEXJAOFVZEONU-ZKCHVHJHSA-N 456.099 2.609 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1CC[C@H](Br)C1 1942097225 GUYPDIBVRBVIGI-GJZGRUSLSA-N 457.390 2.936 50 10 JFGE O=S(=O)(C[C@H](Cl)c1cc(Br)ccc1I)N1CCOCC1 2145632425 ITSCCFNQKVYZMQ-NSHDSACASA-N 494.576 2.996 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2ccc(I)c(O)c2)CC1 2169349404 RKSPSMYSGFSLDQ-JTQLQIEISA-N 453.118 2.538 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(Br)cc1I 2231677066 YJYMRFDJRVBVDY-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2243685478 VPIINAFVBCFRCU-LSDHHAIUSA-N 464.352 2.532 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2289351616 XIYAUAZGPFXUBL-HDMKZQKVSA-N 499.427 2.513 50 10 JFGE COCCCNC(=O)Cn1cc(C=C(C#N)C(=O)NC2CC2)c2cc(Br)ccc21 2313623850 GERRUAUXHBOYJC-UHFFFAOYSA-N 459.344 2.742 50 10 JFGE O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1I 12501529 BVICDRREKGLLAI-UHFFFAOYSA-N 453.305 2.560 50 10 JFGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976720 SMRFLVNQBQKHDV-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1Br 14661478 RGCNKQFWBKNZFS-UHFFFAOYSA-N 464.316 2.654 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 254862505 XNVWIYFFIADUAU-UHFFFAOYSA-N 479.482 2.505 50 10 JFGE CN([C@H]1COC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709431806 QSLXDQMYUPKJGE-ZJUUUORDSA-N 478.000 2.994 50 10 JFGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 1084080914 XHUHPZRCRNATCJ-UHFFFAOYSA-N 494.573 2.995 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)COc3ccccc3OC)c(C)n2)cc1OC 1865758318 UZLLJSMNIJTFRO-UHFFFAOYSA-N 451.479 2.923 50 10 JFGE C[C@H](Br)C[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046027441 BQCFDXYQIPUTRL-KSMMKXTCSA-N 475.380 2.979 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@H](NC(=O)c2ccc(I)c(O)c2)C1 2121336403 GLJHGJSRIREEJC-QFHRKFJASA-N 458.030 2.865 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2ccc3cc(B(O)O)ccc3c2)C1 2282254672 GDTMACFNVUALHA-UHFFFAOYSA-N 460.339 2.781 50 10 JFGE O=C(NN=C1C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1ccc(F)cc1 2297748092 MPLAAWNLGAYEJC-MJGOQNOKSA-N 485.519 2.545 50 10 JFGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 10294084 PUAVOFKEWSFCKE-UHFFFAOYSA-N 490.541 2.983 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 13976203 WNTCWEBIDANKKS-UHFFFAOYSA-N 480.384 2.854 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 13977238 GJVJJGUVURTRLO-LFYBBSHMSA-N 458.515 2.678 50 10 JFGE Cn1c(=O)c2c(nc(Oc3cccc(/C=C(/C#N)c4nc5ccccc5[nH]4)c3)n2C)n(C)c1=O 33405850 LLAPPFVRCGDZFN-PTNGSMBKSA-N 453.462 2.703 50 10 JFGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3)cc2OC)cc1OC 33959238 YKNWFOCRBDLDBU-RWPZCVJISA-N 491.500 2.812 50 10 JFGE COc1ccc(C(=O)NNC(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c(OC)c1 730581827 ROAZWWOHRUGSPI-UHFFFAOYSA-N 461.588 2.630 50 10 JFGE CC1(C)C[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2012361114 FHZYWCGQHQOWNE-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE C[C@@H](Br)[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018117554 PDLONFFAYYMWAX-HNJNHCNJSA-N 461.353 2.588 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(CBr)C[C@@H]1C(F)(F)F 2072465041 XQTZIVNBIXUPIK-XJKSGUPXSA-N 483.306 2.556 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@H](Br)CC[C@H]21 2108234738 RAOIWLNOYSJAIP-BBNKJRPNSA-N 487.391 2.979 50 10 JFGE Cc1sc(CN(C)C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2256605686 MNWYOGJUXMTGQB-INIZCTEOSA-N 492.406 2.930 50 10 JFGE CC(C)(CBr)CS(=O)(=O)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2290037494 QKNWJEHOBPFNII-LJQANCHMSA-N 458.466 2.629 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2339881139 LRBHKSDMKBKHDA-AREMUKBSSA-N 484.361 2.568 50 10 JFGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1cccc2ccccc12 9229856 MMAXLFRGKNGVQK-JLHYYAGUSA-N 450.476 2.862 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 15985723 RSYAARWKJYADQE-UHFFFAOYSA-N 468.535 2.753 50 10 JFGE CCn1c(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 17518251 ZHNPKRPWBGFDFA-UHFFFAOYSA-N 499.637 2.998 50 10 JFGE Nc1c(NCCCn2ccnc2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40795590 NRTRWYPQLMWUDS-UHFFFAOYSA-N 451.318 2.586 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 726769134 GQXYRJDTODRBAR-BJLUOBIUSA-N 492.624 2.968 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(Cl)nc2)cc1 920853589 CBBOAYGQXHWJFY-LICLKQGHSA-N 464.913 2.706 50 10 JFGE COc1ccc(CC(=O)Nc2ccccc2C(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1 1083999814 XJQZKTDCKCWEGN-UHFFFAOYSA-N 460.490 2.504 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CCC(C)(C)N(S(=O)(=O)N2CCC(Br)CC2)C1 1879070739 RVYJIGVIEKSDGP-AWEZNQCLSA-N 454.431 2.858 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C[C@H]1C(F)(F)F 1904641616 CTZIRVZEIDVKDY-NSHDSACASA-N 452.255 2.922 50 10 JFGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087176 FKPKRQKBDLFREK-CABCVRRESA-N 457.390 2.888 50 10 JFGE CC1(C)C[C@@H](CBr)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2004914731 RMOIUKWLMXLDGZ-AWEZNQCLSA-N 457.390 2.746 50 10 JFGE Cn1ncc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1I 2010828118 AZXOTQSANRMRLY-UHFFFAOYSA-N 486.401 2.661 50 10 JFGE CC(C)(C)OC(=O)N[C@@]12CCC[C@@]1(F)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2198075708 ALTUMZQHNPAJAY-IAGOWNOFSA-N 470.405 2.562 50 10 JFGE CO[C@@H]1CN(C(=O)c2csc(I)c2)[C@H](CBr)[C@H]1OC 2225078935 ADZGLZDVVHFRNE-FXPVBKGRSA-N 460.131 2.602 50 10 JFGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1nc(B(O)O)ccc1Cl 2248899414 LZZSEWNAGDSQAV-UHFFFAOYSA-N 479.729 2.672 50 10 JFGE C[C@H](Br)[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCO1 2338863406 JVHJVXUAUAQJGP-BQBZGAKWSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1CBr 2381139367 WGCOUBGDVIQJAX-GOSISDBHSA-N 499.427 2.659 50 10 JFGE C/C(N)=C(/C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 9492811 SMGGVLAJVMRTRJ-SDNWHVSQSA-N 493.891 2.628 50 10 JFGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(C)c1 14011450 VMRKDOFRDVWWMX-UHFFFAOYSA-N 498.605 2.610 50 10 JFGE O=C(CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 59514334 RJVMUWGTARVSLA-OEAKJJBVSA-N 463.475 2.701 50 10 JFGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1Br)S(C)(=O)=O 252628286 SMPJSQFSSYLHGE-UHFFFAOYSA-N 454.346 2.682 50 10 JFGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)cc2)C1 728260893 LJJPAJMKXMBEEQ-HUUCEWRRSA-N 486.015 2.630 50 10 JFGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084159196 AIEBDNFPSVNGKJ-UHFFFAOYSA-N 474.517 2.869 50 10 JFGE C=CC[C@@]1(C(=O)NNC(=O)c2cc(Br)cn2C)CCCN1C(=O)OC(C)(C)C 1525077988 IWKZELSQOPSONI-IBGZPJMESA-N 455.353 2.894 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCSC[C@H]1CCBr 1942099648 WAHXEHJKJNPVHS-CQSZACIVSA-N 475.430 2.595 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCN2CCOCC2)C1 2007005485 VVZQAUOGZSFDII-QGZVFWFLSA-N 454.349 2.540 50 10 JFGE C[C@H](Br)[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018108881 SKAJANSFGMZAPZ-XJKSGUPXSA-N 457.390 2.886 50 10 JFGE COc1ccc(Br)cc1C=CC(=O)NNC(=S)NCc1ccc2c(c1)OCO2 2042446265 TTXWMVORUMSEGY-UHFFFAOYSA-N 464.341 2.895 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](Br)C2 2046018531 JGZNGJZHHQSEEM-PJHJGJPPSA-N 473.364 2.731 50 10 JFGE CC(=NNC(=O)CCN(C)C)c1ccc2c(c1)c1cc(C(C)=NNC(=O)CCN(C)C)ccc1n2C 2065278524 RJIYKDNKYXGKQS-UHFFFAOYSA-N 491.640 2.915 50 10 JFGE C[C@H](NC(=O)c1cc(I)sn1)c1nnc(CBr)s1 2072472450 AIZPLJDFQYSRQO-BYPYZUCNSA-N 459.132 2.985 50 10 JFGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@H](CBr)CC1CC1 2127125530 JBRJGKJICSLRBD-OAHLLOKOSA-N 451.427 2.518 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2162586478 JARVYKJGBBEUER-BPUTZDHNSA-N 466.442 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CCl)C1 2176634647 DZYBKXKFZDLXCF-SLFFLAALSA-N 460.930 2.774 50 10 JFGE O=C(C=Cc1ccccc1)NNC(=O)c1cccc(C(=O)NNC(=O)C=Cc2ccccc2)c1 2297616251 LMYGXSSJHUUQJY-UHFFFAOYSA-N 454.486 2.635 50 10 JFGE CC(C)(CI)CN1CC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1 2306810674 VZTDVEXGIMLIFE-UHFFFAOYSA-N 451.393 2.932 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1OC 2313617063 AHWKAVJSUHDRCC-UHFFFAOYSA-N 465.531 2.971 50 10 JFGE Cc1nc(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)c(Br)n1C 2320659357 AFLAAWAQIXFJHD-CQSZACIVSA-N 450.786 2.984 50 10 JFGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338833891 RSDYPBHGUJQCAM-CRAIPNDOSA-N 487.416 2.657 50 10 JFGE CCN1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338867720 RFYNKXLPQWTNLU-NKWVEPMBSA-N 480.020 2.805 50 10 JFGE O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1I 32485091 DXCIHMHAUMHOHW-CQSZACIVSA-N 458.639 2.546 50 10 JFGE CC(C)[C@@H](OC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)N(C)C 729694530 JYPALLREQROBHX-RBNQXFGJSA-N 471.945 2.642 50 10 JFGE Nn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 1084023275 VCZZKMAKAAOECI-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE Cc1nc(I)c(NC(=O)[C@H]2C[C@@H]2Cl)c(I)n1 1991674437 DRDIKDZNNQENNT-WHFBIAKZSA-N 463.444 2.560 50 10 JFGE CC1(C)[C@H](Br)CC[C@H]1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2026149446 WAGYFONKIVSJKP-HZPDHXFCSA-N 457.390 2.934 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2163053249 LTDDKJSSRUQPCR-MUJYYYPQSA-N 466.442 2.953 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2282802066 NBAUXTDQTSVMNV-WOFXILAISA-N 454.077 2.912 50 10 JFGE Cc1cccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 1084291462 AHNKZOKAGNWYIA-UHFFFAOYSA-N 452.470 2.772 50 10 JFGE CSCC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(SC#N)cc1 1867238263 YUDFULZGEXEOPQ-GOSISDBHSA-N 478.621 2.706 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)CI 1983326535 BHFDJNDZBDIGSP-QWHCGFSZSA-N 458.362 2.963 50 10 JFGE CN(C1(CBr)CCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542314 UXQKGWCRJFEIEW-KRWDZBQOSA-N 461.353 2.590 50 10 JFGE CC(C)(C)OC(=O)NCC[S@@](=O)(=NS(=O)(=O)CI)c1ccccc1 2007718540 GPUHFCJUBSRZAS-QHCPKHFHSA-N 488.369 2.761 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]1C1CC1 2067020301 JQAHPFDNIQYBKR-GJYPPUQNSA-N 473.364 2.588 50 10 JFGE O=S(=O)(C[C@H](Br)c1ccc(F)cc1I)N1CCOCC1 2145640767 BXKRGEHSMJKMRA-NSHDSACASA-N 478.121 2.528 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179956174 LFLXKTURZAMTDV-DLBZAZTESA-N 467.376 2.712 50 10 JFGE C[C@H](CCl)CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2244740693 JNXOWGPSYKOFHI-CQSZACIVSA-N 470.032 2.637 50 10 JFGE Cc1ccc(NC(=O)C(=O)NCc2ccc(C=C(C#N)C(=O)NCc3cccnc3)o2)cc1C 2297552339 NUKZLMZFUPQZTE-UHFFFAOYSA-N 457.490 2.770 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)C(F)(F)C1 2316827093 NPDDLIFKNPMPOO-HNNXBMFYSA-N 479.343 2.887 50 10 JFGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1OC 2317605251 JHTAFOXSYUQNIF-QFIPXVFZSA-N 474.322 2.631 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@]1(CBr)CCCOC1 2364006425 GAZAPCAYIYYKLN-LBPRGKRZSA-N 473.991 2.867 50 10 JFGE COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2nc(=S)[nH]c(O)c21 2417126 GUKLGOGBDDMCFW-CLTRCRFRSA-N 451.508 2.858 50 10 JFGE Cn1cc(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c2ccccc21 10736440 AKLOZCKHHIXOSW-SANMLTNESA-N 469.501 2.560 50 10 JFGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623406 JKCRQOINKMQVTG-SFHVURJKSA-N 452.580 2.668 50 10 JFGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629903 PFMYXWJTOCKHKH-ZDUSSCGKSA-N 464.316 2.641 50 10 JFGE O=C(NNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccc(Cl)cc1 27063562 ASRGQJKAXUULRJ-UHFFFAOYSA-N 454.895 2.976 50 10 JFGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccco2)C1 34688956 LTWHQPOXHJTUBD-ZJYZBMPFSA-N 489.532 2.599 50 10 JFGE Nc1c(NCCN2CCCCC2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40756389 PAEBJQUPNVTCEY-UHFFFAOYSA-N 454.362 2.786 50 10 JFGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc2c3c(cccc13)CC2 59464013 IXKIFEKTMSYZSC-WYMPLXKRSA-N 451.504 2.583 50 10 JFGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 252589432 AKTDCRSGWPFOSN-UHFFFAOYSA-N 481.372 2.714 50 10 JFGE COC(=O)[C@H](Br)CNC(=O)c1ccc(I)c(Br)c1 721606826 BBAODPTXVKZXIP-MRVPVSSYSA-N 490.917 2.720 50 10 JFGE C=C(C)CONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1300219589 HWKHSKXSZJUZLC-OQLLNIDSSA-N 458.316 2.719 50 10 JFGE COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 1860773619 CHCZLXNHERARPA-LHMJKJCTSA-N 485.522 2.917 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC(CBr)CC1 1942096328 AIBOWBGKMQRHEQ-UHFFFAOYSA-N 457.390 2.890 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(F)CCC(CBr)CC1 2058309569 ORZFMTDTTLWNHC-UHFFFAOYSA-N 475.380 2.886 50 10 JFGE C[P@]1(=O)C[C@@H](Br)[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 2121336402 GLJHGJSRIREEJC-OYHJMPOTSA-N 458.030 2.865 50 10 JFGE COC(=O)[C@H](CCCl)NC(=O)c1cc(I)ccc1Br 2139584091 NGRAPOSNLKEDIN-JTQLQIEISA-N 460.493 2.954 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204525526 LWMMRTVZRGBYHW-ZWKOTPCHSA-N 454.390 2.574 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2248395397 LBNCQKVETAIZJE-QHCPKHFHSA-N 478.379 2.607 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 2313617116 GJVJJGUVURTRLO-UHFFFAOYSA-N 458.515 2.678 50 10 JFGE COCC[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824238 KEACOEHLKXUZAE-HNNXBMFYSA-N 475.405 2.562 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2355844929 HARJQPLNPIAKSJ-AABGKKOBSA-N 457.434 2.857 50 10 JFGE Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c(Br)c1 14033945 LNMDHQRFQXOBKF-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14034412 MGFBTZKKDJQLJQ-UHFFFAOYSA-N 470.595 2.844 50 10 JFGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14647334 CFOQBZIEZXGCKY-UHFFFAOYSA-N 452.261 2.986 50 10 JFGE O=C(CN1CCOCC1)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 59247188 ZYSBAKXRBFGADQ-FSJBWODESA-N 450.308 2.950 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084246563 YLQFIDKPNAPIAV-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687259 NFEOQMIIDBXVAH-SFHVURJKSA-N 493.486 2.860 50 10 JFGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1866131725 KQFHGJQIWIOADR-CECLQJIQSA-N 493.317 2.756 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCCCCI 1936747093 YUZOKTNUFSAYAP-UHFFFAOYSA-N 492.379 2.978 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(CBr)CCCOC1 2089701737 WMYCQRAKRRHAMD-HXUWFJFHSA-N 487.416 2.564 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCC[C@H](CBr)C1)C2 2179811684 JOSRMKGDPATYBY-HSALFYBXSA-N 456.450 2.792 50 10 JFGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cnn(CCBr)c1 2179813826 WZYQUSVPPSWDQS-KRWDZBQOSA-N 455.422 2.952 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296731348 PTVQUYSTUPLCRZ-WOJBJXKFSA-N 471.561 2.882 50 10 JFGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(OC)c1 2314741165 UNRZFIPCLLUXBI-UHFFFAOYSA-N 484.421 2.709 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 13976616 MPQCUJFDBOHJLP-NYYWCZLTSA-N 464.341 2.572 50 10 JFGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14660361 YTSJWKGJQRJGNT-UHFFFAOYSA-N 466.357 2.951 50 10 JFGE C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/NC(=O)c1ccccc1O 100844315 RKBTYJIELBTCRY-FRYIGISESA-N 453.476 2.659 50 10 JFGE CCCCOc1ccc(C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1OC 769341221 QUVSTYSAHCDTAO-UHFFFAOYSA-N 456.499 2.866 50 10 JFGE CC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084119181 GVBDJPBHAAXUSG-UHFFFAOYSA-N 465.531 2.780 50 10 JFGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c1O 1084337320 SQYJWFNECOHEQK-UHFFFAOYSA-N 452.540 2.821 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C)cc1 1084424977 NHVKYALGAGQODG-SLNYWTKHSA-N 470.016 2.982 50 10 JFGE C[C@@H](O)CC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084614605 JOFOKWUUXYSKKV-CYBMUJFWSA-N 463.275 2.963 50 10 JFGE C[C@H](C(=O)NNC(=O)c1ccc(F)c(F)c1F)n1cnc2sc3c(c2c1=O)CCCC3 1860772391 XHXAHCMTACYFNJ-SECBINFHSA-N 450.442 2.776 50 10 JFGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2008892795 PZTAASQQBQXZIP-ZDUSSCGKSA-N 471.295 2.650 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1 2009714324 OKFXPJJXQWNXHJ-XMMPIXPASA-N 458.323 2.868 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)C2(CC2)C1 2032260093 OPNVHGNEZCMAJD-MRXNPFEDSA-N 469.401 2.888 50 10 JFGE CC(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2062183806 QFIXFRLDIQARKL-FCEWJHQRSA-N 475.380 2.834 50 10 JFGE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106779396 NPFUGJBBJUBRDU-ZIAGYGMSSA-N 454.431 2.668 50 10 JFGE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N(C)S(=O)(=O)N1CCC(Br)CC1 2107340451 FLSLCZWRZLQIHB-DZGCQCFKSA-N 454.431 2.668 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2CC[C@H](Br)[C@H]1C2 2108226976 CEWBJKAGDIFRSA-IULIOSHDSA-N 487.391 2.979 50 10 JFGE COCCN(CCOC)S(=O)(=O)c1cc(CBr)sc1Br 2179790372 CUUFSYDRMSXREP-UHFFFAOYSA-N 451.202 2.689 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCOCC1 2195499564 UQMPOMOTBMVHBH-MRXNPFEDSA-N 456.992 2.652 50 10 JFGE Cc1cc(B(O)O)c(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 2248890559 BCWVGMVRJDSBQE-UHFFFAOYSA-N 478.379 2.671 50 10 JFGE O=C(NOCCCNC(=O)c1cc(Cl)ccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255505037 VDGLAKHPHKUAQJ-UHFFFAOYSA-N 494.740 2.610 50 10 JFGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2257380643 MBGZCAYYSICWKQ-SFHVURJKSA-N 472.350 2.863 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC1(CBr)CC1 2301118015 WEXGQMFDEOYNRU-UHFFFAOYSA-N 457.390 2.938 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 2313616938 BUVGANTVRDFXEW-UHFFFAOYSA-N 478.368 2.880 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 12339692 FSLKNVJZUZSDSY-HHXXYDBFSA-N 450.630 2.571 50 10 JFGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(C)=O)n2-c2ccccc2)cc1 59844888 SVXNQQHUPTWLAW-OAHLLOKOSA-N 454.556 2.926 50 10 JFGE CCC(CBr)(CBr)NC(=O)c1cnn(C)c1I 383138022 WTEZVUONRBIVCS-UHFFFAOYSA-N 478.954 2.693 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H](Br)c1ccccc1 703975210 VLRUNUFBGGWCBL-KRWDZBQOSA-N 451.342 2.728 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2nc3ccncc3s2)cc1 1642470505 VNSWCCCRTCZONJ-KRWDZBQOSA-N 459.553 2.580 50 10 JFGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)C1 1860770556 NEIPWMASGUDPRK-VXGBXAGGSA-N 480.999 2.807 50 10 JFGE CC(C)[S@@](=O)(=NS(=O)(=O)CI)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1986106738 MSKCUUNOHGZEIC-BGJPBQGDSA-N 480.390 2.595 50 10 JFGE CC[C@H]1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CN1C(=O)OC(C)(C)C 2106295158 DPQUGNHVQFYNDU-CABCVRRESA-N 454.431 2.858 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 2108234846 RXCDPXQLZQFAPS-KUHUBIRLSA-N 487.391 2.980 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178084509 ZDZRKPPPBNYNHX-QWRKXWFKSA-N 454.077 2.912 50 10 JFGE CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14020716 MFUHGHOTOMHEBV-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(C)ccc21 38180223 PEHJVTXNCMJDOT-PLRJNAJWSA-N 457.328 2.764 50 10 JFGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)=C/c1ccccc1 263627730 LAAQBZOWMLXNGF-IYRSNUOPSA-N 459.426 2.627 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1 789744113 NFKZLYJIDURRET-UHFFFAOYSA-N 458.565 2.670 50 10 JFGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1312853451 SJYJJELTEMMCLZ-FQEVSTJZSA-N 456.568 2.603 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2nc3ccncc3s2)cc1 1642470506 VNSWCCCRTCZONJ-QGZVFWFLSA-N 459.553 2.580 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCBr)Cc1ccsc1 1981026165 LYGJONYVYGXDFB-UHFFFAOYSA-N 457.371 2.571 50 10 JFGE O=C(Nc1c(I)ncnc1I)C1CC(Cl)C1 1991698595 QTGGPZCDFSJJFC-UHFFFAOYSA-N 463.444 2.642 50 10 JFGE CC(C)(CBr)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541726 SXIPQWPINKZYAA-GOSISDBHSA-N 463.369 2.741 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@]23CCC[C@@]2(CN(Cc2ccccc2)C3)C1 2179869435 XVNFOJPALNEINY-WOJBJXKFSA-N 456.450 2.936 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2179870454 LZPPMYOJSSCLSW-SJLPKXTDSA-N 453.406 2.980 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2257371973 DTKWCJJWMYAVAI-UHFFFAOYSA-N 470.334 2.526 50 10 JFGE COc1cccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3ccccc3OC)C2=O)c1 2296753650 VVEPMBROARXQCF-UHFFFAOYSA-N 471.560 2.756 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CC[C@@H]1CBr 2301114358 YZQTYGRGKNSZON-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE O=C(C=Cc1ccccc1)NC(=S)NNC(=O)c1ccccc1I 2313517997 BUIGHMBMRFVUQG-UHFFFAOYSA-N 451.289 2.640 50 10 JFGE COc1ccc(C(=O)NNC(=O)C=Cc2ccccc2OC)cc1I 2313620977 FAUPJQXSEIXFNM-UHFFFAOYSA-N 452.248 2.783 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](CBr)[C@@H](F)C1 2316826296 XVTGMPBAMYFPFY-YOEHRIQHSA-N 475.380 2.838 50 10 JFGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C1 10736610 RLCGSWYHOPKUDK-IAGOWNOFSA-N 468.579 2.920 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC1CC1 688388779 JDCDHMCBTTXYNM-UHFFFAOYSA-N 457.390 2.746 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@H]1Br 707365652 SQNXIPZBCVRNMZ-HZPDHXFCSA-N 457.390 2.934 50 10 JFGE N#CSc1ccc(NC(=O)CNC(=O)C[C@@H](c2cccc(Br)c2)c2nn[nH]n2)cc1 1868165431 PPDQQIKTBJJEKW-INIZCTEOSA-N 486.355 2.812 50 10 JFGE CCc1cccc(CC)c1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777675 OLMPSALBASPXCL-SFTDATJTSA-N 463.582 2.941 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C1CCCC1 1942097414 HRZNZYHPICFZRK-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE CC(C)C[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541866 JCWPNMCWXJCYAK-ACJLOTCBSA-N 463.369 2.740 50 10 JFGE CC(C)[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544203 YTBIQZJYXKVBMR-SCLBCKFNSA-N 463.369 2.597 50 10 JFGE C=CC[C@@H](CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2023604281 OCUPPSYFVOOJOA-AWEZNQCLSA-N 457.390 2.815 50 10 JFGE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106305011 KYHDGZGENXSZSS-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE CCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106777284 RGAUSBVPUSPZQF-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE CN1CCN(C(=O)c2ccc(I)c(O)c2)[C@H](CCBr)C1 2202835180 QXAOMYQQVAIVNL-LLVKDONJSA-N 453.118 2.538 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2256629060 PVLLTKYSTWPQRL-FYSMJZIKSA-N 492.406 2.998 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2264706514 RNDYROJKUMVBKY-HOTGVXAUSA-N 487.416 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CBr)C1CC1 2301116967 KSIIMERNKADGSB-QGZVFWFLSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@]2(C[C@H](Cl)CO2)C1 2364190487 NIBVVYHGADIDRM-KKSFZXQISA-N 454.976 2.645 50 10 JFGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 9826230 JAWBETHEAMNDTM-UHFFFAOYSA-N 496.383 2.822 50 10 JFGE CCCC=C(C(=O)NN=Cc1ccccc1[N+](=O)[O-])C(=O)NN=Cc1ccccc1[N+](=O)[O-] 254301331 FTQXDTIXAVPKKW-UHFFFAOYSA-N 452.427 2.830 50 10 JFGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254515778 MWVLJGWDJCOGQR-CALCHBBNSA-N 464.522 2.955 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NC(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 916761444 JMNIXRFQINVDGN-FVIRYLMMSA-N 455.536 2.899 50 10 JFGE C[C@H](Sc1ccccn1)C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083919477 WVTZWTFGQITBHM-INIZCTEOSA-N 499.552 2.726 50 10 JFGE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872960581 FHKXQKJMUUKPHO-DLBZAZTESA-N 455.946 2.778 50 10 JFGE O=C(CCCCl)Nc1c(I)ncnc1I 1974852970 WTVAPUVBHFAVLP-UHFFFAOYSA-N 451.433 2.643 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](CO)C1 2018269993 DHOFBBXTHAZNPV-LDTOLXSISA-N 479.665 2.675 50 10 JFGE CN(C)[S@](=O)(=NC[C@H](Br)C(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2106781901 LYLCRSPIVWDEKX-KPHLJTLVSA-N 467.352 2.725 50 10 JFGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1nc(C)n(C)c1Br 2136492591 PVWZRPLIBMKDBG-CBAPKCEASA-N 464.167 2.619 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@]2(C)CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2163053149 KUXYWTHPWXKGNB-HDICACEKSA-N 466.442 2.669 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2248892465 BDAVBAPHSSKXGZ-UHFFFAOYSA-N 479.729 2.671 50 10 JFGE CCn1nc(C(=O)NNC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)c2ccccc2c1=O 14887814 VCLSKNSYXRFDDP-ZHACJKMWSA-N 456.934 2.705 50 10 JFGE O=C(NNc1ncnc(N2CCC(C(=O)O)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658838 WVDLVSDLNODMNK-UHFFFAOYSA-N 455.258 2.750 50 10 JFGE COc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41013105 JVVIPQMLLHIFEI-AQPIEGPOSA-N 473.485 2.982 50 10 JFGE CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 96602576 INSXQZZQIZXYOJ-LYUVJKPTSA-N 463.288 2.968 50 10 JFGE CC(=O)c1cccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 217243234 AMPWLNZAPFDYHJ-SILNSSARSA-N 452.536 2.550 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1ccc(Br)cc1Br 234594727 ITULAYLTOGVYEQ-SECBINFHSA-N 490.917 2.918 50 10 JFGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(Br)c(OC)cc2OC)c1C#N 252607586 HCWDMIMACQORPM-UHFFFAOYSA-N 477.315 2.717 50 10 JFGE Cc1cc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c(C)c1 254750118 YIXNPWIEFULDLV-UHFFFAOYSA-N 465.562 2.686 50 10 JFGE O=C(CCn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 765863328 NDLYGKDHFMLACW-UHFFFAOYSA-N 460.465 2.966 50 10 JFGE Cc1nc(C)c(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1C(=O)NN=Cc1ccc2c(c1)OCO2 1772721631 RIEYSVWNTAULFZ-UHFFFAOYSA-N 487.472 2.684 50 10 JFGE CC[C@H](C)[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2023035351 IMVAMICPLUCKPI-XLWVJDPXSA-N 463.369 2.740 50 10 JFGE CSCC[C@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026308 QCMQZWZGOYMTFF-ACJLOTCBSA-N 495.436 2.837 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@@](CBr)(C(F)(F)F)C1 2111394677 PIOXMOZIBUWZTM-HNNXBMFYSA-N 457.312 2.782 50 10 JFGE C[C@@H](CCCCCI)NS(=O)(=O)c1cc(Br)nn1C 2117884501 XLVMCZKNSOULIU-VIFPVBQESA-N 464.167 2.845 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179814802 HYXVYCFBPTWBGE-AQNXPRMDSA-N 456.450 2.792 50 10 JFGE CN([C@H]1CCN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)N1CCC(Br)CC1 2185894530 XKAMEQGGSPFNMW-HNNXBMFYSA-N 466.442 2.812 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 2188882232 DNZFCYMFDZGUOL-AABGKKOBSA-N 456.450 2.935 50 10 JFGE Cn1ncc(Br)c1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303541206 VSUDELCFNCJBTI-ZDUSSCGKSA-N 481.210 2.831 50 10 JFGE N#C/C(=C/c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2205945 QKSUYALLEVTMQH-LGMDPLHJSA-N 456.911 2.523 50 10 JFGE O=C(CCl)N1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 33408523 FPSYLLFABLCPJT-IBGZPJMESA-N 456.395 2.743 50 10 JFGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-] 40647346 SXJKFQVOAPOQPS-UHFFFAOYSA-N 489.246 2.880 50 10 JFGE Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)NN=Cc1ccc(F)c(Br)c1 253683660 QHZGUTDUDHGLAQ-UHFFFAOYSA-N 471.250 2.565 50 10 JFGE C/C(=C/C(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccc(C(F)(F)F)c1 1566973791 NGYVEWVRTUVHFB-XFXZXTDPSA-N 455.296 2.935 50 10 JFGE CCCCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963083 YXXSEIWOTXOWKA-PMACEKPBSA-N 479.581 2.995 50 10 JFGE O=C(N[C@H]1COC[C@@H]1Br)c1ccc(Br)cc1I 2026221543 MMGQSQNLPIEZJE-WPRPVWTQSA-N 474.918 2.946 50 10 JFGE COCC(COC)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179790398 DCDUHKQEQIJYER-UHFFFAOYSA-N 451.202 2.687 50 10 JFGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2256617423 JXLOTZVGYHUTMC-FYSMJZIKSA-N 473.338 2.653 50 10 JFGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)cc1 2296546092 LYMBHAGMRVKOLS-ROUUACIJSA-N 464.547 2.955 50 10 JFGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=Cc1ccccc1 2297469683 OOOVHJVNNXBHOU-UHFFFAOYSA-N 463.546 2.816 50 10 JFGE COc1ccc(C(=O)NNC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1I 2313854842 OWBPALUIFCITEC-UHFFFAOYSA-N 467.219 2.682 50 10 JFGE COc1cc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 2325903348 CHCZLXNHERARPA-VXGBXAGGSA-N 485.522 2.917 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2CCC[C@@H]21 2341947477 HGUYUBMCYDKOOX-GJZGRUSLSA-N 452.415 2.564 50 10 JFGE COc1ccc2ccccc2c1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C 254379984 BTPZAKWTXZVHIS-HNNXBMFYSA-N 489.540 2.533 50 10 JFGE O=C([C@@H](Br)Cc1ccccc1Br)N1CCN(c2ncccn2)CC1 1858181540 WINQHAHNXICFHD-HNNXBMFYSA-N 454.166 2.894 50 10 JFGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 1865757067 LNUKXUHKTGMEBZ-UHFFFAOYSA-N 464.428 2.783 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CC1 1942800896 HXKYTDSHBRQJOR-CQSZACIVSA-N 457.390 2.792 50 10 JFGE CC(C)(C)N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533213 PNGIYKSBIKPPJF-SFHVURJKSA-N 463.369 2.836 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CBr)CC12CCC2 2036646672 BFFHELYAOBIQRS-HXUWFJFHSA-N 469.401 2.938 50 10 JFGE CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2106298820 QXXPIQBXAQSILR-GASCZTMLSA-N 454.431 2.858 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189044807 SBUZEDWAHXZJEY-JYAVWHMHSA-N 450.114 2.702 50 10 JFGE Cc1cc(B(O)O)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1Cl 2282261424 BBYREKBMCBUFJA-UHFFFAOYSA-N 478.785 2.529 50 10 JFGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCCN1CCOCC1 2295672267 HSOWPCLFHXJFMJ-UHFFFAOYSA-N 452.467 2.860 50 10 JFGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 102668009 QTGLIOANOQZSKG-GPNJXQOMSA-N 464.528 2.538 50 10 JFGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCCN1CCCC1=O 217253637 ZIVQWKXBJBIFHH-OWBHPGMISA-N 452.296 2.548 50 10 JFGE COc1ccc(CC(=O)NN=C(C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 1084373233 XTBFRXFBZBFYHM-UHFFFAOYSA-N 465.510 2.803 50 10 JFGE COc1ccc(N(CC(=O)NN=Cc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084429418 IFOBVXSQJFDESK-UHFFFAOYSA-N 468.535 2.753 50 10 JFGE CC(=O)C1CCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1634026017 YALMKXTYQAOHTJ-PDGQHHTCSA-N 453.930 2.813 50 10 JFGE CC[C@H](C)[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546285 ZFFRQSVOJWKASR-PNPHSEOMSA-N 463.369 2.740 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@@H]21 2000613762 OEYXVWXRQSXYBI-KEYYUXOJSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2008989656 AFNDKOCRYGIICE-GRDNDAEWSA-N 455.374 2.640 50 10 JFGE C[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2115834111 XKLMIEKELNZWLX-KBPBESRZSA-N 454.431 2.716 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2162204207 LALCQYHYQDFJLA-WOJBJXKFSA-N 456.450 2.935 50 10 JFGE ClC[C@@H]1CO[C@H]2CN(c3ncc(I)cc3Br)C[C@H]2O1 2265015908 HCQNJBHDLLWZSF-DVVUODLYSA-N 459.509 2.660 50 10 JFGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268699266 FFJVLCTZQJSZAM-QGZVFWFLSA-N 476.766 2.767 50 10 JFGE O=C(NNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658417 GMKKWBUJZWKBMO-UHFFFAOYSA-N 488.420 2.960 50 10 JFGE COCCn1cc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cn1 59913898 QRKMMKIBZJOGIL-VULFUBBASA-N 490.593 2.965 50 10 JFGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 228923854 QTGLIOANOQZSKG-NXLNCYEBSA-N 464.528 2.538 50 10 JFGE CN(Cc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N)C1CCCCC1 254750580 DHMBLOQCTOXXEV-UHFFFAOYSA-N 491.478 2.780 50 10 JFGE COc1cc2c(cc1OCCCN1CCOCC1)[C@H](N[C@@H]1CC[C@H](F)[C@@H](Cl)C1)NCN2 607701839 AXALNSHFVCGQQS-OBUYZQBDSA-N 456.990 2.855 50 10 JFGE COc1cccc(S(=O)(=O)NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)c1 746467730 BKOAOZMHIATZPM-AQTBWJFISA-N 461.503 2.884 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccc2C(=O)O)cc1 1084339130 NBQPSGDYOJGPFE-UHFFFAOYSA-N 495.557 2.777 50 10 JFGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(OC)c1 1084440840 GNDIUVMHXRABHU-UHFFFAOYSA-N 470.555 2.794 50 10 JFGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748291 VXAADCFLDQCVTF-UHFFFAOYSA-N 474.359 2.604 50 10 JFGE CCN(CCCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531524 BVJCWWBCVWBENR-GOSISDBHSA-N 463.369 2.838 50 10 JFGE CCCCCC[C@H]1[C@H]2C3=C(C[C@@]4(C)C(=O)O[C@@]2(O)C4=C[C@@H]1[C@@H](O)C(=O)CCCC)C(=O)OC3=O 2080455786 OUGYUPZNFMDUCQ-YAOPLIKOSA-N 474.550 2.901 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@H](Br)C2 2139708168 YRVNIWQDXBOLAV-YZKGYFAASA-N 487.391 2.882 50 10 JFGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)Cc1ccccc1I 2178898706 UIQYUNYQIPYOJR-QWHCGFSZSA-N 451.146 2.760 50 10 JFGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1CBr 2179813998 XLHWFWHGBPADQR-DLBZAZTESA-N 453.406 2.756 50 10 JFGE O=S(=O)(c1occc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179827767 IYAYRIASCMHZIX-ZWKOTPCHSA-N 455.374 2.839 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2269551418 YPSDLRVXUCTTBK-UHFFFAOYSA-N 484.361 2.963 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2364210719 GEAGKUJCGFFVOJ-IPELMVKDSA-N 499.427 2.515 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C[C@]1(CBr)CC1(F)F 2379982545 ZLYDYOVDTUSUGR-MRXNPFEDSA-N 452.340 2.608 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccccc1C 12503289 SKZPDZJISLIJLC-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 12578871 IGTBOPFWLXMPOZ-UHFFFAOYSA-N 454.464 2.779 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999400 UGNSNTYYEJFCIQ-UHFFFAOYSA-N 498.605 2.873 50 10 JFGE C/C(=N\NC(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc(N2CCOCC2)cc1 35669502 MNMDAVYZWWTWFG-SDCCPTSOSA-N 463.586 2.736 50 10 JFGE CCn1c(SCC(=O)NN=Cc2ccc(O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 254808237 NMBPPDQPYTYPIQ-UHFFFAOYSA-N 471.539 2.939 50 10 JFGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(=O)O)c2ccccc2OC)cc1 254847934 FCEXQKOHNFCCEF-UHFFFAOYSA-N 497.529 2.748 50 10 JFGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)O[C@H](C)C2 730468668 FJMXXXWKCWMYNW-RPVQJOFSSA-N 470.522 2.999 50 10 JFGE C=CCn1c(S)nc2cc(C(=O)NNc3cc(Cl)nc4c3c(C)nn4C)ccc2c1=O 1651193740 VDBWAZYXPWZPTC-UHFFFAOYSA-N 455.931 2.872 50 10 JFGE COc1ccc(/C=C(\C#N)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 1866130306 NJANWAMXWUVSSE-LFIBNONCSA-N 491.953 2.924 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CC1(C)C 1878884098 QHMIXFZQVBWVCT-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE Cn1nnc(Br)c1S(=O)(=O)N(Cc1ccccc1)C(C)(C)CBr 1915767638 YGVQNBVPTDJIRK-UHFFFAOYSA-N 466.199 2.942 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2046030428 YHZWLMNFSIQUIM-KXBFYZLASA-N 475.380 2.836 50 10 JFGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)c1cnn(CCBr)c1 2179815985 PDCLLYFBJDGIRU-SFHVURJKSA-N 455.422 2.811 50 10 JFGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CCOCC12CCN(Cc1ccccc1)CC2 2179830135 IHEZBBBNJWYZHS-WGSAOQKQSA-N 457.434 2.857 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@H]1C1CC1 2198269078 DNJKANCMESTUKG-CVEARBPZSA-N 466.442 2.858 50 10 JFGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccc(F)cc1 12730515 JIVJNOHXXSKWSA-UHFFFAOYSA-N 483.521 2.938 50 10 JFGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3cccc4ccccc34)c2[N+](=O)[O-])CC1 40658766 DSJUVEXXDPJVBF-UHFFFAOYSA-N 465.470 2.573 50 10 JFGE Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40784468 CGEFAOFSENSOHH-UHFFFAOYSA-N 481.944 2.520 50 10 JFGE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)CC1 40815930 RTQYYWDXLIFVAA-LGUFXXKBSA-N 467.522 2.849 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1 207298251 GXBZKLYQXSQOKZ-BOPFTXTBSA-N 469.450 2.566 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 1671437984 FDSDOOFCOHRUGD-HLLBOEOZSA-N 455.515 2.518 50 10 JFGE CC(C)=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858958356 ALJYJAPFEDNNOC-UHFFFAOYSA-N 451.432 2.794 50 10 JFGE C[C@@H](CCCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540616 PPTTUVVWFYNZIK-UGSOOPFHSA-N 463.369 2.741 50 10 JFGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2018682143 FNNASQKIOPBDKG-KUHUBIRLSA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 2029705214 WKQMHUBKWLKDDI-CYBMUJFWSA-N 479.343 2.745 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2199775630 KEEZRERBXZLZOB-BMGDILEWSA-N 499.427 2.513 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)C[C@H]2CC[C@H]1C2 2268552762 XLRSLLIAGWFTEV-AFHBHXEDSA-N 487.391 2.884 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2296557200 YCTRAXLWRQMRNO-VXKWHMMOSA-N 495.630 2.551 50 10 JFGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1C 13976294 CZWSPKZBQNZGEB-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1c(OC)cccc1OC 41011942 WIQMPOMOKOAKEM-GHRIWEEISA-N 452.463 2.697 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1ccc(I)cc1Br 300897706 JGOVCWILFLGHFI-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]1C2 709868392 NRHSGMHTZKYDPS-SOUVJXGZSA-N 469.401 2.886 50 10 JFGE Cn1cc(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)c(Br)n1 714088020 GSRHUIAHFRXQAL-JTQLQIEISA-N 493.059 2.936 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)cc2C)c1 1545924662 KVSOZZQHLHDYOV-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 1633773751 SNMUIOIPFRZLFB-OAHLLOKOSA-N 454.556 2.747 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2nc3ccc(Cl)cc3s2)c1 1642293296 UTOPTNDWVKBOHT-UHFFFAOYSA-N 452.945 2.964 50 10 JFGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1cc(Br)nn1C 1916333353 SALYJHZODFIIQK-CYBMUJFWSA-N 481.210 2.783 50 10 JFGE CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H](CN(S(=O)(=O)CI)C1)C2 1992838940 RBAHLBDMPHEWOS-DOMZBBRYSA-N 458.362 2.726 50 10 JFGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cnn(CCBr)c1 2179808443 IJOGOFSGXPETGA-ZACQAIPSSA-N 455.422 2.950 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2268681724 VSVMQTLFYZSKTK-AREMUKBSSA-N 486.377 2.588 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2269548395 RKRCVAZLHXZTHD-UHFFFAOYSA-N 484.361 2.568 50 10 JFGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 2325051743 RXHINKLRHWPVIT-GOSISDBHSA-N 478.549 2.835 50 10 JFGE NNC(=O)c1ccc(COCc2ccc(I)c(Br)c2)o1 2377634891 PZMWFBWSKPYPQH-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE O=C(N/N=C1\C(=O)Nc2ccccc21)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15015348 QURFWKGIJFQYTA-ZHZULCJRSA-N 455.430 2.838 50 10 JFGE COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCCCC1 20074782 YHFSQWRVEITBMH-ZVHZXABRSA-N 470.482 2.524 50 10 JFGE COc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2Cl)cc(Br)c1O 34981912 BKJGCFPTECIKMS-UHFFFAOYSA-N 484.734 2.788 50 10 JFGE COc1cc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c([N+](=O)[O-])c(OC)c1OC 35314500 XYYFXRWJVBNQCC-IFRROFPPSA-N 482.243 2.876 50 10 JFGE COCCOCCOCCO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 394255170 FDLYDMKJGWJVFD-SFHVURJKSA-N 487.375 2.887 50 10 JFGE CN(C)C(=O)Cn1cc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 727316444 AJRIRQXAJVUTTP-LICLKQGHSA-N 476.928 2.948 50 10 JFGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1nc(N(CC)CC)nc(N(CC)CC)n1 1142246206 AVVFAPQXEZQZLW-MRXNPFEDSA-N 452.563 2.522 50 10 JFGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 1463828139 KOCALCZPLJTCPE-UHFFFAOYSA-N 457.284 2.882 50 10 JFGE CC(C)CN1C(=O)C(=NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1772719634 HJBLCOVJGIRMOS-UHFFFAOYSA-N 451.483 2.628 50 10 JFGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770707 SXGULIFOQDBVEH-NSHDSACASA-N 496.998 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC1(F)CC(CBr)C1 2049630467 ZQXJTVONOAVJBP-UHFFFAOYSA-N 475.380 2.886 50 10 JFGE C[C@@H](SSc1ccccn1)c1ccc(C(=O)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)cc1 2060423872 SGQWPSICPJSFKC-BXUZGUMPSA-N 468.534 2.670 50 10 JFGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2132461480 NDKJZHIUHWGGTA-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2301117597 RLOPVCVGFIQORX-PBHICJAKSA-N 457.390 2.888 50 10 JFGE CCN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 2324606056 QNZJYZGPPLGILB-RUZDIDTESA-N 492.645 2.837 50 10 JFGE CCOc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325302160 BVXXUPYOYMDSKQ-UHFFFAOYSA-N 454.552 2.746 50 10 JFGE COC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 10454806 QGAXFWCBKJZLEB-UHFFFAOYSA-N 486.116 2.838 50 10 JFGE O=C(CCSc1ccc(F)cc1)NNC(=O)CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1 12681663 AGCRWENANLYQKS-UHFFFAOYSA-N 480.525 2.510 50 10 JFGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 13978816 IJMJWSNDMWQGKM-UHFFFAOYSA-N 492.557 2.970 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc(F)cc3)c2[N+](=O)[O-])cc1OC 40583756 GNLUJXAOOVFYSY-UHFFFAOYSA-N 456.434 2.953 50 10 JFGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58990472 CHJXDFZXGDMEPJ-WSDLNYQXSA-N 484.498 2.806 50 10 JFGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217157909 FECFDPCYRKCZDK-MNDPQUGUSA-N 462.506 2.756 50 10 JFGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1C 254486213 WVIZPWUQOPWPGU-UHFFFAOYSA-N 476.497 2.591 50 10 JFGE CCOc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 254879225 GYPZHMMNOKGJEX-UHFFFAOYSA-N 468.554 2.502 50 10 JFGE O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cc(F)ccc1Br 728547271 PXVVFNKRHSBAAR-CQSZACIVSA-N 490.376 2.654 50 10 JFGE COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)COc3ccc(O)cc3)sc2=O)c1 1772719934 WKDWRCRKXNYJML-UHFFFAOYSA-N 475.910 2.633 50 10 JFGE O=C(NCC(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)c1ccc(Cl)cc1Cl 1873777566 KSKKZRRQUVJUOF-ZDUSSCGKSA-N 450.326 2.500 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@@H]1Br 1893137602 VQWHTALJFBTLPW-PMPSAXMXSA-N 455.349 2.913 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCC[C@H](CBr)C1 1942095763 VTPKEEOUYGJCPC-GJZGRUSLSA-N 457.390 2.936 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2268601608 BFFYXSFYSOOWOL-SANMLTNESA-N 486.377 2.888 50 10 JFGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)NC(=O)NCc1ccccc1 2297364042 FMTCQGXOPFBSAI-UHFFFAOYSA-N 457.490 2.965 50 10 JFGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301133615 NVVNPDKNATYYFY-PBHICJAKSA-N 457.390 2.888 50 10 JFGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2325068346 UWTQUYFCYIFBIZ-IBGZPJMESA-N 468.579 2.595 50 10 JFGE CO[C@H]1C[C@@](CBr)(NC(=O)c2c(Br)c(Br)nn2C)C1 2338690863 LRQXYRKAFBTUSZ-JCJUMFQOSA-N 459.964 2.617 50 10 JFGE CCOCCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 14663635 ZZHYOGYYVCBAQM-UHFFFAOYSA-N 460.394 2.936 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1OC 40583758 QKOWSULQYUVXOB-UHFFFAOYSA-N 483.441 2.722 50 10 JFGE COc1cccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 254292293 SFSJLGYXOAZDPY-UHFFFAOYSA-N 464.511 2.687 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254629650 AKQFTXMGBYLGFN-UHFFFAOYSA-N 456.502 2.535 50 10 JFGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 726312325 GGTQUFMBRNVAHM-IFXJQAMLSA-N 494.967 2.903 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751687 JQHXYJIWNGMPGU-UHFFFAOYSA-N 484.509 2.821 50 10 JFGE C[C@@H](C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1865851471 CHIDDUHYUNPRKG-JTQLQIEISA-N 475.914 2.921 50 10 JFGE C[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(C)(C)CBr 2000539597 BDWRXDJPRPKLDN-XIKOKIGWSA-N 463.369 2.740 50 10 JFGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 2040420185 UXRLDGOKXBHBRF-UHFFFAOYSA-N 482.345 2.954 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CCNC(=O)OC(C)(C)C 2106776577 JMMNIXFRHMWUKN-KBPBESRZSA-N 454.431 2.573 50 10 JFGE C[C@H](CBr)CC1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2222864112 MPCVKEPRJLPJEA-AWEZNQCLSA-N 471.417 2.992 50 10 JFGE CO[C@@H]1CN(C(=O)c2sccc2I)[C@H](CBr)[C@H]1OC 2225083858 QQMWXPDPKFWNKK-OPRDCNLKSA-N 460.131 2.602 50 10 JFGE OB(O)c1ccnc(Nc2cc(Br)c(I)c(Br)c2)c1 2231677599 HBLPVMALKZEYSY-UHFFFAOYSA-N 497.721 2.635 50 10 JFGE COc1ccc(N2C(=NC=C(C#N)C(=O)NCCc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2296608224 BJBWQQADKZCSHN-FCHUYYIVSA-N 496.614 2.536 50 10 JFGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 9822118 YVEMMJPAVBIIAK-UHFFFAOYSA-N 466.357 2.814 50 10 JFGE CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 14042218 NTHRHOFZZLDWBL-UHFFFAOYSA-N 466.357 2.871 50 10 JFGE CCCc1c(C(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 254384949 AOLSJUJKMUSBGS-UHFFFAOYSA-N 464.461 2.667 50 10 JFGE O=C(c1cccc(F)c1I)N1CCN2C[C@H](Br)C[C@@H]2C1 721694222 XKEHCJHAYVXOQD-NXEZZACHSA-N 453.093 2.724 50 10 JFGE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NNC(=O)c1cccc3cccnc13)CC2 731118710 GFXIBPDYYITTGH-UHFFFAOYSA-N 491.548 2.561 50 10 JFGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084394821 JLVPIVBQSINEOK-UHFFFAOYSA-N 458.518 2.822 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c1 1154050712 VTAUFZOQRFVXGS-INIZCTEOSA-N 456.955 2.566 50 10 JFGE C[C@H](CCCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540612 PPTTUVVWFYNZIK-FZKQIMNGSA-N 463.369 2.741 50 10 JFGE O=C1CN(C(=O)c2ccc(Br)cc2I)CCN1CCCl 2207273333 UCHCJTXHHMXVPP-UHFFFAOYSA-N 471.520 2.577 50 10 JFGE O=C(N[C@H](CBr)C(=O)O)c1ccc(I)c(Br)c1 2303460255 ZPPDHKWVQFSSOV-MRVPVSSYSA-N 476.890 2.632 50 10 JFGE COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1I 12493367 MJPCNXDMGACMKD-WEVVVXLNSA-N 482.274 2.791 50 10 JFGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12572242 JOEPSEZZYRTBRZ-UHFFFAOYSA-N 491.367 2.512 50 10 JFGE CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 89914162 YIGDESHMFOSRAV-CLCOLTQESA-N 467.494 2.853 50 10 JFGE Nc1nonc1-n1nnc(C(=O)NN=Cc2c(O)ccc3ccccc23)c1COc1ccc(F)cc1 254287798 AYSJNGWMBABPJG-UHFFFAOYSA-N 488.439 2.573 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H](Br)c1ccccc1 703975213 VLRUNUFBGGWCBL-QGZVFWFLSA-N 451.342 2.728 50 10 JFGE O=C(NNC(=O)c1cc(F)ccc1Br)c1cccc(NC(=O)[C@H]2CCCO2)c1 728549713 RGGFRHRMGWAFOX-MRXNPFEDSA-N 450.264 2.781 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 1618045737 ISIFQBITIOERLX-UHFFFAOYSA-N 452.488 2.730 50 10 JFGE COc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 1860771448 WYRFSSOPEHZKFS-UHFFFAOYSA-N 479.474 2.503 50 10 JFGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1865759574 HMXSHRALXLWUQO-ZDUSSCGKSA-N 464.428 2.781 50 10 JFGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1 1865852005 MRCBXANBLROMBC-UHFFFAOYSA-N 467.438 2.634 50 10 JFGE CCCCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963088 YXXSEIWOTXOWKA-WOJBJXKFSA-N 479.581 2.995 50 10 JFGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 2106304202 CERKHJQKEWJYEF-CYBMUJFWSA-N 454.431 2.716 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2106776160 FIOCBBREFGIRLB-CXAGYDPISA-N 454.431 2.573 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2268652164 SADAFAOUIPFLOR-DWXRJYCRSA-N 486.377 2.936 50 10 JFGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296720369 YFCYASFNLDBCBM-IBGZPJMESA-N 492.557 2.568 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2C[C@]1(CBr)C2 2299803766 PYHAOZSHTFPPAN-DHFPXDALSA-N 455.374 2.642 50 10 JFGE OB(O)c1cc(Br)cnc1OCc1c(Br)cccc1Br 2366176475 CYYFUGZEZORFOK-UHFFFAOYSA-N 465.732 2.628 50 10 JFGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623069 KWGMNKLXXHRUNI-QGZVFWFLSA-N 474.355 2.641 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)Cc2ccccc2C)ccc1Br 14563304 WCPMZOISEXHFTN-UHFFFAOYSA-N 450.358 2.709 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 14657248 SQYYXADFBTXHED-UHFFFAOYSA-N 466.357 2.732 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)c(OC)c1 731169379 JEFNVBYWKBGZJZ-UHFFFAOYSA-N 454.504 2.753 50 10 JFGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)c1 1442491993 QEWMUEYOGRCWBT-UHFFFAOYSA-N 453.442 2.647 50 10 JFGE COc1ccccc1CCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1865852246 QGRPUWAESKEIOB-CQSZACIVSA-N 454.552 2.687 50 10 JFGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1873794139 VQTGGLPXZJLPPC-KBKYJPHKSA-N 493.472 2.916 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1CCC(Br)CC1 1942095137 NKAHFEQAHHCZFF-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC[C@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542515 KRDDIIBRIPAILS-ACJLOTCBSA-N 463.369 2.741 50 10 JFGE O=C(NCC12CC(CBr)(CO1)C2)c1cc(I)ccc1O 2159589645 UTERXXCPDXJDDP-UHFFFAOYSA-N 452.086 2.671 50 10 JFGE CC(C)[C@H]1CN(S(=O)(=O)c2cnn(CCBr)c2)CCN1Cc1ccccc1 2179812954 QWEYSLWONOZWHM-LJQANCHMSA-N 455.422 2.809 50 10 JFGE O=S(=O)(N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)N1CCCC[C@H]1CBr 2179813957 ZVSFCOAQUCHKMO-AABGKKOBSA-N 456.450 2.935 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CI)C[C@H]1C(F)(F)F 2242679626 OGZMMTNZZAYGRZ-IUCAKERBSA-N 472.267 2.629 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2257375884 ZECMRLWSHUUMKM-HSZRJFAPSA-N 473.338 2.653 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 2313864423 NOZNVHNMIODIFQ-UHFFFAOYSA-N 461.927 2.631 50 10 JFGE N#CC(=Cc1ccccc1)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 2320933883 OFDLFHOLRXLDFY-UHFFFAOYSA-N 454.533 2.863 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@H](OCCCBr)C1 2364015959 VATZLIKCTMJHSG-MRVPVSSYSA-N 473.991 2.961 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623061 RIPXVMODLQPPRW-QGZVFWFLSA-N 474.355 2.586 50 10 JFGE Cc1ccc(C)c(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)c1 13976191 TXEKMFRTOPGZJG-UHFFFAOYSA-N 462.959 2.776 50 10 JFGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011516 YUFWBGCTKDDOTP-UHFFFAOYSA-N 479.558 2.807 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59147381 SDHVSEHLJKJZFP-ZZIIXHQDSA-N 471.473 2.952 50 10 JFGE COc1ccc(COC(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59155444 LJCNRDXKKXNUPO-WEMUOSSPSA-N 498.495 2.969 50 10 JFGE COc1ccc(CCC(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)c(O)c1 1084486760 UMNKWMWOKARDCF-UHFFFAOYSA-N 450.539 2.686 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)Nc3cc(OC)c(Cl)cc3OC)cc2C1=O 1556340006 AJPPWOLULGPTKV-UHFFFAOYSA-N 458.858 2.606 50 10 JFGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003587542 CATNVKFSOVHBFE-LBPRGKRZSA-N 467.332 2.791 50 10 JFGE COc1ccc(C=C(C#N)C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2079471646 KPWICSBUSXQOPW-JOCHJYFZSA-N 454.490 2.896 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122799928 OBIIXLREKFJDBE-LSDHHAIUSA-N 487.416 2.513 50 10 JFGE CC(C)[C@H]1[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCN1C(=O)OC(C)(C)C 2126337242 RIFIHFPEZOOMQF-GJZGRUSLSA-N 454.431 2.714 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CBr)(O[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 2270091459 IUXYDMSZZGZRAB-CQSZACIVSA-N 455.415 2.592 50 10 JFGE CC(C)(CI)CN1CCNC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 2326666361 DPBLJBPXVNBMEP-SFHVURJKSA-N 465.376 2.649 50 10 JFGE C[C@H](Br)[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCO1 2338863407 JVHJVXUAUAQJGP-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Cl)C[C@@H]21 2364216793 RGQXFLBUCCDUOW-AYOQOUSVSA-N 454.976 2.643 50 10 JFGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)c1 33350918 OYZDFFKAHSTDLN-HKWRFOASSA-N 491.573 2.555 50 10 JFGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)c1ccccc1Cl 40784511 VKULRFNFINCULI-UHFFFAOYSA-N 476.722 2.989 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(N)=S)CCC2 40824623 SPOXVXSJVRMELQ-FSJBWODESA-N 484.365 2.608 50 10 JFGE O=C(NN=Cc1ccc(Br)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 252641988 ZHNNFSLGGFBJKZ-CQSZACIVSA-N 460.737 2.999 50 10 JFGE O=C(Cc1cccc(O)c1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 725879862 PIIDMQKTQJMASH-UHFFFAOYSA-N 459.911 2.850 50 10 JFGE C#C[C@H](CC)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1156824673 LNZGLGRBOSXOML-SPQRHKFCSA-N 454.328 2.623 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 2106989793 XTZLCRGZYHJPQK-DOMZBBRYSA-N 497.333 2.898 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C(F)(F)CC1 2162599863 GMQKJRFGTJPDQQ-CYBMUJFWSA-N 476.384 2.715 50 10 JFGE COc1cccc(NC(=O)C(C#N)=CN=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(OC)c2)c1 2297471446 NKNOCDMMDKGEQH-RTWAWAEBSA-N 498.586 2.825 50 10 JFGE CCN(CCOCCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338837142 OTTHEHCQBZHKSO-UHFFFAOYSA-N 489.432 2.906 50 10 JFGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501093 HTYRGDLPSNUQKB-UHFFFAOYSA-N 463.903 2.611 50 10 JFGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571087 IWMAOLAZCKWXRW-UHFFFAOYSA-N 466.357 2.546 50 10 JFGE COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 34705154 VJKKXRRFBSAMQR-JYRVWZFOSA-N 495.513 2.699 50 10 JFGE COc1cccc(OC)c1P(c1ccccc1S(=O)(=O)O)c1c(OC)cccc1OC 100413302 SQEMDHJKVIZTDQ-UHFFFAOYSA-N 462.460 2.726 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)cc1 101566623 ZHPFVYKDLSSBRE-UHFFFAOYSA-N 476.324 2.953 50 10 JFGE COc1ccc(C=NNC(=O)Cn2cnc3ccccc3c2=O)cc1COCC(F)(F)C(F)F 254405552 WVORUBMYBJGKFZ-UHFFFAOYSA-N 480.418 2.972 50 10 JFGE O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728064898 KFPLZVBDHQAEPH-UHFFFAOYSA-N 475.480 2.862 50 10 JFGE O=C(NNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc2cccnc12 731179292 ZRNFKQMOFAZQGI-UHFFFAOYSA-N 451.258 2.529 50 10 JFGE C#CC[C@@]1(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1630217677 LZBUDPDOTJHSHB-DEOSSOPVSA-N 451.527 2.939 50 10 JFGE C[C@H]1C[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1950506965 FCHVMOHEMOVPGF-UONOGXRCSA-N 457.390 2.744 50 10 JFGE C=CC[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2023598277 BFTJTGBLFHLPDT-UGSOOPFHSA-N 461.353 2.517 50 10 JFGE CC1(C)C[C@@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046037417 YSCIPTLPVGUWJO-YJYMSZOUSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](CCl)(C(F)(F)F)C1 2167690907 XZUIZYLOMBYWMX-IAGOWNOFSA-N 470.872 2.834 50 10 JFGE O=C(NCCNC(=O)c1cc(B(O)O)cc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 2267397166 BKWMPUGCMVTJSV-UHFFFAOYSA-N 498.266 2.654 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1Cc2ccccc2C[C@H]1CBr 2296513119 YUOMJECQLSSTSS-IBGZPJMESA-N 451.386 2.954 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1OCC(N)=O 2297382482 DWRNLPYELBMVFG-UHFFFAOYSA-N 470.913 2.595 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CN=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)cc1 2297471392 OCDNWTMMEJMLCF-VXKWHMMOSA-N 496.614 2.536 50 10 JFGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40645648 JPMGXPKUNCUMIB-UHFFFAOYSA-N 467.398 2.509 50 10 JFGE COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2c[nH]c3ccccc23)c(OC)c1 254846678 PDFYIFPOJYANGA-QHCPKHFHSA-N 491.504 2.507 50 10 JFGE COc1ccc(Br)c(C(=O)NNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 728529915 TZNOYBGTKLSAHK-KRWDZBQOSA-N 462.300 2.650 50 10 JFGE C[C@H]1CCC(C(=O)Nc2ccccc2)=C2NC=C(C(=O)NNC(=O)Nc3cccc(Cl)c3)C(=O)N21 1088659707 NIVKNIKLEAWEAU-AWEZNQCLSA-N 494.939 2.841 50 10 JFGE C#CC[C@H](CCOC)NC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1479062294 QTRYPLFAAWQKBA-QGZVFWFLSA-N 451.593 2.527 50 10 JFGE C=C(CBr)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1618540505 VJBAVLWHYVTOLK-IAGOWNOFSA-N 457.413 2.805 50 10 JFGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)cc1 1772746185 SFHYEPTWTZOXPR-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687136 KFNQARGWCXECIE-JOCHJYFZSA-N 467.570 2.793 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OCc1ccccc1 1873792577 LEPLLWHXMXOMQD-VULFUBBASA-N 458.474 2.840 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 1942097665 JGLPEIYVAHZQSS-PBHICJAKSA-N 457.390 2.888 50 10 JFGE C[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2106774059 OGDQNGSKXDNXLB-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE CN(C)[S@@](=O)(=NC[C@@H](CBr)C1CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2106782895 VAVWDPWDGXTHKT-WZQKQDCOSA-N 453.447 2.820 50 10 JFGE C[C@@H](CCCCCI)NS(=O)(=O)c1nn(C)cc1Br 2121904875 FAECGRNTRPTLFO-VIFPVBQESA-N 464.167 2.845 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2264706513 RNDYROJKUMVBKY-CVEARBPZSA-N 487.416 2.562 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2268609697 NEPLITUJHAGTIA-SANMLTNESA-N 484.361 2.819 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2OCC[C@]2(CBr)C1 2296352327 DUFQQMABWMWXPJ-HIFRSBDPSA-N 450.114 2.846 50 10 JFGE CC1(C)OC[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2338832890 GVEOJHOEJKLBIQ-DLBZAZTESA-N 487.416 2.703 50 10 JFGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364189498 AXHVPLRCCUTHFF-OAQYLSRUSA-N 499.427 2.825 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14662602 PPCZVPLHLCRYJV-UHFFFAOYSA-N 476.327 2.898 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596831 DWLLFCRAWDTSNR-NLRVBDNBSA-N 464.453 2.978 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=C(C)c3cccs3)nnn2-c2nonc2N)cc1 254905611 YGUIHSXMKXVTAA-UHFFFAOYSA-N 452.500 2.904 50 10 JFGE CCOc1cccc(-c2c(C(=O)NN=C3C(C)=CC(=O)c4ccccc43)nnn2-c2nonc2N)c1 254907619 LGWRNEKCLGYGHX-UHFFFAOYSA-N 484.476 2.575 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)CCN2C(=O)COc3cc(Br)ccc32)c1 727500451 XKUGUNADTHOAMN-UHFFFAOYSA-N 473.352 2.564 50 10 JFGE C[C@H](Sc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)C(=O)NNC(=O)C1CCC1 1084167670 WMXMPWVXIJZOHB-VIFPVBQESA-N 456.359 2.986 50 10 JFGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)cc1)NCCc1ccccc1 1084310112 WVEGQDNOCHTHHC-UHFFFAOYSA-N 462.481 2.652 50 10 JFGE Cc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)cc1C 1865756455 ZZGDDESBGYNTGW-UHFFFAOYSA-N 466.563 2.999 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H](I)C1 1901045600 PCWDBJYWIIJZAZ-AWEZNQCLSA-N 490.363 2.682 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C[C@H]1Br 1944551603 TVWDWVQXSALYMZ-CKEIUWERSA-N 457.390 2.886 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2078432029 GORCBDNBMQSXFL-DVOMOZLQSA-N 475.380 2.740 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2CCC[C@H]21 2108396757 KVFWJLDVSBSLLQ-ZEWMMAHBSA-N 487.391 2.979 50 10 JFGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 2179817180 WASCGSBBJAJAMD-APWZRJJASA-N 453.406 2.756 50 10 JFGE CCCN(C[C@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2250562669 KPOOEPSRJPCOJT-UGSOOPFHSA-N 463.369 2.836 50 10 JFGE COc1ccc(CCNC(=O)C(C#N)=CN=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)cc1 2297471393 OCDNWTMMEJMLCF-YADHBBJMSA-N 496.614 2.536 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H](CCl)C[C@@H]1CCOC1 2364215792 XCWVQLALKSENPK-IRXDYDNUSA-N 456.992 2.796 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 14021659 FJOQOSJTIVQPOS-UHFFFAOYSA-N 470.522 2.736 50 10 JFGE COc1ccc(Nc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c(OC)c1 40619630 PSCZPVFGGQTTRS-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE Nn1c(SCCCC(=O)NN=C2CCCCC2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58992230 INLUDKSXMRSZNC-UHFFFAOYSA-N 462.492 2.784 50 10 JFGE COc1ccccc1C(=O)N(C1=NS(=O)(=O)c2ccccc21)N(C)S(=O)(=O)c1ccc(C)cc1 59472101 MRMONUXEDPJLHZ-UHFFFAOYSA-N 499.570 2.831 50 10 JFGE C=CCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1 100135316 NBTHBLVDMVHTOD-UHFFFAOYSA-N 494.548 2.599 50 10 JFGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 254478302 DDCHIAXZWUVSRF-UHFFFAOYSA-N 464.453 2.941 50 10 JFGE COc1ncccc1CNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 920852998 DWIKGCZCZXWCJC-BOPFTXTBSA-N 464.913 2.706 50 10 JFGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)CC1 1615208580 CXZLFGIKWCKTKU-JJIBRWJFSA-N 457.578 2.593 50 10 JFGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=S)CCC2 1772750415 SPOXVXSJVRMELQ-UHFFFAOYSA-N 484.365 2.608 50 10 JFGE COCc1nnc(NC(=O)COc2cccnc2NC(=O)Oc2ccc([N+](=O)[O-])cc2)s1 1858693557 QUOATCOEGLNDES-UHFFFAOYSA-N 460.428 2.616 50 10 JFGE CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2106776866 MMKKCHDJKSKWSN-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)CCC(CCl)CCl)C1 2106777085 PBNJLSJXUHIYCS-YMXBGEKHSA-N 451.438 2.813 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2cc(I)ccc2F)CC1 2169667892 KGIYWJQFYPMNHU-JTQLQIEISA-N 455.109 2.972 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CCOCC2)C1 2174377801 XTGVDXIVJYXMKN-KRWDZBQOSA-N 499.427 2.515 50 10 JFGE CCn1cccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)c1=O 2323626759 UXKOHVUXSGJYTF-UHFFFAOYSA-N 459.094 2.568 50 10 JFGE CC1(C)OCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCl 2364198297 UZNNTLNGGMBPQW-GOSISDBHSA-N 456.992 2.891 50 10 JFGE Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2-c2ccccc2)cc1 20828848 DYWXKHKXKOUZAX-UHFFFAOYSA-N 464.473 2.990 50 10 JFGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C/C(Cl)=C/c3ccccc3)CC2)cc1 254343311 NCUNJPPMTBIQJR-JCTOGSJLSA-N 460.987 2.683 50 10 JFGE O=C(NN=C[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc2cc(Br)ccc2o1 1083995674 BINSKPUELGOPMN-AWEZNQCLSA-N 485.319 2.975 50 10 JFGE CCn1c(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc2c1=O 1087085834 IUZBRHAEFKKBEA-CYBMUJFWSA-N 470.327 2.675 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccc(C)cc4)c(=O)c23)cc1 1860770298 BTDZOIAHKRWTNY-UHFFFAOYSA-N 468.560 2.752 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758838 UMGBZQIYIMZBOD-UHFFFAOYSA-N 458.474 2.513 50 10 JFGE COc1ccc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c2c1 1873793199 BQIARPVAMWANGS-RSFOSLOZSA-N 464.544 2.971 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)C[C@H]1C(F)(F)F 1904642598 MNHAHBOMEDFSMG-MNOVXSKESA-N 452.255 2.825 50 10 JFGE C[C@H]1C[C@@H](Br)[C@H](C)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1944551605 TVWDWVQXSALYMZ-JKIFEVAISA-N 457.390 2.886 50 10 JFGE COC[C@@](C)(CBr)N(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029233848 YBJJNUYOZFUAPM-LJQANCHMSA-N 475.405 2.515 50 10 JFGE CC[C@@H]1[C@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046033769 MNBANKGTAFAOFK-URKNILKWSA-N 475.380 2.836 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]2CC[C@H]21 2070000168 HWLHFNSCZJSBSF-IXDOHACOSA-N 469.401 2.886 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CCCC2)C1 2117739007 XETYGFIZYOQLMK-APWZRJJASA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@](CO)(NS(=O)(=O)c2ccc(CBr)cc2)C1 2190120898 GGKGESMVNKKHQI-SFHVURJKSA-N 463.394 2.622 50 10 JFGE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cscc1B(O)O 2248898942 HHBUYOGDTIGMFF-MRXNPFEDSA-N 478.379 2.924 50 10 JFGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cc1F 2248900035 QJMBJCRPYHLVHU-UHFFFAOYSA-N 462.286 2.761 50 10 JFGE C[P@]1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338846654 FHHBZAFCAHMTTE-YAYPDYNLSA-N 460.920 2.745 50 10 JFGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 13623377 HGFGKEMRCKHEGY-JOCHJYFZSA-N 486.597 2.889 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40657798 CGHRGVIIBBJCII-UHFFFAOYSA-N 457.834 2.561 50 10 JFGE O=C(N/N=C\c1ccc(Cl)c(Cl)c1)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891898 NHTFIHWYAFHSAM-DGKJUAPTSA-N 450.307 2.749 50 10 JFGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254762887 HBPHYWMQIWQBIE-UHFFFAOYSA-N 478.538 2.996 50 10 JFGE CCn1c(NNC(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)nc2ccccc2c1=O 728858990 HJPIGRAVSVRIGG-LJQANCHMSA-N 454.506 2.523 50 10 JFGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1ccco1 1084085789 NXVXEWATWYIDTR-UHFFFAOYSA-N 459.455 2.536 50 10 JFGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1 1084345220 HANHBHPUPWAESJ-CYBMUJFWSA-N 489.533 2.846 50 10 JFGE Cc1ccn2cc(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)nc2c1 1860770872 AOFUHDDVVPECBU-OCCSQVGLSA-N 464.551 2.561 50 10 JFGE C[C@H]1C[C@@H](CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099159 RWIABKAYRHLZDR-GJZGRUSLSA-N 457.390 2.746 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@]2(CCCC[C@H]2NS(=O)(=O)CI)C1 1983330862 SUUWYZSIRDPUAZ-IUODEOHRSA-N 458.362 2.868 50 10 JFGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2046418039 AHRQETSNFOUSJW-HUUCEWRRSA-N 471.417 2.992 50 10 JFGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2057708046 LJQJYZUENAGBMR-KSRHRBNTSA-N 491.344 2.511 50 10 JFGE CCN([C@@H]1CCC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2217706568 REYYFSXCQQGAFL-FCEWJHQRSA-N 475.380 2.979 50 10 JFGE O=S(=O)(Nc1ccc(I)c(Br)c1)N1CC(Cl)C1 2246898159 VERVXHWNGMPKHW-UHFFFAOYSA-N 451.511 2.633 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCO[C@@]2(CCl)C1 2364205969 PBVTYYQBFDFTJQ-IERDGZPVSA-N 454.976 2.503 50 10 JFGE Cc1nc(C)c(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C(=O)N/N=C/c1ccc2c(c1)OCO2 3213529 RIEYSVWNTAULFZ-XCHCQHLDSA-N 487.472 2.684 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 10455595 PXPJUIZEEXLUNY-UHFFFAOYSA-N 463.515 2.855 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 14657147 QHJQQZQEXLPQQO-UHFFFAOYSA-N 472.350 2.733 50 10 JFGE CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 17200685 ZDSWZCFXEOOKBL-UHFFFAOYSA-N 485.537 2.571 50 10 JFGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102381241 IDFQZVIUFXOUHM-SFQUDFHCSA-N 478.324 2.732 50 10 JFGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 196427896 KKLQDUCRZCCKHG-BTHPGYMESA-N 486.714 2.751 50 10 JFGE COc1cccc(NC(=O)/C(C#N)=C/N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(OC)c2)c1 254307803 NKNOCDMMDKGEQH-YXAYYJRDSA-N 498.586 2.825 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cccc(OC(F)F)c2)cc1 1658321191 RXAUFLUFZQCFKW-UHFFFAOYSA-N 454.455 2.561 50 10 JFGE O=S(=O)([C@@H](CBr)C1CC1)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179826353 RAUCYANOKVFPFX-VQTJNVASSA-N 457.434 2.857 50 10 JFGE CO[C@H]1[C@@H](CBr)N(C(=O)c2csc(I)c2)C[C@H]1OC 2225078937 ADZGLZDVVHFRNE-KKZNHRDASA-N 460.131 2.602 50 10 JFGE O=C(COCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1 2897426 FVHCHHKBPWHFSU-VGENTYGXSA-N 496.159 2.829 50 10 JFGE N#CCCN(CCC#N)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40618165 ZTAWFZXSOBYCIK-UHFFFAOYSA-N 479.284 2.847 50 10 JFGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40659256 AHISZZFXIGCYSG-UHFFFAOYSA-N 481.425 2.533 50 10 JFGE CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C/Nc1ccc2c(C)cc(=O)oc2c1 102676164 PLFPMTMVBCYWMF-XSFVSMFZSA-N 460.490 2.619 50 10 JFGE CCCN(CCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542797 LEDPVPHLIOCDIJ-SFHVURJKSA-N 463.369 2.838 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2083633281 NGVOPHSQEFKQFQ-ARFHVFGLSA-N 469.401 2.888 50 10 JFGE CCCN1CCC[C@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2145775843 HSPYIESDTMXNQO-GHMZBOCLSA-N 476.178 2.665 50 10 JFGE O=S(=O)(c1ccc(CCBr)s1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179824474 VSGXYCPNXTZWNE-ROUUACIJSA-N 471.442 2.959 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)C[C@H]2CC[C@H]1C2 2268552763 XLRSLLIAGWFTEV-FEBSWUBLSA-N 487.391 2.884 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2284019798 CRORPXOYTOMKNT-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE CCOc1c(Cl)cc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1Cl 2323671984 MGYQEZHOFWKOGF-UHFFFAOYSA-N 450.286 2.849 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)COCCN(C(=O)OC(C)(C)C)C1 2325082853 CSZHLXIOADKTPA-HXUWFJFHSA-N 495.664 2.573 50 10 JFGE COC[C@@](C)(CCBr)NC(=O)c1c(Br)c(Br)nn1C 2338682685 UEYRIRJLKPAJPK-LLVKDONJSA-N 461.980 2.865 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 10041017 FSNAUZGQYJIZSS-PKNBQFBNSA-N 454.552 2.766 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14655668 KCNFDTTYEKRLES-UHFFFAOYSA-N 452.330 2.562 50 10 JFGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660725 WCGYQEOORYJIKK-UHFFFAOYSA-N 472.567 2.790 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 254399189 FEAWOPTZZSWAPT-UHFFFAOYSA-N 479.482 2.505 50 10 JFGE COc1cccc(NCC(=O)NNC(=O)c2cccn2-c2cccc(I)c2)c1 728208566 XWXJNZHENMSAPI-UHFFFAOYSA-N 490.301 2.964 50 10 JFGE COc1ccc(C(=O)NNC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)c(OC)c1 730581715 QFKKHUBHJGSGCJ-UHFFFAOYSA-N 462.934 2.538 50 10 JFGE COc1cccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1O 1083930336 IMMXZWGQMJTDFY-UHFFFAOYSA-N 496.383 2.714 50 10 JFGE Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccccc1)CCC2 1772749190 IOQLKWVDUQTFPS-UHFFFAOYSA-N 464.478 2.800 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)Cc2ccccc21 1983326475 AIMDJUOBMIWDDL-CYBMUJFWSA-N 452.314 2.790 50 10 JFGE C[C@@H]1CC[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074209118 SLHINMGRMBVETO-ZNOIYHFQSA-N 475.380 2.884 50 10 JFGE C[C@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106297970 IJENVDZJQUYCSC-ZFWWWQNUSA-N 454.431 2.716 50 10 JFGE Cc1cc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c1 2248901950 KMPBOGIGHXGMIZ-UHFFFAOYSA-N 458.323 2.932 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(F)c(Br)cc1Cl 2267802713 BDBCBAKTQUIYHI-SECBINFHSA-N 464.456 2.948 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2364231098 VHQHDJZBAPBWKH-JMCQJSRRSA-N 471.975 2.571 50 10 JFGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3)nc12 3644145 WFBXGGPEDWQZBF-HKBKRHGFSA-N 498.948 2.659 50 10 JFGE O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccc2ccccc2c1Br 13985188 LYUKNLWZHSKGLE-UHFFFAOYSA-N 462.344 2.825 50 10 JFGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 38249348 JVSMQQSQOLPMFT-UHFFFAOYSA-N 464.265 2.884 50 10 JFGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccoc4C)c(C)c32)cc1 40815288 ZTQLZFAYWSJEDM-HKOYGPOVSA-N 484.534 2.892 50 10 JFGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 229051221 NSAGGUGHVNFKTJ-HSSTVOHKSA-N 450.501 2.860 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)cc(Br)c1 234591787 YMALNWDRKFGBTL-SECBINFHSA-N 490.917 2.918 50 10 JFGE C[C@H](C(=O)NNC(=O)CCC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771612 BCMWKPXXQKUONF-CQSZACIVSA-N 452.536 2.708 50 10 JFGE CC(N)=C(C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 2040421581 DYJCZMIONGJTBM-HXOBKFHXSA-N 459.568 2.758 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@@H]1CCBr 2046022825 NGVJAMBOJFUYKS-KUHUBIRLSA-N 475.380 2.980 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2CCC[C@H]21 2108396756 KVFWJLDVSBSLLQ-QRKDATQKSA-N 487.391 2.979 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)[C@H](C(F)(F)F)C1 2164488307 VORRVUWFGFILQH-ZLENFMNRSA-N 470.872 2.690 50 10 JFGE O=S(=O)(N1CCC[C@H](CBr)C1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179820341 XCYQECPBTFHWJY-AQNXPRMDSA-N 456.450 2.792 50 10 JFGE O=C1CN(C(=O)c2ccc(Cl)c(I)c2)CCN1CCBr 2283664325 QAZJMYVWHHWTIR-UHFFFAOYSA-N 471.520 2.624 50 10 JFGE CC(=CC#N)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2C1=O 2313815370 TXSVZZIMBWZGHU-KRWDZBQOSA-N 458.474 2.871 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2336324387 PMIFXXZJZJMMAQ-ZFWWWQNUSA-N 457.312 2.922 50 10 JFGE O=C(NC1(C(=O)N2CCCc3cc(B(O)O)ccc32)CC1)OCC1c2ccccc2-c2ccccc21 2341913512 JHKUHYNKSYGPOK-UHFFFAOYSA-N 482.345 2.717 50 10 JFGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 58890043 CWQLZVWVBTVENN-VBHHZLGVSA-N 465.300 2.885 50 10 JFGE C[C@H]1CC[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703965970 VUPPJUQOGINGLG-KBPBESRZSA-N 457.390 2.886 50 10 JFGE C[C@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cc(F)ccc1N1CCC(O)CC1 730677685 LCXCEEFOMUEHIM-HNNXBMFYSA-N 453.518 2.984 50 10 JFGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cc(-c2ccccc2)on1 789903525 KTKXDOWODXAXSU-UHFFFAOYSA-N 483.278 2.551 50 10 JFGE O=C(CSCc1cccc(Cl)c1)NN=Cc1ccc(OCC(=O)N2CCOCC2)cc1 1084088315 DTGADMSOIMRZRZ-UHFFFAOYSA-N 461.971 2.961 50 10 JFGE COc1cc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1[N+](=O)[O-] 1860770636 QGXLMNLJIDWLIY-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(C(C)(C)C)c1 1865852062 OOHIIDNQKXGKCG-UHFFFAOYSA-N 498.605 2.869 50 10 JFGE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(/C(C)=C/C#N)c1C 1873428346 NYNCFYPTHOSMBK-JXMROGBWSA-N 468.447 2.913 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(CBr)CC1 2046028670 KGYARSLPVOKHNE-SVGDTCPJSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Br)[C@H]1C1CC1 2067020300 JQAHPFDNIQYBKR-FCEWJHQRSA-N 473.364 2.588 50 10 JFGE CN([C@@H](CBr)CC1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2219171180 OJKQZXYQMJYYFA-AUUYWEPGSA-N 475.380 2.836 50 10 JFGE O=C(c1cc(I)ccc1O)N1C[C@@H]2OCC[C@]2(CBr)C1 2296377663 KAMJDSPDSKXHNZ-JSGCOSHPSA-N 452.086 2.623 50 10 JFGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1cscc1B(O)O 2302678495 HADGYAPLNBBXEZ-OAHLLOKOSA-N 476.363 2.676 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2355687284 YVTCPVNCIIYAKM-OUCADQQQSA-N 450.114 2.702 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2364206505 TYCXNIKBRODGSC-RXVVDRJESA-N 499.427 2.659 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(F)cc2)c(Br)c1 13979115 ZLMHOJDAMLSYNB-UHFFFAOYSA-N 454.321 2.865 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 138338290 YNRKTWUARFHJLX-MBOBHEEDSA-N 470.016 2.982 50 10 JFGE COC(=O)[C@@H](Br)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 234590859 NEQCYVUMRZMLCI-VIFPVBQESA-N 493.999 2.735 50 10 JFGE N#CCCn1cc(/C=C(/C#N)C(=O)NCc2cccnc2N2CCOCC2)c(-c2ccccc2)n1 914471533 HLSPAJOUYQSZMY-JWGURIENSA-N 467.533 2.919 50 10 JFGE COc1cc2c(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(C(=O)O)n(C)c2cc1OC 1873792605 HRWLDEYAOZHBHL-DAFNMPDCSA-N 476.530 2.893 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 2108243526 LSOFZXQKZPYMAZ-IFXJQAMLSA-N 487.391 2.838 50 10 JFGE C[C@@]1(CBr)COCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2135098857 YNGYYUCOMRYNFX-FQEVSTJZSA-N 487.416 2.516 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](Cl)CO2 2173128310 LYGQTLGWWILMSN-MRXNPFEDSA-N 454.976 2.645 50 10 JFGE O=S(=O)(c1ccc(OCCBr)cc1)N1CC2(CN(Cc3ccccc3)C2)C1 2179860125 NGKDYZJLFYRECA-UHFFFAOYSA-N 451.386 2.967 50 10 JFGE CS(=O)(=O)N1CC[C@H](O[C@H](CI)c2cccc(Br)c2)C1 2285602029 DGCIHZAQTTUSRZ-QWHCGFSZSA-N 474.158 2.976 50 10 JFGE O=C(CSc1nc2ccccc2o1)NNC(=O)CN1C(=O)SC(=Cc2ccccc2F)C1=O 2296880244 XTLKBHDOIDOXMQ-UHFFFAOYSA-N 486.506 2.943 50 10 JFGE CCOc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc(Br)c1O 2323099474 HNWZFSYCQGTMHJ-UHFFFAOYSA-N 459.300 2.873 50 10 JFGE NNC(=O)c1occc1COCc1cc(I)ccc1Br 2367280840 RTSUVXFJXKTXHJ-UHFFFAOYSA-N 451.058 2.967 50 10 JFGE O=C(NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1nn(-c2ccccc2)cc1O 11677190 KBMUYOHYXZEQSG-UHFFFAOYSA-N 460.469 2.856 50 10 JFGE Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1C 24476731 MZBAPPIUADLTPN-UHFFFAOYSA-N 470.595 2.850 50 10 JFGE CCOC(=O)c1sc2ncnc(NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c2c1C 96469980 GYMARBVMTMTKQM-UHFFFAOYSA-N 467.507 2.696 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 101794391 ZNUUYWRDVNBDLJ-LSDHQDQOSA-N 470.016 2.984 50 10 JFGE O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccc(F)cc1 104305658 MPLAAWNLGAYEJC-PUOADBHXSA-N 485.519 2.545 50 10 JFGE NNC(=O)[C@H]1CC[C@H](COc2c(Br)cc(Br)cc2Br)O1 110555218 YZUWIJHONMZMTK-GMSGAONNSA-N 472.959 2.890 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CCC3CCCCC3)CC2)cc1 727347365 KCSISDHBYUPPEE-UHFFFAOYSA-N 463.600 2.798 50 10 JFGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1 1084167049 ZPBUIPGGQIWVEB-UHFFFAOYSA-N 474.388 2.730 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)c1 1471691077 NGYBEQCXSQPDSH-UHFFFAOYSA-N 455.499 2.704 50 10 JFGE CC1(C)[C@@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022275 IPGUPWZVWIICTJ-YJYMSZOUSA-N 475.380 2.836 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(CCC[C@H]2Br)C1 2108245416 TZGRKUJWSYWQEB-UXPWSPDFSA-N 487.391 2.980 50 10 JFGE CCN([C@@H]1CCC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2217706571 REYYFSXCQQGAFL-GPMSIDNRSA-N 475.380 2.979 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2ccc(B(O)O)cc21 2256606334 SEAWLGINBXKENC-QGZVFWFLSA-N 470.334 2.573 50 10 JFGE Cc1ccc(S(=O)(=O)N(N=C2NS(=O)(=O)c3ccccc32)C(=O)C=Cc2ccccc2)cc1 2313532357 XALMBAYQOXELDX-UHFFFAOYSA-N 481.555 2.879 50 10 JFGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 12570096 LJHZJUKYZYGGNO-CYBMUJFWSA-N 497.404 2.879 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 207183603 YPWBWGIWZVNYKJ-OSWYIVKVSA-N 463.446 2.988 50 10 JFGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 916310371 YPJGQFOCPKYGOS-HSZRJFAPSA-N 498.605 2.607 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1 1865757256 UOGVSUNZEWNDCB-OAHLLOKOSA-N 458.474 2.511 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924296837 MXLZSZKIHCMJBF-IERDGZPVSA-N 499.427 2.801 50 10 JFGE CSCC[C@H](Br)CCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942751597 VOQLVPIOICLZPU-CQSZACIVSA-N 477.446 2.889 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](Br)CC12CC2 2003752332 CWHWYWRLNDUVSL-AWEZNQCLSA-N 455.374 2.785 50 10 JFGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cc(I)sn1 2007642965 GRQZSMUDAZMTCW-SSDOTTSWSA-N 453.165 2.855 50 10 JFGE C[C@@H]1CN(S(=O)(=O)c2cnn(CCBr)c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179808440 IJOGOFSGXPETGA-BRWVUGGUSA-N 455.422 2.950 50 10 JFGE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2CCCCCI 2220222098 HOAOIXYOQDXXEY-UHFFFAOYSA-N 465.376 2.793 50 10 JFGE CN(CC1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2294915755 JLVGBSUMVQPYFF-UHFFFAOYSA-N 489.809 2.695 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCc1ccccc1 2324683533 SJOMOGPVRWRICL-UHFFFAOYSA-N 474.970 2.539 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2364008492 WKCHQLJBAGJZDF-MADCSZMMSA-N 471.975 2.571 50 10 JFGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011468 VOKUQUOUDVFTPS-UHFFFAOYSA-N 477.970 2.615 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 14021547 KIDJTRJJTPXEFB-UHFFFAOYSA-N 465.300 2.621 50 10 JFGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)cc1 34990382 JJWFLKMDILDBDP-KNTRCKAVSA-N 471.517 2.892 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1OC 40583775 LADMVEBXVALXGR-UHFFFAOYSA-N 452.471 2.742 50 10 JFGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CNC(=O)c3ccc(OC)c(OC)c3)c2)cc1 48572740 MLSGHISJWJXTDC-RWPZCVJISA-N 491.500 2.812 50 10 JFGE CC(=O)O[C@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 104648287 QERAXRDNYJPTRN-RGBOINFLSA-N 460.951 2.943 50 10 JFGE C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727365510 HAHRRKKOSTUHQS-QGZVFWFLSA-N 456.518 2.704 50 10 JFGE COc1ccccc1C=NNC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N 1083920343 QRWOAKDPCYCNFW-UHFFFAOYSA-N 455.500 2.598 50 10 JFGE O=C(O)COc1ccc(C=NNC(=O)COc2ccccc2I)cc1Cl 1084022907 HDTRYXYPCMXGEC-UHFFFAOYSA-N 488.665 2.937 50 10 JFGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2cccc(Br)c2)c2ccccc21 1084510895 QAWBIJMQCCTUBD-UHFFFAOYSA-N 457.328 2.798 50 10 JFGE C=CCCSCCNC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1252771756 IZUCYZHCZPLLFA-UHFFFAOYSA-N 451.552 2.698 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(OC)c1 1860771232 NJVXZYJEQUXJRW-ZIAGYGMSSA-N 484.578 2.551 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860772045 PHVIJVKJYNBAGV-KBPBESRZSA-N 454.552 2.543 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CC12CCC(Br)CC2 2039783250 CNEBMKDFXDYUFO-ZUIJCZDSSA-N 469.401 2.936 50 10 JFGE C[C@@]1(CBr)COCCN(C(=O)c2ccc(I)c(O)c2)C1 2199826239 YHQJOSPHTQKNEZ-AWEZNQCLSA-N 454.102 2.870 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)nc12 2296732274 PAMLIKQZMNQTAM-UHFFFAOYSA-N 470.938 2.831 50 10 JFGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C 9696092 JAPRAQLIGNFVEL-UHFFFAOYSA-N 466.357 2.789 50 10 JFGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(O)cc2)cc1OC 58885495 TYXOVTMUYWYEAI-YZSQISJMSA-N 497.573 2.793 50 10 JFGE C=CCc1cc(C=NNC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 252615599 JTGACLYZOKYVIV-NRFANRHFSA-N 453.495 2.763 50 10 JFGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCC(=O)O 725424423 CWQLZVWVBTVENN-MRXNPFEDSA-N 465.300 2.885 50 10 JFGE CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 750839636 HGELHQIVMCKJSJ-IBGZPJMESA-N 494.013 2.632 50 10 JFGE C=CCc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1O 1084390666 KGDHGKYRZPDAEV-UHFFFAOYSA-N 485.957 2.892 50 10 JFGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 1135308649 IPTRIDUNAIOEDV-CYBMUJFWSA-N 457.911 2.509 50 10 JFGE C=CCNC(=S)NNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2F)c1 1540444880 HAJQNWDPIPGGOM-UHFFFAOYSA-N 456.952 2.883 50 10 JFGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770276 BAEDUUACYVKVBO-KGLIPLIRSA-N 490.607 2.552 50 10 JFGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(CS)cc(B(O)O)c2)CC1 1887520245 OQLPRDXSUCPPDW-UHFFFAOYSA-N 474.391 2.867 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H]2CC[C@@H](Br)C[C@H]21 2001967180 OCTSQUJMIPULKU-CKEIUWERSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@@H](CBr)CCC12CCC2 2025396013 MTGGQIDCNKAHDE-CQSZACIVSA-N 455.374 2.785 50 10 JFGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@]1(C)CBr 2046024147 YCZNLMZXADWHFC-ZNOIYHFQSA-N 475.380 2.694 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)(F)F 2046030995 CAQGEWSJXMBZLG-IUODEOHRSA-N 489.285 2.646 50 10 JFGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 2106304203 CERKHJQKEWJYEF-ZDUSSCGKSA-N 454.431 2.716 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179811356 KOFFZOKJSYWSGL-PMACEKPBSA-N 456.450 2.792 50 10 JFGE C[C@H](CBr)N1CCN(C(=O)c2c(F)cccc2I)CC1 2282785449 ULUUBQLURGEQNJ-SNVBAGLBSA-N 455.109 2.972 50 10 JFGE C=CCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731382 SNDJMOUWHCMEGR-UHFFFAOYSA-N 454.534 2.539 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)ccc1Br 234591854 LNTACHTWEUHZEL-SECBINFHSA-N 490.917 2.918 50 10 JFGE Cc1occc1C(=O)NN=Cc1ccc(OC(=O)c2c(I)cnn2C)cc1 252636535 XJRPNCCTOHHJRB-UHFFFAOYSA-N 478.246 2.909 50 10 JFGE CC(C)c1c(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)nnn1-c1nonc1N 254744290 PBGSWTGXADXVAW-UHFFFAOYSA-N 482.508 2.973 50 10 JFGE Cc1cc(/C=C(/C#N)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C)n1-c1ccc(F)cc1 754512675 AHHVGKZVNAAJCL-YVLHZVERSA-N 472.480 2.725 50 10 JFGE CC(=O)N(CC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 1587194478 KWYQBBMZPAGLDT-UHFFFAOYSA-N 454.490 2.748 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c(C)c2)c1 1651317212 BUALCPISCXHLFP-UHFFFAOYSA-N 456.471 2.869 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H]1CCBr 2000545523 SGRVXHPOCGJTCO-UGSOOPFHSA-N 461.353 2.590 50 10 JFGE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)N1CCC(Br)CC1 2106778480 DNHHWAYZNSFLIX-MCIONIFRSA-N 454.431 2.809 50 10 JFGE Cn1nc(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)cc1Br 2168209571 DXSRYKHRCBDSLP-SECBINFHSA-N 493.059 2.936 50 10 JFGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)Cc1ccccc1I 2178898705 UIQYUNYQIPYOJR-OLZOCXBDSA-N 451.146 2.760 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccs2)cc1I 2313620107 OQUGYKUMJZVSOP-UHFFFAOYSA-N 487.344 2.710 50 10 JFGE COC[C@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823589 CIFPERZXMYRPCY-HNNXBMFYSA-N 475.405 2.562 50 10 JFGE O=S(=O)(c1cc(Br)ccc1Br)N1CCOC[C@@H]1CBr 169237280 JJSLTVBHMILRSO-VIFPVBQESA-N 478.000 2.996 50 10 JFGE C=CCNC(=S)NNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1618593788 GMERYTNLHGIBJB-GOSISDBHSA-N 457.394 2.870 50 10 JFGE CC#CCN(C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1641702584 SCNZDEPBZBLSJQ-VBKFSLOCSA-N 454.328 2.577 50 10 JFGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1[N+](=O)[O-] 1860770227 YMOYPXYCDUHIIB-UHFFFAOYSA-N 493.501 2.811 50 10 JFGE O=S(=O)(NC[C@]1(CBr)C[C@H]1C(F)(F)F)N1CC(OCc2ccccc2)C1 1877483336 KHIUHIOTDYUSAP-HUUCEWRRSA-N 457.312 2.685 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCC1 1942472653 CVCXEBQHCOEUGD-UHFFFAOYSA-N 457.390 2.936 50 10 JFGE CC(C)(C)[C@]1(CBr)CCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 1998034093 ICUKZSLISOKURL-IBGZPJMESA-N 457.390 2.746 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CCBr)CCC1 2000546284 ZEXJXGWEFCYECA-QGZVFWFLSA-N 461.353 2.638 50 10 JFGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122799922 OBIIXLREKFJDBE-GJZGRUSLSA-N 487.416 2.513 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179811244 HHVOPOFBLKHZDT-UHFFFAOYSA-N 466.392 2.791 50 10 JFGE O=C(N[C@@H]1COC2(CCC2)[C@H]1Br)c1ccc(I)c(O)c1 2206486523 RPQKONFZZUMNQC-PWSUYJOCSA-N 452.086 2.812 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1cc(F)c(Br)cc1Cl 2267802714 BDBCBAKTQUIYHI-VIFPVBQESA-N 464.456 2.948 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2364228287 KUHIKPMZNPWBKO-JMCQJSRRSA-N 471.975 2.714 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CCl)C[C@@H](C2)C1 2369324692 PCEYMYSJDMGLEQ-YJXLLHPSSA-N 456.967 2.928 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c2)cc1 9097231 QENBBDYVVDYUBO-FLFQWRMESA-N 464.503 2.607 50 10 JFGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccccc4F)CC3)c2[N+](=O)[O-])cc1 40657511 BOYVHKSRSPNLHO-UHFFFAOYSA-N 451.462 2.916 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(F)cc3)nnn2-c2nonc2N)cc1 254477950 BBMPCVREOKGANL-UHFFFAOYSA-N 450.434 2.591 50 10 JFGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1nn(-c2ccccc2)cc1O 727483664 UOJMZORCNKQIRO-UHFFFAOYSA-N 462.535 2.865 50 10 JFGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc(I)c1 1084425039 XOSDOFOFFQQVNX-UHFFFAOYSA-N 485.347 2.906 50 10 JFGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618377 JBZXCEAGRKCXJX-FQEVSTJZSA-N 480.546 2.631 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 1940522635 CSXQXSOBXBMLOT-JKIFEVAISA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CCCC[C@H]1Br 1942095156 NTHOFDAYATUDAB-RHSMWYFYSA-N 457.390 2.936 50 10 JFGE NNC(=O)C1(COc2c(I)cc(Cl)cc2I)CC1 2033725094 AKCKOXYVBMJKLM-UHFFFAOYSA-N 492.482 2.698 50 10 JFGE Cc1ccc(N2C(=O)C(=CNNC(=O)CN3C(=O)COc4ccccc43)c3ccccc3C2=O)cc1C 2042445255 DNKGWQMBAYZYIO-UHFFFAOYSA-N 496.523 2.878 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(Br)C2 2046028546 JGZNGJZHHQSEEM-NJSLBKSFSA-N 473.364 2.731 50 10 JFGE Cn1ncc(C(=O)N2C[C@H](CBr)[C@@H](C(F)(F)F)C2)c1I 2163358231 IQTXHDPCVZSEQI-XPUUQOCRSA-N 466.039 2.670 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 2179860580 UOWXXRKXVMBREA-SFHVURJKSA-N 455.422 2.790 50 10 JFGE Cc1ccc(B(O)O)c(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 2302690995 OWVQVWYDCSFOBH-UHFFFAOYSA-N 456.307 2.685 50 10 JFGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1OC 2313620701 MEGZKHTVABWYNE-UHFFFAOYSA-N 457.552 2.941 50 10 JFGE COc1cc(C=NNC(=O)CCc2nc3ccccc3[nH]c2=O)cc(Br)c1OC 2323098286 PFIMNLRBWVBIQE-UHFFFAOYSA-N 459.300 2.786 50 10 JFGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC 12503680 GKYZMAGUFOURKP-UHFFFAOYSA-N 469.519 2.580 50 10 JFGE Cc1c(C(=O)NCCCn2ccnc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812153 DRZUJIKMZITTHM-NLRVBDNBSA-N 464.482 2.983 50 10 JFGE O=C(NN=Cc1ccc(O)c(O)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 254656360 XSJPINHLKIUYBB-UHFFFAOYSA-N 453.520 2.802 50 10 JFGE O=C1NC(=O)[C@H](Br)[C@H]1c1cc(I)ccc1Br 300886450 BHKANBYEUJRIDT-HTQZYQBOSA-N 458.875 2.557 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1Br 703972704 GFGSTIVPIXENMS-ZWKOTPCHSA-N 463.353 2.653 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](CBr)C12CCC2 2016064726 LVQBEMHOKPQMTD-CQSZACIVSA-N 455.374 2.642 50 10 JFGE O=S(=O)(c1n[nH]cc1CBr)N1CCCN(Cc2ccccc2)CC(F)(F)C1 2179867898 BYWSLFZUQVRHAB-UHFFFAOYSA-N 463.348 2.837 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 2182308429 VBIGGCPIFGDLQZ-ROUUACIJSA-N 453.406 2.706 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1 13976898 KEVRDXDVFWVGFR-UHFFFAOYSA-N 478.958 2.558 50 10 JFGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br 14661451 DQXBBQCNOPCGLI-UHFFFAOYSA-N 450.289 2.508 50 10 JFGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccccc32)cc1OC 254491350 IQCRZROYDSTMEV-ITHCGDQRSA-N 484.512 2.972 50 10 JFGE C[C@@](CBr)(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 703978542 BONAZNIPYNYARF-FQEVSTJZSA-N 465.369 2.902 50 10 JFGE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1cc(F)ccc1Br 726253902 UMJSDONKMRJVJF-UHFFFAOYSA-N 478.299 2.711 50 10 JFGE Cc1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1083990379 KPNLTHDKEUCENZ-UHFFFAOYSA-N 452.470 2.772 50 10 JFGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cnn(CCOC)c1 1084614567 SQUHROLZLAFPSQ-UHFFFAOYSA-N 489.005 2.815 50 10 JFGE C#C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(Cl)cc1F 1252479408 MKWWTJIQSONWLU-QGZVFWFLSA-N 453.927 2.905 50 10 JFGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NCCOCCI)C1 1904640674 WOPQXSJLPNKEPW-WVPYVGAHSA-N 460.378 2.839 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NS(=O)(=O)N1CCC(Br)CC1 2106301324 IBSXRRNILWAXGQ-CHWSQXEVSA-N 454.431 2.572 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CCl)C[C@@H]1C(F)(F)F 2192580546 HSYIVWWHPVWWIC-JQFCIGGWSA-N 470.872 2.738 50 10 JFGE C[P@]1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338846651 FHHBZAFCAHMTTE-ACDPGZMHSA-N 460.920 2.745 50 10 JFGE O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(OCc2cscn2)c1 16705912 KMJSMOBPWVXKNG-UHFFFAOYSA-N 486.575 2.581 50 10 JFGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCC(C)C 101341731 DIOXYTROZIUCOR-UDWIEESQSA-N 470.522 2.902 50 10 JFGE C=CCc1cc(CNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1677967281 YCHICEKQLATULO-UHFFFAOYSA-N 459.499 2.602 50 10 JFGE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCCSSCCNC(=O)OC(C)(C)C 1902046132 NTXOKLMPDUWFEH-AWEZNQCLSA-N 467.654 2.939 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106302258 LNCQFFFBJUIDEQ-CQSZACIVSA-N 454.431 2.717 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CCl)C(F)(F)C1 2108234570 PSYBEDYBQJQRBQ-SJKOYZFVSA-N 452.882 2.537 50 10 JFGE C[C@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cnn(CCCBr)c1 2179790214 APSOURVBEQNFSV-KRWDZBQOSA-N 455.422 2.953 50 10 JFGE CC[C@H]1[C@H](Br)CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2250978371 OFDULRGGIQGQIT-CVEARBPZSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cc(B(O)O)ccc2Cl)C1 2284014529 ASSISDQLJAWRMQ-XMMPIXPASA-N 488.777 2.802 50 10 JFGE CC(C)(CI)CN1CCC[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2351605878 CYODABPKCZHSIF-OAHLLOKOSA-N 479.403 2.991 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039117 NCAGBUPWDZYYPK-UHFFFAOYSA-N 473.551 2.755 50 10 JFGE O=C(NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40646174 ONDAYWOJRAKRNP-UHFFFAOYSA-N 453.371 2.565 50 10 JFGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1N 58990342 DKDULQFLQFYTKR-UFFVCSGVSA-N 461.345 2.672 50 10 JFGE COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3C)o2)cc1 103003516 LJQQGZYFCPKKAW-HDZGYNCQSA-N 480.498 2.513 50 10 JFGE COc1cc(C=NNC(=O)CSc2nncn2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254707976 QQILZSMOUSKUHO-UHFFFAOYSA-N 487.454 2.675 50 10 JFGE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)NNC(=O)CCOc4ccccc4)CC3)cc2NC1=O 727477889 QCTAVBRLWURBRG-MRXNPFEDSA-N 480.521 2.511 50 10 JFGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 1087668926 CAOIVXWEBUENPE-HUUCEWRRSA-N 454.474 2.872 50 10 JFGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1857624703 LFDSJZUWJKJWAH-XTBFCRSKSA-N 480.985 2.688 50 10 JFGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769619 AWRPELBOZDCJMX-HNNXBMFYSA-N 466.563 2.702 50 10 JFGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860772846 IZZRLMMWGKLNHO-SVMXSDTBSA-N 470.551 2.759 50 10 JFGE C[C@@H](Br)[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942097462 IIKDYVGDIKHFMH-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)CC2(CCC2)C1 1946081344 LGBTYRODUXNWDE-CQSZACIVSA-N 455.374 2.642 50 10 JFGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539974 NAPZYMIJSSZGMJ-MRAWALMUSA-N 461.353 2.588 50 10 JFGE CC1CC(CBr)(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2065456057 BCJXDBACQGGVLF-SZSCYUJKSA-N 475.380 2.741 50 10 JFGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106782286 PKPIAKAYLXJDEJ-HIFRSBDPSA-N 454.431 2.858 50 10 JFGE O=S(=O)(c1cnn(CCCBr)c1)N1CCCN(Cc2ccccc2)CCC1 2179790153 AAAMVRMJGYGHGZ-UHFFFAOYSA-N 455.422 2.955 50 10 JFGE O=S(=O)(Cc1ncsc1Br)N1C[C@@H](Br)[C@H](Br)C1 2213760126 APJANGHINLJOCF-PHDIDXHHSA-N 469.018 2.578 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2243684692 FMSLJCGYKQVWRR-CABCVRRESA-N 464.352 2.532 50 10 JFGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2256629260 RREPBZITCWDNKF-GYCJOSAFSA-N 492.406 2.998 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2269569100 XSRXCYAGSSEBDS-SANMLTNESA-N 486.377 2.936 50 10 JFGE CCOc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OCC 2297334431 HKAVYYNJKDQOMU-UHFFFAOYSA-N 493.305 2.795 50 10 JFGE CCOC(=O)CS[C@]1(c2ccc(OC)cc2)OC(N=CN(C)C)=C(C#N)C1=C(C#N)C#N 2297672505 VAZOFADUSPQMPD-QFIPXVFZSA-N 451.508 2.843 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 2324110064 SWWDZOGQHGVTTE-UHFFFAOYSA-N 491.913 2.727 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2364008487 WKCHQLJBAGJZDF-JMCQJSRRSA-N 471.975 2.571 50 10 JFGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13976823 ZVRVDNMKRDYFMU-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 14041079 HCWRMDPHIMXYBD-UHFFFAOYSA-N 465.531 2.859 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 14655677 WASCSNYINIAGLP-UHFFFAOYSA-N 452.330 2.806 50 10 JFGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])cc1 40628052 YMMDLVDXNOSVGU-UHFFFAOYSA-N 475.487 2.509 50 10 JFGE CCOC(=O)c1ccccc1Nc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40659266 OAELSPQUQMIKLO-UHFFFAOYSA-N 481.425 2.899 50 10 JFGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 102847921 VDKCNZDRYRIVDZ-OVCORXIESA-N 492.557 2.622 50 10 JFGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)[C@@H]1COc2ccccc2O1 252630681 VDCDUAWYNMSGGZ-LBPRGKRZSA-N 472.089 2.913 50 10 JFGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c(c1)OCO2)c1ccc2c3c(cccc13)CC2 1084450951 IXKIFEKTMSYZSC-UHFFFAOYSA-N 451.504 2.583 50 10 JFGE C=CCNC(=S)NNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccc(Br)cc1 1618593790 GMERYTNLHGIBJB-SFHVURJKSA-N 457.394 2.870 50 10 JFGE CC(C)(C)OC(=O)N1CCN(CCOCCI)C[C@@H]1C(F)(F)F 1904641615 CTZIRVZEIDVKDY-LLVKDONJSA-N 452.255 2.922 50 10 JFGE CC[C@@H](CCCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539540 LKJMOGSRZKDGGU-SCLBCKFNSA-N 463.369 2.884 50 10 JFGE CC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2084888209 HBDFVTHZRIQHPY-GJZGRUSLSA-N 471.417 2.992 50 10 JFGE O=C(c1c(F)cccc1I)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2282797517 PEHUKOKPBMDGAQ-LNLATYFQSA-N 454.077 2.912 50 10 JFGE C[C@@H]1CC(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2I)C[C@@H](C)S1(=O)=O 2307473245 XUXKMZYLZLYFRD-MHDGFBEUSA-N 473.373 2.780 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(CCOCCI)C1 2326642435 SIZFXNAAYSQLPG-OAHLLOKOSA-N 468.376 2.976 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CCC[C@@H](OCCBr)C1 2364025132 UDGPRTDUERSIBS-MRVPVSSYSA-N 473.991 2.961 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2)c(Br)c1 13979141 LWACNJHQZZTDQJ-UHFFFAOYSA-N 480.384 2.800 50 10 JFGE N#CCCN(CCC#N)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40618142 FLKSQSBTJLXLBV-UHFFFAOYSA-N 459.264 2.538 50 10 JFGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(S(N)(=O)=O)cc1 217253785 CUHUJQKQUYMLFX-BENRWUELSA-N 482.303 2.705 50 10 JFGE Cc1ccc(-c2c(C(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)cc1 254625531 WVPYECQLLKBJIC-UHFFFAOYSA-N 456.388 2.991 50 10 JFGE COc1cccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1OC 1083935476 JWLCKSZQRWAJOS-UHFFFAOYSA-N 457.508 2.638 50 10 JFGE CC(=O)c1cccc(OCc2cc(C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)no2)c1 1466574643 ONIVLKQOOMUOSG-UHFFFAOYSA-N 451.464 2.983 50 10 JFGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1)c1ccccc1 1627413969 ATFRHUIDUAWMOQ-FIWMFUAISA-N 453.502 2.832 50 10 JFGE CCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1772760245 IFXCGVCNQGBELQ-CYBMUJFWSA-N 455.540 2.535 50 10 JFGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770468 JOYOEJNHWNJQCP-UHFFFAOYSA-N 468.560 2.697 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)cc1 1860770765 WLQUCYMLZQVIQS-UHFFFAOYSA-N 463.475 2.803 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942087218 FNLSPRFLRMMDEB-INIZCTEOSA-N 457.390 2.888 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 2041121214 HYSPAKLXRNQUFK-GFCCVEGCSA-N 479.343 2.743 50 10 JFGE CC1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046021582 CNNJJZNJYLSGGJ-IBGZPJMESA-N 475.380 2.838 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1(C)C 2103386471 UEIIOVQYQMYCSY-INIZCTEOSA-N 487.416 2.513 50 10 JFGE CC(C)(C)OC(=O)N1CCC(CBr)(OC2CCN(S(C)(=O)=O)CC2)CC1 2270093982 CMOIEOPUFMCYMM-UHFFFAOYSA-N 455.415 2.592 50 10 JFGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H]([C@@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296507049 QTGLIOANOQZSKG-DLBZAZTESA-N 464.528 2.538 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@H](CBr)C12CCC2 2306813792 XJPDXTWOSOOGHT-CZUORRHYSA-N 455.374 2.546 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCOC[C@H]1CBr 2338853180 VVGRJACYIRFNJB-QAPCUYQASA-N 487.416 2.562 50 10 JFGE NNC(=O)c1csc(COCc2ccc(I)c(Br)c2)n1 2377634033 BZXUQTGBBIPLKG-UHFFFAOYSA-N 468.114 2.831 50 10 JFGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 33402044 HXQOGXHCQJFYEL-SSZFMOIBSA-N 463.462 2.855 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 206489455 BDQLFZFVTVKTMH-BOPFTXTBSA-N 485.452 2.713 50 10 JFGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 217237278 BUBRQFLPOUXLEI-ICFOKQHNSA-N 466.469 2.567 50 10 JFGE COc1ccccc1C(=O)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254528219 RWOUNYHMXCTYMV-UHFFFAOYSA-N 456.502 2.535 50 10 JFGE Cn1c(=NNC(=O)c2cccc(C(=O)NN=c3sc4ccccc4n3C)n2)sc2ccccc21 254629736 BOIUCNRNOKONIN-UHFFFAOYSA-N 489.586 2.679 50 10 JFGE CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)NN=Cc1ccc(O)c(Br)c1 263626890 AZWZWCOZXSAIIA-SFHVURJKSA-N 462.300 2.788 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 703965240 OIQJTBISYFRLHX-CZUORRHYSA-N 457.390 2.744 50 10 JFGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 1465493838 OVZGEOPGVDETGV-UHFFFAOYSA-N 459.547 2.786 50 10 JFGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2cc(F)ccc2Br)c1 1557045818 CXJVSOITRLDACB-UHFFFAOYSA-N 458.309 2.603 50 10 JFGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC 1860769622 AYRBDIYXVNAOOK-UHFFFAOYSA-N 492.557 2.841 50 10 JFGE COc1ccc(CCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865851680 GABXZGQSDGMHRQ-CQSZACIVSA-N 454.552 2.687 50 10 JFGE C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877547170 AYGUWTZXCWQGON-NSHDSACASA-N 456.977 2.580 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1CBr 2058373520 KTUXRKJDARMDKC-GRDNDAEWSA-N 469.401 2.886 50 10 JFGE O=C1CN(C(=O)c2cc(Br)ccc2I)CCN1CCCl 2171081429 PCGVDCRLVICHPT-UHFFFAOYSA-N 471.520 2.577 50 10 JFGE CN1CCN(C(=O)c2cc(I)ccc2F)[C@@H](CCBr)C1 2202834966 PFIOYCPZMDLFPK-NSHDSACASA-N 455.109 2.972 50 10 JFGE O=C(NCCCC(=O)N1CCc2ccc(B(O)O)cc21)OCC1c2ccccc2-c2ccccc21 2257381556 NTNOGVXYNRLZEN-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE Cn1ncc(C(=O)NN)c1CSc1cc(I)ccc1Br 2363645280 ZHKDPKWZNAJZAY-UHFFFAOYSA-N 467.130 2.683 50 10 JFGE CN(C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CC2)C(=O)OC(C)(C)C 2365922143 CEJCPIBWEPSDOZ-CQSZACIVSA-N 466.442 2.669 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 14029763 ATBRFILOZWKPNJ-UHFFFAOYSA-N 460.512 2.878 50 10 JFGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)C[C@@H](C)O1 229104105 FALIPNKTKJLFOC-OVYLHQNISA-N 457.534 2.574 50 10 JFGE CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 725411529 JXMKZKFNKBAEEU-UHFFFAOYSA-N 481.372 2.714 50 10 JFGE C#CCN(CC(=O)NNC(=O)c1ccc(C)cc1)[C@@H]1CCOc2ccc(Br)cc21 1615535566 HYMIXUWPJFXETK-LJQANCHMSA-N 456.340 2.978 50 10 JFGE C=CCS(=O)(=O)CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 1632485582 WOLRGZDBVJMBLZ-GHRIWEEISA-N 457.943 2.741 50 10 JFGE C#C[C@@H](CCC)NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1683512832 RFTQGSVGJIHPEO-FQEVSTJZSA-N 456.568 2.562 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H](Br)C1CC1 1942839783 SOCDTEYZAOGDGY-KRWDZBQOSA-N 457.390 2.936 50 10 JFGE Cc1nc(I)c(NC(=O)OCCl)c(I)n1 1975071014 NLMQBPUUIYIPMA-UHFFFAOYSA-N 453.405 2.739 50 10 JFGE C[C@@]1(CBr)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540584 FZGLHFCDPPEKGR-MSOLQXFVSA-N 461.353 2.590 50 10 JFGE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)N1CCC(Br)CC1 2106778722 GMNCOHHDZCSXSG-HNNXBMFYSA-N 454.431 2.860 50 10 JFGE O=S(=O)(c1c[nH]c(CBr)c1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179865399 QXMHJRSIANCESU-LJQANCHMSA-N 454.390 2.575 50 10 JFGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 2295163758 FTWSAXXSSHKCKV-UHFFFAOYSA-N 471.433 2.974 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2310666772 KUCFJWQJKIAPAP-CFLQYTFWSA-N 469.401 2.936 50 10 JFGE CC1(C)CO[C@@H](CCl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364209304 RAGVONUXOJSELH-INIZCTEOSA-N 456.992 2.891 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCCl)O1 2364212760 AHTVMMJCRDHPLJ-IAGOWNOFSA-N 456.992 2.891 50 10 JFGE CCOC(=O)C1=C(COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 32778478 NMYAPFXMKRQJAL-PFSBYRDKSA-N 478.505 2.976 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)CI)[C@@H]1C(F)(F)F 1903070200 SQFVDIGYRYYFBN-RKDXNWHRSA-N 472.267 2.629 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)F 1918553636 PXXUKRJTBWIDGY-ZDUSSCGKSA-N 467.332 2.647 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)Cc2ccccc21 1983326476 AIMDJUOBMIWDDL-ZDUSSCGKSA-N 452.314 2.790 50 10 JFGE CCC[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2025368872 UCCCPLJWEYMGIB-LSDHHAIUSA-N 457.390 2.746 50 10 JFGE C[C@@H]1CC[C@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048064835 XLBYDRKXPYZZAY-PJIJBLCYSA-N 475.380 2.836 50 10 JFGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2257385078 ZECMRLWSHUUMKM-QHCPKHFHSA-N 473.338 2.653 50 10 JFGE CO[C@@H](CCBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827682 SVOXZIVMFWWKEW-HNNXBMFYSA-N 475.405 2.562 50 10 JFGE CCCCOCCCNC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2324737221 QKTHIWWKFPMJEX-UHFFFAOYSA-N 485.006 2.503 50 10 JFGE Cc1cc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2)ccc1Br 12501988 GXYBPHBHKPZUEH-UHFFFAOYSA-N 450.358 2.791 50 10 JFGE COc1cc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O 13968409 ITBSASPLBJXOAF-KOJZRSEWSA-N 456.499 2.666 50 10 JFGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2C)c(OC)c1 207298204 DKXSITSZSKYCLX-BOPFTXTBSA-N 469.450 2.566 50 10 JFGE O=C(NN=Cc1ccc(O)c(O)c1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 254589598 KHUBWTYTOXSIPC-WJRGZRKHSA-N 462.418 2.633 50 10 JFGE COc1cc(C(=O)NN=Cc2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(OC)c1OC 1084068557 UQBXUJYLTUFNKW-UHFFFAOYSA-N 472.483 2.664 50 10 JFGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NNC(=O)COc4ccccc4)c(C)c32)c1 1772748443 XTWNYVDPIPBMFM-UHFFFAOYSA-N 490.516 2.907 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)N1CCCC[C@@H]1CBr)C2 2179819238 JWLKDJUQVRSEPK-VAMGGRTRSA-N 456.450 2.935 50 10 JFGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)N1CCC(Br)CC1 2193227435 AYVJCNXADQIBLF-CVEARBPZSA-N 470.355 2.743 50 10 JFGE CO[C@@H]1CN(C(=O)c2csc(I)c2)[C@@H](CBr)[C@H]1OC 2225078936 ADZGLZDVVHFRNE-IQJOONFLSA-N 460.131 2.602 50 10 JFGE CCn1ncc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C 2295623490 DPUOOEUXXUKOOJ-UHFFFAOYSA-N 451.512 2.656 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109211 NIXVVWZKRCSRTL-OAQYLSRUSA-N 472.570 2.924 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2364228289 KUHIKPMZNPWBKO-KRTXAFLBSA-N 471.975 2.714 50 10 JFGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 14668600 DQHUIQDMBAHZSP-UHFFFAOYSA-N 496.383 2.959 50 10 JFGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4C3)cc2)cc1 15662498 GVBCPCKUJCSFNS-JOCHJYFZSA-N 493.585 2.828 50 10 JFGE CC(C)(COc1c(I)cc(Cl)cc1I)C(=O)NN 385041820 KRPPWACFCXJBSS-UHFFFAOYSA-N 494.498 2.944 50 10 JFGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916246477 HZGKMHNNOFXXSD-UHFFFAOYSA-N 466.357 2.624 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 920853819 HFRKBDLWCBKMAA-ZIPUBWIGSA-N 478.597 2.720 50 10 JFGE C#CCOc1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 1440603468 VXZXVYPPQIMKHP-UHFFFAOYSA-N 452.470 2.532 50 10 JFGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860771256 OKMWSLRUPMYRDX-ZIAGYGMSSA-N 484.578 2.551 50 10 JFGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1OC 2040837521 BCTSYHFLEHJTQQ-UHFFFAOYSA-N 480.564 2.755 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CNS(=O)(=O)N1CCC(Br)CC1 2106303239 SENIQBILAVWHBK-KRWDZBQOSA-N 454.431 2.860 50 10 JFGE Cn1ncc(C(=O)N2CC[C@](CBr)(C(F)(F)F)C2)c1I 2167687842 KYLGNHIZPQEWMV-SNVBAGLBSA-N 466.039 2.814 50 10 JFGE O=S(=O)(N1CCC(CCBr)CC1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179948312 HLYTXJXOZCUQRA-WOJBJXKFSA-N 456.450 2.792 50 10 JFGE C[C@H](Br)[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338833892 RSDYPBHGUJQCAM-MAUKXSAKSA-N 487.416 2.657 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCC12CC(CCl)(CO1)C2 2364201145 BYAHTXSVIGLHNG-UHFFFAOYSA-N 454.976 2.550 50 10 JFGE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 1048052 FSLKNVJZUZSDSY-AYBZRNKSSA-N 450.630 2.571 50 10 JFGE COc1ccc(/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1CN1CCN(c2ccc(F)cc2)CC1 27520772 LIBPLUGVWROMHP-VULFUBBASA-N 495.515 2.562 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC[C@H]1Br 707365643 SQNXIPZBCVRNMZ-CVEARBPZSA-N 457.390 2.934 50 10 JFGE COc1ccc(C=NNC(=O)C(F)(F)F)cc1CN1C[C@@H]2CC[C@H](C1)Cn1c2cccc1=O 1084001199 GFISPPCTBCTOIQ-SJORKVTESA-N 462.472 2.879 50 10 JFGE C=CC[C@@]1(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 1160580284 DITULYXNBOLZFA-NRFANRHFSA-N 452.577 2.726 50 10 JFGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2C1=O 1625995040 KWSIWHXMERUBOL-UHFFFAOYSA-N 458.858 2.606 50 10 JFGE CC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942099420 UFRCOYNHGFSHQG-PBHICJAKSA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CBr)CC12CCC2 2036646668 BFFHELYAOBIQRS-FQEVSTJZSA-N 469.401 2.938 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CCCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106776769 LMAIEJRZOTXJHJ-CQSZACIVSA-N 454.431 2.717 50 10 JFGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2172923699 XOWNNYDFQALEJC-YEWWUXTCSA-N 466.442 2.716 50 10 JFGE Cn1ncc(C(=O)NC[C@]2(CBr)C[C@H]2C(F)(F)F)c1I 2192580340 MEVRTPVYSHCDKE-GMSGAONNSA-N 466.039 2.718 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H]2CBr 2308522410 KXZTVUDZMXQPJF-VBQJREDUSA-N 469.401 2.886 50 10 JFGE CC[C@@H](NC(=O)C(C#N)=CN(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325092294 GZACOTKSYLXYNR-DHIUTWEWSA-N 459.612 2.676 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596821 KTRLILWGOAIGAP-KOEQRZSOSA-N 491.460 2.747 50 10 JFGE C[C@H]1CN(C(=O)/C(C#N)=C2/N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)C[C@@H](C)O1 102673574 XOIWPHPLMWWTBA-LEXKCHRASA-N 459.462 2.655 50 10 JFGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1OC 106107571 JAFPDALFXBMINH-YFHOEESVSA-N 484.578 2.775 50 10 JFGE CN1C(=O)C(=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c2ccccc21 254486650 JVKKAANLOIPEQG-UHFFFAOYSA-N 462.531 2.763 50 10 JFGE CCOc1ccc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC 1772760272 PXFIZLAHVMYPSP-AWEZNQCLSA-N 469.567 2.926 50 10 JFGE CC(C)[C@H](Br)C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1954634120 HTWUHEZXAGWUGA-ZDUSSCGKSA-N 452.390 2.940 50 10 JFGE CCC[C@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541785 IWCWQVOAIDOXDO-QZTJIDSGSA-N 463.369 2.884 50 10 JFGE CC1(C)C[C@@](C)(CBr)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2022110956 OAQVLVQCUCWNFX-IBGZPJMESA-N 457.390 2.888 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CCl)C1 2239163354 UNOUYZFAJMGLSP-WIYYLYMNSA-N 454.976 2.503 50 10 JFGE O=C(NCCCC(=O)N1CCc2cc(B(O)O)ccc21)OCC1c2ccccc2-c2ccccc21 2257377815 DWQHEPDESOLOBE-UHFFFAOYSA-N 470.334 2.574 50 10 JFGE N#CC(=CNCCc1cccc(Br)c1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324210032 LELCTRAQMOKMTE-UHFFFAOYSA-N 450.314 2.874 50 10 JFGE CN1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2338712195 WPXQKDCLJFDSDL-BQBZGAKWSA-N 480.020 2.805 50 10 JFGE C/C(=N/NC(=O)CCCSc1nnc(CCc2ccccc2)n1N)c1ccc2c(c1)OCO2 58989970 CQJWQBSCSSBCBH-XYGWBWBKSA-N 466.567 2.919 50 10 JFGE Cc1cccc(C(C)C)c1NC(=O)/C(CC(=O)/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)C(N)=O 109888606 PXCNOBXGCGPDRH-QSRBYEARSA-N 479.493 2.595 50 10 JFGE C[C@@H](CBr)[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703947796 RQQBXGNVONEJIN-WMLDXEAASA-N 457.390 2.888 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)NNC(=O)c1ccc(Br)cc1Cl 728951204 BABLZNHGWDKLHF-UHFFFAOYSA-N 455.696 2.547 50 10 JFGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1 1084055647 YIOBFPPRBMMQAI-UHFFFAOYSA-N 460.347 2.549 50 10 JFGE O=C(CCC(=O)c1ccccc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770166 WKKHNSUMLKDSDL-UHFFFAOYSA-N 460.515 2.936 50 10 JFGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866097540 JOEMATTZSLNDOQ-UHFFFAOYSA-N 481.335 2.565 50 10 JFGE C[C@@H]1CC[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096875 DYQKMULHNBZBMC-CABCVRRESA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)CI)c1ccccc1 1983326829 FOWPYVOPVPSTTC-ZDUSSCGKSA-N 454.330 2.954 50 10 JFGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1CBr 2000982061 ZGQZBXCZCWIDFU-HUUCEWRRSA-N 457.390 2.746 50 10 JFGE COc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 2227656919 ASXQTCLDDIZTDE-RKDXNWHRSA-N 478.000 2.989 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2256617425 JXLOTZVGYHUTMC-UPCLLVRISA-N 473.338 2.653 50 10 JFGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(=N)N)cc3)n2)cc1OC 2297462078 YXKFOYWHTBLVRM-UHFFFAOYSA-N 484.563 2.976 50 10 JFGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2355843407 REWGIEKOOOTTTM-ZWKOTPCHSA-N 453.406 2.706 50 10 JFGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1cc2c(s1)CCCCC2 28661671 IYDTWCPLSIPLON-UHFFFAOYSA-N 476.562 2.833 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@]2(C)C[C@H]2Br)cc1 1533370449 AGCFOSJJXVGZCA-LMMKCTJWSA-N 457.390 2.722 50 10 JFGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1C 1860770467 JOTPFVMXYWPDGB-UHFFFAOYSA-N 468.560 2.752 50 10 JFGE COc1cccc(-c2ccc(C(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(C)n2)c1 1865758554 GPPPRAOJLJBJGB-UHFFFAOYSA-N 472.501 2.903 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 1942097668 JGLPEIYVAHZQSS-YOEHRIQHSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1S(=O)(=O)CI 1983326536 BHFDJNDZBDIGSP-STQMWFEESA-N 458.362 2.963 50 10 JFGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@]2(CBr)CCC[C@H]12 2000938873 WKRLZABBRQINHL-QFBILLFUSA-N 455.374 2.642 50 10 JFGE C[C@H](Br)[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2018110304 SKAJANSFGMZAPZ-BBRMVZONSA-N 457.390 2.886 50 10 JFGE O=C(c1cc(I)ccc1O)N1CC2(C1)OCCC[C@H]2Br 2159661864 OVBSMBKSPBTDRQ-GFCCVEGCSA-N 452.086 2.765 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1O 2172854098 OBQIDAKEPGNWSF-BMFZPTHFSA-N 463.394 2.524 50 10 JFGE O=C(NCCCC(=O)N1CCc2sc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2257377321 BODRAEMVOAQSJZ-UHFFFAOYSA-N 490.390 2.632 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OC2CCN(S(C)(=O)=O)CC2)C1 2270095349 RBQSCGSZEQIXMD-KRWDZBQOSA-N 455.415 2.592 50 10 JFGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)cc1 2296546091 LYMBHAGMRVKOLS-QZTJIDSGSA-N 464.547 2.955 50 10 JFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(N2CCN(C)CC2)cc1 2297635233 UHYSUAGIHLILMS-UHFFFAOYSA-N 498.634 2.850 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CBr)C(=O)O)cc1Br 2343261149 ZJULEGIYXPEJCV-QMMMGPOBSA-N 479.972 2.646 50 10 JFGE COC(=O)COc1cc(Br)c(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58890235 MJYMVOLZQXXHNQ-NSTHGIQOSA-N 479.327 2.973 50 10 JFGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OC(C)C 256028583 WHNLCGHMPCTBNY-UHFFFAOYSA-N 460.379 2.921 50 10 JFGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2COC[C@@H]2Br)cc1Br 323195066 SIXBIBMWCMADIF-UWVGGRQHSA-N 478.000 2.961 50 10 JFGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(-c2ccc(Cl)cc2)n1 725759853 VTJPZFBCNSJPOO-NBVRZTHBSA-N 486.985 2.566 50 10 JFGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 1084427755 MATDQNKQDSZQCZ-LJQANCHMSA-N 455.496 2.555 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)COc3ccc(C)c(C)c3)c2C)C1=O 1310853339 SCJGLRVUPRUHTF-UHFFFAOYSA-N 453.499 2.632 50 10 JFGE CCc1cccc(CC)c1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777674 OLMPSALBASPXCL-RTWAWAEBSA-N 463.582 2.941 50 10 JFGE CN(C1(CCl)CCSCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2114723813 YQCXMFXUWJRKBD-GOSISDBHSA-N 462.996 2.777 50 10 JFGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(Br)CC1)c1ccccc1 2162588207 CPXSAYWLESDWAD-MRXNPFEDSA-N 462.410 2.946 50 10 JFGE C[C@@H](CBr)N1CCN(C(=O)c2cccc(F)c2I)CC1 2169363720 MBJLLYVTULTDBT-JTQLQIEISA-N 455.109 2.972 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179946752 JSORVYBJPMWIGV-VAMGGRTRSA-N 456.450 2.792 50 10 JFGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)C[C@H](C)O1 2296732332 WNVOUBAWLIELCM-IRXDYDNUSA-N 450.520 2.646 50 10 JFGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1cccc(O)c1 2324120334 ASRGHDTXGMHYMI-UHFFFAOYSA-N 462.915 2.525 50 10 JFGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2338850647 UUZLIRJSPOHMDN-BMGDILEWSA-N 487.416 2.703 50 10 JFGE COc1ccc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1B(O)O 2339733933 NLVMGWPFNTUVOJ-VWLOTQADSA-N 488.349 2.877 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](CBr)OCC1(C)C 2364024979 RWLNMSZRTZLDJY-ZETCQYMHSA-N 473.991 2.960 50 10 JFGE Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)cc1 101783675 YNRKTWUARFHJLX-XGIGFIBQSA-N 470.016 2.982 50 10 JFGE O=C(CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(Br)ccc21)Nc1ccccc1 103312169 IWZQVRKAZFELEY-QOMWVZHYSA-N 478.306 2.964 50 10 JFGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 217102657 SHUWAQVBQOIYIJ-SSZFMOIBSA-N 451.435 2.895 50 10 JFGE COCCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 217250118 LRHMEPIDPKDKRV-GAJOTYCWSA-N 465.881 2.840 50 10 JFGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CNC(=O)c1cccs1 725901980 DIDJYOUCQYMDOP-HNNXBMFYSA-N 485.393 2.777 50 10 JFGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 918559126 VAAODTGQIMYYKC-QGZVFWFLSA-N 472.475 2.866 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)COc2cccc(I)c2)c1 1644838373 ULWCPBYXKVEQKK-UHFFFAOYSA-N 451.289 2.669 50 10 JFGE O=C(CCC(=O)c1cccs1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860769608 AJZVUZOCDZJWSS-UHFFFAOYSA-N 466.544 2.997 50 10 JFGE O=C(NCCNS(=O)(=O)CCOCCCl)OCC1c2ccccc2-c2ccccc21 1883175698 AHLSVPWCBVXKRP-UHFFFAOYSA-N 452.960 2.700 50 10 JFGE CC1(C)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2013229281 WDIKNZLZYZACTL-INIZCTEOSA-N 457.390 2.888 50 10 JFGE O=S(=O)(N1CCC(CBr)CC1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179817193 OJWWHAWZRZPCMU-WOJBJXKFSA-N 456.450 2.792 50 10 JFGE CC(C)(C)OC(=O)N1CC[S@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C(C)(C)C1 2189325631 UQTOVHSXGQIVCF-AREMUKBSSA-N 488.470 2.588 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2248419956 LBNCQKVETAIZJE-HSZRJFAPSA-N 478.379 2.607 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1Cc2ccccc2C[C@@H]1CBr 2278969840 LKXRPOVYKDLCEE-QGZVFWFLSA-N 477.380 2.824 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(CCO)c1C 59914336 PECSZJAGGNRHBY-VBYICHLGSA-N 482.614 2.513 50 10 JFGE O=C(Cn1nnc(-c2ccccc2Cl)n1)NN=Cc1cc2c(cc1Br)OCO2 254866849 VDPOEAWHANDWGU-UHFFFAOYSA-N 463.679 2.635 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 920852970 DBQCURVWVNHTCN-BKUYFWCQSA-N 468.517 2.871 50 10 JFGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c1 1084450914 WFXNXBJAWGMKGA-UHFFFAOYSA-N 482.537 2.620 50 10 JFGE C=CC[C@]1(C(=O)NNC(=O)c2cc(Br)cn2C)CCCN1C(=O)OC(C)(C)C 1525077989 IWKZELSQOPSONI-LJQANCHMSA-N 455.353 2.894 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(Br)cc2C)cc1 1632141140 ZDFMAMYQVRZSGN-UHFFFAOYSA-N 454.346 2.772 50 10 JFGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1O 1873794898 HWJJESDILHTWLU-WQGFDPGOSA-N 458.471 2.895 50 10 JFGE CC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2106300493 DDHLQIOYOSZFOF-KRWDZBQOSA-N 454.431 2.860 50 10 JFGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H](C)CN1C(=O)OC(C)(C)C 2106779393 NPFUGJBBJUBRDU-KBPBESRZSA-N 454.431 2.668 50 10 JFGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 2179860351 QJRDJRSSDKZBFP-SFHVURJKSA-N 455.422 2.790 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@@H](CBr)OCC12CC2 2183974568 ONLYNPRMAYVLPN-SNVBAGLBSA-N 452.086 2.765 50 10 JFGE COC[C@@H](CCBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823590 CIFPERZXMYRPCY-OAHLLOKOSA-N 475.405 2.562 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319042471 HUCYSLQHYOOLRD-UHFFFAOYSA-N 470.334 2.939 50 10 JFGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 2325890492 KRIOSEKOFOPOKY-UHFFFAOYSA-N 475.486 2.894 50 10 JFGE O=S(=O)(N1CC(OCc2ccccc2)C1)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2336324386 PMIFXXZJZJMMAQ-UKRRQHHQSA-N 457.312 2.922 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450707 BZXAFZTVBBLEEK-IZZDOVSWSA-N 469.523 2.928 50 10 JFGE CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623283 NFWKJISOUJPLNY-MRXNPFEDSA-N 460.328 2.658 50 10 JFGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13979200 QUWDZOHMIUXVQW-UHFFFAOYSA-N 487.719 2.725 50 10 JFGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 14657246 QTPIFCKJTULGAN-UHFFFAOYSA-N 453.520 2.580 50 10 JFGE CCCN(C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 96021557 HCIOZAMGMNGRKI-IQKNENRKSA-N 463.600 2.637 50 10 JFGE COC(=O)c1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254351267 UHJRQXWDNLNVRJ-UHFFFAOYSA-N 496.501 2.727 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1Br 703972701 GFGSTIVPIXENMS-ROUUACIJSA-N 463.353 2.653 50 10 JFGE O=C(NNc1ccc(F)c(F)c1F)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 728716806 FNOOFDFZMDGZIS-UHFFFAOYSA-N 478.412 2.644 50 10 JFGE O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858956225 OSLFKODIIABDEI-UHFFFAOYSA-N 475.504 2.993 50 10 JFGE Cc1sc2ncn(CC(=O)NNC(=O)CCC(=O)c3ccc(Br)cc3)c(=O)c2c1C 1865851963 LQBNXCPGWPQILH-UHFFFAOYSA-N 491.367 2.648 50 10 JFGE O=S(=O)(c1csc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2123232114 MCPCCWWVUSYAPH-ROUUACIJSA-N 457.415 2.917 50 10 JFGE CC(C)(C)C1CC(CBr)(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C1 2251482195 AVMABWKZCPGAHR-UHFFFAOYSA-N 457.390 2.792 50 10 JFGE Cc1sc(CN(C)C(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2283943947 GTPWNPICBJBHJD-IBGZPJMESA-N 490.431 2.503 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](F)[C@H](Br)C1 2301106180 ISQNXBYSOWXQHZ-HZPDHXFCSA-N 461.353 2.590 50 10 JFGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 2314435445 GKXGNCFHIWJUAD-UHFFFAOYSA-N 454.490 2.978 50 10 JFGE Cn1nc(Br)c(Br)c1C(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2364028042 ADCUZBYMRLWVRL-RYUDHWBXSA-N 471.975 2.762 50 10 JFGE CC1(C)CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 2371146133 ILIVXDARAHJQHH-CABCVRRESA-N 465.454 2.906 50 10 JFGE Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2ccccc21 15093057 PESOOYJYBSGZJS-UHFFFAOYSA-N 459.483 2.630 50 10 JFGE Cc1sc2ncnc(SCC(=O)NNC(=O)c3cc(Br)cn3C)c2c1C 16270109 ZGVFZJCYSBWRKT-UHFFFAOYSA-N 454.375 2.962 50 10 JFGE O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728972407 LKDCTQGUOIAQLU-UHFFFAOYSA-N 488.469 2.708 50 10 JFGE COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1084225581 GVZCLSHCZKDOPE-UHFFFAOYSA-N 482.518 2.945 50 10 JFGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2012892471 SEJGYAXRGNUWCN-HOTGVXAUSA-N 457.390 2.886 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1 2022858664 VHJFERFQWLPOTD-GJZGRUSLSA-N 479.665 2.627 50 10 JFGE C[C@H](Br)[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 2074737875 MWCDDRVAZYEXLR-ONENECBXSA-N 489.285 2.645 50 10 JFGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1c(Br)cccc1Br 2121330751 SPVCRWUGMRZARQ-DTWKUNHWSA-N 475.984 2.502 50 10 JFGE O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)N1CCC(Br)CC1 2162199347 KZRXEGAOPBXAFM-GOSISDBHSA-N 456.450 2.982 50 10 JFGE O=C(c1cc(I)ccc1F)N1CCN2C[C@@H](Br)C[C@H]2C1 2169666834 BQDGOZMQTPXXBA-ONGXEEELSA-N 453.093 2.724 50 10 JFGE O=S(=O)(c1occc1CBr)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179834436 IYMBRAPFYMWPDQ-LJQANCHMSA-N 455.374 2.840 50 10 JFGE O=C(Cc1ccccc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234560385 WJNKYCSRLFCUQB-DOMZBBRYSA-N 450.114 2.704 50 10 JFGE CC1CC(CBr)(CN2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)C1 2265306076 NFLAQLPFMPFXKM-DGSCNEQVSA-N 451.427 2.516 50 10 JFGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2268601523 AFUKMHQIZUZWLL-VWLOTQADSA-N 490.340 2.685 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@@H]2C1 2289338582 NGVOITWJDOVLNY-TXPKVOOTSA-N 454.976 2.501 50 10 JFGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 10276986 LZRZJTDKKMMZLF-UHFFFAOYSA-N 472.567 2.646 50 10 JFGE CCOc1ccc(NC(=O)CCC(=O)NNC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 12491173 AWXIMDNUFUBQED-UHFFFAOYSA-N 457.527 2.992 50 10 JFGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1OC 13983462 UMEXERXEUYYBON-UHFFFAOYSA-N 452.330 2.724 50 10 JFGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1 254705468 HCQUMBBUIRXYSG-UHFFFAOYSA-N 464.511 2.606 50 10 JFGE COc1cccc(-c2c(C(=O)NN=C(C)/C=C\c3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 254767247 ZKWBGNKTWVVIHA-ULFVRCKYSA-N 487.524 2.793 50 10 JFGE NS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 804030675 KUCXHGAUIATLKW-UHFFFAOYSA-N 458.471 2.519 50 10 JFGE CC(=NNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 916298596 HJSLVTVELTZTMO-UHFFFAOYSA-N 453.520 2.832 50 10 JFGE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B(O)O 1887551633 FWZKRQPPIDGNII-UHFFFAOYSA-N 485.393 2.632 50 10 JFGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106295661 JXZJZUANNVBQST-QDMKHBRRSA-N 452.415 2.611 50 10 JFGE O=S(=O)(CC1(CBr)CC1)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2290036431 CDBTWMGCMFIHMW-FQEVSTJZSA-N 457.434 2.858 50 10 JFGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1 2296507052 QTGLIOANOQZSKG-SJORKVTESA-N 464.528 2.538 50 10 JFGE COc1ccc2c(C=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(C(=O)O)[nH]c2c1 2328796787 LUEHRTVWUHIODX-HNNXBMFYSA-N 464.544 2.971 50 10 JFGE COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccnc1)CCC2 1772746340 UTZZIIBKPOCCGC-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE C[C@@]12CC[C@@](CBr)(C1)N(S(=O)(=O)CCCN1C(=O)c3ccccc3C1=O)C2 2022081186 ZJCIIDNPQNFRCR-MOPGFXCFSA-N 455.374 2.642 50 10 JFGE Cn1ncc(Br)c1CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 2143634046 LGDOAYQQAPXPQB-VIFPVBQESA-N 493.059 2.936 50 10 JFGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2268652168 SADAFAOUIPFLOR-HFJWLAOPSA-N 486.377 2.936 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2284015809 RYXCDDHDLKKRSE-HHHXNRCGSA-N 498.388 2.814 50 10 JFGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 2293198131 VLHHACAJABZUEI-UHFFFAOYSA-N 452.379 2.940 50 10 JFGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)Nc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2296562418 PCQLHOUVUJEOFE-SFTDATJTSA-N 481.603 2.874 50 10 JFGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)nc12 2296716170 AWRBCPSAXRJMCY-UHFFFAOYSA-N 483.981 2.747 50 10 JFGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1ccc(OCC(=O)O)cc1 2297635241 WKSVDROOYZJRCB-UHFFFAOYSA-N 474.520 2.561 50 10 JFGE COc1ccc(CCO[C@H]2CS(=O)(=O)C[C@H]2I)c(Br)c1 2364694575 BLKNMDAYXSJOFP-OLZOCXBDSA-N 475.142 2.617 50 10 JFGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])c(C)c1 224936301 NTXAGXRCOAZAOQ-PDGQHHTCSA-N 481.461 2.662 50 10 JFGE C[C@@H]1CCC[C@](CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703975488 VTERMFFWXCNTTB-KUHUBIRLSA-N 457.390 2.936 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NC(C)C)c2)cc1Br 745146184 ALPHBCCKMQQXQM-UHFFFAOYSA-N 485.360 2.611 50 10 JFGE COc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)cc1OC 1084089244 RVJKRUXHKGXXKZ-UHFFFAOYSA-N 468.583 2.817 50 10 JFGE C#CC[C@]1(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCCN1C(=O)OC(C)(C)C 1632087463 FPBATGWFBJOROB-HSZRJFAPSA-N 455.490 2.770 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H](Br)C1 2000532425 JOIRGZHEKKYITE-JCGVRSQUSA-N 461.353 2.636 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCCC[C@@H]1CBr 2046028980 MMDMLGUEHMOWEX-KUHUBIRLSA-N 475.380 2.980 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Cl)ccc1B(O)O 2243679160 TXXDCTVBKIYYRB-CQSZACIVSA-N 464.714 2.886 50 10 JFGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248401376 ICGZWPKKJNNDMF-INIZCTEOSA-N 458.323 2.795 50 10 JFGE O=S(=O)([C@H]1CC[C@@H](CBr)C1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2355844930 HARJQPLNPIAKSJ-HSALFYBXSA-N 457.434 2.857 50 10 JFGE CCOc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O 1084015456 JNZMIQGLXNTORO-UHFFFAOYSA-N 457.508 2.725 50 10 JFGE Cc1ccccc1C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084266827 UWPSUBXWDZLHQV-UHFFFAOYSA-N 452.470 2.772 50 10 JFGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(CCO)c1C 1084443120 PECSZJAGGNRHBY-GOSISDBHSA-N 482.614 2.513 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 1669716622 XGAKTFHRHNAEKB-CXAGYDPISA-N 455.437 2.641 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751897 PMPCFDMJGBTITF-UHFFFAOYSA-N 491.460 2.747 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 1909032163 NPVYQLXLJXTUKB-VVFCZOMOSA-N 455.374 2.546 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CCBr)C1 2046027353 BFCBZZBNFFKZNQ-KUHUBIRLSA-N 475.380 2.838 50 10 JFGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCC1(C)C 2106296769 BTXPHHHUHWDODN-CQSZACIVSA-N 454.431 2.858 50 10 JFGE CCN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106778015 ZLBGYPVZNISFOB-UHFFFAOYSA-N 454.431 2.812 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1[C@@H](Br)C2 2139708158 YRVNIWQDXBOLAV-DTDKCHBMSA-N 487.391 2.882 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CC12CC2 2172011827 ZELXBQLZXDNZDT-AWEZNQCLSA-N 466.442 2.860 50 10 JFGE CN1CCN(C(=O)c2cccc(F)c2I)[C@@H](CCBr)C1 2202834336 IPEYPMLKFBBPFH-JTQLQIEISA-N 455.109 2.972 50 10 JFGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297510244 TXWXVYTXZVMOMY-UHFFFAOYSA-N 468.520 2.687 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1C[C@H](CBr)C1 2301117469 PYONKOUYVQMGIY-SHTZXODSSA-N 457.390 2.936 50 10 JFGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 2313892702 ABKQNTIOWGMVFA-SFHVURJKSA-N 462.531 2.517 50 10 JFGE COC(=O)[C@H](CBr)NC(=O)c1cc(I)ccc1Br 2320393469 GAWBUJYFOFJFQZ-VIFPVBQESA-N 490.917 2.720 50 10 JFGE CN(C)[S@](=O)(=NCC(C)(C)CI)N1CCN(C(=O)OC(C)(C)C)CC1 2326670146 SKYKEKULGNYPKQ-RUZDIDTESA-N 488.436 2.860 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 14033987 LDBFUFFQWXFZOT-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14655662 ZEIMCWNNUVBJIG-UHFFFAOYSA-N 467.301 2.705 50 10 JFGE CCOC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40645767 KZGPZTYYOPWGDX-UHFFFAOYSA-N 467.398 2.970 50 10 JFGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 48573006 KHWYDOBWAFXTCT-DNTJNYDQSA-N 486.653 2.733 50 10 JFGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 217250109 UFFDESBDSVMJKA-BMOGTNHUSA-N 478.924 2.755 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253573368 RIVBLDCISXSBPA-OEAKJJBVSA-N 479.453 2.598 50 10 JFGE CCCOc1ccc(-c2c(C(=O)NN=Cc3sccc3C)nnn2-c2nonc2N)cc1 254310234 QEBOGKYJTCHNGK-UHFFFAOYSA-N 452.500 2.822 50 10 JFGE Cc1ccc(SCc2c(C(=O)NN=Cc3cc(F)ccc3F)nnn2-c2nonc2N)cc1 254394871 VOKDKHWODWGDPC-UHFFFAOYSA-N 470.465 2.875 50 10 JFGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc(CC(C)C)cc1 254491058 CVCFPCBGIMCWAT-MRXNPFEDSA-N 479.589 2.959 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Br 707365656 SQNXIPZBCVRNMZ-JKSUJKDBSA-N 457.390 2.934 50 10 JFGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 920853813 HFRKBDLWCBKMAA-KNVVHKQBSA-N 478.597 2.720 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNc1c(O)nc(=O)n(Cc2ccccc2)c1N 2010825456 LJQRGQKGVUYRDT-UHFFFAOYSA-N 467.617 2.897 50 10 JFGE O=C(Cc1ccccc1I)NCCN1CCC(Br)CC1 2143873009 MUSRRZHMTLVZPG-UHFFFAOYSA-N 451.146 2.809 50 10 JFGE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)N2CCC(Br)CC2)(C(F)F)CC1 2235752241 ZPGVRCPRSAOURT-UHFFFAOYSA-N 476.384 2.715 50 10 JFGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCC[C@H]21 2341947478 HGUYUBMCYDKOOX-HUUCEWRRSA-N 452.415 2.564 50 10 JFGE O=C(NN=Cc1cccc(Br)c1)c1ccn(Cn2cc(Br)cn2)n1 20602329 ANINQTDHJBSFAF-UHFFFAOYSA-N 452.110 2.874 50 10 JFGE Cc1cccc(CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)n(CCN(C)C)c(=O)c43)c3ccccc32)c1 39919011 AARZRNNDHJLQPX-GDLZYMKVSA-N 495.583 2.946 50 10 JFGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CSc1nnc(N)s1 253578293 YDVFUHDFYLREAC-WSDLNYQXSA-N 456.601 2.847 50 10 JFGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(C(C)C)cc2)nnn1-c1nonc1N 254448961 BEHMZNMGWCKVLX-UHFFFAOYSA-N 453.551 2.742 50 10 JFGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCc1cccnc1 1084405852 UOZLQCINIKEISV-UHFFFAOYSA-N 479.924 2.909 50 10 JFGE CSCC[C@@H](C(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1317809303 PICFIKSXDGMAQD-XHSDSOJGSA-N 482.400 2.507 50 10 JFGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(OC)ccc1Br 1464799374 UIDFXECKQBJDLM-HNNXBMFYSA-N 454.321 2.525 50 10 JFGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCN2CCOCC2)c(OC)c1 1865687047 IDJMCDULGZWLRT-QFIPXVFZSA-N 453.543 2.539 50 10 JFGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2cc(B(O)O)ccc21 2256605218 IYDLXZSVPHCFQN-KRWDZBQOSA-N 470.334 2.573 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCc2c(B(O)O)cccc21 2339938694 NZEYITCBCLCNJC-RUZDIDTESA-N 484.361 2.963 50 10 JFGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623488 WHALGQKIBNWOMY-FQEVSTJZSA-N 482.606 2.940 50 10 JFGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 14038026 MKVCXSHYCQXSBC-GFCCVEGCSA-N 452.261 2.659 50 10 JFGE COc1ccc(CCNc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1OC 40583757 DTDPHISWOIAXEC-UHFFFAOYSA-N 483.441 2.722 50 10 JFGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(Cc2ccccc2)CC1 40728828 LJCXPGQVPOKZQY-UHFFFAOYSA-N 482.386 2.900 50 10 JFGE O=C(CNc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253563749 FTZHXZUJVOJWRH-QGMBQPNBSA-N 469.195 2.670 50 10 JFGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc(F)c3)cc2OC)c1 254308506 KYBZSHCLEZDWMA-UHFFFAOYSA-N 479.464 2.942 50 10 JFGE CN(CCO)c1ccc(C=NNC(=O)c2ccc(NN=Cc3ccc(N(C)CCO)cc3)cc2)cc1 254863270 KEEVOKWPISRSBH-UHFFFAOYSA-N 488.592 2.754 50 10 JFGE Cc1ccc(-c2cc(C(=O)NNC(=O)NCCCN3CCCS3(=O)=O)c3ccccc3n2)cc1 726276446 GTYKOAZQRWBIOC-UHFFFAOYSA-N 481.578 2.580 50 10 JFGE CN(C)C(=O)Cn1cc(NC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cn1 727316445 AJRIRQXAJVUTTP-YVLHZVERSA-N 476.928 2.948 50 10 JFGE CC(C)N(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F 778514026 GLDJZMKNUFSVQO-UHFFFAOYSA-N 481.431 2.724 50 10 JFGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 1084303289 BKEZIUKZXOUTLX-UHFFFAOYSA-N 454.346 2.682 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 1471690821 CDWSDDLDJPYFLU-QGZVFWFLSA-N 457.353 2.801 50 10 JFGE O=C(CCC(=O)c1ccc(Cl)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771364 SLPRLWBBULOLJL-UHFFFAOYSA-N 472.954 2.801 50 10 JFGE COc1ccc(-c2ccc(C(=O)NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c(C)n2)cc1OC 1865757929 BAFFKTHVQJTFAJ-OAHLLOKOSA-N 488.500 2.520 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@H]2CCS(=O)(=O)C2)cc1 1866924616 WNEVGFGXQIYPEU-UWJYYQICSA-N 487.603 2.846 50 10 JFGE COc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867217728 WCZQYGZFLLOZJT-INIZCTEOSA-N 453.568 2.777 50 10 JFGE O=S(=O)(NC[C@@]1(CBr)C[C@@H]1C(F)(F)F)N1CC(OCc2ccccc2)C1 1877483335 KHIUHIOTDYUSAP-GJZGRUSLSA-N 457.312 2.685 50 10 JFGE COC(=O)Cc1cc(B(O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520940 HLJPQUVGNNFUFS-UHFFFAOYSA-N 459.307 2.776 50 10 JFGE C[C@H](CCl)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 1994704853 LPJNRZBTYSRGAH-IEBWSBKVSA-N 460.040 2.902 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCBr)C1CCC1 2046028668 KGUIRJLBNVBADT-LJQANCHMSA-N 475.380 2.980 50 10 JFGE C[C@@H](Br)CN1CCN(C(=O)Cc2ccccc2I)CC1 2170227515 ZTIKXIWOTMJYSJ-GFCCVEGCSA-N 451.146 2.761 50 10 JFGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)N1CCCC[C@@H]1CBr)C2 2179819239 JWLKDJUQVRSEPK-XUVXKRRUSA-N 456.450 2.935 50 10 JFGE O=C(NCCNC(=O)c1ccc(B(O)O)cc1C(F)(F)F)OCC1c2ccccc2-c2ccccc21 2267325795 VAIQMTQTABHEPY-UHFFFAOYSA-N 498.266 2.654 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2C[C@H]1[C@@H]2CBr 2316816014 VKZHBNUVNVWVRA-QGTPRVQTSA-N 469.401 2.888 50 10 JFGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1OC 10038220 CIEJGYRIPLUHDO-WEVVVXLNSA-N 463.943 2.780 50 10 JFGE CC[C@@H](Br)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@H]1c1ccccc1 170485625 BJXDPAFVTUDOCP-CZUORRHYSA-N 452.330 2.534 50 10 JFGE CCOc1cc(C=NNC(=O)c2ccc(Br)o2)ccc1OCCN1CCOCC1 254404030 LNPAAAUKDNTOAX-UHFFFAOYSA-N 466.332 2.916 50 10 JFGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(O)c(OC)c2)sc2c1CC[C@@H](C)C2 254873735 PEZXPNOEWMOVEL-GFCCVEGCSA-N 459.524 2.853 50 10 JFGE Cn1cc(C(=O)NNC(=O)NNC(=O)c2ccc(Br)cc2Cl)c2ccccc21 728942478 VGWVPNQSGRFKFT-UHFFFAOYSA-N 464.707 2.883 50 10 JFGE Nn1c(SCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 1084357493 DDMRSEIGIHRREZ-UHFFFAOYSA-N 476.316 2.572 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)cc1 1623062137 PNCPRFLHOKQOMK-SJLPKXTDSA-N 454.527 2.903 50 10 JFGE Cc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1865851657 FQHJFVMAKJYLDY-WCQYABFASA-N 469.523 2.822 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1910946614 QHBYIRSBOWJVIA-HUUCEWRRSA-N 479.665 2.627 50 10 JFGE C[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1CNC(=O)OC(C)(C)C 2106778388 CRNJFKCFBOUEFO-DZGCQCFKSA-N 454.431 2.716 50 10 JFGE O=S(=O)(c1csc(CBr)c1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123232113 MCPCCWWVUSYAPH-QZTJIDSGSA-N 457.415 2.917 50 10 JFGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1cc(I)ccc1O 2195479469 QLSZWUQGYGSNKR-KOLCDFICSA-N 454.102 2.917 50 10 JFGE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=NNC(=O)c1ccccc1O 2314397490 RKBTYJIELBTCRY-UHFFFAOYSA-N 453.476 2.659 50 10 JFGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1I 13977118 SRKWGGRIESDHRN-UHFFFAOYSA-N 467.332 2.868 50 10 JFGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14025112 MPGHETPLDSPPDO-UHFFFAOYSA-N 471.579 2.923 50 10 JFGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1 58987710 MRAOPKIJDAMFED-LPYMAVHISA-N 455.500 2.598 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772748161 ZAGVOLCKPCQDBJ-UHFFFAOYSA-N 465.422 2.634 50 10 JFGE CC(C)[C@H](Br)[C@@H](C)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000535087 XXIGKQVAZDGPBD-MRAWALMUSA-N 463.369 2.738 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@]1(C)CBr 2000540585 FZGLHFCDPPEKGR-QZTJIDSGSA-N 461.353 2.590 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(F)(CBr)CC1 2046023690 UVAIYXVYSMUSAY-KRWDZBQOSA-N 479.343 2.540 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H](CBr)C1 2046028715 KQENXEQVNRJHSZ-TYILLQQXSA-N 475.380 2.884 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2106302257 LNCQFFFBJUIDEQ-AWEZNQCLSA-N 454.431 2.717 50 10 JFGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2106771501 JDLPRUQXPJKFPP-CHWSQXEVSA-N 454.431 2.572 50 10 JFGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301133616 NVVNPDKNATYYFY-RHSMWYFYSA-N 457.390 2.888 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cc(B(O)O)cs1 2301664060 GVOIABDPFRHFMH-OYHNWAKOSA-N 478.379 2.922 50 10 JFGE COc1cc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc(OC)c1OC 12490037 YLVNXZGSLAHUIM-UHFFFAOYSA-N 467.316 2.932 50 10 JFGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2C)cc1 14027405 RBTCFRMLOHYIOM-UHFFFAOYSA-N 479.327 2.848 50 10 JFGE COC(=O)C1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40659558 IZFYBGRFGZRKEC-UHFFFAOYSA-N 499.311 2.603 50 10 JFGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 254570468 GOMLRONMXYCWRW-UHFFFAOYSA-N 481.534 2.651 50 10 JFGE C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877547120 AYGUWTZXCWQGON-LLVKDONJSA-N 456.977 2.580 50 10 JFGE Cc1nc(I)c(NC(=O)C2CC(Cl)C2)c(I)n1 2020460107 NIYPWMRJXRPXLK-UHFFFAOYSA-N 477.471 2.950 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC[C@]1(C)CBr 2046025209 HJMGEXNSAFHUBE-RTBURBONSA-N 475.380 2.980 50 10 JFGE CC[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046033768 MNBANKGTAFAOFK-NRXGSXMXSA-N 475.380 2.836 50 10 JFGE O=S(=O)(N[C@@H]1COC[C@@H]1CBr)c1cc(Br)ccc1Br 2090323081 XRZDIEZUTSOHIQ-OIBJUYFYSA-N 478.000 2.900 50 10 JFGE O=S(=O)(c1ccc(CBr)o1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179867835 BCCHNVLSEIMBQK-QZTJIDSGSA-N 455.374 2.839 50 10 JFGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)CCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2256597310 GEYUKTFZIFGFIQ-INIZCTEOSA-N 461.393 2.560 50 10 JFGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccccc3)cc2)c1 12502158 MBFWOJZUPGKSMX-UHFFFAOYSA-N 462.531 2.962 50 10 JFGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1OCCOc1ccccc1 13629797 TYXPUGPSMOPNKK-GOSISDBHSA-N 463.490 2.547 50 10 JFGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)ccc1Br 14010949 ZJBAIHWWELTIDA-UHFFFAOYSA-N 463.328 2.850 50 10 JFGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 14041891 CCFOSGGWJNCWJP-UHFFFAOYSA-N 494.529 2.931 50 10 JFGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 59159743 YRWZAACRRLPNEI-FCDQGJHFSA-N 473.327 2.504 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607206 PNDCYWZVJDQMRP-LFVJCYFKSA-N 479.449 2.563 50 10 JFGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)c1cc(Br)ccc1Br 709431797 QSLXDQMYUPKJGE-NXEZZACHSA-N 478.000 2.994 50 10 JFGE N#CC1=CCN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)CC1 1630798869 IASGUEIHRVGUSG-LJQANCHMSA-N 451.552 2.795 50 10 JFGE C=CC(C)(C)CNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1686493211 IJXLZLQJVQDBFH-UHFFFAOYSA-N 458.584 2.972 50 10 JFGE O=C(NCCNS(=O)(=O)CI)OCC1c2ccccc2-c2ccccc21 1879948997 BAFNGPYJXSQJLL-UHFFFAOYSA-N 486.331 2.837 50 10 JFGE CC[C@@]1(NS(=O)(=O)CI)CCCN(C(=O)OCc2ccccc2)C1 1884480066 RWZAICPLEWYORW-MRXNPFEDSA-N 466.341 2.880 50 10 JFGE CC(C)(C)OC(=O)NC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2162589301 OXXZUAIXBOXHQZ-SFHVURJKSA-N 466.442 2.765 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204526503 QGSZAUVHFRCLPF-DLBZAZTESA-N 467.376 2.712 50 10 JFGE CN(C)c1ccc([N+](=O)[O-])cc1C=NNC(=O)CNc1ccccc1I 2297710619 ZBPAVDYCGKAOGD-UHFFFAOYSA-N 467.267 2.828 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@H]2[C@@H]1CBr 2316815298 LYLDPAATASSKEI-OLMNPRSZSA-N 469.401 2.888 50 10 JFGE C/C(=N/NC(=O)CCCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 58989962 QIGZYSWQFLQEOO-QRVIBDJDSA-N 483.510 2.709 50 10 JFGE N#C/C(=C/N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Br)cc1 100055603 FNEVRVHRKQHUTO-SSZFMOIBSA-N 450.314 2.639 50 10 JFGE CN1C(=O)C(=NNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c2ccccc21 254875099 XJNLMLDJWXGASH-ULXXZTOXSA-N 469.457 2.863 50 10 JFGE O=C(NCC1(CBr)CCOCC1)c1ccc(I)c(O)c1 700910794 FMHGBXNHCHQEHM-UHFFFAOYSA-N 454.102 2.918 50 10 JFGE COc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)N/N=C\c2ccccc2OCC(=O)O)c1 1083102368 DDICRPYPWGQEMD-UUYOSTAYSA-N 489.531 2.785 50 10 JFGE C=C1c2ccccc2C(=O)N1CC(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 1654393312 GGEFYCUXQKGFGE-UHFFFAOYSA-N 455.521 2.514 50 10 JFGE Cc1nc(I)c(I)n1-c1ncn(C)c1CCl 1982523816 LSADDRYDDBHBHN-UHFFFAOYSA-N 462.460 2.862 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(CO)CCCN1C(=O)OC(C)(C)C 2022806374 HZTXLHDBSKLZDS-HXUWFJFHSA-N 479.665 2.771 50 10 JFGE COc1ccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1OCCN1CCOCC1 2295635834 YAWFGJIIVAZKBR-UHFFFAOYSA-N 465.506 2.723 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@H]2C[C@@H]12 2309229328 SVLOODURVWYFMY-LIRZEXBASA-N 469.401 2.792 50 10 JFGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)[C@H]1C[C@H](CBr)C1 2364335498 GSJZPUPDOCGVMS-ZKCHVHJHSA-N 494.047 2.880 50 10 JFGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 13979063 JKXIYDUUSRQQRD-UHFFFAOYSA-N 467.345 2.976 50 10 JFGE COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254515874 MWVLJGWDJCOGQR-IRXDYDNUSA-N 464.522 2.955 50 10 JFGE C[C@@H]1COCCN1CCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 729385443 GIIQXNRAWVPOEN-HNMKQIAWSA-N 452.946 2.861 50 10 JFGE C=C(Br)COC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 918948692 CMOOXEKAMASZJF-DHDCSXOGSA-N 459.300 2.793 50 10 JFGE COC(=O)COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1OC 1084226764 MBJDGEYPLGXVRH-QGZVFWFLSA-N 479.327 2.973 50 10 JFGE C#CCCCCNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1685612966 PNBSSVKPOXOYOP-UHFFFAOYSA-N 456.568 2.563 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@H]1CCCO1 1926746661 QXPPKECVPWNHBT-HUUCEWRRSA-N 487.416 2.561 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 1997914662 NIGVKPZGSZGWNC-DLTLXFJOSA-N 455.374 2.544 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](C)(CBr)C1 2046024163 YFSQUOHTPMZIBB-MOPGFXCFSA-N 475.380 2.838 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC1CC(Br)C1 2063144444 SBVLMPYXPQWAPH-UHFFFAOYSA-N 462.989 2.998 50 10 JFGE Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@H]1C[C@H]1Br 2076165289 OOFOWVRXYPGQTB-IYSWYEEDSA-N 462.989 2.856 50 10 JFGE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2106298823 RABOXEYFIFUKED-CTYIDZIISA-N 454.431 2.764 50 10 JFGE CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)C1=CNc1cc(C(=O)O)ccc1Cl 2296535504 MXKMVFPFZNKJBL-UHFFFAOYSA-N 456.886 2.555 50 10 JFGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccco4)c(C)c32)c1 101613093 GBMBAMZJSBUHKP-LFVJCYFKSA-N 450.451 2.735 50 10 JFGE COC(=O)[C@@H](I)CNC(=O)c1scc(Br)c1Br 705399145 ISTGWIZOLQXWJT-YFKPBYRVSA-N 496.946 2.980 50 10 JFGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816333 IARNMCBMGRYQRT-UHFFFAOYSA-N 465.597 2.864 50 10 JFGE C=C[C@](C)(O)C(=O)NNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 1650640204 UIDHFKUFSQYGEN-DEOSSOPVSA-N 451.479 2.626 50 10 JFGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866868582 VMJSUJPKDDCOPQ-RBUKOAKNSA-N 469.592 2.714 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@H](C2CC2)C1 2030217729 FLZMSMXOYFYNGD-ROUUACIJSA-N 469.401 2.888 50 10 JFGE OB(O)c1cc(Br)cnc1Nc1ccc(Br)c(Br)c1 2231665929 ADYAQKYRWCSCBN-UHFFFAOYSA-N 450.721 2.793 50 10 JFGE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2257376743 JEBYUYGVSLOVBT-GOSISDBHSA-N 472.350 2.863 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2364196834 FHFQCTLERDDGQQ-HRAATJIYSA-N 499.427 2.516 50 10 JFGE Cn1ncc(C(=O)N2CCC[C@@H](Br)[C@@H]2C(F)(F)F)c1I 2370243321 NRIIQVZBVUVARD-HTQZYQBOSA-N 466.039 2.955 50 10 JFGE COC(=O)c1ccccc1Nc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40645632 FQUKXGKPPOYQMP-UHFFFAOYSA-N 453.371 2.580 50 10 JFGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 40658529 RPUSMYKASGQDQF-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207176559 KIAXFLLOBMVXHJ-PDGQHHTCSA-N 452.463 2.697 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)(F)F 703965689 TVFJVKSFFNWZDQ-UHFFFAOYSA-N 485.322 2.898 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCBr)CC1 703967751 TXJMMEHEMJWMAR-UHFFFAOYSA-N 487.416 2.515 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3scnc3C)cc2)cc1 729452846 KGMGGIIVHFETAW-UHFFFAOYSA-N 458.521 2.530 50 10 JFGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cc1 729834154 VAERFMAFJDBPCU-UHFFFAOYSA-N 451.495 2.778 50 10 JFGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1O 1084339392 NGWOAXZEEPXUJZ-UHFFFAOYSA-N 455.208 2.606 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)c2nnn(-c3ccccc3Br)c2C)c1 1651317587 OCBMOBQPEPGKGL-UHFFFAOYSA-N 455.341 2.951 50 10 JFGE COc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccncc2)CCC3)cc1 1772745477 BHQQDHHORKYLBY-UHFFFAOYSA-N 461.478 2.537 50 10 JFGE CCN(C(=O)[C@H](Br)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1858181167 FVHBKMJCPNFWQD-TZMCWYRMSA-N 453.196 2.791 50 10 JFGE C[C@@H]1CC[C@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022361 JODJVNRHYMAENK-PJIJBLCYSA-N 475.380 2.836 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](Cl)C(F)(F)CC1 2108233698 ISCHHHLSKQJTCX-WMLDXEAASA-N 452.882 2.679 50 10 JFGE O=C(c1cc(I)sn1)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 2120030218 BRCSLPNQURWQJZ-UFBFGSQYSA-N 457.131 2.906 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCC(Br)CC2)C1 2124679384 SGGDFRHWODZJAZ-LJQANCHMSA-N 487.391 2.980 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]2CC[C@@]21CNS(=O)(=O)N1CCC(Br)CC1 2162601807 MOQRJXVZYOYARY-KBXCAEBGSA-N 466.442 2.860 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2163050831 NMVRHHLKNSQXBS-HOCLYGCPSA-N 466.442 2.812 50 10 JFGE O=S(=O)(CCC(F)(F)CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506234 KERQPYRYINNOII-IAGOWNOFSA-N 467.376 2.712 50 10 JFGE BrCCOCCOCc1cn(-c2cccc(I)c2)nn1 2189873921 VTAIMANQONVRNL-UHFFFAOYSA-N 452.090 2.800 50 10 JFGE CCCN(C[C@@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2250562666 KPOOEPSRJPCOJT-ACJLOTCBSA-N 463.369 2.836 50 10 JFGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C 2268607927 GEBAZZCSVPRMAQ-VWLOTQADSA-N 488.349 2.877 50 10 JFGE COc1cc(C=NNC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc([N+](=O)[O-])c1O 2323652886 MKNFQMUYYVJIGM-UHFFFAOYSA-N 456.842 2.936 50 10 JFGE CO[C@@H]1C[C@@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338683545 CXHDVGSAOSAVMS-NKWVEPMBSA-N 459.964 2.570 50 10 JFGE COC[C@]1(CBr)C=CCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2379841819 JUKMTBITCMIISZ-OAQYLSRUSA-N 499.427 2.825 50 10 JFGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)c(Br)c1 12571079 KNNAMHFRPNWMQC-UHFFFAOYSA-N 493.383 2.577 50 10 JFGE COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 206489814 DHUWJKOVTWGFNF-LGMDPLHJSA-N 461.474 2.849 50 10 JFGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1084054258 JJCAPFUKHTVIEK-UHFFFAOYSA-N 451.310 2.986 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@]2(C)C[C@@H]2Br)cc1 1533370448 AGCFOSJJXVGZCA-AOIWGVFYSA-N 457.390 2.722 50 10 JFGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4)c(=O)c23)C1 1865851981 MDMWEHKKMGTXBK-CHWSQXEVSA-N 474.970 2.851 50 10 JFGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1 1866812549 FVJWJOGDYBCRJV-HXUWFJFHSA-N 489.619 2.837 50 10 JFGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c2cc1OC 1873793121 XRRHQURATNYEJI-QCXKMSLLSA-N 460.487 2.733 50 10 JFGE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106779395 NPFUGJBBJUBRDU-UONOGXRCSA-N 454.431 2.668 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 2106989794 XTZLCRGZYHJPQK-IUODEOHRSA-N 497.333 2.898 50 10 JFGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860945 YGMNTAXSDBZAIH-UHFFFAOYSA-N 455.496 2.538 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2CCO[C@]2(CCl)C1 2364205970 PBVTYYQBFDFTJQ-IIBYNOLFSA-N 454.976 2.503 50 10 JFGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1ccncc1 12503330 MQLLYYVOIOBOJU-UHFFFAOYSA-N 459.325 2.712 50 10 JFGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cccc1C 14662504 HMCXXAJBMRGRKE-UHFFFAOYSA-N 451.317 2.931 50 10 JFGE COc1ccc(Nc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])c(OC)c1 40619625 RYMLXIFKCFLYRR-UHFFFAOYSA-N 455.387 2.811 50 10 JFGE COc1ccc(/C=C\C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1OC 96872882 CHOVIHPORBGIKL-LCYFTJDESA-N 470.503 2.745 50 10 JFGE N#C/C(=C\c1ccccc1)C(=O)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@H]1c1ccccc1 170514203 OQYLUXVZNBVZGS-MKRMIXIUSA-N 458.499 2.968 50 10 JFGE CN(CC1CC(Br)C1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703990067 KSZDZIZCCJIMLD-UHFFFAOYSA-N 457.390 2.744 50 10 JFGE C=C(C)CONC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1144640465 XVUDCGIUVJATKD-OVCLIPMQSA-N 458.316 2.719 50 10 JFGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 1665220126 QWAORCDKMLQXLC-GFCCVEGCSA-N 455.439 2.506 50 10 JFGE O=C([C@H](Br)Cc1ccccc1Br)N1CCN(c2ncccn2)CC1 1858181541 WINQHAHNXICFHD-OAHLLOKOSA-N 454.166 2.894 50 10 JFGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)c4cc(Cl)ccn4)c(=O)c23)cc1 1865845068 HDVDABQRGCQQGX-UHFFFAOYSA-N 453.911 2.943 50 10 JFGE C[C@@H]1[C@@H](Br)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539973 NAPZYMIJSSZGMJ-HNJNHCNJSA-N 461.353 2.588 50 10 JFGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C[C@H]1c1ccccc1 2007719374 IKMVTKVAFQJJPZ-KBPBESRZSA-N 466.341 2.701 50 10 JFGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046029233 OZZWAXQOVBVOKT-DJJJIMSYSA-N 475.380 2.694 50 10 JFGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H]1CBr)CC2 2108243028 IAAYABUVQPYJFN-IFXJQAMLSA-N 487.391 2.980 50 10 JFGE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2231934310 GMERYMGHXSEAQE-OAHLLOKOSA-N 454.431 2.812 50 10 JFGE Cc1cc(CN(C)C(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)sc1B(O)O 2256642140 TYUKMOFRGYEYRN-UHFFFAOYSA-N 460.405 2.912 50 10 JFGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3cccc(C)c3)c3ccccc32)cc1 2297708625 ZFRFUFJDJFXKLT-UHFFFAOYSA-N 469.501 2.748 50 10 JFGE C[C@@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1C[C@H]2Br 2307515219 SCMMJPZZSPHKKZ-UESRRSCYSA-N 455.374 2.544 50 10 JFGE O=C(NCC(F)(F)C(F)(F)CI)c1ncncc1Br 2336539796 WEASQGOBPHUHJR-UHFFFAOYSA-N 455.975 2.675 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1C[C@H](Br)CCO1 2338852295 MVAKQHKOILOYSK-CVEARBPZSA-N 487.416 2.705 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC2(CC[C@H](CCl)O2)C1 2364196739 DOWWQLUMLAXKLA-MRXNPFEDSA-N 454.976 2.645 50 10 JFGE COC(=O)COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1OC 58890054 MBJDGEYPLGXVRH-NSTHGIQOSA-N 479.327 2.973 50 10 JFGE COc1ccc(C=NNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1CN1CCN(c2ccc(F)cc2)CC1 254396137 LIBPLUGVWROMHP-UHFFFAOYSA-N 495.515 2.562 50 10 JFGE CS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1 1115981531 DNZFORUMCPXGDT-UHFFFAOYSA-N 476.146 2.690 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c1 1637294906 DZRHJUBKARSUAE-JOCHJYFZSA-N 457.556 2.532 50 10 JFGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860771211 NBWWTCJGGPGLEN-NWDGAFQWSA-N 485.522 2.522 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 1892720545 QOLNVLDMUJJJBU-PXAZEXFGSA-N 497.333 2.693 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCSC[C@@H]1CBr 1942088843 MTQUZUXSALQEQZ-AWEZNQCLSA-N 475.430 2.595 50 10 JFGE C[C@H](Br)C1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1942099606 VKBSJEDATPBOPA-AWEZNQCLSA-N 457.390 2.888 50 10 JFGE CC1(C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 1944087059 HPPWKCXRMAJTES-MRXNPFEDSA-N 457.390 2.888 50 10 JFGE CC1(C)CC(CBr)(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1996442954 JDXAQDZTNGMDSK-UHFFFAOYSA-N 457.390 2.793 50 10 JFGE CN(C[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(=O)OC(C)(C)C 2106775988 CMKIKVQYCIJZEF-AWEZNQCLSA-N 454.431 2.669 50 10 JFGE CN(CCCBr)S(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 2179863527 NQNKSZRAEHFLKX-WTGUMLROSA-N 456.450 2.790 50 10 JFGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2268608262 HANLIKQMSSZLNZ-AREMUKBSSA-N 484.361 2.819 50 10 JFGE Cc1c(Cl)cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1B(O)O 2282299913 YHEGQNWJAIIASC-UHFFFAOYSA-N 478.785 2.529 50 10 JFGE O=C(N1CCC[C@H](C2CCN(CCOCCI)CC2)C1)C(F)(F)F 2326647017 LOFFWISSIYPFSN-AWEZNQCLSA-N 462.294 2.951 50 10 JFGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 13980537 SWRHWBDJPQSGOR-CQSZACIVSA-N 475.567 2.940 50 10 JFGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 13997449 JCNODLLFKQDKJC-JTQLQIEISA-N 450.344 2.516 50 10 JFGE COc1cc(C=NNC(=O)c2nonc2N)ccc1OC(=O)c1cc(F)c(F)cc1Cl 252642491 ZMCWKVSLIYNNGT-UHFFFAOYSA-N 451.773 2.575 50 10 JFGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1OC 254516592 JUAINNUGEMUJIN-UHFFFAOYSA-N 467.503 2.865 50 10 JFGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1 1084271539 LWGGVIKNTMGBNJ-UHFFFAOYSA-N 478.530 2.943 50 10 JFGE O=C(CN1CCOCC1)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 1084527128 RQZBEUORDPCIPF-UHFFFAOYSA-N 450.308 2.950 50 10 JFGE Cc1cc(C)cc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 1084552314 QLHBAUWXDFJTMF-UHFFFAOYSA-N 455.580 2.925 50 10 JFGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745944 LUWKESZMOQURNQ-UHFFFAOYSA-N 465.422 2.634 50 10 JFGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3C)cc1OC 1865708465 AEFJHKZYWGKXRB-JOCHJYFZSA-N 453.543 2.983 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1CCC[C@H]1Br 2046029181 OKXCOTVUWHVWMR-CRFBAAHOSA-N 475.380 2.884 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H](Br)C1 2046029898 UICVMZJGYVZIIU-TYILLQQXSA-N 475.380 2.884 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2078143203 NVZOJUORMVEETO-MGPUTAFESA-N 469.401 2.890 50 10 JFGE CC1(C)CC[C@H](CBr)N1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2084961074 RPHBWIZZEQLSCO-YJYMSZOUSA-N 475.380 2.979 50 10 JFGE C[C@@H](COc1ccc(B(O)O)c(C(F)(F)F)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C 2223652841 MDNICJFZNTVPPL-AWEZNQCLSA-N 454.254 2.985 50 10 JFGE CO[C@H]1[C@@H](CBr)N(C(=O)c2sccc2I)C[C@H]1OC 2225083854 QQMWXPDPKFWNKK-BBBLOLIVSA-N 460.131 2.602 50 10 JFGE O=C(c1ccc(F)cc1I)N1C[C@@H]2COC[C@]2(CBr)C1 2234579190 IQUJXGPNONWWJA-OTYXRUKQSA-N 454.077 2.914 50 10 JFGE O=S(=O)(Nc1cc(F)ccc1I)N1CCC(Br)CC1 2271696271 JGCSKSNDXTVGCX-UHFFFAOYSA-N 463.110 2.946 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](Br)[C@@H]2CC[C@@H]21 2310811314 HWLHFNSCZJSBSF-BBWFWOEESA-N 469.401 2.886 50 10 JFGE CC(C)[C@@H]1C[C@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2321461885 LWSDAYYRVVYVSY-AXHNFQJDSA-N 475.380 2.834 50 10 JFGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 10455870 XOSNPZMFKULYHQ-UHFFFAOYSA-N 476.514 2.675 50 10 JFGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14660510 KMEBZSVBUKLLDJ-UHFFFAOYSA-N 465.959 2.697 50 10 JFGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 34762285 YFCYASFNLDBCBM-CWDSQJGSSA-N 492.557 2.568 50 10 JFGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4F)c3[N+](=O)[O-])CC2)cc1 40611227 ISRQULOARWOSHO-UHFFFAOYSA-N 467.461 2.616 50 10 JFGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cc(Cl)ccc1O 59167462 SMGWLUWXWQEOER-SZXQPVLSSA-N 488.887 2.823 50 10 JFGE COc1cccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1O 1084652524 YCRXHEPMBCGYBJ-UHFFFAOYSA-N 451.932 2.605 50 10 JFGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 1214687518 RFFVXUWPWDSNCQ-UHFFFAOYSA-N 454.508 2.818 50 10 JFGE C#CCCCC(=O)NNC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1646462661 VUKGAKDOGIFGJM-OAQYLSRUSA-N 456.340 2.800 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@H](C2CCN(S(=O)(=O)CI)CC2)C1 1990088563 QNXDMDNIHNZVKA-ZDUSSCGKSA-N 458.362 2.678 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@](CBr)(C(F)(F)F)C1 2048757291 QUVYGRHBNFIDMN-INIZCTEOSA-N 483.306 2.652 50 10 JFGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1c(Br)cccc1Br 2121330752 SPVCRWUGMRZARQ-IUCAKERBSA-N 475.984 2.502 50 10 JFGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2163052286 BWLNKZJGBGLHTQ-CABCVRRESA-N 466.442 2.669 50 10 JFGE COCCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824049 IDDIGRAANBGGRC-UHFFFAOYSA-N 475.405 2.516 50 10 JFGE CO[C@H]1C[C@H](CBr)N(C(=O)c2c(Br)c(Br)nn2C)C1 2338683546 CXHDVGSAOSAVMS-RQJHMYQMSA-N 459.964 2.570 50 10 JFGE COCCNC(=O)/C(C#N)=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 6904881 MKOXPSZILXLEHL-XYOKQWHBSA-N 465.293 2.511 50 10 JFGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 13977669 ZFRRLTRGSFUIOB-UHFFFAOYSA-N 452.261 2.525 50 10 JFGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)cc2)c(Br)c1 13979137 KBZXFXNVPKSUJS-UHFFFAOYSA-N 466.357 2.735 50 10 JFGE CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(OC)c(I)c1 14024401 NGOKNUKJRMMYIG-HNNXBMFYSA-N 454.264 2.918 50 10 JFGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 59384195 MATDQNKQDSZQCZ-QKXOWGBTSA-N 455.496 2.555 50 10 JFGE COc1ccccc1C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c1ccccc1OC 100099274 CWIXUBWBYXUPBT-UHFFFAOYSA-N 484.553 2.657 50 10 JFGE CC(=O)N[C@H]1[C@H](OC(=O)CCl)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H]1OCc1ccccc1 245189407 FRIJYIDOBDHXKU-KIWDTVIVSA-N 475.925 2.698 50 10 JFGE O=C(Cn1nnc2ccccc21)NN=Cc1cc(Br)c(O)c(Br)c1 252628232 SLIUTXHCQYNYPN-UHFFFAOYSA-N 453.094 2.812 50 10 JFGE COc1cc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 254308117 ITBSASPLBJXOAF-UHFFFAOYSA-N 456.499 2.666 50 10 JFGE O=C(NN=Cc1ccc([N+](=O)[O-])c(O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254505803 UFQYLKWYYISHBD-SZNSTCJBSA-N 474.429 2.950 50 10 JFGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749030 VREZAURFIKBHCV-UHFFFAOYSA-N 488.932 2.512 50 10 JFGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942088118 JVNNIEJBBPNOBD-HUUCEWRRSA-N 457.390 2.888 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(S(=O)(=O)CI)C1 1983327857 QVRQVYLAUTZLBJ-OLZOCXBDSA-N 458.362 2.820 50 10 JFGE CC(C)(C)OC(=O)N1CC(N(CC2CCCC2)S(=O)(=O)CI)C1 1983327940 ROZMRZUZGOVFMV-UHFFFAOYSA-N 458.362 2.820 50 10 JFGE CC(C)[C@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002414789 XGDJOCJHZPROHB-MRXNPFEDSA-N 459.406 2.990 50 10 JFGE C[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]1CNC(=O)OC(C)(C)C 2106778390 CRNJFKCFBOUEFO-UKRRQHHQSA-N 454.431 2.716 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2C[C@@H](Br)CC[C@H]21 2108234740 RAOIWLNOYSJAIP-QRKDATQKSA-N 487.391 2.979 50 10 JFGE COc1cc(C(=O)NNC(C)=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(OC)c1OC 2313682238 YHCUKTOTBYFXIQ-UHFFFAOYSA-N 469.454 2.552 50 10 JFGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 10040811 KRCFYNWDEJLAEK-IZZDOVSWSA-N 464.341 2.572 50 10 JFGE O=C(NNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc2cccnc12 728506494 SLQOHWUIMRGBCT-UHFFFAOYSA-N 451.258 2.529 50 10 JFGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 1084516186 HAHVMCLVZGWWQX-UHFFFAOYSA-N 466.450 2.681 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2c(F)cc(F)cc2F)cc1 1456710795 HXQOQAPBVXJNLN-SFHVURJKSA-N 455.458 2.993 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 1651317634 POCZITNPYHTIMI-HKWRFOASSA-N 455.503 2.930 50 10 JFGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1914636091 AFWQPMJAOGDZPE-OAHLLOKOSA-N 465.369 2.898 50 10 JFGE N#CC1=CCN(C(=O)c2cc(I)cc(I)c2O)CC1 1917090876 UFRRCEUWBTYANI-UHFFFAOYSA-N 480.043 2.897 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(CBr)CC12CCC2 1948581667 UEWYDFWOCQVBCD-LJQANCHMSA-N 455.374 2.547 50 10 JFGE CC(C)(C)OC(=O)N1CCC[C@]2(CNS(=O)(=O)CI)CCC[C@H]12 1983326995 HPKAUDLJNQPBOH-WFASDCNBSA-N 458.362 2.868 50 10 JFGE CCCc1cc(O)nc(NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)n1 2079437287 LTBVFJVTWMWSTI-UHFFFAOYSA-N 469.523 2.895 50 10 JFGE CC(C)(C)OC(=O)N1CCN(C[C@H](CBr)C2CCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2106787876 LFBRUPRUMZMBJT-ARFHVFGLSA-N 451.427 2.516 50 10 JFGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162603032 SNOCDPIZDRKGIL-JJXSEGSLSA-N 461.378 2.540 50 10 JFGE C[C@H](Br)CN1CCN(C(=O)c2cc(I)ccc2F)CC1 2170220780 KEIWXRZSXPBACX-JTQLQIEISA-N 455.109 2.972 50 10 JFGE O=S(=O)(N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)N1CCCC[C@@H]1CBr 2179809836 YRRKFLTYNYUDJF-XUVXKRRUSA-N 456.450 2.935 50 10 JFGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC)ccc1OC(C)=O 2295353419 WAOCSXANWJJJAW-UHFFFAOYSA-N 471.491 2.812 50 10 JFGE CCN(C(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 2297425638 UDWSAHJOJIXROL-WIYYLYMNSA-N 463.600 2.635 50 10 JFGE CCOC(=O)N1CCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)CC1 2325409391 IALRYMDQRITHIG-UHFFFAOYSA-N 468.295 2.720 50 10 JFGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1cccc(Cl)c1 12501541 NVIVDBFHKFPUKJ-UHFFFAOYSA-N 459.696 2.894 50 10 JFGE O=C(O)c1csc(S(=O)(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 13300389 YXEGCKYPWSZIBL-UHFFFAOYSA-N 450.469 2.788 50 10 JFGE Cn1cccc1/C=N\NC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 230040808 HVVKACFXIYXKCX-VUEJKHDWSA-N 459.543 2.720 50 10 JFGE C=CCc1cc(C=NNC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(OC)c1O 252615600 JTGACLYZOKYVIV-OAQYLSRUSA-N 453.495 2.763 50 10 JFGE CC(=NNC(=O)c1scnc1C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 729640524 LAKYMVGXPVADDH-UHFFFAOYSA-N 472.548 2.782 50 10 JFGE CC(C)NC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 1084081490 REFRVFNZMMMHRR-UHFFFAOYSA-N 451.310 2.986 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1 1632133952 GUSLONDOWUYJMZ-UHFFFAOYSA-N 454.430 2.591 50 10 JFGE O=C(COc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859005527 UELNUJOUXNFMBY-UHFFFAOYSA-N 499.501 2.810 50 10 JFGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860771513 YXTFYXHIABNITP-OLZOCXBDSA-N 467.551 2.563 50 10 JFGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1914632933 ITOUXPZHCLYTHM-JTQLQIEISA-N 452.172 2.552 50 10 JFGE CC[C@H](C)[C@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1993397684 RBFITSOIAVRZAB-BBRMVZONSA-N 492.379 2.832 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C2(CCC2)C1 2000816318 SZHVORPIGXGWCH-INIZCTEOSA-N 455.374 2.642 50 10 JFGE CC(C)(C)[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025560 KBNYAZCRSRKDRA-BFUOFWGJSA-N 477.396 2.987 50 10 JFGE O=S(=O)(N1CCC[C@H](CCBr)C1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 2188882234 DNZFCYMFDZGUOL-AQNXPRMDSA-N 456.450 2.935 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CBr)C1 2239159480 XPCJUHZFYSNECY-RXVVDRJESA-N 499.427 2.659 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1CBr 2310100046 YNIGWTMGBGVHBN-YGOSVGOTSA-N 473.364 2.588 50 10 JFGE COc1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])c(OC)c1 40619641 FKCSRFHJHLKQTJ-UHFFFAOYSA-N 469.414 2.740 50 10 JFGE COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 103593721 SPJRMWYJVUUJOU-WGOQTCKBSA-N 451.483 2.631 50 10 JFGE O=C(CCOc1ccccc1)NNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727477825 PDFXTCNTFXBMNW-UHFFFAOYSA-N 481.431 2.946 50 10 JFGE COc1cc(C=NNC(=O)CNS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084603446 FBPZSZSOPCROSW-UHFFFAOYSA-N 453.520 2.703 50 10 JFGE CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)CI)sc2c1 1865947520 HVRYBTCGLTVHQJ-UHFFFAOYSA-N 453.327 2.604 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1CCBr 1942935718 ZFAKKVVAIRDTPY-WMLDXEAASA-N 457.390 2.936 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2008065906 CSPIRPBRMKRJNA-IAOVAPTHSA-N 455.374 2.640 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 2041123410 BLZFQNQDDXVZEV-CYBMUJFWSA-N 479.343 2.887 50 10 JFGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)c1cscn1 2055482565 ZAGKRERAYDWXCZ-GUYCJALGSA-N 490.376 2.523 50 10 JFGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 2173135867 YHWSQZKUMDQJOJ-HNNXBMFYSA-N 499.427 2.657 50 10 JFGE O=C(N[C@H](CBr)C[C@H]1CCOC1)c1ccc(I)c(O)c1 2195479628 RPVFCZFHULVXTE-KOLCDFICSA-N 454.102 2.917 50 10 JFGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2269535366 AXTOVAZLRHDOSK-AREMUKBSSA-N 486.377 2.936 50 10 JFGE O=C(NC[C@@H]1CC[C@H](CBr)CO1)c1cc(I)ccc1O 2279407964 KPDJSLYXHBTEJQ-KOLCDFICSA-N 454.102 2.917 50 10 JFGE Cc1sc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2284061757 GTPWNPICBJBHJD-LJQANCHMSA-N 490.431 2.503 50 10 JFGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](Br)C2 2306256036 GVBUOKHKXRTQPO-JQFCIGGWSA-N 455.374 2.640 50 10 JFGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2317671851 REDIRNFZWJDEMY-JOCHJYFZSA-N 490.390 2.630 50 10 JFGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 2325053099 QOMLJWMKLKOQCK-IBGZPJMESA-N 498.605 2.603 50 10 JFGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 13619744 MWKJSJUYDGCOLG-NRFANRHFSA-N 456.495 2.651 50 10 JFGE COc1ccc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 254438587 ACZTZCJROPTJPH-UHFFFAOYSA-N 468.491 2.949 50 10 JFGE COC(=O)[C@H](I)CNC(=O)c1scc(Br)c1Br 705399105 ISTGWIZOLQXWJT-RXMQYKEDSA-N 496.946 2.980 50 10 JFGE COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)NCc2ccnc(C)n2)cc1OC 918660934 HMOUNNHCQPAMQX-WQRHYEAKSA-N 457.494 2.803 50 10 JFGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc(OC)c1OC 1084319548 RXKGPNQRMPSNPH-UHFFFAOYSA-N 469.523 2.817 50 10 JFGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)COc3ccccc3-c3ccccc3)CCC[C@H]2C1 1229620169 KKNBVJCBWPPPOX-NNWRFLSQSA-N 450.539 2.710 50 10 JFGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(F)c(F)cc2F)cc1 1295114433 FZSGSZUEOLCFFX-IBGZPJMESA-N 455.458 2.993 50 10 JFGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)COc3cc(C)cc(C)c3)c2C)C1=O 1466797362 QSCXLXWBISOMQK-UHFFFAOYSA-N 453.499 2.632 50 10 JFGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)c1 1651317299 GRZGKPPEVNYUDP-GOSISDBHSA-N 456.955 2.952 50 10 JFGE CC(C)(C)OC(=O)NCCSSCCN[C@@](CF)(CNC(=O)OC(C)(C)C)C(=O)O 1904430300 PTXBAVLUJUOEHC-SFHVURJKSA-N 471.617 2.800 50 10 JFGE CC[C@@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542518 KRDDIIBRIPAILS-UGSOOPFHSA-N 463.369 2.741 50 10 JFGE NNC(=O)[C@H]1C[C@@H]1COc1c(I)cc(Cl)cc1I 2028051035 KGALQVUSSRKBMJ-VDTYLAMSSA-N 492.482 2.554 50 10 JFGE CC(C)(C)OC(=O)N1CCCC[C@@H]1CCNS(=O)(=O)N1CCC(Br)CC1 2106303155 RPLXPBMJNHCSOL-OAHLLOKOSA-N 454.431 2.860 50 10 JFGE Oc1ncnc(N2CC[C@](CBr)(C(F)(F)F)C2)c1I 2111392405 LFFJAGHAFNSHTM-SECBINFHSA-N 452.012 2.941 50 10 JFGE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(CBr)cc1 2162593069 APBUSULNMXETMS-CVEARBPZSA-N 463.394 2.884 50 10 JFGE CN1CCN(C(=O)c2ccc(F)cc2I)[C@H](CCBr)C1 2202835054 PWNBHHXYVPZVOB-LLVKDONJSA-N 455.109 2.972 50 10 JFGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2CCO[C@@]2(CBr)C1 2239902948 JREOXCIJARYOMR-YGRLFVJLSA-N 452.086 2.623 50 10 JFGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(F)c(F)c1B(O)O 2248396612 BPBPKEZDKNBNSJ-CYBMUJFWSA-N 466.249 2.510 50 10 JFGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 2293972433 SKDYILRFGWVEGG-UHFFFAOYSA-N 498.499 2.904 50 10 JFGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(N)=O)c1C 2331124119 UXTOMQBTOPROKX-UHFFFAOYSA-N 457.508 2.903 50 10 JFGE