smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C[C@@](C)(O)CC[C@@H](Br)[C@]1(C)CC[C@H](Br)C(C)(C)O1 86050444 HETKQJWBRYLJQV-MXYBEHONSA-N 398.179 4.578 50 1 GJGF Cc1ccc2[nH]c(C(=O)N/N=C/c3ccccc3C(=O)O)c(-c3ccccc3)c2c1 3644528 ZUBGALRJJRWZIM-AFUMVMLFSA-N 397.434 4.605 50 3 GJGF O=C(N/N=C/c1ccccc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 98084211 BQJZEXIJNJEVFQ-DHRITJCHSA-N 384.361 4.608 50 1 GJGF C[C@H](Cl)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541668 CTSLFYLGRFPNIC-OSGPJOMKSA-N 380.827 4.877 50 1 GJGF COc1cc2c(cc1OC)[C@@H](c1ccc(CBr)cc1)N(C)[C@@H](C)C2 962573499 SEHLKRSCHKNMHI-RNODOKPDSA-N 390.321 4.565 50 1 GJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1/C=C/C(=O)OCc1ccccc1 195275234 RWJDOAFAENHZHO-WKWPXIAWSA-N 376.569 4.855 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccnc(Br)c2[nH]1 586974412 WGFPMZOLYOJGFY-VIFPVBQESA-N 395.098 4.767 50 1 GJGF COc1ccc(C=CC(=O)C2=C(C=O)[C@H](C=O)[C@@]3(C)CCCC(C)(C)[C@@H]3C2)cc1 2356400528 BJIKCZAVEKVMKG-UMXIMWEHSA-N 394.511 4.824 50 1 GJGF ClCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 14976383 PEZARNZQVWOQOM-UHFFFAOYSA-N 390.874 4.724 50 1 GJGF CCOC(=O)c1cc(CN(CC(C)C)C(=O)/C=C/[C@@H](C)Cl)ccc1Cl 103286579 COYJUENERWFRJL-VIIAAUOXSA-N 386.319 4.685 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc3cc(O)[nH]c3cc1Cl)O2 587371047 CQBKZLNBOWAHBQ-LJQANCHMSA-N 391.254 4.517 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)CC2=O 587461614 RQVXBUPRJCWSJX-OAQYLSRUSA-N 389.879 4.592 50 1 GJGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@]12NCCc1c(C(=O)O)cccc12 963126685 WWHUTIXBWDWIJH-GHTZIAJQSA-N 375.585 4.690 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1C)CC2=O 587456311 NAHIMEIDKKASRW-HXUWFJFHSA-N 389.289 4.909 50 1 GJGF Cc1c(/N=N\C(C#N)=C(/O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 102654796 NPVOCODHKVIPND-XYJQQBIASA-N 393.834 4.672 50 1 GJGF CN(CCCl)c1ccc([C@@H]2c3cccc(Br)c3CCN2C)cc1 963272301 ZJOOYXCPYMPZCA-LJQANCHMSA-N 393.756 4.701 50 1 GJGF C/C(=N\NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] 103283258 MMTSZOJKZPHVMR-HZHRSRAPSA-N 390.399 4.933 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 195367431 IPEWKPDVRIFZHI-XALJQRGNSA-N 388.891 4.699 50 1 GJGF CC[C@@]1(CCCBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674158 TYQNEVDHTIDLMK-BONVTDFDSA-N 393.138 4.903 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(COc2ccccc2)N1 587689837 WURGXHVWHFJABQ-XIKOKIGWSA-N 398.703 4.636 50 1 GJGF COC(=O)C[C@@H](C)CCC=C(C)CCC=C(C=O)CCC=C(C)C(=O)OC 2356497034 WZLAUFBDRGDKJA-SFHVURJKSA-N 378.509 4.717 50 1 GJGF N#C/C(=C1/SCC(=O)N1c1ccccc1)n1c(-c2ccco2)nc2ccccc21 1857750448 HNOCGBKIZPKDDF-PYCFMQQDSA-N 398.447 4.726 50 1 GJGF O=C(N/N=C/c1ccc(F)cc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1 1857772545 VNWMSYQOHDLIOO-DHRITJCHSA-N 389.390 4.602 50 1 GJGF CC[C@@H](NC(=O)CCl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905949 NVXOQIFFYRTJRQ-GOSISDBHSA-N 376.283 4.555 50 1 GJGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(C)=O)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@]21C 2356716982 CVRAYWZAMFZKCQ-FCBRJNFKSA-N 392.967 4.832 50 1 GJGF CCCCCCc1cnc([C@@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)o1 223948217 ISZSURBMZODVKM-HSZRJFAPSA-N 377.488 4.818 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCBr)N1 587674673 YXTQSZMNPXRTGR-LKFCYVNXSA-N 379.111 4.513 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(N)c(OC(F)(F)F)cc1SC#N 587914720 MABFOPXNKNJKNE-UHFFFAOYSA-N 398.793 4.802 50 1 GJGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C/C(=C/Br)CC2 5455326 BERVNSMGLDGYPR-IGRCQTSTSA-N 376.132 4.712 50 1 GJGF biogenic,in-vitro C=C(C)[C@H](CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@@H](C)CC)OO 84618945 BMEORAQEILRDFC-VBQOLGOPSA-N 378.465 4.866 50 1 GJGF Cc1sc(NC(=O)CCCSSCCN(C)C)nc1-c1ccccc1 618012368 CWXKYJXLECVFLS-UHFFFAOYSA-N 395.619 4.780 50 1 GJGF CCc1ccc(C(=O)NNc2c(Br)cccc2Br)cc1 653747680 JTCDTQHKFNAJOQ-UHFFFAOYSA-N 398.098 4.531 50 1 GJGF COc1ccc2c(c1)[C@@](CBr)(c1ccccc1C)N(C(C)C)CC2 962090902 JJQBHVVMOZZZIQ-OAQYLSRUSA-N 388.349 4.909 50 1 GJGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@@H](O)C(C)=C[C@@H]3O2)O1)CC=CC(C)C 2356478292 YRIGGXDSFBAFBS-KJWQXZETSA-N 398.543 4.818 50 1 GJGF CCOC(=O)c1cc(CN(CC(C)C)C(=O)/C=C/[C@H](C)Cl)ccc1Cl 103286580 COYJUENERWFRJL-MRZGDXHCSA-N 386.319 4.685 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587846470 HSEYTTKYPIVMIL-JDNHERCYSA-N 388.733 4.975 50 1 GJGF CC(C)[C@@H](Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671405 ROARITNRFXEHSB-RGZBUGHASA-N 379.111 4.583 50 1 GJGF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587686809 XNTICPFVDRHRDP-XTZNXHDOSA-N 398.703 4.959 50 1 GJGF C=C(C(=O)OCCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 73311292 ULFCQMVLJRTKBT-XKQJLSEDSA-N 397.353 4.993 50 1 GJGF Nc1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587267898 IADLUMNIEBZLMU-UHFFFAOYSA-N 381.286 4.773 50 1 GJGF COc1cc2c3c(c1)O[C@@](c1c(C)[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O 587417865 QDNRPEXQENPFPW-IEBOFQNGSA-N 381.859 4.755 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2)N1 587731633 HUMQRVGHVUUWOU-BMLIUANNSA-N 386.667 4.744 50 1 GJGF CC(C(=O)CBr)=C1C[C@H]2C(C)(C)[C@H](Br)CC[C@]2(C)O1 2356457381 NSYOBSREGDLDDX-GUTXKFCHSA-N 394.147 4.603 50 1 GJGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCl)CC[C@@]43C)[C@@H]1CC/C2=N\O 118921612 UGAXTQYMYZQQOY-ULOPKRPASA-N 379.928 4.930 50 1 GJGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)=CC=CC(C)(C)O)C[C@]12O 2356544913 INRSPVMHHRRRRE-ZULIPRJHSA-N 383.370 4.911 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@H](C)Br)cc1 587898956 VEIWFCPDRVEUTP-LBPRGKRZSA-N 377.665 4.715 50 1 GJGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(C)=O)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@]12C 2356716984 CVRAYWZAMFZKCQ-YLANMQTLSA-N 392.967 4.832 50 1 GJGF COc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 299862548 NJQQYNUQNUWIIV-ZVHZXABRSA-N 382.504 4.760 50 1 GJGF CC[N+](C)(CC)CCOc1ccccc1/C=C(\C#N)c1noc2ccccc12 42963703 ZYPCAIVDWHTBAT-KNTRCKAVSA-N 376.480 4.757 50 1 GJGF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H](Cl)CCl)nc2c1 587009297 ZPATYKTWQXQQDS-LURJTMIESA-N 377.975 4.743 50 1 GJGF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@]4(C)[C@@H](CC=C(C=O)[C@@H]4C=O)[C@@]3(C)CC[C@H]12 2356619322 BERUNAPIPIALIL-CVLRJUDKSA-N 386.576 4.968 50 1 GJGF C=C(C)[C@H](CCC(C)=CCOc1cc(O)cc(O)c1C(=O)[C@@H](C)CC)OO 2356779599 BMEORAQEILRDFC-YJBOKZPZSA-N 378.465 4.866 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(F)c2)N1 587734263 UTHCRIMWAMEBDD-QGHHPUGFSA-N 386.667 4.744 50 1 GJGF Cc1c(/N=N/C(C#N)=C(\O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 101745863 NPVOCODHKVIPND-CTDGYQLOSA-N 393.834 4.672 50 1 GJGF C=C1CCC(C)=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356307247 QFDXYVQLCRYWCQ-LASHMREHSA-N 383.370 4.911 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cncc(Br)c2[nH]1 586974223 SWNOGHVTCUTVHN-VIFPVBQESA-N 395.098 4.767 50 1 GJGF CCCc1c(O)ccc2c1O[C@](C(=O)Cl)(c1c(C)[nH]c3ccccc13)CC2=O 587457722 BQFJPHRJYBDVJM-QFIPXVFZSA-N 397.858 4.761 50 1 GJGF C=CCC[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673145 KXGGBAGVBQBRIP-BMIGLBTASA-N 391.122 4.679 50 1 GJGF C[C@H](Br)[C@]1(c2cccs2)c2ccc(F)cc2C[C@@H]2CCCN21 963097876 ICQSROQTPGLQBI-XLWVJDPXSA-N 380.326 4.935 50 1 GJGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@@H](C[C@H](C=C=CBr)OC(C)=O)O1 2356579654 BUAQGGUCIOVTOG-YZJYESAXSA-N 389.717 4.659 50 1 GJGF Fc1cccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 29151338 IDZXNZQRVWDXGU-GOSISDBHSA-N 381.842 4.558 50 1 GJGF BrCC[C@@H]1CCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961327817 VIZOBXZWVKZARJ-SUMWQHHRSA-N 399.170 4.908 50 1 GJGF CCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 40976173 LVNGHMYJLPCBDR-LVZFUZTISA-N 394.563 4.505 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)Cl)cc2)N1 587681305 KIYZOAOBAMODQN-ABKXIKBNSA-N 382.660 4.591 50 1 GJGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587689996 YKLWLBOTQAVTDR-QGHHPUGFSA-N 385.708 4.550 50 1 GJGF CC1=CC[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(O)[C@H](Br)C2 85951463 LKZVLPVFTMUQRT-CTHBEMJXSA-N 380.164 4.811 50 1 GJGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1Cl 103196270 GJOJEGXIFADNMS-HZPDHXFCSA-N 375.280 4.872 50 1 GJGF CCOC(=O)[C@@H](Cl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1F 587916272 IEOKXJLONSJBCN-SFHVURJKSA-N 381.230 4.731 50 1 GJGF CC1=C(C#N)[C@@H](c2ccc3n[nH]c(C)c3c2)C(C#N)=C(c2ccc(Cl)cc2)N1 1857582567 BGQYHBPBRKOJMZ-OAQYLSRUSA-N 385.858 4.944 50 1 GJGF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(C=O)=CC[C@@H]12)[C@H](O)C[C@@]3(C)O 1857603990 FOEYJNQZQGLUKQ-CUSXKCIXSA-N 386.576 4.845 50 1 GJGF O=c1c2ccccc2oc2cc(OCCCCCCBr)cc(O)c12 299827031 OFJFIWNUAQJOGA-UHFFFAOYSA-N 391.261 4.986 50 1 GJGF O=C1CCc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 587498364 NJWONYNJIGWFOJ-QHCPKHFHSA-N 395.886 4.550 50 1 GJGF O=C(NN=C(c1ccccc1)c1ccc(Br)cc1)c1ccccc1 2356679157 IBNXFNNTHDMFFB-UHFFFAOYSA-N 379.257 4.632 50 1 GJGF CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(CC)CC)ccc32)cc1 4119037 NQTRRSPNGJUUGB-HSZRJFAPSA-N 391.515 4.930 50 1 GJGF O=C(N/N=C/c1ccc[nH]1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28643035 IMFXNFWSQRLLKL-JFLMPSFJSA-N 398.510 4.795 50 1 GJGF C[C@@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 73197327 QVLYFXWCFAZOOV-KBVBDRTLSA-N 392.680 4.958 50 1 GJGF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H](C2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100307258 QAGIQKFINYERQA-DECAUCRVSA-N 383.492 4.657 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1)CC2=O 587466716 MJCLLBPYJJVVJZ-LJQANCHMSA-N 393.252 4.739 50 1 GJGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1 2356337119 VWADHHNIZLGVSH-VUXRACJTSA-N 398.543 4.962 50 1 GJGF CC1(C)C[C@H](Br)C[C@@](C)(O)[C@@]12C=CC(=CBr)CC2 2356557097 AAUMBOCDCYMWBT-NWANDNLSSA-N 378.148 4.936 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(C)=O)cs1)CC2=O 587493356 GFDMXRBBQKCDLT-LJQANCHMSA-N 378.877 4.708 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC2)N1 587674406 WLNGCMCXULAPTH-PSLIRLAXSA-N 391.122 4.513 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](CBr)C3 586983728 BTVKQDYMLMIUCE-LLVKDONJSA-N 394.268 4.652 50 1 GJGF CC(=O)Oc1ccc(C[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496813 FUDCLUWTIADUBX-HSZRJFAPSA-N 398.886 4.676 50 1 GJGF C[C@H](Cl)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689853 XEHUHJQGWWTRBN-SOZUMNATSA-N 382.704 4.993 50 1 GJGF CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)O)OO 169622230 ZKUDWLWHTKEJGJ-OSKNXYPTSA-N 376.493 4.988 50 1 GJGF C[C@H](Cl)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543870 MAWBYAXJMVNOSL-NQKDMWHGSA-N 394.854 4.963 50 1 GJGF CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(CCl)c2)C(C)(C)C)cc1 103184655 XDDVHDPGJXPYPT-UHFFFAOYSA-N 386.923 4.882 50 1 GJGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1Cl 103196266 GJOJEGXIFADNMS-JKSUJKDBSA-N 375.280 4.872 50 1 GJGF C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccccc1Br 103292035 DMWNSKXFACQCKA-HYARGMPZSA-N 397.272 4.522 50 1 GJGF O=C1C[C@@](CBr)(Cc2ccccc2)Oc2c1ccc1c2CCCC1 587500737 VDTUFYJUASOPPP-OAQYLSRUSA-N 385.301 4.907 50 1 GJGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1)CC=CC(C)C 2356478295 YRIGGXDSFBAFBS-VUXRACJTSA-N 398.543 4.818 50 1 GJGF N#CC1=C(N)OC2=C(CSc3ccccc32)[C@@H]1c1ccc(Br)cc1 6041572 BIZRZGQDRYKZON-QGZVFWFLSA-N 397.297 4.774 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3cccc(I)c3[nH]2)cc1 587188467 TZROCGYTFLHZNH-UKTHLTGXSA-N 385.208 4.540 50 1 GJGF O=C([C@@H]1Cc2ccccc2[C@H](CCCCCCBr)N1)C(F)(F)F 962730096 LQIJQQVXEQAPSD-GJZGRUSLSA-N 392.259 4.719 50 1 GJGF O=Cc1ccccc1CCC[C@@H]1[C@H](Cl)CCN1c1ccc2c(c1)CC[C@H]2O 2356704781 IPAQQGNCKOGOQD-DNVJHFABSA-N 383.919 4.688 50 1 GJGF C=C1CC[C@]2(C)[C@@H](Br)C[C@@H](O)[C@@](C)(O)[C@H]2/C=C/CC[C@H]1C(C)C 45357605 OSFHGDFNIHPDBE-WPLOQTPPSA-N 385.386 4.847 50 1 GJGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@@H](C=C=CBr)OC(C)=O)O1 2356579653 BUAQGGUCIOVTOG-XBMSZGKOSA-N 389.717 4.659 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(C)(C)c1ccccc1)O2 587372103 HMGLAQXTXYHAMV-FQEVSTJZSA-N 388.305 4.654 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@@H]2Cl 587547016 KQZCNZMAUQBAJV-SXWKCWPCSA-N 392.838 4.803 50 1 GJGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587690176 ZUEOYHNIMPFTFJ-DYZYQPBXSA-N 385.708 4.550 50 1 GJGF CC(C)[C@H](Cl)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955586 MSGNXWWGOOFPEB-IRXDYDNUSA-N 375.862 4.835 50 1 GJGF Fc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccccc2)cc1 29151334 OTSDQTWQPMUEAB-SFHVURJKSA-N 381.842 4.558 50 1 GJGF CC(C)[C@@H](Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671403 ROARITNRFXEHSB-IHPUGEDLSA-N 379.111 4.583 50 1 GJGF Cc1ccc(C2OOC(c3ccc(C(=O)NC4CCCCC4)cc3)OO2)cc1 72174771 RJJIKEVEGZKCOA-UHFFFAOYSA-N 383.444 4.665 50 1 GJGF O=C1C[C@](CBr)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587499834 PMNSNYFEBDZKAA-FQEVSTJZSA-N 387.273 4.527 50 1 GJGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@]12NCCc1c(C(=O)O)cccc12 963126688 WWHUTIXBWDWIJH-RXVVDRJESA-N 375.585 4.690 50 1 GJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CCCCC[C@H]2Cl)N1 963186319 UTIPQETZQJEGPQ-OZVIIMIRSA-N 396.236 4.725 50 1 GJGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@H](O)C(C)=C[C@H]3O2)O1 2356337117 VWADHHNIZLGVSH-MQZWXTIWSA-N 398.543 4.962 50 1 GJGF ClCCCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCl 587622012 UGZHNTAEBXKTRD-UHFFFAOYSA-N 375.097 4.759 50 1 GJGF Cc1cc2c(cc1F)[C@@](CCl)([C@H](C#N)c1nc3ccccc3s1)NCC2 962088113 COWCLJBPHQYRLW-QRWLVFNGSA-N 385.895 4.631 50 1 GJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 43834407 CAOLQOIBDULJTG-CBEKKBIVSA-N 386.488 4.542 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2Br)N1 587685985 VBEBFXLOMJHPKQ-ZWZTZDBGSA-N 391.122 4.655 50 1 GJGF COc1ccc([C@]2(CCl)NCCc3cc(C)c(F)cc32)cc1Br 962092874 NSDVAILDZCYCMB-SFHVURJKSA-N 398.703 4.533 50 1 GJGF O=C(Oc1cccc(C(F)(F)F)c1)c1cc2cc(CCl)ccc2oc1=O 13676430 GFWQRBXRVIMFMT-UHFFFAOYSA-N 382.721 4.770 50 1 GJGF CCCc1c(O)ccc2c1O[C@H](c1cccc(CBr)c1)CC2=O 587456295 MNNOVLBKKTYKQV-SFHVURJKSA-N 375.262 4.946 50 1 GJGF Cc1ccc2c3c(cc([C@H](NC(=O)CCl)C(C)C)nc13)-c1ccccc1C2=O 586993809 QAGSPJHZCGZNNO-OAQYLSRUSA-N 392.886 4.807 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cncc(Br)c2[nH]1 586974222 SWNOGHVTCUTVHN-SECBINFHSA-N 395.098 4.767 50 1 GJGF CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1OCC 1857645665 HCBMGOQNESRWDZ-YSFZPGPYSA-N 380.488 4.771 50 1 GJGF C=C[C@@](Br)(CBr)CC[C@H](Br)C(C)C 1856060 LRJPUDKMTFONPR-UWVGGRQHSA-N 376.958 4.901 50 1 GJGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 13586184 XXIREWVZTCHLRV-XMMPIXPASA-N 397.478 4.550 50 1 GJGF Cc1cccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)c1 38145351 SQDXEYXPUGIWGZ-PPCHASGVSA-N 387.508 4.602 50 1 GJGF C=CCc1cc(/C=C(\C#N)C(=O)OCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1 43076714 IQRVNKNOZSMQOE-XSFVSMFZSA-N 389.451 4.692 50 1 GJGF C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1cccs1 103189728 YNDKNFTZFADPSP-NKSJLBNWSA-N 377.680 4.626 50 1 GJGF COc1cccc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CBr)c1 253650676 IDANHJVNMORBOH-AQNXPRMDSA-N 389.289 4.672 50 1 GJGF Fc1cccc2c1[C@@H](c1ccc(OCCBr)cc1)N1CCC[C@@H]1C2 963094308 CMYTTWANHGBPFQ-OXQOHEQNSA-N 390.296 4.709 50 1 GJGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@H]2Br 587496044 HJTOPACFQQIRSL-TZIWHRDSSA-N 383.285 4.746 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](OC(C)(C)C)[C@H]2Cl)N1 587706475 QBOFSYLDKHTMHO-JOGDPCBZSA-N 390.724 4.513 50 1 GJGF Cn1cccc1CN1CCc2sccc2[C@]1(CCl)c1nc2ccccc2[nH]1 962400334 ULVVCCNWZINDQP-OAQYLSRUSA-N 396.947 4.504 50 1 GJGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ncccc13)([C@H](C)Cl)CC2=O 587459325 OEYGXZCGAQLLAW-QKVFXAPYSA-N 384.863 4.709 50 1 GJGF CCOC(=O)[C@@H](Cl)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(C)C 587620175 AFMLSCUXIOUIKQ-ZDUSSCGKSA-N 398.688 4.773 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC[C@@H]2Cl 587703897 HUCPRGXQJGARGF-XNPNBVRTSA-N 394.715 4.920 50 1 GJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21c2ccccc2CC[C@@H]1Cl 962697910 GWCBSJOBHGVGEN-XGRCMKMKSA-N 387.951 4.987 50 1 GJGF C[C@@H](SC#N)[C@@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817724 OMVPLFISNVPFLL-IVZQSRNASA-N 377.513 4.711 50 1 GJGF COc1ccc(Cc2ccc(Cl)c(Cl)c2)cc1/C=C(\C#N)S(C)(=O)=O 1857540533 RGNSGISNYRWPSZ-XNTDXEJSSA-N 396.295 4.502 50 1 GJGF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(N=C=S)cc1 64428919 XVKLBDMBGQDLKH-NHCUHLMSSA-N 380.513 4.732 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCl)c2)N1 587685265 PAGSXBUUPCNXIR-YPMLDQLKSA-N 398.703 4.830 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](OC(C)(C)C)[C@H]2Cl)N1 587706915 SOHHSSHGHCRNRV-WSHQXAHTSA-N 390.724 4.513 50 1 GJGF C=C1CC[C@]2(C)[C@H](Br)C[C@H](O)[C@](C)(O)[C@@H]2C=CCC[C@@H]1C(C)C 2356590479 OSFHGDFNIHPDBE-QONVVCGCSA-N 385.386 4.847 50 1 GJGF C[C@@H](OC(=O)CCCC[C@@H](Cl)CCCCCC(Cl)Cl)C(=O)O 1911577525 ISBIDCLRYLGPPC-NEPJUHHUSA-N 375.720 4.925 50 1 GJGF CC(=N\NC(=O)c1oc2ccccc2c1C)/C(Cl)=N/Nc1ccc(C)cc1 49768048 AHULKOSUWKLHJH-IQSYEYKYSA-N 382.851 4.820 50 1 GJGF Cc1cccc([C@@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)c1 38145352 SQDXEYXPUGIWGZ-UPPUFSLMSA-N 387.508 4.602 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)C)N1 587672607 GPHNGKYHEZIHQZ-VFZGTOFNSA-N 393.138 4.759 50 1 GJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685837 RUXJACFSCGVITF-ADLMAVQZSA-N 398.703 4.613 50 1 GJGF Cc1cc2c(C(=O)NN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)cccc2o1 103215834 NNNIYBJGIVFYTM-UHFFFAOYSA-N 384.863 4.980 50 1 GJGF CCCCCCCn1ccc([C@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)n1 223908994 MUEHTGWYFWABDR-DEOSSOPVSA-N 390.531 4.874 50 1 GJGF C[C@@H]1CN(CCCn2c3ccccc3c3cc(N=C=S)ccc32)C[C@@H](C)N1C 27443619 JEWVQXTWRAAFOV-QZTJIDSGSA-N 392.572 4.943 50 1 GJGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1 29136003 GGWGFVATPFHJOU-QGZVFWFLSA-N 399.832 4.697 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cccc(O[C@H](C)CBr)c1 587898242 GZWWNYDRRGMYHL-CYBMUJFWSA-N 379.681 4.911 50 1 GJGF COc1ccc2c(c1)[C@@](CCl)(c1ccc3[nH]c(O)cc3c1)N(C(C)C)CC2 962088438 HLWPNPALJKEGOT-JOCHJYFZSA-N 384.907 4.631 50 1 GJGF CC[C@H](C)c1ccc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962930784 MLAHGIONSGORRL-QMHKHESXSA-N 384.951 4.530 50 1 GJGF COc1cc2c(Nc3ccc(F)c(Cl)c3)nnnc2cc1OCCCCl 103271994 QUVZSPHVHKWHKB-UHFFFAOYSA-N 397.237 4.577 50 1 GJGF Fc1ccc(C2=C[C@H]3OC4(CCOCC4)OO[C@@]3(c3ccc(F)cc3)C2)cc1 138725917 VXAQGVXQRYUHNN-IFMALSPDSA-N 386.394 4.501 50 1 GJGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(O)cc1 169352134 VILKETMYBMOTQK-ZINOCKGTSA-N 392.282 4.504 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(C=O)=CC[C@H]12)[C@@H](O)C[C@]3(C)O 2356534575 FOEYJNQZQGLUKQ-XCJBNYFDSA-N 386.576 4.845 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 586974442 WPPCVVCGJBBGHT-SECBINFHSA-N 375.657 4.530 50 1 GJGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1CCBr)CC2=O 587455423 CBOLZRPSTWZFPI-IBGZPJMESA-N 389.289 4.989 50 1 GJGF Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(O)nc2c3ccc3ccccc32)cc1 1857552035 RHFNMDQNFQPATQ-LJQANCHMSA-N 379.419 4.620 50 1 GJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@H]2Br 587496034 HJTOPACFQQIRSL-CTNGQTDRSA-N 383.285 4.746 50 1 GJGF CC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538309 OYSGHPPJLVGCGR-HNAYVOBHSA-N 391.261 4.534 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 169371022 IPEWKPDVRIFZHI-BTAJCFKJSA-N 388.891 4.699 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845234 CZUOFRCAQSRVQS-XXFAHNHDSA-N 388.733 4.975 50 1 GJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N=C=S 587895225 BRTORZKAMKUANO-UHFFFAOYSA-N 389.307 4.747 50 1 GJGF O=C(c1coc2ccc(Cl)cc12)[C@@H](Br)CCBr 587276764 VENRAHOPNXMNMY-JTQLQIEISA-N 380.463 4.817 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccc(Br)cc1)O2 587374519 YPWPTHLWNAGHTD-GOSISDBHSA-N 394.696 4.525 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(F)c2)N1 587727127 AOUKZXOWJPJMEK-BMLIUANNSA-N 386.667 4.744 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCl)cc2)N1 587686999 YKECLGNTVCSIDZ-VOJFVSQTSA-N 398.703 4.829 50 1 GJGF CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCCC3 45288562 OBHVXNLTAFASEQ-UHFFFAOYSA-N 388.558 4.574 50 1 GJGF COc1cccc(CO[C@H]2C=C[C@H](c3ccccc3)O[C@@H]2CBr)c1 72102913 IDANHJVNMORBOH-HSALFYBXSA-N 389.289 4.672 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc3ccccc13)O2 587375510 UGEOZNMCJYUBRW-NRFANRHFSA-N 396.284 4.986 50 1 GJGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=C/C(=C/Br)CC2 13449858 BERVNSMGLDGYPR-YKCNGXFOSA-N 376.132 4.712 50 1 GJGF C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499212 SBIQAELUGBJVCS-IFMALSPDSA-N 383.875 4.535 50 1 GJGF C=CCC[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674503 XFVZXKFLCMORIB-MEBBXXQBSA-N 391.122 4.679 50 1 GJGF COc1ccc(-c2cc3cc(CBr)cc(C)c3oc2=O)cc1OC 299828334 QUGCLKSXXYKJJX-UHFFFAOYSA-N 389.245 4.681 50 1 GJGF Cc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 653808311 DRFBBOCVKCCSCK-UHFFFAOYSA-N 396.468 4.520 50 1 GJGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@H](O)C(C)=C[C@H]3O2)O1)CC=CC(C)C 2356478293 YRIGGXDSFBAFBS-MQZWXTIWSA-N 398.543 4.818 50 1 GJGF CCSc1nc(N(CC)CC)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 40847188 FVETURAWYVQOMQ-INIZCTEOSA-N 389.956 4.765 50 1 GJGF Cc1cccc(C)c1NC(=O)N/N=C/c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F 169341269 NUPXDBQRAHNHMJ-GEVRCRHISA-N 380.305 4.957 50 1 GJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685840 RUXJACFSCGVITF-VOJFVSQTSA-N 398.703 4.613 50 1 GJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1857617062 STGUYDBOODQBDF-SFHVURJKSA-N 377.787 4.620 50 1 GJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499583 WBBHVCSRVOKMMW-QFIPXVFZSA-N 385.891 4.812 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC[C@H]2Cl 587707478 WCAUMZGZROZQJU-CXWAGAITSA-N 394.715 4.920 50 1 GJGF O=C([C@H]1Cc2ccccc2[C@@H](CCCCCCBr)N1)C(F)(F)F 962730097 LQIJQQVXEQAPSD-HUUCEWRRSA-N 392.259 4.719 50 1 GJGF C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103198733 BOTIVXGJTHIKFS-LZCVXGSNSA-N 391.402 4.655 50 1 GJGF O=C1Oc2ccc([N+](=O)[O-])cc2N/C1=C\C(=O)c1ccc(C2CCCCC2)cc1 1857641680 DHYBTGHTCVAFAQ-UYRXBGFRSA-N 392.411 4.740 50 1 GJGF CC(C)[C@H](Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671402 ROARITNRFXEHSB-CWONEXCFSA-N 379.111 4.583 50 1 GJGF COc1cccc(CO[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CBr)c1 36381854 IDANHJVNMORBOH-SLFFLAALSA-N 389.289 4.672 50 1 GJGF FC(F)(F)c1cc(Br)cc2nc(/C=C\CBr)[nH]c12 586973359 ILXIPDYRDDEPKS-UPHRSURJSA-N 383.993 4.752 50 1 GJGF CC(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3ccc(C)nc3c2O1 103198883 KIRGDERONMCASK-LJQANCHMSA-N 389.842 4.592 50 1 GJGF CC1(C)C[C@@H](Br)C[C@](C)(O)[C@@]12C=C/C(=C\Br)CC2 140176182 AAUMBOCDCYMWBT-WTEYCDQGSA-N 378.148 4.936 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3ccco3)c1C)O2 587373504 RFIWTMMNBHEYLZ-QFIPXVFZSA-N 398.890 4.736 50 1 GJGF C[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275387 CZPWVXJZYSMELQ-SSDOTTSWSA-N 383.302 4.934 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCl)c2)N1 587685263 PAGSXBUUPCNXIR-MLCYQJTMSA-N 398.703 4.830 50 1 GJGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccs1 646917 LNIGVIGJBDEDDC-ZDUSSCGKSA-N 389.267 4.663 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3cc(OC)ccc13)CC2=O 587459174 GQGYRWOMUAPZIK-JOCHJYFZSA-N 399.874 4.934 50 1 GJGF C[C@@H](Cl)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497546 JAOLXQXOKDUKNF-MCMMXHMISA-N 380.875 4.930 50 1 GJGF COc1cccc2c3c(cnc12)CCN[C@]3(CCCCl)c1cccc(F)c1 963049919 WQBRJTGPDLPXCL-JOCHJYFZSA-N 384.882 4.791 50 1 GJGF CC[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669303 CPGUGCGGJUUULG-UINNMSKDSA-N 379.111 4.511 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCl)cc2)N1 587686572 VWJBDGIHGZMJDG-ZMZPIMSZSA-N 398.703 4.829 50 1 GJGF Fc1cccc2c1[C@H](c1ccc(OCCBr)cc1)N1CCC[C@H]1C2 963094305 CMYTTWANHGBPFQ-JXFKEZNVSA-N 390.296 4.709 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ncc(Cl)cc1F)CC2=O 587467151 ONVWOVQOUVDOMR-GOSISDBHSA-N 384.234 4.632 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587846468 HSEYTTKYPIVMIL-FVMDXXJSSA-N 388.733 4.975 50 1 GJGF COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1COc1c(C)cccc1C 669021 XKCSUIJPIDKDPV-ZMOGYAJESA-N 392.455 4.556 50 3 GJGF CCCc1c(O)ccc2c1O[C@H](c1c(CCl)c(C#N)c3ccccn13)CC2=O 587459910 JAUMORXPBLYRBG-FQEVSTJZSA-N 394.858 4.914 50 1 GJGF CCCCCCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1772645063 XXMWXLBLSOJKPO-ZBFLUBEFSA-N 396.524 4.708 50 1 GJGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 1857607537 GMECRCCPVOQLSH-AFUMVMLFSA-N 398.466 4.619 50 1 GJGF O=C1C[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)Oc2c1ccc1c2CCCC1 587497946 LMXGEDNDBUYEMR-SFHVURJKSA-N 387.819 4.625 50 1 GJGF CC(=CBr)[C@H](Cl)CC(Cl)=C(C)[C@H](O)CBr 2356802655 SNFHWEQVTWTDNJ-PSASIEDQSA-N 380.935 4.551 50 1 GJGF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CCl)CC3=O 45317916 GICGMJBYHLLYIK-LBPRGKRZSA-N 388.847 4.502 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(F)cc2)N1 587731634 HUMQRVGHVUUWOU-BTDLBPIBSA-N 386.667 4.744 50 1 GJGF CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)[C@@H]1c1ccccc1Cl 62224671 FONVSYLXWUQRJN-IBGZPJMESA-N 378.859 4.799 50 1 GJGF O=C1C[C@@](CCl)(c2nnc(-c3ccccc3)o2)Oc2c1ccc1c2CCCC1 587499987 XDFZNXOQIRHOIR-JOCHJYFZSA-N 394.858 4.715 50 1 GJGF C=C1CC[C@]2(C)[C@@H](Br)C[C@@H](O)[C@@](C)(O)[C@H]2/C=C\CC[C@H]1C(C)C 169315910 OSFHGDFNIHPDBE-PFJJPTRKSA-N 385.386 4.847 50 1 GJGF C[C@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 587008565 MLAGVGYJXQIHAY-BYPYZUCNSA-N 382.881 4.544 50 1 GJGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587690174 ZUEOYHNIMPFTFJ-BMLIUANNSA-N 385.708 4.550 50 1 GJGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542240 GIBIJTNBKDOBSV-UGKGYDQZSA-N 380.827 4.797 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(Br)CC2)N1 587686486 WGSXYIUREXCZPC-IWPPJYEWSA-N 391.122 4.655 50 1 GJGF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)NNC(=O)O[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)C2 5757352 SOPRACJRDQEDIX-BRFQXZCDSA-N 392.540 4.783 50 1 GJGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 43511532 PPQHSJKXSUWSHC-ZQRQZVKFSA-N 392.879 4.850 50 1 GJGF Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(O)nc1c2ccc2ccccc21 1857612829 ZAELYOJFMLBKRZ-INIZCTEOSA-N 385.448 4.682 50 1 GJGF CC(=O)O[C@H]1/C=C(\C)CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]2C[C@@H]2[C@@](C)(O)C1 42887490 IHAVJIZXNLZVTI-YXHBCUBKSA-N 380.525 4.656 50 1 GJGF C=C(c1ccccc1)[C@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 43393441 DRKCISYJSHKTSV-GTMAMOSYSA-N 381.472 4.806 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1 587570810 LYYMISAQTONROT-WIYYLYMNSA-N 384.790 4.627 50 1 GJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ncccc1F 963203041 JNTOQXNQBNOPDM-GMAHTHKFSA-N 391.877 4.826 50 1 GJGF Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(O)nc2c3ccc3ccccc32)cc1 1857552034 RHFNMDQNFQPATQ-IBGZPJMESA-N 379.419 4.620 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2cc(Br)c(C)c(C)c2[nH]1 586971830 YLKSZTONGQDVLI-LBPRGKRZSA-N 390.119 4.803 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(COc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587417067 JAIYXGUSQMRTDI-AVRDEDQJSA-N 386.875 4.623 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(COc2ccccc2)N1 587689835 WURGXHVWHFJABQ-KZULUSFZSA-N 398.703 4.636 50 1 GJGF C=CCC[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674501 XFVZXKFLCMORIB-BMIGLBTASA-N 391.122 4.679 50 1 GJGF CC(C)=C/C=C/[C@H](C)C1=CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 1857606958 IRAFPMNAPOVATO-KQMXSISOSA-N 382.544 4.973 50 1 GJGF C[C@H](OC(=O)CCCC[C@H](Cl)CCCCCC(Cl)Cl)C(=O)O 1911577526 ISBIDCLRYLGPPC-NWDGAFQWSA-N 375.720 4.925 50 1 GJGF CC[C@@H](c1ccc(O)cc1)[C@H](CI)c1ccc(O)cc1 5923226 BTKKPGVOGPPAAQ-DLBZAZTESA-N 382.241 4.810 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(Cc1ccccc1)CC2=O 587456526 QBICMRLZNJNCPZ-FQEVSTJZSA-N 389.289 4.686 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC2)N1 587671955 BZYUWPIUWFWTRE-PSLIRLAXSA-N 391.122 4.513 50 1 GJGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(C)=O)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@H]2O[C@@]12C 2356716981 CVRAYWZAMFZKCQ-CJGRTHRNSA-N 392.967 4.832 50 1 GJGF CC(C)(C)SC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3 38308250 QGQHJWACZLQAMG-UHFFFAOYSA-N 388.558 4.572 50 1 GJGF C[C@@H]1CC[C@@H]2CC(=O)O[C@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 195322079 CAOLQOIBDULJTG-RDYYDRBJSA-N 386.488 4.542 50 1 GJGF CC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538308 OYSGHPPJLVGCGR-DNVCBOLYSA-N 391.261 4.534 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2)N1 587688657 MXIKMKPSOXNVKI-KPZWWZAWSA-N 382.704 4.799 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](OC(C)(C)C)[C@@H]2Cl)N1 587706912 SOHHSSHGHCRNRV-ARTRFZJOSA-N 390.724 4.513 50 1 GJGF C#C/C=C\C[C@H]1C[C@H]([C@@H]2C[C@@H](Br)[C@H](CC)O2)C[C@@H]1Br 238763656 MXITVBDXYLJJHK-MGRAACKUSA-N 390.159 4.687 50 1 GJGF C[C@]1(c2ccc(O)c(CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542004 HFKFQLGTFUBCPV-DENIHFKCSA-N 396.826 4.714 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)Cl)N1 587689806 WMWNTWGQNASWPN-FMTVUPSXSA-N 382.704 4.993 50 1 GJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097787 NMMXKEYLCISQPW-YFYZNPQRSA-N 386.898 4.676 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586973210 GUTUQDWLFMAEQK-VIFPVBQESA-N 395.203 4.931 50 1 GJGF COc1ccc([C@@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533819 WGJMGEFUBHCXDC-QFIPXVFZSA-N 379.481 4.649 50 1 GJGF C=N[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 2356752451 QOEVUIRXHICMBB-RXEAUGIDSA-N 397.003 4.657 50 1 GJGF O=C1C[C@@](CCl)(c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587504676 MXKITEQFALDDES-LJQANCHMSA-N 380.246 4.852 50 1 GJGF COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1COc1ccc(Cl)cc1 669132 BNTNNOCIDBSERY-FSJBWODESA-N 398.846 4.593 50 3 GJGF COc1cccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)c1 299866833 PMZGUJBNJOQJRC-OEAKJJBVSA-N 387.464 4.736 50 1 GJGF CC(C(=O)CBr)=C1C[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O1 2356457384 NSYOBSREGDLDDX-YDHLFZDLSA-N 394.147 4.603 50 1 GJGF C=N[C@@H]1[C@@H]2[C@H](CC[C@]1(C)O)[C@](C)(N=C)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 2356752449 QOEVUIRXHICMBB-GZZORMBGSA-N 397.003 4.657 50 1 GJGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccc(F)c2)n1 13647756 VVGCDPREGFDTDN-CAPFRKAQSA-N 389.459 4.680 50 1 GJGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)[nH]1 587329173 XEQBSXSZKVEEAS-RBBKRZOGSA-N 399.849 4.969 50 1 GJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)C[C@H](C)O3)C(C)(C)C)c1 103203923 KXTYESJGIYSHKI-INIZCTEOSA-N 394.515 4.521 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc3ccccc3o1)O2 587375113 QZKUICWRVQTXSE-LJQANCHMSA-N 386.245 4.579 50 1 GJGF COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686985 YFVJCWRPUBNTHZ-ADLMAVQZSA-N 398.703 4.613 50 1 GJGF C/C=C/[C@H]1CC=CC[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)OC(C)=O)O1 71329089 BUAQGGUCIOVTOG-HFABDZKYSA-N 389.717 4.659 50 1 GJGF Fc1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1 368098455 ATLKDKPQLCABLP-KRWDZBQOSA-N 393.325 4.694 50 1 GJGF N#C/C(=C(/N)Sc1ccccc1)c1cccc([C@H](O)c2ccc(C#N)cc2)c1 38145367 ZFTOQQHBWXKGFP-HOGKFDNTSA-N 383.476 4.583 50 1 GJGF Cc1ccc(/C(=N\NC(=O)c2ccccc2Oc2ccccc2)c2ccccn2)o1 38394833 BIGIKTSVHSAJTN-RWEWTDSWSA-N 397.434 4.958 50 1 GJGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1 587648332 CSNYNWNRSOPOSJ-UHFFFAOYSA-N 398.709 4.740 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCC(C=O)=C2Cl)N1 587701344 AZVXCSOBAUYVND-KSYCPYKJSA-N 386.692 4.655 50 1 GJGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(CBr)c(F)c1 963110095 ZYXZQVFWCFSGSJ-QFBILLFUSA-N 378.260 4.970 50 1 GJGF FC(F)(F)Oc1cc2nc([C@H](Cl)CCl)[nH]c2cc1Br 587007776 HNDSWQCGJAPWLW-RXMQYKEDSA-N 377.975 4.743 50 1 GJGF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CCl)CC3=O 45317913 GICGMJBYHLLYIK-GFCCVEGCSA-N 388.847 4.502 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)cc(O)n3C)CC2=O 587458657 DSXDLBBRMIQHCO-JOCHJYFZSA-N 399.874 4.642 50 1 GJGF CC[C@@]1(CCCBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673000 JKQLPHOYJUCHJM-BONVTDFDSA-N 393.138 4.903 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCCl)(c1c[nH]c3ccc(C#N)cc13)O2 587377203 VGBODYDGVJLGRS-JOCHJYFZSA-N 393.874 4.810 50 1 GJGF CC(=O)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3ccc(C)nc3c2O1 103198887 KIRGDERONMCASK-IBGZPJMESA-N 389.842 4.592 50 1 GJGF CC(C)OSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103214492 HBGBGUFVJXMYMR-UHFFFAOYSA-N 386.517 4.973 50 1 GJGF C[C@H](Cl)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543873 MAWBYAXJMVNOSL-UYGSHGSRSA-N 394.854 4.963 50 1 GJGF O=C1c2ccccc2-c2cc([C@H](Cl)C(=O)C(F)(F)F)nc3cccc1c23 587103849 MAVQDRBUHNSHFL-INIZCTEOSA-N 375.733 4.858 50 1 GJGF O=C1[C@@H](Cl)[C@H](c2ccc(F)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772633392 WYTIDXDNSXBFFA-IRXDYDNUSA-N 376.218 4.545 50 1 GJGF CCSc1nc(N2CCCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 26502564 RRTHVEDISUQAOJ-MRXNPFEDSA-N 387.940 4.519 50 1 GJGF CCc1csc(C2=C(C)[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@@]34[C@H](O2)O5)n1 49793365 CAIMQYYCMSHFGD-JYUORACNSA-N 377.506 4.682 50 1 GJGF CCCN[C@@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169350585 ABKWATQDIFNAMK-CRTIWDKESA-N 394.482 4.718 50 1 GJGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587627691 IJQLHPGKLXWPDR-UHFFFAOYSA-N 381.632 4.961 50 1 GJGF O=C1c2ccc(O)cc2O[C@@](CCl)(CCCCl)[C@@H]1c1ccc(F)cc1 587329585 YNGADFNUECSXSB-IEBWSBKVSA-N 383.246 4.887 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(F)c(N=C=O)c(Br)c1 587914634 FQFRKHLKUHZJAQ-UHFFFAOYSA-N 380.600 4.617 50 1 GJGF CC[C@]1([C@@H](C)Cl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905110 WAXOVDWXZHXASV-NVAPDCRFSA-N 395.927 4.864 50 1 GJGF O=C(N/N=C/C1CCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1 73195783 CPXRFPLYJXNASC-AFUMVMLFSA-N 398.466 4.995 50 1 GJGF CC(C)COc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972406 PTPNUVDGKDWZLN-ONEGZZNKSA-N 388.103 4.768 50 1 GJGF N#Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497399 CHGXVHKWGOJICL-OAQYLSRUSA-N 396.284 4.693 50 1 GJGF Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499582 WBBHVCSRVOKMMW-JOCHJYFZSA-N 385.891 4.812 50 1 GJGF Cc1csc([C@H](C#N)[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535684 NPOLZHNCGFSHHS-OXJNMPFZSA-N 386.904 4.581 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCl)cc1 587543148 JNIYBCCRMVEMTI-SIKLNZKXSA-N 396.826 4.713 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2)N1 587689818 WRZLHQHDWPVSAC-KPZWWZAWSA-N 382.704 4.799 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(C)cc(C)c1C(=O)CBr 587898664 OMMXIDXANZEPBS-UHFFFAOYSA-N 391.692 4.943 50 1 GJGF Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C[C@H](Cl)c1ccccc1 473136944 VMTZCKPMAFGPEN-HNNXBMFYSA-N 384.270 4.709 50 1 GJGF COc1ccc(-c2nc(CNC(=O)CCCl)cc3c2[nH]c2ccccc23)cc1 1857635692 RJURCEJCUWXFEY-UHFFFAOYSA-N 393.874 4.637 50 1 GJGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@H](O)C(C)=C[C@@H]3O2)O1 2356337118 VWADHHNIZLGVSH-RYWAYVEBSA-N 398.543 4.962 50 1 GJGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])Nc1nc2c(ccc3ccccc32)s1 40402575 GQJZWYGLPPXNKX-RGVLZGJSSA-N 391.412 4.513 50 1 GJGF CC(=O)[C@@H]1[C@@H](O)C[C@H](Br)[C@@]2(C)CC[C@@]3(C)[C@H](C(C)C)CC[C@@H]3[C@@H]12 45389842 QWBOKBWTXUULSX-SMFWUXHRSA-N 385.386 4.825 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)ccnc2[nH]1 586974451 WRDIGUGHDRMUDA-VIFPVBQESA-N 395.098 4.767 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@@H]2Cl)[C@H]1c1ccc(F)cc1 587329266 LAAHMYDMWXVKFS-FUDKSRODSA-N 394.829 4.949 50 1 GJGF CC(C)[C@@H](Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587671290 QFBRTWUQWXTJSD-WZYXQFPFSA-N 379.111 4.583 50 1 GJGF O=C(CBr)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 82151998 XWXQOTOAPKJTFL-XCVCLJGOSA-N 378.653 4.570 50 1 GJGF CCCCOC(=O)c1cccc2nc3cc(C(=O)CCCCl)ccc3nc12 103221382 GMEGJNPKDCJOBX-UHFFFAOYSA-N 384.863 4.942 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](CBr)C3 587101060 CIYYKCYSVPBIIX-GFCCVEGCSA-N 378.269 4.946 50 1 GJGF C[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 169352120 NZMAWDRECONYOL-XSXHMXBXSA-N 394.273 4.938 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2Br)N1 587685983 VBEBFXLOMJHPKQ-TURNYIBQSA-N 391.122 4.655 50 1 GJGF N#CCC(=O)N/N=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12510677 JLXVUTBNPFOAPG-ONUIUJJFSA-N 378.435 4.661 50 1 GJGF COc1ccc(CCc2nnc(CCCC[C@@H]3CCSS3)o2)cc1OC 28823691 FIZRLFHEMZVVOV-OAHLLOKOSA-N 394.562 4.739 50 1 GJGF CC(C)COc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587009003 QUSLQWNMWWXOQS-QMMMGPOBSA-N 376.092 4.816 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCl)cc1 587543146 JNIYBCCRMVEMTI-DENIHFKCSA-N 396.826 4.713 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(F)c1 587569336 HQLNHIYLLDCZCM-RXVVDRJESA-N 384.790 4.627 50 1 GJGF COc1ccc(-c2nnc(NC(=O)N/N=C\C=C(\C)CCC=C(C)C)o2)cc1 103219244 YZVVEQAIEQWCTD-LLRIMJKVSA-N 383.452 4.545 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)Br)CC2=O 587455863 GYUPJCLYDFUHJE-RNODOKPDSA-N 389.289 4.989 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1F)CC2=O 587467008 PJIJBCUEPRKPTM-LJQANCHMSA-N 393.252 4.739 50 1 GJGF CC(C)[C@H](Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587671289 QFBRTWUQWXTJSD-ULOPGQLASA-N 379.111 4.583 50 1 GJGF Cc1ccc(C2OOC(c3ccc(CNc4ccc(O)cc4)cc3)OO2)cc1 72174942 HMTRDRCGOVQASR-UHFFFAOYSA-N 379.412 4.920 50 1 GJGF C=C(C)[C@@H](CC[C@@]1(C)CC/C(C)=C/[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 101622303 FAXDRDJWQDFFGZ-QNZFYKGPSA-N 380.525 4.656 50 1 GJGF O=C1C[C@@H](c2cc(CCl)c3c(c2)COCO3)Oc2c1ccc1c2CCCC1 587497262 IDTMMUMMSKBGER-FQEVSTJZSA-N 384.859 4.877 50 1 GJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)C)c1 204206662 OWKLATYAACTCSY-UHFFFAOYSA-N 392.421 4.908 50 1 GJGF COc1cc(SC#N)ccc1/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1O 104691352 IUGMGDVSKKZUII-LSHDLFTRSA-N 398.875 4.872 50 1 GJGF CC1=CC[C@@H](Br)C(C)(C)[C@]12CC[C@](C)(O)[C@@H](Br)C2 140111632 LKZVLPVFTMUQRT-DHMWGJHJSA-N 380.164 4.811 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(Br)CC2)N1 587679017 DXCXVHMCQLHEHX-IEBVAXJPSA-N 391.122 4.655 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(CN2C(=O)CCC(C#N)=C2C)cc1 587905571 ACNHCNBGCDDDBG-UHFFFAOYSA-N 390.870 4.668 50 1 GJGF O=C(N/N=C(/c1ccc2c(c1)CCCC2)C1CC1)c1cc2ccccc2cc1O 103234594 NVMQNCCUVHSVGV-SHHOIMCASA-N 384.479 4.968 50 1 GJGF COc1ccc([C@@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963116453 XILZTZHHSVTCKE-GOSISDBHSA-N 386.706 4.639 50 1 GJGF N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@H]1c1ccc(Cl)cc1 1857574433 MDTLGCWCQGUDJS-SFHVURJKSA-N 399.837 4.965 50 1 GJGF FC(F)(F)Oc1cc(Br)cc2nc(/C=C\CBr)[nH]c12 586974383 VZDCMOJRNYOEJP-UPHRSURJSA-N 399.992 4.632 50 1 GJGF O=C1C[C@](CCl)(c2ccc3[nH]c(O)cc3c2)Oc2c1ccc1c2CCCC1 587496320 CFDIQCAPYMQPBV-QFIPXVFZSA-N 381.859 4.852 50 1 GJGF O=C(N/N=C/c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1857559243 JLAOQRUQTQMZLX-FSJBWODESA-N 377.831 4.700 50 1 GJGF CC1=Nc2ccccc2/C1=C/NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 100537931 MBNVKMXCUDXCHL-UCPLLFFYSA-N 393.490 4.761 50 3 GJGF C[C@H](Br)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587008719 NMKOKRIYDZUWRH-BYPYZUCNSA-N 387.981 4.680 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)C)N1 587672603 GPHNGKYHEZIHQZ-BJOHPYRUSA-N 393.138 4.759 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(COc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587417069 JAIYXGUSQMRTDI-PGRDOPGGSA-N 386.875 4.623 50 1 GJGF ClC[C@@]1(c2cnc(Cl)s2)c2ccsc2CCN1Cc1cccnc1 963018697 YAFAQFNPWGSXBM-KRWDZBQOSA-N 396.368 4.794 50 1 GJGF C[C@@]1(c2cccc(N=C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339222 RQPYNBCKENZTAA-GMAHTHKFSA-N 389.382 4.773 50 1 GJGF COc1ccc(-c2cc(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)[nH]n2)cc1 263590467 JPDYREKENZYBCI-UHFFFAOYSA-N 396.450 4.516 50 3 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cn(CCC#N)c3ccccc13)O2 587370645 AUGOQOWNDYRXAC-JOCHJYFZSA-N 393.874 4.545 50 1 GJGF CCCC[C@@H](Br)C(=O)C(Br)=C(Cl)Br 2356663593 NMYLZTSOXQKMNR-RXMQYKEDSA-N 397.332 4.707 50 1 GJGF CCOC(=O)/C=C/c1cccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73388691 IHHWKVHXRAIFAK-YYVWFHOOSA-N 396.446 4.634 50 1 GJGF CSc1ccccc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587408748 ILUAQLZHXZFWRY-SFHVURJKSA-N 392.318 4.555 50 1 GJGF CC[C@@]1(CCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539344 VRIJCSJIIJBOPX-APWZRJJASA-N 391.261 4.678 50 1 GJGF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CBr)CC[C@@H]12 84672392 YBCCBWKFKREPNU-VTBMCCKRSA-N 397.397 4.970 50 1 GJGF Cc1ccc(-c2ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c(Cl)c2)cc1F 587145607 NXXURHUOLSTOBW-UHFFFAOYSA-N 394.837 4.601 50 1 GJGF CC(C)[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)CC[C@@]12C 2356719647 DDQRJEVPJMWPLK-NPFOMWILSA-N 387.402 4.760 50 1 GJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@@H]1Br 587458513 KHEHFPBIJWKDQX-AZUAARDMSA-N 387.273 4.525 50 1 GJGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614286 RTGALQHLOKCEHZ-XLIONFOSSA-N 386.856 4.858 50 1 GJGF CC(C=CC(Cl)=C(C)C(=O)C(Br)Br)=CCl 2356799401 UKMJMUJLBRKKIP-UHFFFAOYSA-N 376.903 4.883 50 1 GJGF Cc1cccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)c1 299838892 OQZWZQLGJADKDM-IQULRFRNSA-N 396.903 4.656 50 1 GJGF CC(=N)/C(C#N)=C(/O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 101483273 SSPKLOFTNFMKQG-QOYUCDMASA-N 381.505 4.782 50 1 GJGF C[C@H](Br)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587008732 NPGHFJOYZKMFHN-BYPYZUCNSA-N 387.981 4.680 50 1 GJGF NNC(=O)c1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048109 QUVLBTMUJXVJGE-UHFFFAOYSA-N 397.265 4.807 50 1 GJGF Oc1ccc2c(c1)[C@@](CCCCl)(c1ccc(Br)s1)NCC2 963352124 JEJUOTSKNLJPCM-INIZCTEOSA-N 386.742 4.625 50 1 GJGF C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)c3ccc(O)cc3CC[C@H]12 2356836635 GJVBORZPPIFWKW-WWNPGLIZSA-N 395.455 4.916 50 1 GJGF CC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 100095021 SGTSZTLPOBUMKG-FRVRMDIASA-N 396.524 4.996 50 1 GJGF in-vitro COc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2Cl)C(C)(C)C)cc1 103196131 IHHGYIAMYMBJEN-UHFFFAOYSA-N 388.895 4.551 50 1 GJGF C[C@]1(c2cccc(N=C=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339224 RQPYNBCKENZTAA-JTHBVZDNSA-N 389.382 4.773 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(C(=O)Cl)cccc21 587373789 SRSDXEQVGDMNMN-QHCPKHFHSA-N 389.838 4.846 50 1 GJGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@H](Br)[C@@H]1Cl 2356569915 UELSXBUWEOOWJY-ZOBORPQBSA-N 396.550 4.783 50 1 GJGF CCN(CC)CCOc1cccc(/C=C(\C#N)c2noc3ccc(OC)cc23)c1 40640956 QFURYQVOCDWQDS-QGOAFFKASA-N 391.471 4.621 50 1 GJGF CCCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccccc1 13589890 QFADNOVKNDFOQL-HNNXBMFYSA-N 375.929 4.740 50 1 GJGF CS(=O)(=O)c1ccc2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1 587650130 YCDSHFGSLYOPHE-UHFFFAOYSA-N 377.937 4.778 50 1 GJGF C[C@@H]1CC[C@@]2(c3ccsc3CCN2Cc2cccn2C)[C@H](Br)C1 962378651 ZAXLCQSEVZPMNX-NIKGAXFTSA-N 393.394 4.924 50 1 GJGF CCN(C)C(=O)Oc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1 1857745486 IJIZELZKMWGYRB-INIZCTEOSA-N 382.551 4.790 50 1 GJGF Cc1ccc(N=Nc2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C 299848821 XVOBGLSAVMMBSJ-GCIOFKFVSA-N 387.443 4.771 50 1 GJGF O=C1c2ccccc2-c2c(C3CC3)c(CBr)nc3ccc(O)c1c23 586984754 PHTIGIPYLZWKCG-UHFFFAOYSA-N 380.241 4.924 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 587329277 LAAHMYDMWXVKFS-XJUOHMSHSA-N 394.829 4.949 50 1 GJGF C=C[C@H](CBr)CC[C@@H](Br)C(C)(C)Br 1638701 DDAFCJUPWFHYDG-DTWKUNHWSA-N 376.958 4.901 50 1 GJGF CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)s1 221338120 GCHIRSFJZUGRSD-FOKLQQMPSA-N 386.423 4.725 50 1 GJGF CC(C)CCOc1cc2nc(CBr)[nH]c2cc1Br 586970639 CZWPEYUJUFDVKV-UHFFFAOYSA-N 376.092 4.645 50 1 GJGF COc1cc2c3c(c1)O[C@](c1c(C)[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O 587417860 QDNRPEXQENPFPW-CKRFGLGXSA-N 381.859 4.755 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/CCl)cc1 587883381 JCLBBQGRGGUAPT-HNQUOIGGSA-N 392.713 4.956 50 1 GJGF Cc1ccc(C(=O)NN=C2C[C@@H](c3ccccc3)N[C@H](c3ccccc3)C2)cc1 1772606231 RTTQSGJLKJCOQE-ZEQRLZLVSA-N 383.495 4.947 50 1 GJGF N#CSC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531707 IXJMMVYAURRRRM-NRFANRHFSA-N 394.452 4.549 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@H]1CC=C(C)[C@@H](O)CBr 2356486647 ZDLGZFBKBCSKKQ-IHRRRGAJSA-N 380.164 4.835 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccccc1 587544237 NGJHRHKKWIUWEK-UGKGYDQZSA-N 380.827 4.878 50 1 GJGF O=C(OCC1=CC=C(COC(=O)c2ccccc2)SS1)c1ccccc1 592299 HBMVYCUWDUTELL-UHFFFAOYSA-N 384.478 4.863 50 1 GJGF CC1=C(C#N)[C@H](c2cccc3c2-c2ccccc2C3=O)C(C(=O)OC(C)C)=C(C)N1 43099933 YRCCQBDFMJYFKI-QHCPKHFHSA-N 398.462 4.608 50 1 GJGF NCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 137363119 VMONZEUPUYQQHE-UHFFFAOYSA-N 399.531 4.509 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ncc(Cl)cc1F)CC2=O 587467156 ONVWOVQOUVDOMR-SFHVURJKSA-N 384.234 4.632 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)Cl)N1 587689850 XEHUHJQGWWTRBN-FMTVUPSXSA-N 382.704 4.993 50 1 GJGF CC(C)[C@@H]1CC[C@@H]2[C@H](O)[C@H]3[C@](C)(CC[C@]12C)[C@@H](Br)CC[C@@]3(C)O 2356719650 DDQRJEVPJMWPLK-YSKUOOHISA-N 387.402 4.760 50 1 GJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1 140196291 WUFZGMUGDGETGF-DKNXKHEBSA-N 383.536 4.775 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)ccc2O)N1 587686405 UXRZJYFJZSYVEH-XYZCENFISA-N 384.676 4.656 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2c(Cl)c(Br)cnc2[nH]1 587086659 GACKIWZFMOSUNB-SSDOTTSWSA-N 385.462 4.558 50 1 GJGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1CCl 587877674 RDWKBHLIXMGCSO-UHFFFAOYSA-N 380.702 4.751 50 1 GJGF CC[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669297 CPGUGCGGJUUULG-ATEUNZGCSA-N 379.111 4.511 50 1 GJGF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CC=CC(C)(C)OO)[C@@H]2C[C@H]2[C@](C)(O)C1 2356599658 IHAVJIZXNLZVTI-QTTNWMCISA-N 380.525 4.656 50 1 GJGF CCCCCOc1cc2nc(CBr)[nH]c2cc1Br 586970796 GWRSLEISGWCGFK-UHFFFAOYSA-N 376.092 4.789 50 1 GJGF Fc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(F)cc2)cc1 29136095 VAORLJQUVFIABJ-GOSISDBHSA-N 399.832 4.697 50 1 GJGF COC(=O)C[C@@H](C)CC/C=C(/C)CC/C=C(/C=O)CC/C=C(\C)C(=O)OC 238751486 WZLAUFBDRGDKJA-JFZKMDQQSA-N 378.509 4.717 50 1 GJGF C[C@H](Br)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671938 VXOZPCAFUFXVKP-CEFVDNRUSA-N 391.122 4.511 50 1 GJGF O=c1cc(CCl)nc2c(-c3cccc4ccccc34)c(C(F)(F)F)[nH]n12 169724615 PAIKWVVGBGIKJH-UHFFFAOYSA-N 377.753 4.600 50 1 GJGF C=C1CC=CC(C)(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356729543 QHYOKLZXJMYIOC-PKRADWSKSA-N 383.370 4.767 50 1 GJGF CCCCCNC(=O)c1ccc(C2OOC(c3ccc(CC)cc3)OO2)cc1 72175169 CEGCNNISMZAGIK-UHFFFAOYSA-N 385.460 4.776 50 1 GJGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)cc1 299859572 FYEQDYDTJYIUAZ-OEAKJJBVSA-N 387.464 4.736 50 1 GJGF O=c1c(SSc2coc3cc(F)ccc3c2=O)coc2cc(F)ccc12 1646821 HZSCPEOBHAYHPB-UHFFFAOYSA-N 390.388 4.977 50 1 GJGF COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(C)c1ccccc1 36311326 GJDIATLWJHNQTA-UHFFFAOYSA-N 383.451 4.692 50 1 GJGF CCCCCCCCCSC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 43411513 YBECSNNLDHXCRI-UHFFFAOYSA-N 383.539 4.598 50 1 GJGF COc1ccc(OC)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587497690 KLMVJUDFJGTKPV-JOCHJYFZSA-N 386.875 4.682 50 1 GJGF C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](Br)C=C(Br)C3(C)C 140441268 WHFAQDLZVFPXLA-ONAWRNRTSA-N 392.131 4.535 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCC2)N1 587671957 BZYUWPIUWFWTRE-VFZGTOFNSA-N 391.122 4.513 50 1 GJGF CC1(C)C[C@H](Br)C[C@@](C)(O)[C@]12C=CC(=CBr)CC2 2356557096 AAUMBOCDCYMWBT-CFVMTHIKSA-N 378.148 4.936 50 1 GJGF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C 27752036 KYNGRVNVTPVYIO-JKSUJKDBSA-N 375.306 4.944 50 1 GJGF CC(C)c1nn(C)c2c1[C@](CCl)(CC13CC4CC(CC(C4)C1)C3)NCC2 962904063 AVLKWVDSAOPWKE-LLEDGLJBSA-N 375.988 4.730 50 1 GJGF CC[C@H](/C=C/[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 261523534 SGTSZTLPOBUMKG-LELPAKJXSA-N 396.524 4.996 50 1 GJGF in-vitro CC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2 238781534 QRVGGXHFBGZNEV-GUTXKFCHSA-N 378.148 4.936 50 1 GJGF COC(=O)c1ccc(Oc2ccc3nc(/C=C\CBr)[nH]c3c2)cc1 586972777 BGUOMQSLBGLWHM-IHWYPQMZSA-N 387.233 4.550 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ncccc13)([C@@H](C)Cl)CC2=O 587459326 OEYGXZCGAQLLAW-XUSGNXJCSA-N 384.863 4.709 50 1 GJGF CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506188 QZXMUGUJQUODRX-VIESLWHTSA-N 390.458 4.534 50 1 GJGF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C(Cl)Cl)[C@@H](C2)C3=O 587419142 WYAYHGMHIPUFQU-UGSOOPFHSA-N 383.658 4.795 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586970537 CDLDYNDEVSRYDI-INIZCTEOSA-N 385.265 4.520 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845231 CZUOFRCAQSRVQS-FVMDXXJSSA-N 388.733 4.975 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@H]1CC=C(C)[C@H](O)CBr 2356486649 ZDLGZFBKBCSKKQ-MJBXVCDLSA-N 380.164 4.835 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103188909 KGTASLZVWISSEZ-BLWYLUKMSA-N 376.518 4.987 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 169371023 IPEWKPDVRIFZHI-FJDVCEGKSA-N 388.891 4.699 50 1 GJGF CCCOc1cc2nc(CCCCBr)[nH]c2cc1Br 586972503 VCDJOLFSNJFZKQ-UHFFFAOYSA-N 390.119 4.832 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@H]2Cl 587706525 QGKLLZMVQASAPR-TZOQJCELSA-N 380.688 4.530 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(Cc1ccccc1)CC2=O 587456527 QBICMRLZNJNCPZ-HXUWFJFHSA-N 389.289 4.686 50 1 GJGF C=CCCCCCCCc1cc2c(=O)n(CCBr)cnc2s1 653723264 KCZQQHBDZXSHIA-UHFFFAOYSA-N 383.355 4.922 50 1 GJGF CC(C)[C@@H](Cl)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955591 MSGNXWWGOOFPEB-SJORKVTESA-N 375.862 4.835 50 1 GJGF COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587452144 MEQHVAVBMHDILN-WMZHIEFXSA-N 387.460 4.706 50 1 GJGF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CBr)cc1)CC2=O 587456584 RMNMOLRMJPMBHP-GOSISDBHSA-N 375.262 4.946 50 1 GJGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)[nH]1 587690177 ZUEOYHNIMPFTFJ-QGHHPUGFSA-N 385.708 4.550 50 1 GJGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356556454 BERVNSMGLDGYPR-YDHLFZDLSA-N 376.132 4.712 50 1 GJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)C[C@@H](C)O3)C(C)(C)C)c1 103203925 KXTYESJGIYSHKI-MRXNPFEDSA-N 394.515 4.521 50 1 GJGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@@H](O)CCl 299828018 GNMQVGMADCLFIC-CVNLYIMZSA-N 392.967 4.963 50 1 GJGF CC[C@H](C)c1ccc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962930756 MLAHGIONSGORRL-HJPURHCSSA-N 384.951 4.530 50 1 GJGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CCC(C)=C(Br)C2 2356606460 QRVGGXHFBGZNEV-KCQAQPDRSA-N 378.148 4.936 50 1 GJGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccc2F)n1 13647754 QLZYSIRCTUYJKI-HMMYKYKNSA-N 389.459 4.680 50 1 GJGF CCCSC1=C(C=O)CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 45254237 DNWBMGUARKIDNZ-UHFFFAOYSA-N 388.558 4.574 50 1 GJGF N#CC1=C(N)Oc2c(c(O)nc3c2ccc2ccccc23)[C@@H]1c1ccc(Cl)cc1 1857574432 MDTLGCWCQGUDJS-GOSISDBHSA-N 399.837 4.965 50 1 GJGF CN1CCN(C2=Nc3cc(Cl)ccc3/C(=C/C#N)c3ccc(Cl)cc32)CC1 40434165 ZAWDLOTYWSLZKT-UBKPWBPPSA-N 397.309 4.588 50 1 GJGF ClCCN(CCCl)CCCOc1cccc2cc3ccccc3nc12 44031786 VSZFGNIMENPJMJ-UHFFFAOYSA-N 377.315 4.937 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)[C@H](C)Br 587898010 CWEWKQFCMMVNBY-LBPRGKRZSA-N 377.665 4.715 50 1 GJGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)C(=C(C)C=CC=O)C(=O)C[C@H]32)C1(C)C 2356809884 ATXVBBVHLSEAQK-YBROWDRVSA-N 386.532 4.821 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1C(=O)Cl)O2 587373456 QTYKZZCRITYZFL-QHCPKHFHSA-N 391.854 4.865 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)cccc1Cl)O2 587381070 GBEXZFOUUNPGPW-KRWDZBQOSA-N 398.659 4.625 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCC2)N1 587671956 BZYUWPIUWFWTRE-RFAUZJTJSA-N 391.122 4.513 50 1 GJGF O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Cl)cc1 299860919 JYFFXLIXNHPIDX-UHFFFAOYSA-N 388.858 4.631 50 1 GJGF COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587496801 FSYMPKGUNBYJEW-JOCHJYFZSA-N 386.875 4.682 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCC(F)(F)CC1)O2 587380810 AWQLVAPAITZCEB-INIZCTEOSA-N 388.252 4.502 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@@H](C)Br)O2 587372425 IREMFZGITHWALE-ADLMAVQZSA-N 394.696 4.875 50 1 GJGF C=C1CC[C@H](C)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356307433 WYPXMKLNZILWFT-RKMHRGGXSA-N 383.370 4.767 50 1 GJGF C[C@@H](NC(=O)[C@]1(C)C[C@](Cl)(CCl)C1)c1ccc(Br)cc1 103205782 GHWOIRDPMOKWCX-VCTAVGKDSA-N 379.125 4.643 50 1 GJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3cc(C)oc3c2)C(C)(C)C)c1 103215823 XEEMTOZCOTZEAF-UHFFFAOYSA-N 378.472 4.944 50 1 GJGF O=P(NCc1ccccc1-c1cccnc1)(c1ccccc1)c1ccccc1 95595074 DHYYFTONAREHFK-UHFFFAOYSA-N 384.419 4.767 50 1 GJGF C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356556453 BERVNSMGLDGYPR-KCQAQPDRSA-N 376.132 4.712 50 1 GJGF C=C1CC=CC(C)(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356729541 QHYOKLZXJMYIOC-JGLNRKDHSA-N 383.370 4.767 50 1 GJGF C=N[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(N=C)[C@H]2CC[C@]1(C)O 2356752452 QOEVUIRXHICMBB-UAJZKUBTSA-N 397.003 4.657 50 1 GJGF Cc1ccc2c3c(c4c(nc13)C(=O)[C@@H](Br)CC4)-c1ccccc1C2=O 586993762 NUTGAJDQCGYZLS-HNNXBMFYSA-N 392.252 4.647 50 1 GJGF O=C1C[C@@](CBr)(c2ccsc2)Oc2c1ccc1c2CCCC1 587536647 YMHYGCHUEVGVFD-GOSISDBHSA-N 377.303 4.883 50 1 GJGF C[C@@]1(c2cccc(NC(=O)CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587497597 JHMAAVAGYKKWBE-QFIPXVFZSA-N 383.875 4.623 50 1 GJGF Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511620 MFTITLCYOBUCLM-RALKEJGDSA-N 386.495 4.704 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(Br)CC2)N1 587686483 WGSXYIUREXCZPC-IEBVAXJPSA-N 391.122 4.655 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2)N1 587735420 PTEUNOUSJDBFEH-BTDLBPIBSA-N 386.667 4.744 50 1 GJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963097785 NMMXKEYLCISQPW-OSGPJOMKSA-N 386.898 4.676 50 1 GJGF C[C@H](OC(=O)CCCC[C@@H](Cl)CCCCCC(Cl)Cl)C(=O)O 1911577527 ISBIDCLRYLGPPC-RYUDHWBXSA-N 375.720 4.925 50 1 GJGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(Cl)cc3)(C(F)(F)F)C2)cc1 1772635330 HKTSZMQHHSHLKQ-IBGZPJMESA-N 390.792 4.903 50 1 GJGF CC[C@@]1(CCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539345 VRIJCSJIIJBOPX-LPHOPBHVSA-N 391.261 4.678 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C=C2CC(C)(C)C[C@H]23)c(O)c1 2356849119 PSYAOSKFPRSDTM-ROMRWMGNSA-N 396.483 4.516 50 1 GJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3C(F)(F)F)c(SC#N)c2c1 587648710 ACMAHQFSWPRRDA-UHFFFAOYSA-N 396.415 4.830 50 1 GJGF C=C(C)[C@H](CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@H](C)CC)OO 84618943 BMEORAQEILRDFC-BSGXNPDHSA-N 378.465 4.866 50 1 GJGF C#CC=CC[C@@H]1C[C@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@H]1Br 2356729506 MXITVBDXYLJJHK-TWHJKIGZSA-N 390.159 4.687 50 1 GJGF CC=C(C)[C@@H]1[C@H](C=CC=C(C)C(C)=O)[C@@H]2C[C@H](Cl)[C@](C)(O)C[C@@H]2[C@@H]2O[C@@]21C 2356716983 CVRAYWZAMFZKCQ-VMMQAMJZSA-N 392.967 4.832 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 586970499 FVRDDCSNNFTMSZ-JTQLQIEISA-N 396.510 4.840 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CC)c1C)CC2=O 587459183 GQJQRBYGUGBQRA-OAQYLSRUSA-N 375.896 4.882 50 1 GJGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@@H]2Br 587496037 HJTOPACFQQIRSL-FPOVZHCZSA-N 383.285 4.746 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](OC(C)(C)C)[C@@H]2Cl)N1 587706472 QBOFSYLDKHTMHO-BSMYWONQSA-N 390.724 4.513 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(F)c2)N1 587734257 UTHCRIMWAMEBDD-BMLIUANNSA-N 386.667 4.744 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](OC(C)(C)C)[C@H]2Cl)N1 587706479 QBOFSYLDKHTMHO-MEZCYXNBSA-N 390.724 4.513 50 1 GJGF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccnc(CCl)n3)c2C1 587939345 DPSMXSCDHCLPFY-UHFFFAOYSA-N 383.854 4.967 50 1 GJGF O=C(N/N=C/c1ccccc1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857766465 NZNZQJRUIZCQCL-DHRITJCHSA-N 389.390 4.602 50 1 GJGF CC(C)OC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1 13675495 NJHBCELTHBZYPJ-GOSISDBHSA-N 398.894 4.551 50 1 GJGF O=C(CC12C[C@@H]3C[C@H](C1)CC(C1CCCC1)(C3)C2)N/N=C/c1ccc([N+](=O)[O-])o1 653887847 WASSTDLFCYIBGD-OFCXAWBRSA-N 399.491 4.805 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@]3(O)[C@H](C)C[C@H](O)[C@H]3C(C=O)=CC[C@H]12 2356326022 UBNPMTQHPOHFMQ-SPCQODSJSA-N 386.576 4.845 50 1 GJGF CC(=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@H](O)C(C)=C[C@@H]3O2)O1)CC=CC(C)C 2356478294 YRIGGXDSFBAFBS-RYWAYVEBSA-N 398.543 4.818 50 1 GJGF [C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261152113 PCSMSISWQCWMFT-OAQYLSRUSA-N 381.439 4.652 50 1 GJGF CC1=C[C@H](O)[C@H](Br)C(C)(C)[C@]12CCC(C)=C(Br)C2 2356606461 QRVGGXHFBGZNEV-YDHLFZDLSA-N 378.148 4.936 50 1 GJGF C=C(C)[C@@H](CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@H](C)CC)OO 84618947 BMEORAQEILRDFC-ATRPVMHDSA-N 378.465 4.866 50 1 GJGF COc1ccc(/C=C\C(=O)C2=C(C=O)[C@H](C=O)[C@@]3(C)CCCC(C)(C)[C@@H]3C2)cc1 238759583 BJIKCZAVEKVMKG-XZNJJCMMSA-N 394.511 4.824 50 1 GJGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCCCl)c1cccc(F)c1 963049920 WQBRJTGPDLPXCL-QFIPXVFZSA-N 384.882 4.791 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587683505 HLDTZRCIKMOFMF-PAKRVPSDSA-N 386.736 4.993 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccc(Br)cc1)O2 587374521 YPWPTHLWNAGHTD-SFHVURJKSA-N 394.696 4.525 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](C)Cl)O2 587370671 HHBOWOJTPKZMFP-VOJFVSQTSA-N 394.696 4.828 50 1 GJGF O=C1C[C@](CCl)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587498509 OAKVQLCMYLABKC-QHCPKHFHSA-N 398.886 4.826 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccccc1OC(=O)C(C)(C)CCl 587902667 KTUKOZMJTXOSHJ-UHFFFAOYSA-N 377.267 4.919 50 1 GJGF CCc1cccc2c([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418825 BBKROODYYHXZOC-OPAMFIHVSA-N 381.859 4.621 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@@H]2Cl 587701046 ADEGDEKQHHXFGA-KTTLUUMZSA-N 380.688 4.530 50 1 GJGF COc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)cc2c1 43201728 ZHFAARVXMYJTEZ-CYBMUJFWSA-N 379.847 4.641 50 1 GJGF CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505959 QZXMUGUJQUODRX-MMYRTMNYSA-N 390.458 4.534 50 1 GJGF O=C(CCC[C@@H]1OO[C@H]2CCC[C@](c3ccccc3)(OO1)O2)c1ccccc1 38158875 CSPBLIGIKIVPGE-BHDDXSALSA-N 384.428 4.655 50 1 GJGF COc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587498874 PZTHDVILVOALAN-DMZKTXOQSA-N 386.875 4.768 50 1 GJGF COc1ccc(-c2cc3c(n2-c2ccnc(CCl)n2)CC(C)(C)CC3=O)cc1 587940121 MJLUEACABVVULR-UHFFFAOYSA-N 395.890 4.837 50 1 GJGF ClCCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684435 WMUUAGPFJLNYBE-UHFFFAOYSA-N 376.847 4.818 50 1 GJGF Cc1cc(C)c(OC[C@H]2C[C@@H](O)CC(=O)O2)c([C@@H](Cl)C2CCCCC2)c1 26746658 JEIUHLQCZMJKSE-HLIPFELVSA-N 380.912 4.609 50 1 GJGF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)C)N1 587673700 PMDHGTNKSLBLON-PSLIRLAXSA-N 393.138 4.759 50 1 GJGF C=N[C@@H]1[C@H]2[C@@H]([C@]3(C)CC[C@@H](Cl)C(C)(C)O3)CC[C@@](C)(N=C)[C@H]2CC[C@]1(C)O 2356752450 QOEVUIRXHICMBB-PSDTUPOISA-N 397.003 4.657 50 1 GJGF O=C(CCCC[C@H]1CCSS1)OC1CCN(CCc2ccccc2)CC1 95583812 YPTKVGKNUXTXKY-FQEVSTJZSA-N 393.618 4.951 50 1 GJGF Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C[C@@H](Cl)c1ccccc1 473136945 VMTZCKPMAFGPEN-OAHLLOKOSA-N 384.270 4.709 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(COc2ccccc2)N1 587688680 NAULLOOFQHZAMG-XIKOKIGWSA-N 398.703 4.636 50 1 GJGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=O)[C@]3(C)CC[C@H]2C1(C)C 2356809882 ATXVBBVHLSEAQK-QWYWRFGTSA-N 386.532 4.821 50 1 GJGF O=C(N/N=C/c1ccccc1Cl)c1nc2ccccc2nc1-c1ccccc1 40900142 LUIUOAZCMWVYPV-ZVHZXABRSA-N 386.842 4.714 50 1 GJGF O=C(CCCCCCC(=O)Nc1ccccc1O)NN=C1CCCCCCC1 95808858 NHBBUXVZLNSVDB-UHFFFAOYSA-N 387.524 4.888 50 1 GJGF CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCOCc1ccccc1)CCC[C@@H]3CC2(C)C 100860643 AOUXKPINNPCWQO-QWCYLASJSA-N 390.520 4.845 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(Br)c(F)c1)O2 587383113 XQZVDJQRHRUYDJ-QGZVFWFLSA-N 398.659 4.578 50 1 GJGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@]12C=CC(=CBr)CC2 2356556451 BERVNSMGLDGYPR-GUTXKFCHSA-N 376.132 4.712 50 1 GJGF C=C[C@@H](CBr)CC[C@H](Br)C(C)(C)Br 1638704 DDAFCJUPWFHYDG-BDAKNGLRSA-N 376.958 4.901 50 1 GJGF COC(=O)C(C)(C)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCCl)cc1 587638545 NFERKFFHLZYYJE-UHFFFAOYSA-N 399.874 4.765 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCC2)N1 587674409 WLNGCMCXULAPTH-VFZGTOFNSA-N 391.122 4.513 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2ccccc2)N1 587688658 MXIKMKPSOXNVKI-KZULUSFZSA-N 382.704 4.799 50 1 GJGF O=C1[C@H](Cl)[C@H](c2ccc(F)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772633393 WYTIDXDNSXBFFA-SJORKVTESA-N 376.218 4.545 50 1 GJGF COc1ccc(N(C)c2cc(C)nc3ccccc23)cc1NC(=O)CCCl 1857747622 REFSXYZASMJDRE-UHFFFAOYSA-N 383.879 4.887 50 1 GJGF C=C1CC[C@@]2(C)[C@H](C=CCC[C@H]1C(C)C)[C@@](C)(O)[C@@H](O)C[C@H]2Br 2356590477 OSFHGDFNIHPDBE-CFSBILQPSA-N 385.386 4.847 50 1 GJGF Cc1ccc(/C=N\NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 103189741 HSSSYVJXNUECEU-UPPWUEATSA-N 391.707 4.934 50 1 GJGF C=CCC[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674504 XFVZXKFLCMORIB-ZUZCIYMTSA-N 391.122 4.679 50 1 GJGF C=C(C)[C@H](CCC(C)=CCOc1cc(O)cc(O)c1C(=O)[C@H](C)CC)OO 2356779598 BMEORAQEILRDFC-QAPCUYQASA-N 378.465 4.866 50 1 GJGF Fc1ccc([C@H](Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1 49808457 AAMZEJILAVQVEW-QGZVFWFLSA-N 385.805 4.828 50 1 GJGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C/C(=C\Br)CC2 33838885 BERVNSMGLDGYPR-CGJGQCBQSA-N 376.132 4.712 50 1 GJGF biogenic,in-vitro O=C1c2ccc(O)cc2O[C@@](CCl)(CCCCl)[C@H]1c1ccc(F)cc1 587329589 YNGADFNUECSXSB-PKOBYXMFSA-N 383.246 4.887 50 1 GJGF O=C(N/N=C\c1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13108591 VSKQBNLMLOXVED-QFEZKATASA-N 386.842 4.714 50 1 GJGF CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCOCc1ccccc1)CCC[C@@H]3CC2(C)C 43328026 AOUXKPINNPCWQO-SSQPMERFSA-N 390.520 4.845 50 1 GJGF CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)[C@H]1c1ccccc1Cl 58576366 FONVSYLXWUQRJN-LJQANCHMSA-N 378.859 4.799 50 1 GJGF C=C(C)[C@@H](CC[C@@]1(C)CC/C(C)=C\[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 139526545 FAXDRDJWQDFFGZ-ULJLNPKRSA-N 380.525 4.656 50 1 GJGF C=C[C@](C)(O)CC[C@@H](Br)[C@]1(C)CC[C@H](Br)C(C)(C)O1 95913958 HETKQJWBRYLJQV-NEBZKDRISA-N 398.179 4.578 50 1 GJGF biogenic,in-vitro O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196281 BGICFTAPNXGQBD-HZPDHXFCSA-N 375.280 4.872 50 1 GJGF C=C[C@]1(C)C(Cl)=C[C@@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3)C2(C)C 238768198 AVHUCHOOGRXBJM-LARVSFNGSA-N 398.915 4.574 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCl)(c1ccc(Br)cc1)O2 587372065 NWGVKEJCVWNGAV-GOSISDBHSA-N 394.696 4.829 50 1 GJGF COc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)cc2c1 43201727 ZHFAARVXMYJTEZ-ZDUSSCGKSA-N 379.847 4.641 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OC)c(F)c1)CC2=O 587466750 NWADYSVXZXZIDP-FQEVSTJZSA-N 378.827 4.592 50 1 GJGF CC(C)(C)[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542596 HUAJVQLBHMEXHZ-AUUYWEPGSA-N 381.255 4.942 50 1 GJGF CC[C@H](/C=C/[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 100095025 SGTSZTLPOBUMKG-NYAILFNASA-N 396.524 4.996 50 1 GJGF in-vitro CC(C)(C)[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542601 HUAJVQLBHMEXHZ-LIRRHRJNSA-N 381.255 4.942 50 1 GJGF Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587499378 MLCHOOBNYCWOFT-LJQANCHMSA-N 375.262 4.722 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCl)cc2)N1 587686997 YKECLGNTVCSIDZ-ADLMAVQZSA-N 398.703 4.829 50 1 GJGF N#CC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587340153 UJKDKYUCGBMMIH-LADGPHEKSA-N 399.377 4.586 50 1 GJGF C[C@@]1(c2ccc(O)c(CCl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542012 HFKFQLGTFUBCPV-KNQAVFIVSA-N 396.826 4.714 50 1 GJGF O=C1C[C@H](c2cc(CCl)c3c(c2)COCO3)Oc2c1ccc1c2CCCC1 587497263 IDTMMUMMSKBGER-HXUWFJFHSA-N 384.859 4.877 50 1 GJGF Fc1ccccc1CNc1ncnc2c1cnn2C[C@@H](Cl)c1ccccc1 29151490 VCOAOUSBGWYYLM-QGZVFWFLSA-N 381.842 4.558 50 1 GJGF CC(=N)/C(C#N)=C(\O)CSc1nnc(SCc2ccc(Cl)cc2)s1 103110648 YQCFAEMVNOIYGG-MOHAXHRMSA-N 396.950 4.951 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](CBr)C3 587101065 CIYYKCYSVPBIIX-LBPRGKRZSA-N 378.269 4.946 50 1 GJGF COc1ccc(C(=O)NN=C2C[C@@H](c3ccccc3)N[C@H](c3ccccc3)C2)cc1 1772610186 YFVRQFBSOWLFTB-ZEQRLZLVSA-N 399.494 4.647 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 195367440 IPEWKPDVRIFZHI-IIERAYBDSA-N 388.891 4.699 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC=C(C)[C@H](O)CBr 2356486648 ZDLGZFBKBCSKKQ-MCIONIFRSA-N 380.164 4.835 50 1 GJGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@@H]1c1ccc(O)cc1 169352136 VILKETMYBMOTQK-XSXHMXBXSA-N 392.282 4.504 50 1 GJGF CC(=O)[C@H](Br)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993038 HKNZCGVWPUWMSB-SFHVURJKSA-N 380.241 4.780 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)Cl)cc2)N1 587682013 MCFDOVSKOKITIS-JDNHERCYSA-N 382.660 4.591 50 1 GJGF CC1(C)[C@@H](Br)CC[C@]2(C)OC(=CBr)[C@@]3(C)O[C@@H]3C[C@@H]12 2356738913 JHYKYQBUFLQJDA-VHKOSHJNSA-N 394.147 4.759 50 1 GJGF Cc1ccc(-c2nnc(SCCOc3ccc(C=C(C#N)C#N)cc3)o2)cc1 103186340 XEMVHRGBDDHGGX-UHFFFAOYSA-N 388.452 4.647 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845229 CZUOFRCAQSRVQS-ABKXIKBNSA-N 388.733 4.975 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587687298 ZRVYPPRQORLYIN-PAKRVPSDSA-N 386.736 4.993 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587683318 GNHDGCULGWGALA-KZULUSFZSA-N 382.704 4.913 50 1 GJGF CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 33410138 BPBZMLGWBVGXGV-IWIPYMOSSA-N 385.423 4.657 50 1 GJGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@H](O)CCl 299828019 GNMQVGMADCLFIC-KPUOSGPGSA-N 392.967 4.963 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 586972933 CVXCQDKILJDPSW-GFCCVEGCSA-N 387.277 4.771 50 1 GJGF O=C1C[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587497143 KQPOAIWGDMGEJB-QFIPXVFZSA-N 379.843 4.673 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCl)cc2)N1 587686567 VWJBDGIHGZMJDG-BBATYDOGSA-N 398.703 4.829 50 1 GJGF Cc1cc2c(C(=O)NN(C(=O)c3ccccc3Cl)C(C)(C)C)cccc2o1 103215829 VUDFLPATFRRKDH-UHFFFAOYSA-N 384.863 4.980 50 1 GJGF O=C([C@H]1Cc2ccccc2[C@H](CCCCCCBr)N1)C(F)(F)F 962730099 LQIJQQVXEQAPSD-LSDHHAIUSA-N 392.259 4.719 50 1 GJGF FC(F)(F)c1c(Br)ccc2nc(/C=C/CBr)[nH]c12 586974795 ZXHFTDHDAABHHS-OWOJBTEDSA-N 383.993 4.752 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2cc(Br)c(C)c(C)c2[nH]1 586971827 YLKSZTONGQDVLI-GFCCVEGCSA-N 390.119 4.803 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Cl)Cl)(C(F)(F)F)N1 587705332 LVRWVCYBLWZWDV-GCXOYZPQSA-N 395.021 4.684 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@@H](C)Br)O2 587372432 IREMFZGITHWALE-ZMZPIMSZSA-N 394.696 4.875 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1F 587567657 IOXOCZBFXAPCOK-KNQAVFIVSA-N 398.817 4.713 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccccc1C(=O)[C@@H](C)Br 587898008 CWEWKQFCMMVNBY-GFCCVEGCSA-N 377.665 4.715 50 1 GJGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCl)c1nc2ccccc2[nH]1 962400332 ULVVCCNWZINDQP-NRFANRHFSA-N 396.947 4.504 50 1 GJGF CC1(C)O[C@](C)([C@@H]2CC[C@@](C)(C#N)[C@@H]3CC[C@](C)(O)[C@@H](C#N)[C@H]23)CC[C@H]1Cl 2356650889 UYWJZBDANPVSDN-MQLRPZERSA-N 392.971 4.798 50 1 GJGF O=C(N/N=C/c1cccc(Cl)c1)c1nc2ccccc2nc1-c1ccccc1 40899655 VNWDIIOUJYSOEK-ZVHZXABRSA-N 386.842 4.714 50 1 GJGF FC(F)(F)Oc1cc(Br)c2[nH]c([C@H](Cl)CCl)nc2c1 587009298 ZPATYKTWQXQQDS-ZCFIWIBFSA-N 377.975 4.743 50 1 GJGF FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 586973829 OZUGMUSDXZLASQ-OWOJBTEDSA-N 399.992 4.632 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587188374 QTGDTQWYNYXMJL-SDQBBNPISA-N 383.205 4.606 50 1 GJGF CSc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410864 QQISGYAOBAYZIM-SFHVURJKSA-N 392.318 4.555 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3ccccc3c1)O2 587373640 MPIDUENSQNHOLI-NRFANRHFSA-N 396.284 4.986 50 1 GJGF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl 587549307 ZKHXROZICPSFRX-DENIHFKCSA-N 396.826 4.843 50 1 GJGF CCOc1cc(C=NNC(=O)N(c2ccccc2)c2ccccc2)ccc1O 17129049 RBDLDNLSGMBWIA-UHFFFAOYSA-N 375.428 4.673 50 1 GJGF CCN(CC)CCOc1ccccc1/C=C(\C#N)c1noc2ccc(OC)cc12 40554436 WTMWDTUEEKHXDF-NBVRZTHBSA-N 391.471 4.621 50 1 GJGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1 1860760 IMWKRMJFEUPBBH-YCABEKBOSA-N 392.886 4.813 50 1 GJGF C=C(C)[C@H](CC[C@@]1(C)CC/C(C)=C\[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 139526436 FAXDRDJWQDFFGZ-XXRIYZCOSA-N 380.525 4.656 50 1 GJGF CN(C)CCSSCCCNC(=O)c1ccc(Oc2ccccc2)cc1 618007907 MQQMWFMRVBKCLS-UHFFFAOYSA-N 390.574 4.542 50 1 GJGF Cc1cccc(C(=O)N(NC(=O)c2ccc3c(c2C)CC(C)(C)O3)C(C)(C)C)c1 103205479 ISAKUDPEDSHWBD-UHFFFAOYSA-N 394.515 4.603 50 1 GJGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587689995 YKLWLBOTQAVTDR-DYZYQPBXSA-N 385.708 4.550 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 586974444 WPPCVVCGJBBGHT-VIFPVBQESA-N 375.657 4.530 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(I)cc3[nH]2)cc1 587187799 KXGNPDUITRNPFG-JYRVWZFOSA-N 385.208 4.540 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587372982 OMRVMQRTTDPVOS-YXUXOOTASA-N 378.310 4.501 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCBr)N1 587673482 NFPWZCIFJQJEOZ-OTYXRUKQSA-N 379.111 4.513 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586970540 CDLDYNDEVSRYDI-MRXNPFEDSA-N 385.265 4.520 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1cccc(Br)c1)O2 587377909 QGOLZEINEFSKDT-SFHVURJKSA-N 394.696 4.525 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2Br)N1 587681253 KDRAVYKZDMGYGE-DDHOLCJHSA-N 391.122 4.655 50 1 GJGF N#Cc1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500626 TXCDZOCVHXUONM-OAQYLSRUSA-N 396.284 4.693 50 1 GJGF C[C@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319216 ASRZUOSXKMBUGM-IEBWSBKVSA-N 393.252 4.824 50 1 GJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686986 YFVJCWRPUBNTHZ-BBATYDOGSA-N 398.703 4.613 50 1 GJGF CCCNc1nc(SCC)nc2c1cnn2C[C@H](Cl)c1ccccc1 13682743 GQEBJZBXGMJVOU-HNNXBMFYSA-N 375.929 4.740 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cnc2[nH]1 586973496 KNYIULFQHZJNKE-SECBINFHSA-N 395.098 4.767 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2Br)N1 587681251 KDRAVYKZDMGYGE-BCQZVRRWSA-N 391.122 4.655 50 1 GJGF CCOC(=O)/C(C#N)=C(/C)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906030 PLFAEKADMTUHAN-HKWRFOASSA-N 379.843 4.609 50 1 GJGF Cc1ccc([C@@H](Br)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169349016 MHYXZLKZAVDNKV-GOSISDBHSA-N 379.261 4.885 50 1 GJGF O=C(NCc1ccccc1)O[C@H](CCl)COc1cccc(C(F)(F)F)c1 103188792 YGXHREHUIBMHNW-MRXNPFEDSA-N 387.785 4.618 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCl)c2)N1 587681741 AJOLJJLSRMRJBY-MLCYQJTMSA-N 398.703 4.830 50 1 GJGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587689990 YKLWLBOTQAVTDR-BMLIUANNSA-N 385.708 4.550 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cccc(O[C@@H](C)CBr)c1 587898247 GZWWNYDRRGMYHL-ZDUSSCGKSA-N 379.681 4.911 50 1 GJGF COc1ccccc1C(=O)/C=C/c1ccc(N(CCCl)CCCl)cc1 1857584796 IAZULLVKUSRDPS-DHZHZOJOSA-N 378.299 4.875 50 1 GJGF CCOC(=O)C1=C(Nc2ccc(S(F)(F)(F)(F)F)cc2)SCC1=O 101701239 DHTNSMKCJOAJNP-UHFFFAOYSA-N 389.367 4.847 50 1 GJGF CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OCC 103251817 PYELMLVRNWSOOK-JWRZTOCMSA-N 394.515 4.945 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCl)c2)N1 587681740 AJOLJJLSRMRJBY-MGNBDDOMSA-N 398.703 4.830 50 1 GJGF CC1(C)[C@@H](Br)CC[C@]2(C)OC(=CBr)[C@]3(C)O[C@@H]3C[C@@H]12 2356738914 JHYKYQBUFLQJDA-VOAKKNSGSA-N 394.147 4.759 50 1 GJGF C=C1C[C@H](C(C)=O)[C@H]([C@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@H]1[C@H]2OC(C)=O 2356789954 DXMXOSJSMKRWML-CTYPUASWSA-N 386.532 4.843 50 1 GJGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2)c2ccc(N(C)C)cc2)cc1 5582831 AZBCJHFPGAWQEC-LQMSAZQOSA-N 385.471 4.937 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CC2CC2)N1 587672034 CMQAHCQVTKPHRZ-VFZGTOFNSA-N 391.122 4.513 50 1 GJGF COc1cccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)c1 1860386 VRBJCJNVLXEKKP-SCOAYWHSSA-N 392.886 4.813 50 1 GJGF O=C(Oc1cccc(Br)c1)c1cc2cc(CCl)ccc2oc1=O 13676425 OGRNLFBHSHNZEJ-UHFFFAOYSA-N 393.620 4.514 50 1 GJGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4)ncnc32)cc1 29151505 CJUDGRBWGJRKTQ-GOSISDBHSA-N 381.842 4.558 50 1 GJGF O=C1c2ccc(O)cc2O[C@](CCl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587325066 WKXRGVFHCNRJBP-PBHICJAKSA-N 389.637 4.672 50 1 GJGF COc1cccc(-c2c(C)c(C(=O)OC(C)=O)nc3c2oc2ccccc23)c1 587362805 KVTAQEGIWIQFFL-UHFFFAOYSA-N 375.380 4.668 50 1 GJGF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587686807 XNTICPFVDRHRDP-MGNBDDOMSA-N 398.703 4.959 50 1 GJGF CC[C@]1(CCCBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674159 TYQNEVDHTIDLMK-MEBBXXQBSA-N 393.138 4.903 50 1 GJGF CC(C)[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)CC[C@]12C 2356719649 DDQRJEVPJMWPLK-RKBSHRPMSA-N 387.402 4.760 50 1 GJGF Cc1cc(C)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c([C@H](Cl)C2CCCCC2)c1 13824749 JEIUHLQCZMJKSE-FUHIMQAGSA-N 380.912 4.609 50 1 GJGF in-vitro Cc1ccccc1[C@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1 38145345 KBANKHMAHATEIM-UPPUFSLMSA-N 387.508 4.602 50 1 GJGF O=C(O)c1ccc(/C=N/NC(=O)N2c3ccccc3Sc3ccccc32)cc1 73240336 OKQWOXYYOVREIE-LPYMAVHISA-N 389.436 4.731 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(C=O)=CC[C@H]12)[C@@H](O)C[C@@]3(C)O 2356534570 FOEYJNQZQGLUKQ-FOALTDIFSA-N 386.576 4.845 50 1 GJGF CC1=CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@H](Br)C2 85951467 LKZVLPVFTMUQRT-MXYBEHONSA-N 380.164 4.811 50 1 GJGF biogenic C=C1C[C@H](C(C)=O)[C@H]([C@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@H]1[C@@H]2OC(C)=O 2356789956 DXMXOSJSMKRWML-ZPQCQBRUSA-N 386.532 4.843 50 1 GJGF C[C@H]1C(=O)[C@@H](Br)[C@H](C)[C@@]2(C)C[C@H](Br)[C@]3(C)CC[C@@]132 85772382 DZASHWYZXQVNJH-PBWXBIPYSA-N 378.148 4.565 50 1 GJGF COc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1OC 586973463 KGAUFEBCAURYGB-LLVKDONJSA-N 375.266 4.627 50 1 GJGF Cc1ccc2c3c(c4c(nc13)[C@@H](Br)C(=O)CC4)-c1ccccc1C2=O 586992483 BRFUYIROIIINAJ-SFHVURJKSA-N 392.252 4.706 50 1 GJGF CC(C)[C@]1(O)C[C@H]2C[C@@H]3[C@@H]4[C@](C)(O)CC[C@@H](Br)[C@]4(C)CC[C@]31C2 2356729964 WHLAGUKIUYKHHP-ZLYLBLPFSA-N 385.386 4.514 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586970712 DVYMOTQQHCENRM-QGZVFWFLSA-N 387.277 4.655 50 1 GJGF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587686119 SPMYDLIEOGPEAX-MGNBDDOMSA-N 398.703 4.959 50 1 GJGF N#C/C(C(=O)c1ccc2c(c1)OCO2)=C1\Nc2cc(C(F)(F)F)ccc2S1 13121845 YIKFDRBSSZWTIS-BOPFTXTBSA-N 390.342 4.570 50 3 GJGF O=C(N/N=C/c1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)cc1 299859241 FOTIISQVALRFNA-YDZHTSKRSA-N 375.428 4.866 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCl)cc2)N1 587686569 VWJBDGIHGZMJDG-VOJFVSQTSA-N 398.703 4.829 50 1 GJGF C[C@H](Cl)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543871 MAWBYAXJMVNOSL-RSDPBLMXSA-N 394.854 4.963 50 1 GJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CCl)c1ncccc1F 963203040 JNTOQXNQBNOPDM-GGAORHGYSA-N 391.877 4.826 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCCl)(c1c[nH]c3ccc(C#N)cc13)O2 587377207 VGBODYDGVJLGRS-QFIPXVFZSA-N 393.874 4.810 50 1 GJGF Cn1c(O)cc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587499323 SFJHLCNFIWDVDI-QHCPKHFHSA-N 395.886 4.862 50 1 GJGF O=S(=O)(Nc1ccc(C(F)(F)F)cc1)C1=C(Cl)S[C@@H](Cl)C1 53295632 CLJQMGRQVHTYJL-SECBINFHSA-N 378.224 4.557 50 1 GJGF C[C@]1(Cl)CC[C@@]2(CC(Br)=C[C@@H]3O[C@]32C)C[C@H]1Br 103135656 ZIRXBRVKWMOWIG-KSSYENDESA-N 384.539 4.758 50 1 GJGF O=C(CCC[C@H]1OO[C@H]2CCC[C@@](c3ccccc3)(OO1)O2)c1ccccc1 195190936 CSPBLIGIKIVPGE-FKBYEOEOSA-N 384.428 4.655 50 1 GJGF CSc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587410863 QQISGYAOBAYZIM-GOSISDBHSA-N 392.318 4.555 50 1 GJGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963107325 MGXDGRBJJSHSBJ-WLRWDXFRSA-N 397.733 4.968 50 1 GJGF Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(C)s1 2501747 IRUGBQXZZOVDEA-HXUWFJFHSA-N 393.487 4.809 50 1 GJGF CC1(C)[C@@H](Br)CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@H](CO)[C@@]3(C)CC[C@@H]12 238757408 WVAADOIHOIZUJC-SQYQGHBCSA-N 387.402 4.762 50 1 GJGF N#CC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587340154 UJKDKYUCGBMMIH-UPVQGACJSA-N 399.377 4.586 50 1 GJGF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587549313 ZKHXROZICPSFRX-UGKGYDQZSA-N 396.826 4.843 50 1 GJGF Cc1cccc(Cl)c1NC(=O)NNc1ncnc2sc3c(c12)CCCC3 1857764552 FSMYCTYGSADAER-UHFFFAOYSA-N 387.896 4.681 50 1 GJGF COc1ccc(/C(Cl)=C(\C=O)c2ccc(Br)cc2)cc1OC 1617209 ATTBXMTYAFPUED-VKAVYKQESA-N 381.653 4.772 50 1 GJGF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)CCl)c1C)CC2=O 587461612 RQVXBUPRJCWSJX-NRFANRHFSA-N 389.879 4.592 50 1 GJGF C=C1CCC(C)=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356307249 QFDXYVQLCRYWCQ-OUUBHVDSSA-N 383.370 4.911 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2)N1 587688660 MXIKMKPSOXNVKI-XIKOKIGWSA-N 382.704 4.799 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(F)c2)N1 587727131 AOUKZXOWJPJMEK-QGHHPUGFSA-N 386.667 4.744 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)o1)CC2=O 587456263 LTAPMECHYJEFBH-SFHVURJKSA-N 379.250 4.502 50 1 GJGF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C=NNC(=O)Nc1ccccc1 256111386 QAGIQKFINYERQA-CNKKCCJHSA-N 383.492 4.657 50 1 GJGF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCC(C=O)=C2Cl)N1 587706510 QEYVOUSUPWAGFJ-ZPQPFTAQSA-N 386.692 4.655 50 1 GJGF CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3ccccc3)nc2c1 587187320 DRKCLPCUCPONTL-ZSOIEALJSA-N 396.244 4.566 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@@H]1C[C@H]2CC[C@H]1C2 587546869 YKDRNNGDWVTRFY-BPRFSMEOSA-N 384.859 4.768 50 1 GJGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@H](Br)[C@H]1Cl 2356569908 UELSXBUWEOOWJY-RFGFWPKPSA-N 396.550 4.783 50 1 GJGF Cc1ccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145381 UWKDGDBQBHKQPC-PPCHASGVSA-N 387.508 4.602 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N=[N+]=[N-])cc1)O2 587375852 VLPPEPLPRXTNHY-KRWDZBQOSA-N 387.237 4.775 50 1 GJGF C/C(=N\NC(=O)Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 103283267 IUXXKZNDDDGCKH-HZHRSRAPSA-N 390.399 4.933 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1sccc1Br)O2 587408473 BXCCTQXSLPIVDP-OAHLLOKOSA-N 386.698 4.501 50 1 GJGF O=C(O)CCC/C=C/C[C@@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@@H]2CC[C@@H]1C2 169692173 QAGIQKFINYERQA-IWWJBMMDSA-N 383.492 4.657 50 1 GJGF C[C@H](Cl)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689809 WMWNTWGQNASWPN-SOZUMNATSA-N 382.704 4.993 50 1 GJGF C/C=C/[C@H]1C/C=C/C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)OC(C)=O)O1 169349466 BUAQGGUCIOVTOG-HHWWFANESA-N 389.717 4.659 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1cccs1 587609091 BHUCCYZDZVOUKK-XLIONFOSSA-N 386.856 4.940 50 1 GJGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)=CC=CC(C)(C)O)C[C@]12O 2356544912 INRSPVMHHRRRRE-UMGGQSCQSA-N 383.370 4.911 50 1 GJGF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CC=C(C=O)[C@@H]4C=O)[C@@]3(C)CC[C@H]12 2356619325 BERUNAPIPIALIL-ZMQSBYTGSA-N 386.576 4.968 50 1 GJGF O=C1C[C@@](CCCl)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587496521 DMXLKAQOLYDBBN-QHCPKHFHSA-N 398.886 4.826 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC2)N1 587674407 WLNGCMCXULAPTH-RFAUZJTJSA-N 391.122 4.513 50 1 GJGF N#CC1=COc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503523 VAVREAGOFWPSIY-JOCHJYFZSA-N 377.827 4.879 50 1 GJGF O=C1C[C@@](CBr)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587502003 HRGHLKFYGLAKEP-HXUWFJFHSA-N 389.264 4.960 50 1 GJGF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@]3(C)CC[C@@H]21 2356619323 BERUNAPIPIALIL-FRCNNYAOSA-N 386.576 4.968 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCl)cc1 587543147 JNIYBCCRMVEMTI-KNQAVFIVSA-N 396.826 4.713 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(CCI)cc1 587917788 QOVYINIRRKZSAE-UHFFFAOYSA-N 396.655 4.726 50 1 GJGF CC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538307 OYSGHPPJLVGCGR-BEFAXECRSA-N 391.261 4.534 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587417304 LBWLIIPJTWUVIK-SCLBCKFNSA-N 383.658 4.884 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1)CC2=O 587457391 XXVAMJKTZQFGDK-LJQANCHMSA-N 375.262 4.600 50 1 GJGF COc1ccc(CSSCCC[S@@](=O)Cc2ccc(OC)cc2)cc1 84567106 UBWUUPLFNYRRIL-VWLOTQADSA-N 396.599 4.924 50 1 GJGF [C-]#[N+]C(C)(C)[C@@H]1CC[C@](C)([C@H]2CCC(=C)[C@H]3CC[C@@](C)(O)[C@@H](N=C=S)[C@@H]32)O1 238767094 BXMRJMKBQXYFMX-VFJSLWSUSA-N 388.577 4.837 50 1 GJGF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C=NNC(=O)Nc1ccccc1 256111388 QAGIQKFINYERQA-MUIKISKISA-N 383.492 4.657 50 1 GJGF in-vitro CC[C@@H](C)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641778 WMNPGKNQYACTIK-LJQCHSNASA-N 377.532 4.736 50 1 GJGF CC(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321591 KEYOBNQPPHPIAG-IEBWSBKVSA-N 393.252 4.680 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)Cl)cc2)N1 587682010 MCFDOVSKOKITIS-FVMDXXJSSA-N 382.660 4.591 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccs1)CC2=O 587494980 OMVANEKVXSXBEN-QGZVFWFLSA-N 381.291 4.662 50 1 GJGF C[C@]1(c2cccc(NC(=O)CCl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587497596 JHMAAVAGYKKWBE-JOCHJYFZSA-N 383.875 4.623 50 1 GJGF CC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538310 OYSGHPPJLVGCGR-KXBFYZLASA-N 391.261 4.534 50 1 GJGF CCCNc1nc(SCC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 13682739 GQEBJZBXGMJVOU-OAHLLOKOSA-N 375.929 4.740 50 1 GJGF CCc1nc2ccc(O)c3c2c(c1CCBr)-c1ccccc1C3=O 586985180 RXRDDRWLOGSSTR-UHFFFAOYSA-N 382.257 4.652 50 1 GJGF CC(C)(C)N(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1Cl 653907653 YKEAXDGNVJGRDC-UHFFFAOYSA-N 398.812 4.945 50 1 GJGF CCCCCCCCCSC(=S)NNC(=O)c1ccc(N(C)C)cc1 43411460 TZYZHJUCPFGBQS-UHFFFAOYSA-N 381.611 4.756 50 1 GJGF C[C@]12CC[C@@H]3c4ccc(OCCBr)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 196698191 IICIUJNVCXKKTI-SLHNCBLASA-N 379.338 4.677 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)C(C)C)O2 587372069 HEJYFQSHMOTFQU-WOJBJXKFSA-N 388.305 4.857 50 1 GJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2[nH]c(C)c(C(C)=O)c2C)N1 962963736 ZTAFXEDRZSQKGC-OYHNWAKOSA-N 383.923 4.722 50 1 GJGF C=C(c1ccc2ccccc2c1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 43524096 STURMUXSIYGTAL-LETIRJCYSA-N 394.467 4.960 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cnc2[nH]1 586973498 KNYIULFQHZJNKE-VIFPVBQESA-N 395.098 4.767 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1Cl)O2 587384147 BEMHGAHCBOLTMN-KRWDZBQOSA-N 398.659 4.625 50 1 GJGF C/C=C/[C@H]1C/C=C/C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)OC(C)=O)O1 169349780 BUAQGGUCIOVTOG-MWVFTDEKSA-N 389.717 4.659 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587087158 MKJJHBBPBCJXAN-MRVPVSSYSA-N 390.125 4.796 50 1 GJGF CC(C)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321616 KEYOBNQPPHPIAG-PKOBYXMFSA-N 393.252 4.680 50 1 GJGF Cc1ccc(C(=NNC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 2356317964 GFYVBVSIXVGLLK-UHFFFAOYSA-N 393.284 4.940 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)[C@@H](O)C[C@H]21 5496662 RZKMKRDUWZVLSO-MQHLBGOHSA-N 386.576 4.967 50 1 GJGF C=C[C@](Br)(CBr)CC[C@@H](Br)C(C)C 1856052 LRJPUDKMTFONPR-NXEZZACHSA-N 376.958 4.901 50 1 GJGF CC[C@@]1(CCCBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674157 TYQNEVDHTIDLMK-BMIGLBTASA-N 393.138 4.903 50 1 GJGF CCSc1nc(N(CC)CC)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 40847190 FVETURAWYVQOMQ-MRXNPFEDSA-N 389.956 4.765 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](C)Br)N1 587671939 VXOZPCAFUFXVKP-KEMUVXCRSA-N 391.122 4.511 50 1 GJGF C[C@@H]1CC[C@@]2(c3ccsc3CCN2Cc2cccn2C)[C@@H](Br)C1 962378649 ZAXLCQSEVZPMNX-MDASCCDHSA-N 393.394 4.924 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586971658 VMYFMKDKWCAHLU-INIZCTEOSA-N 390.281 4.798 50 1 GJGF C[C@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 587007668 CHWJDMQXVFYDGK-BYPYZUCNSA-N 382.881 4.544 50 1 GJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 587326685 MOOXXCYUDWFVNT-UNMCSNQZSA-N 398.817 4.730 50 1 GJGF Cc1csc([C@@H](C#N)[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535686 NPOLZHNCGFSHHS-UZLBHIALSA-N 386.904 4.581 50 1 GJGF C=C(C)[C@H](CC[C@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@@H]2C[C@@H]21)OO 2356653170 FAXDRDJWQDFFGZ-GVUKCBQMSA-N 380.525 4.656 50 1 GJGF COc1cc2c3c(c1)O[C@](CSC#N)(c1cccc4ccccc14)[C@@H](C2)C3=O 587452281 NXUAWDBOSWGREO-WMZHIEFXSA-N 387.460 4.706 50 1 GJGF O=C(NN=C(c1ccccc1)c1ccccc1Br)c1ccccc1 2356318061 OBPXASLLGKXURA-UHFFFAOYSA-N 379.257 4.632 50 1 GJGF N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(Cl)cc1 1659254 WURHFSXAVRLWIS-LJQANCHMSA-N 393.830 4.803 50 1 GJGF CC(=O)[C@@H](Br)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993037 HKNZCGVWPUWMSB-GOSISDBHSA-N 380.241 4.780 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105421 TYYWFMKZJVXBKU-LNLYYEQMSA-N 386.488 4.510 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@H]2Cl)[C@@H]1c1ccc(F)cc1 587329279 LAAHMYDMWXVKFS-XPNTWCBSSA-N 394.829 4.949 50 1 GJGF COc1ccc(Cl)cc1C#CCc1ccc(C(=O)CBr)cc1 587897954 BNLVVWSEESOJIT-UHFFFAOYSA-N 377.665 4.520 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](C)Cl)O2 587370666 HHBOWOJTPKZMFP-ADLMAVQZSA-N 394.696 4.828 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3ccco3)c1C)O2 587373503 RFIWTMMNBHEYLZ-JOCHJYFZSA-N 398.890 4.736 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCl)cc2)N1 587687001 YKECLGNTVCSIDZ-ZMZPIMSZSA-N 398.703 4.829 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(Cl)c1)O2 587383093 XJPGPWJPSKRSKD-QGZVFWFLSA-N 398.659 4.625 50 1 GJGF CCN(C)C(=O)Oc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1 1857745487 IJIZELZKMWGYRB-MRXNPFEDSA-N 382.551 4.790 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](CBr)C3 586983733 BTVKQDYMLMIUCE-NSHDSACASA-N 394.268 4.652 50 1 GJGF C[C@]1(c2ccc(N=C=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339658 SJVMJVLGUHLEJI-FYYLOGMGSA-N 389.382 4.773 50 1 GJGF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587686808 XNTICPFVDRHRDP-MLCYQJTMSA-N 398.703 4.959 50 1 GJGF O=c1cc(CCBr)c2ccc(OCc3cccc(Cl)c3)cc2o1 165413317 ZRULJRGYWFCNPY-UHFFFAOYSA-N 393.664 4.963 50 1 GJGF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ncccc13)([C@@H](C)Cl)CC2=O 587459321 OEYGXZCGAQLLAW-GTJPDFRWSA-N 384.863 4.709 50 1 GJGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587495008 BEWSGPSZFAOJAW-QHCPKHFHSA-N 393.870 4.981 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587188176 PKDHHVOTQTVIOG-FOWTUZBSSA-N 389.414 4.711 50 1 GJGF COc1ccc(-c2nnc(NC(=O)N/N=C/C/C(C)=C\CC=C(C)C)o2)cc1 95581266 YKXWJUZDBMKDAE-RKCQPDCJSA-N 383.452 4.545 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(C)(C)C)N1 587673699 PMDHGTNKSLBLON-BJOHPYRUSA-N 393.138 4.759 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587683316 GNHDGCULGWGALA-KPZWWZAWSA-N 382.704 4.913 50 1 GJGF CCCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccc(F)cc1 40847184 KAENOIXEDCUPLY-HNNXBMFYSA-N 393.919 4.879 50 1 GJGF Cc1cccc2c1[C@H]([C@H](Cl)C(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863286 SEWILACRTGXQRN-ATZDWAIDSA-N 395.927 4.936 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1F 587567659 IOXOCZBFXAPCOK-UGKGYDQZSA-N 398.817 4.713 50 1 GJGF Cc1cc2c(cc1F)[C@@](CCBr)(c1ccc3c(c1)CCC3)NCC2 962144423 KTEOPHAYOFMDSR-OAQYLSRUSA-N 388.324 4.797 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3[nH]c(O)cc3c1)CC2=O 587461149 PSHSHHQGEFNZQZ-OAQYLSRUSA-N 385.847 4.631 50 1 GJGF COc1ccc(C=CC(=O)C2=C(C=O)[C@H](C=O)[C@]3(C)CCCC(C)(C)[C@@H]3C2)cc1 2356400527 BJIKCZAVEKVMKG-RSEQLOHWSA-N 394.511 4.824 50 1 GJGF CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCC(=O)O)OO 535385364 NZGFEPPUQFZWCS-DJNHXDDZSA-N 393.524 4.801 50 1 GJGF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccccc2)N1 587687097 YTBQCUYWSRUIFS-KPZWWZAWSA-N 382.704 4.995 50 1 GJGF COc1ccc(/C=N/NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 103198824 KETQYQDWCQUQDN-JZCUADNKSA-N 376.431 4.755 50 1 GJGF Cc1cc2c(cc1F)[C@](CCl)([C@@H](C#N)c1nc3ccccc3s1)NCC2 962088110 COWCLJBPHQYRLW-MGPUTAFESA-N 385.895 4.631 50 1 GJGF CC(C)[C@@H](Cl)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955581 MSGNXWWGOOFPEB-IAGOWNOFSA-N 375.862 4.835 50 1 GJGF COc1cccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 1857583885 IRBUCUZGPIGIAK-AFUMVMLFSA-N 398.466 4.619 50 1 GJGF O=c1c2cc3ccccc3cc2oc2cc(OCCCBr)cc(O)c12 40918651 VAWCTEGYUJHLRK-UHFFFAOYSA-N 399.240 4.969 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc3ccccc3o1)O2 587375111 QZKUICWRVQTXSE-IBGZPJMESA-N 386.245 4.579 50 1 GJGF COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686987 YFVJCWRPUBNTHZ-VOJFVSQTSA-N 398.703 4.613 50 1 GJGF C[C@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319219 ASRZUOSXKMBUGM-PKOBYXMFSA-N 393.252 4.824 50 1 GJGF COc1ccc2c(c1)[C@](CBr)(c1ccccc1C)N(C(C)C)CC2 962090899 JJQBHVVMOZZZIQ-NRFANRHFSA-N 388.349 4.909 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(C=O)=CC[C@H]12)[C@H](O)C[C@]3(C)O 2356534573 FOEYJNQZQGLUKQ-HKOWCYPHSA-N 386.576 4.845 50 1 GJGF CC(=N)/C(C#N)=C(\O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 103110141 SSPKLOFTNFMKQG-GZAZALDTSA-N 381.505 4.782 50 1 GJGF COc1ccc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)c(OC)c1 963088612 FZDZKZVCBLTOPP-JKXTWKSPSA-N 389.898 4.734 50 1 GJGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 95808682 LXSIYPXEHCQBQE-HYARGMPZSA-N 390.867 4.564 50 1 GJGF C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(N=C)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 238745631 QOEVUIRXHICMBB-JVKCDKLRSA-N 397.003 4.657 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587322639 HULZOKUGRCZWAD-SCTDSRPQSA-N 391.236 4.576 50 1 GJGF O=c1c2ccccc2oc2cc(OC[C@H](Cl)CSCCCl)cc(O)c12 71294322 YGRAMPWCRQUEQK-NSHDSACASA-N 399.295 4.610 50 1 GJGF O=C(N/N=C(\C=C\c1ccccc1)c1ccccc1O)Nc1ccc(F)cc1 103212226 ARMRQFUNPQZEBQ-BJTNWVBWSA-N 375.403 4.771 50 1 GJGF COc1cc2c3c(c1)O[C@@](CBr)(CCC1CCCC1)[C@@H](C2)C3=O 587414844 OVGHVQGLHXAPNR-HNAYVOBHSA-N 379.294 4.547 50 1 GJGF C[C@H](SC#N)[C@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817725 OMVPLFISNVPFLL-NYHFZMIOSA-N 377.513 4.711 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(Cl)c1)O2 587383092 XJPGPWJPSKRSKD-KRWDZBQOSA-N 398.659 4.625 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@H]2Cl 587701043 ADEGDEKQHHXFGA-AQQIJUCISA-N 380.688 4.530 50 1 GJGF CCSc1nc(N2CCCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 26502567 RRTHVEDISUQAOJ-INIZCTEOSA-N 387.940 4.519 50 1 GJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686988 YFVJCWRPUBNTHZ-ZMZPIMSZSA-N 398.703 4.613 50 1 GJGF C=C(C)[C@H](CC[C@@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 253665606 FAXDRDJWQDFFGZ-LLTZGFESSA-N 380.525 4.656 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587417378 MBUISXXSMJHQDQ-KPZWWZAWSA-N 383.658 4.884 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(F)c2)N1 587727130 AOUKZXOWJPJMEK-DYZYQPBXSA-N 386.667 4.744 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@H](C)Br)O2 587372099 HJWCZHXOGLWMMB-BBATYDOGSA-N 394.696 4.875 50 1 GJGF c1csc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1 44137982 JGDXPKMAGXAYJO-UHFFFAOYSA-N 376.522 4.572 50 1 GJGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 85911663 HWLRIFRIRNSGBG-ZGLZSDFPSA-N 398.499 4.596 50 1 GJGF in-man C=C[C@@](C)(O)CC[C@@H](Br)[C@]1(C)CC[C@@H](Br)C(C)(C)O1 86050442 HETKQJWBRYLJQV-GBOPCIDUSA-N 398.179 4.578 50 1 GJGF COC(=O)c1cc2nc([C@H](Cl)CCl)[nH]c2c(F)c1Nc1ccccc1 587008312 NQEMGRXRQJJWKH-LLVKDONJSA-N 382.222 4.751 50 1 GJGF CC(C)(NC(=O)CCl)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587009513 JBPOQHZQNHQQPJ-UHFFFAOYSA-N 377.766 4.810 50 1 GJGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)C(=C(C)C=CC=O)[C@@]3(C)CC[C@H]2C1(C)C 2356809883 ATXVBBVHLSEAQK-ULSZTJCNSA-N 386.532 4.821 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)c(F)cc1Cl)[C@@H](C2)C3=O 587421842 AVMYKSHZSKATLJ-DJJJIMSYSA-N 381.230 4.678 50 1 GJGF C[C@H](Br)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 73197326 QVLYFXWCFAZOOV-QNCMIEPLSA-N 392.680 4.958 50 1 GJGF CC1=C[C@]2(C=C(C=O)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C/C(C)C)C1 238783858 YRIGGXDSFBAFBS-WDALNPMVSA-N 398.543 4.818 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586973428 JXLKLJFFGGMBMQ-VIFPVBQESA-N 378.201 4.657 50 1 GJGF CCOC(=O)[C@H](Cl)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586992379 ARHNRPVPVQLVCB-GOSISDBHSA-N 379.843 4.906 50 1 GJGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(SC#N)cc1 587869115 BWVDUMKXFYRFKU-UHFFFAOYSA-N 376.363 4.535 50 1 GJGF Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(O)c(C(=O)O)c4)o3)nc2c1 5322871 YDVNJBSLEARQPA-NTEUORMPSA-N 385.379 4.599 50 1 GJGF Cc1cccc([C@@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccc(N)cc3)c2)c1 38145380 CJNSUWHHNMFCAP-HOGKFDNTSA-N 387.508 4.602 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1cccs1 587609093 BHUCCYZDZVOUKK-YLJYHZDGSA-N 386.856 4.940 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](OC(C)(C)C)[C@@H]2Cl)N1 587706477 QBOFSYLDKHTMHO-MBNJKAGVSA-N 390.724 4.513 50 1 GJGF CC1=C[C@]2(C=C(C=O)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O[C@H](/C=C(/C)C/C=C\C(C)C)C1 238783850 YRIGGXDSFBAFBS-BCPJEKGPSA-N 398.543 4.818 50 1 GJGF COc1cc2c3c(c1)O[C@@](c1c(C)[nH]c4ccccc14)([C@@H](C)Cl)[C@@H](C2)C3=O 587417871 QDNRPEXQENPFPW-KGFDFFDMSA-N 381.859 4.755 50 1 GJGF COc1ccc([C@@]2(CCl)NCCc3cc(C)c(F)cc32)cc1Br 962092871 NSDVAILDZCYCMB-GOSISDBHSA-N 398.703 4.533 50 1 GJGF CC1(C)O[C@](C)([C@@H]2CC[C@@](C)(C#N)[C@@H]3CC[C@](C)(O)[C@@H](C#N)[C@H]23)CC[C@@H]1Cl 2356650887 UYWJZBDANPVSDN-BUBJXFRPSA-N 392.971 4.798 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2[C@H]1NCCc2c(C(=O)O)cccc21 963120243 FOIOHCMHECZUEE-XARGGIHNSA-N 381.516 4.549 50 1 GJGF Cc1cccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 1857577964 JWWOQXLNOQHEMV-AFUMVMLFSA-N 382.467 4.919 50 1 GJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCCc5ccccc5)CC[C@@H]1[C@]23OO4 169371787 CAOLQOIBDULJTG-YFVCOXNXSA-N 386.488 4.542 50 1 GJGF Cc1ccc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)cc1 13647766 GVLARYLQUJSMTB-HEHNFIMWSA-N 385.496 4.850 50 1 GJGF C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)C1 95580759 HUPAVKNUDHXCCW-TYIKUYDASA-N 385.855 4.800 50 1 GJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 101286117 CAOLQOIBDULJTG-IDERAPFOSA-N 386.488 4.542 50 1 GJGF C[C@H](Br)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669828 GAZIKIWVCQCUNT-CEFVDNRUSA-N 391.122 4.511 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CCl)c2)N1 587681742 AJOLJJLSRMRJBY-XTZNXHDOSA-N 398.703 4.830 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(F)c2)N1 587734259 UTHCRIMWAMEBDD-BTDLBPIBSA-N 386.667 4.744 50 1 GJGF CCOP(=O)(OCC)/C(C#N)=C(\Nc1ccc(OC)cc1)C(F)(F)F 82053246 YCWVKTHQMCZKQE-YPKPFQOOSA-N 378.287 4.671 50 1 GJGF Cc1cc2c(cc1F)[C@@](CCl)([C@@H](C#N)c1nc3ccccc3s1)NCC2 962088116 COWCLJBPHQYRLW-YWZLYKJASA-N 385.895 4.631 50 1 GJGF C=C(C)[C@H](CC[C@@]1(C)CC/C(C)=C/[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 44431245 FAXDRDJWQDFFGZ-PJXKHTFOSA-N 380.525 4.656 50 1 GJGF Nc1cc(Br)ccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CCl 587644519 YTWMAQKMFIMJMX-UHFFFAOYSA-N 380.629 4.827 50 1 GJGF Cc1cccc2c1[C@@H]([C@@H](Cl)C(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863289 SEWILACRTGXQRN-MNEFBYGVSA-N 395.927 4.936 50 1 GJGF C/C=C/[C@@H]1CC=CC[C@H](Cl)[C@H](C[C@H](C=C=CBr)OC(C)=O)O1 238738021 BUAQGGUCIOVTOG-NXFRTDSMSA-N 389.717 4.659 50 1 GJGF C=C(C)[C@H](CC[C@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@H]21)OO 2356653172 FAXDRDJWQDFFGZ-WVYKEMLSSA-N 380.525 4.656 50 1 GJGF [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(=C)C)O1 137976389 JMPLJBUCBCCDJE-WQAUDIEISA-N 388.577 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COc1ccc(/C=C/C(=O)SSC(=O)/C=C/c2ccc(OC)cc2)cc1 473117956 JECWTCZKSSSWEB-FNCQTZNRSA-N 386.494 4.865 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CC2CC2)N1 587672032 CMQAHCQVTKPHRZ-RFAUZJTJSA-N 391.122 4.513 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(F)cc2)N1 587735426 PTEUNOUSJDBFEH-QGHHPUGFSA-N 386.667 4.744 50 1 GJGF CC(C)[C@H]1CC[C@H]2[C@H](O)[C@H]3[C@@](C)(O)CC[C@@H](Br)[C@]3(C)CC[C@]12C 238742897 DDQRJEVPJMWPLK-FWMLDDLOSA-N 387.402 4.760 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(C)C)cc1)O2 587372011 GZWDNGQIPWHGCV-HXUWFJFHSA-N 388.305 4.956 50 1 GJGF ClCCNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 6716361 NPLZGCKBBUBACR-UHFFFAOYSA-N 377.673 4.787 50 1 GJGF CC(C)C[C@@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949004 CILCQKYXNAICSP-SFHVURJKSA-N 375.862 4.837 50 1 GJGF C[C@]1(Cl)CC[C@]2(CC(Br)=C[C@@H]3O[C@]32C)C[C@H]1Br 103135658 ZIRXBRVKWMOWIG-SJHCENCUSA-N 384.539 4.758 50 1 GJGF N#CC1=C2CC[C@@H](c3ccccc3)C[C@@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N 169689983 AULTWENYRWMLBI-PIPMEXSNSA-N 377.451 4.636 50 1 GJGF C[C@@H](SC#N)[C@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817727 OMVPLFISNVPFLL-QRQCRPRQSA-N 377.513 4.711 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(F)cc1 587570807 LYYMISAQTONROT-GHTZIAJQSA-N 384.790 4.627 50 1 GJGF CC[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671412 RRWZNXSVZWXCTO-TVLCNXBWSA-N 379.111 4.511 50 1 GJGF CCOC(=O)NCCCC(=O)Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1 1857544736 YSTLVZZQPJGFMY-UHFFFAOYSA-N 380.561 4.535 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3cc(OC)ccc13)CC2=O 587459176 GQGYRWOMUAPZIK-QFIPXVFZSA-N 399.874 4.934 50 1 GJGF COc1ccc(CCc2nnc(CCCC[C@H]3CCSS3)o2)cc1OC 28823692 FIZRLFHEMZVVOV-HNNXBMFYSA-N 394.562 4.739 50 1 GJGF C[C@]12CC[C@H]3[C@@H](CC=C(C#N)[C@]3(C)CC#N)[C@@H]1CC[C@@]2(O)Cc1ccccn1 299858237 DLZIWELUEMEBGP-LFRJMLHLSA-N 375.516 4.571 50 1 GJGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1CCBr)CC2=O 587455424 CBOLZRPSTWZFPI-LJQANCHMSA-N 389.289 4.989 50 1 GJGF C[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)CCl)[C@@H]1c1ccc(Cl)cc1 169352118 NZMAWDRECONYOL-ZINOCKGTSA-N 394.273 4.938 50 1 GJGF COC(=O)/C=C(/C)CC/C=C(/C)CC/C=C(/C=O)CC/C=C(\C)C(=O)OC 238744956 MMMCAOLHVYXGGY-FZVYFURGSA-N 376.493 4.637 50 1 GJGF O=C(c1coc2ccc(Cl)cc12)[C@H](Br)CCBr 587276765 VENRAHOPNXMNMY-SNVBAGLBSA-N 380.463 4.817 50 1 GJGF CCOc1ccc(/C=N/NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OCC 1857754398 YEAWZSFKPDOCOG-KOEQRZSOSA-N 396.531 4.864 50 1 GJGF COc1ccc(CSSCCC[S@](=O)Cc2ccc(OC)cc2)cc1 84567110 UBWUUPLFNYRRIL-RUZDIDTESA-N 396.599 4.924 50 1 GJGF C[C@H](Br)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671940 VXOZPCAFUFXVKP-OLBFVZFUSA-N 391.122 4.511 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(O)nc(CCl)n2)cc1 587906501 IFPNYVRNEBRRLK-UHFFFAOYSA-N 385.250 4.650 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2c(Cl)cc(Cl)cc21 587378186 ALEAGODFMCFEHD-LJQANCHMSA-N 387.222 4.545 50 1 GJGF O=C1C[C@@](CBr)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587499837 PMNSNYFEBDZKAA-HXUWFJFHSA-N 387.273 4.527 50 1 GJGF COc1cc(SC#N)ccc1/N=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O 18008677 CXLHIAOVSOXFBS-LSHDLFTRSA-N 398.875 4.872 50 1 GJGF CCCCNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641564 SSGSLEDIMNIIMN-UHFFFAOYSA-N 377.532 4.737 50 1 GJGF COc1ccc(/C=N/NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 40900427 QJFBDTNPJJIGKW-CIAFOILYSA-N 376.441 4.614 50 1 GJGF CC1(C)C[C@@H](Br)C[C@](C)(O)[C@@]12C=C/C(=C/Br)CC2 38424552 AAUMBOCDCYMWBT-OVYJPMDHSA-N 378.148 4.936 50 1 GJGF C=CCC[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673148 KXGGBAGVBQBRIP-ZUZCIYMTSA-N 391.122 4.679 50 1 GJGF O=S(=O)(Nc1ccc(C(F)(F)F)cc1)C1=C(Cl)S[C@H](Cl)C1 53295629 CLJQMGRQVHTYJL-VIFPVBQESA-N 378.224 4.557 50 1 GJGF C[C@H](C(=O)NNC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 103198664 XDZCPDCOOXYDJG-HNNXBMFYSA-N 393.487 4.614 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1F 587567658 IOXOCZBFXAPCOK-SIKLNZKXSA-N 398.817 4.713 50 1 GJGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(CBr)c(F)c1 963110096 ZYXZQVFWCFSGSJ-VQIMIIECSA-N 378.260 4.970 50 1 GJGF BrCC[C@H]1CCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961327812 VIZOBXZWVKZARJ-DYVFJYSZSA-N 399.170 4.908 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2C[C@@H](O)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@H]21 238739527 RZKMKRDUWZVLSO-JJKCEECNSA-N 386.576 4.967 50 1 GJGF C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497278 IPDAUYQIXUUMDO-PSLXWICFSA-N 398.886 4.681 50 1 GJGF CC=C[C@@H]1CC=CC[C@H](Cl)[C@@H](C[C@@H](C=C=CBr)OC(C)=O)O1 2356579647 BUAQGGUCIOVTOG-CLYXMZAXSA-N 389.717 4.659 50 1 GJGF CCCCCC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 13833443 GESMIQQUZAOQDU-UHFFFAOYSA-N 387.867 4.773 50 1 GJGF COc1ccc(N/N=C(Cl)/C(C)=N/NC(=O)c2oc3ccccc3c2C)cc1 49768049 MINMXIFKSODEHO-CVKFNTFSSA-N 398.850 4.520 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682518 CPEZLBJDDHGXML-KZULUSFZSA-N 382.704 4.913 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(CBr)C3(C)C)O2 587378135 RZFMLHQNPSOQOQ-DPMMWBKBSA-N 378.310 4.502 50 1 GJGF Cc1cc(CCl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878701 PZSZNKXQSPSZRC-UHFFFAOYSA-N 380.702 4.751 50 1 GJGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1C 962397676 LBASXXRYVHWBOR-NRFANRHFSA-N 387.980 4.583 50 1 GJGF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587686127 SPMYDLIEOGPEAX-YPMLDQLKSA-N 398.703 4.959 50 1 GJGF CC[C@H](/C=C/[C@H]1[C@H](/C=C/CCCCCCCCC(=O)OC)[C@H]2C[C@H]1OO2)OO 261523535 SGTSZTLPOBUMKG-SENYBHHYSA-N 396.524 4.996 50 1 GJGF in-vitro O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 587326684 MOOXXCYUDWFVNT-RBBKRZOGSA-N 398.817 4.730 50 1 GJGF Cc1ccc(N=C=S)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587896471 NJMIYMYFICJZOM-UHFFFAOYSA-N 389.307 4.747 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(S)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101677790 LINGPSROUZEEPP-DLJUDYGDSA-N 392.517 4.562 50 1 GJGF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118932708 TYGOPZFZKJSWFJ-CUFXOJJYSA-N 396.575 4.897 50 1 GJGF O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2nc1-c1ccccc1 40915479 COEDULWHZIVSCN-ZVHZXABRSA-N 386.842 4.714 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C/C=C(/C)[C@H](O)CBr 86020392 ZDLGZFBKBCSKKQ-GEMYPJNZSA-N 380.164 4.835 50 1 GJGF CC(C)c1cc2c3c(c1OC(=O)CCl)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 49088104 AAEUQVNIVFLJQI-OYHNWAKOSA-N 390.907 4.884 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(C)[nH]c3ccccc13)O2 587374728 PSFUWAQYRYKZOJ-FQEVSTJZSA-N 399.288 4.623 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CCCCl 587879660 YUTLEWMKUAIVEJ-UHFFFAOYSA-N 394.729 4.875 50 1 GJGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3)[nH]c12 299828575 NYOXXVCJWLXNSL-ZMOGYAJESA-N 388.858 4.956 50 1 GJGF CC[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 587671410 RRWZNXSVZWXCTO-ATEUNZGCSA-N 379.111 4.511 50 1 GJGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 2356663571 MFXMPUIXRGTKOU-GVXSCFBNSA-N 398.543 4.804 50 1 GJGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(O)c1 14507480 HWLRIFRIRNSGBG-YFUBCIJXSA-N 398.499 4.596 50 1 GJGF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@](CCCBr)(c1ccc(F)cc1)O2 587384834 PLCHQMMTACKZLO-LJQANCHMSA-N 392.268 4.752 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)c(F)cc1Cl)[C@@H](C2)C3=O 587421851 AVMYKSHZSKATLJ-ORAYPTAESA-N 381.230 4.678 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccs1)CC2=O 587494976 OMVANEKVXSXBEN-KRWDZBQOSA-N 381.291 4.662 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccsc1)CC2=O 587498137 YXVLUUAUOWGGBU-KRWDZBQOSA-N 381.291 4.662 50 1 GJGF COc1cc2c(cc1OC)[C@](CCl)(c1cccc(Cl)c1)N(C)[C@H](C)C2 962635116 QSUKGOIYKFLNQW-XCLFUZPHSA-N 380.315 4.716 50 1 GJGF O=C([C@@H]1Cc2ccccc2[C@@H](CCCCCCBr)N1)C(F)(F)F 962730095 LQIJQQVXEQAPSD-CABCVRRESA-N 392.259 4.719 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43888236 HTCCMQZWVBEPQU-MAWUFDTGSA-N 392.467 4.550 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(F)ccc1Cl)O2 587387058 ZOEGCPCRHCVGBT-KRWDZBQOSA-N 398.659 4.625 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)Cl)cc2)N1 587682016 MCFDOVSKOKITIS-XXFAHNHDSA-N 382.660 4.591 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CCl)c2)N1 587685264 PAGSXBUUPCNXIR-XTZNXHDOSA-N 398.703 4.830 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](OC(C)(C)C)[C@@H]2Cl)N1 587706914 SOHHSSHGHCRNRV-HNOLUEMASA-N 390.724 4.513 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@H]2Cl 587547018 KQZCNZMAUQBAJV-ZRCGQRJVSA-N 392.838 4.803 50 1 GJGF CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3ccccc3)nc2c1 587187317 DRKCLPCUCPONTL-RIYZIHGNSA-N 396.244 4.566 50 1 GJGF C[C@]1(c2ccc(N=C=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339672 SJVMJVLGUHLEJI-JTHBVZDNSA-N 389.382 4.773 50 1 GJGF CC[C@H](c1ccc(O)cc1)[C@@H](CI)c1ccc(O)cc1 5925934 BTKKPGVOGPPAAQ-SJORKVTESA-N 382.241 4.810 50 1 GJGF CCCC[C@@H](Br)C(=O)/C(Br)=C(/Cl)Br 149657626 NMYLZTSOXQKMNR-JVMJCINISA-N 397.332 4.707 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)ccc2O)N1 587686064 SIMGZVNSJHAUMU-XYZCENFISA-N 384.676 4.656 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(C)=O)cs1)CC2=O 587493354 GFDMXRBBQKCDLT-IBGZPJMESA-N 378.877 4.708 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccccc1 587544235 NGJHRHKKWIUWEK-SIKLNZKXSA-N 380.827 4.878 50 1 GJGF Cc1cc(=O)oc2c(C)c3oc(CBr)c(Br)c3cc12 1644307 CIGORHUILUXPDJ-UHFFFAOYSA-N 386.039 4.813 50 1 GJGF N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1857617061 STGUYDBOODQBDF-GOSISDBHSA-N 377.787 4.620 50 1 GJGF Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@H]3c1ccc(Br)cc1 103186041 ATJLSBBCNIGCKK-KRWDZBQOSA-N 392.256 4.524 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CC2CC2)N1 587672031 CMQAHCQVTKPHRZ-PSLIRLAXSA-N 391.122 4.513 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 72170769 IPEWKPDVRIFZHI-RZDNYABWSA-N 388.891 4.699 50 1 GJGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196275 BGICFTAPNXGQBD-JKSUJKDBSA-N 375.280 4.872 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1sccc1Br)O2 587408471 BXCCTQXSLPIVDP-HNNXBMFYSA-N 386.698 4.501 50 1 GJGF COc1ccc([C@]2(CSC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533816 WGJMGEFUBHCXDC-JOCHJYFZSA-N 379.481 4.649 50 1 GJGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(F)c(F)c3)(C(F)(F)F)C2)cc1 1772637505 AWWSGNFCIJZZER-LJQANCHMSA-N 392.327 4.528 50 1 GJGF C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CCCCl)c1ccnc2ccccc12 34928717 AUVHRCCPLYQZIF-GZSQKZNCSA-N 398.934 4.735 50 1 GJGF COc1cc(/C(=C\C#N)c2csc(-c3ccccc3)n2)cc(OC)c1OC 72118633 KVKAILJMXXIFRR-CXUHLZMHSA-N 378.453 4.791 50 1 GJGF O=C1c2ccc(O)cc2O[C@](CCl)(CCCCl)[C@H]1c1ccc(F)cc1 587329583 YNGADFNUECSXSB-HKUYNNGSSA-N 383.246 4.887 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(OCCBr)c1 587916155 DHWUSGNGYJXSOR-UHFFFAOYSA-N 383.644 4.661 50 1 GJGF COc1cccc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CBr)c1 253650677 IDANHJVNMORBOH-ZCNNSNEGSA-N 389.289 4.672 50 1 GJGF C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(-n2c(C)ccc2C)cc1 103238069 MCKKPEBGKFBGKG-JJIBRWJFSA-N 395.890 4.667 50 1 GJGF CC[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322496 MUEFAGDQJGSTFJ-WOVYWWTOSA-N 393.252 4.822 50 1 GJGF O=C1c2ccc(O)cc2O[C@@](CCl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587325071 WKXRGVFHCNRJBP-WMLDXEAASA-N 389.637 4.672 50 1 GJGF C[C@@]1(c2ccc(O)c(CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542016 HFKFQLGTFUBCPV-UGKGYDQZSA-N 396.826 4.714 50 1 GJGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587542238 GIBIJTNBKDOBSV-KNQAVFIVSA-N 380.827 4.797 50 1 GJGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)c1C 963103617 LTXFNUCFKZWBKF-JIGPKXGUSA-N 388.914 4.865 50 1 GJGF CC(C)[C@@H]1CC[C@@H]2[C@H](O)[C@H]3[C@](C)(CC[C@@]12C)[C@@H](Br)CC[C@@]3(C)O 2356719648 DDQRJEVPJMWPLK-RAAXHIGGSA-N 387.402 4.760 50 1 GJGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103196296 HSWKUDSZJZUSAQ-CVEARBPZSA-N 375.280 4.872 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2c(Br)cnc(Cl)c2[nH]1 587086868 HYQQIPSSZQXSLZ-SSDOTTSWSA-N 385.462 4.558 50 1 GJGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1 29136001 GGWGFVATPFHJOU-KRWDZBQOSA-N 399.832 4.697 50 1 GJGF FC(F)(F)Oc1cc(Br)cc2nc(/C=C/CBr)[nH]c12 586974381 VZDCMOJRNYOEJP-OWOJBTEDSA-N 399.992 4.632 50 1 GJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(F)cc1 1772577285 MMVBABLKLWKZPY-ZRZAMGCNSA-N 387.458 4.778 50 1 GJGF O=C(c1cc2cc(F)cc(F)c2[nH]1)N1C[C@H](CCl)c2c1ccc1[nH]ccc21 96913710 QYDNIHGOZQJQQX-NSHDSACASA-N 385.801 4.910 50 1 GJGF CC(C)c1nn(C)c2c1[C@@](CCl)(CC13CC4CC(CC(C4)C1)C3)NCC2 962904064 AVLKWVDSAOPWKE-LTCBJGFPSA-N 375.988 4.730 50 1 GJGF C[C@]12CCC[C@@](C)(C(=O)Oc3ccc([N+](=O)[O-])cc3)[C@@H]1CCc1cc(O)ccc12 238736430 GJVBORZPPIFWKW-YMPZKCBVSA-N 395.455 4.916 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(COc2ccccc2)N1 587688677 NAULLOOFQHZAMG-KPZWWZAWSA-N 398.703 4.636 50 1 GJGF O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2cc(Cl)ccc2c1O 29238430 ZSGSQTPIGVJSAY-UHFFFAOYSA-N 388.663 4.779 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587086590 DNAMKCJHOHKIHE-OAHLLOKOSA-N 377.261 4.578 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)ncc2[nH]1 586973396 JRWCKYMGYMXQKG-VIFPVBQESA-N 395.098 4.767 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](C)Br)N1 587669833 GAZIKIWVCQCUNT-KEMUVXCRSA-N 391.122 4.511 50 1 GJGF N#C/C(C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)=C1\Nc2ccccc2S1 13122583 JUPLLMOFVOPEPC-ZHZULCJRSA-N 389.392 4.990 50 3 GJGF O=C(c1cc2cc(F)c(F)cc2[nH]1)N1C[C@@H](CCl)c2c1ccc1[nH]ccc21 96913707 UIFYBRRQATZQND-LLVKDONJSA-N 385.801 4.910 50 1 GJGF CC[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587669302 CPGUGCGGJUUULG-TVLCNXBWSA-N 379.111 4.511 50 1 GJGF CCc1cc2c3c(cc[n+]2nc1CC)c1ccccc1n3CCCBr 26577910 NVMFDHHNHGGXJS-UHFFFAOYSA-N 397.340 4.838 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1F)CC2=O 587467007 PJIJBCUEPRKPTM-IBGZPJMESA-N 393.252 4.739 50 1 GJGF O=C1C[C@](CBr)(c2cccc(O)c2)Oc2c1ccc1c2CCCC1 587500074 QDIAGNFHMIMPDF-FQEVSTJZSA-N 387.273 4.527 50 1 GJGF O=C(CCl)Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 299863741 PURASQOYHMQHCF-XCVCLJGOSA-N 378.653 4.523 50 1 GJGF Cc1c(CCCBr)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985402 WDFRQRMZEPXZAW-UHFFFAOYSA-N 382.257 4.788 50 1 GJGF Cc1cccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccc(N)cc3)c2)c1 38145379 CJNSUWHHNMFCAP-MOBKVPTQSA-N 387.508 4.602 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1 587687299 ZRVYPPRQORLYIN-XNAUFCNNSA-N 386.736 4.993 50 1 GJGF O=C1C[C@@](CCl)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 587498504 OAKVQLCMYLABKC-HSZRJFAPSA-N 398.886 4.826 50 1 GJGF C#C/C=C/C[C@@H]1O[C@H](C/C=C(/Br)CC)[C@H](Br)[C@@H]1Cl 95910292 UELSXBUWEOOWJY-NKCXHAKTSA-N 396.550 4.783 50 1 GJGF biogenic,in-vitro O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cccc(F)c12 587632602 LHXHAFVVKIBQQT-UHFFFAOYSA-N 381.632 4.914 50 1 GJGF C=C(c1ccccc1)[C@@H]1COC2(CCC(Nc3ccc(OC)cc3)CC2)OO1 43393444 DRKCISYJSHKTSV-APKLWFBNSA-N 381.472 4.806 50 1 GJGF CC(C)C[C@]1(CCl)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949000 CILCQKYXNAICSP-GOSISDBHSA-N 375.862 4.837 50 1 GJGF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@H](Br)C(=O)C2(C)C 963228150 KUGJPOUIIGTFAR-LIVBEALHSA-N 378.354 4.691 50 1 GJGF CCc1nn(C)c(C(=O)N[C@@H](CCl)c2ccc(C(C)(C)C)cc2)c1Cl 103169908 YCNOZPZQQRSFRT-HNNXBMFYSA-N 382.335 4.643 50 1 GJGF COc1cccc2cc3c(nc12)[C@@](CCl)(Cc1ccc(Cl)cc1)NCC3 963048009 QUIOHIJRQJZJJS-NRFANRHFSA-N 387.310 4.719 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@@H]2Cl 587706528 QGKLLZMVQASAPR-XODWSEBVSA-N 380.688 4.530 50 1 GJGF CC(C)[C@H](Cl)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962955572 MSGNXWWGOOFPEB-DLBZAZTESA-N 375.862 4.835 50 1 GJGF C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])cc2)CCC[C@@]2(C)c3ccc(O)cc3CC[C@@H]12 2356836634 GJVBORZPPIFWKW-PUHATCMVSA-N 395.455 4.916 50 1 GJGF COC(=O)N(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 36311303 NMYQOJWXRSKJMF-UHFFFAOYSA-N 397.434 4.820 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccnc(Br)c2[nH]1 586974411 WGFPMZOLYOJGFY-SECBINFHSA-N 395.098 4.767 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCCl)cc1F 587893961 MAHRDKGBFSDVTR-UHFFFAOYSA-N 398.692 4.624 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@@H](C)CBr)cc1 587898339 IZGZULYOXBOMJU-ZDUSSCGKSA-N 379.681 4.911 50 1 GJGF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C=NNC(=O)Nc1ccccc1 256111391 QAGIQKFINYERQA-XTOYSGIZSA-N 383.492 4.657 50 1 GJGF in-vitro Nc1ncnc2c1c(-c1ccccc1Cl)nn2C[C@H](Cl)c1ccccc1 1857545569 AKMRPSYACGJCLG-HNNXBMFYSA-N 384.270 4.709 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)ccc1N=C=S 587894305 XWXGGWGDBXLQMG-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF COc1ccc(Cl)cc1C#CCc1ccc([N+](=O)[O-])cc1CBr 587897934 ARJGLFDNNYLECJ-UHFFFAOYSA-N 394.652 4.746 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(F)c1)CC2=O 587469414 ZOKMLSJFUVTHPC-LJQANCHMSA-N 393.252 4.739 50 1 GJGF Cn1c(O)cc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587499316 SFJHLCNFIWDVDI-HSZRJFAPSA-N 395.886 4.862 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CC2CC2)N1 587673854 QVXWNEGWBOFNLK-VFZGTOFNSA-N 391.122 4.513 50 1 GJGF COc1ccc2ccccc2c1/C=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 33792949 NEROIGXSNGEMEM-QFEZKATASA-N 398.466 4.619 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)c(OC)c1)([C@H](C)Cl)CC2=O 587457948 DXXLNEYFCSCGHM-LAJNKCICSA-N 390.863 4.547 50 1 GJGF C#CC=CC[C@@H]1C[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@@H]1Br 2356729505 MXITVBDXYLJJHK-NMHRLERGSA-N 390.159 4.687 50 1 GJGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)nc2[nH]1 586973726 NFLBNJCDTXUKPO-VIFPVBQESA-N 395.098 4.767 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(CBr)cc([N+](=O)[O-])c1 587897930 AOGVUYDOAVPCJW-UHFFFAOYSA-N 380.625 4.552 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccccc2)N1 587685231 OPUVCKWEUJHRAV-KZULUSFZSA-N 382.704 4.995 50 1 GJGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ncccc1F 963203042 JNTOQXNQBNOPDM-JTHBVZDNSA-N 391.877 4.826 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CCl)c1F 587894033 PSGDKMCBAGCJFH-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF COc1cc2c(cc1OC)[C@](CCl)(c1cccc(Cl)c1)N(C)[C@@H](C)C2 962635111 QSUKGOIYKFLNQW-RBZFPXEDSA-N 380.315 4.716 50 1 GJGF CCc1c2c(n(C)c1CC)CCC/C2=N\N(C)C(=O)Nc1ccc(C(C)=O)cc1 38149916 BDCNHUMUBBWEDS-NCELDCMTSA-N 394.519 4.557 50 1 GJGF O=C1C[C@](C(=O)Cl)(c2c[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587497141 KQPOAIWGDMGEJB-JOCHJYFZSA-N 379.843 4.673 50 1 GJGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587558106 PVUVBCNECNKZTL-KNQAVFIVSA-N 398.817 4.936 50 1 GJGF Cc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682515 CPEZLBJDDHGXML-KPZWWZAWSA-N 382.704 4.913 50 1 GJGF CCCc1c(O)ccc2c1O[C@H](c1ccc(CBr)cc1)CC2=O 587456585 RMNMOLRMJPMBHP-SFHVURJKSA-N 375.262 4.946 50 1 GJGF Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1ccnc(CCl)n1 587941967 ZZKFTUWBNXJDFX-UHFFFAOYSA-N 391.858 4.958 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(Cl)cc1Cl)O2 587411282 YXMUKVKSUCFDHB-SFHVURJKSA-N 393.295 4.959 50 1 GJGF CCc1ccc(-c2nn(C[C@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1 1857563650 RGLUWOWITHGJPS-KRWDZBQOSA-N 377.879 4.618 50 1 GJGF C=C(C)[C@@H](CC[C@@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 253665612 FAXDRDJWQDFFGZ-PZENNZQWSA-N 380.525 4.656 50 1 GJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(Cl)cc21 587462459 OVPAVWNQRGAKJD-NRFANRHFSA-N 381.815 4.659 50 1 GJGF COc1ccc(Cl)cc1[C@@]1(CBr)NCCc2ccc(F)c(C)c21 962150218 YBVIYJAONFUKSD-GOSISDBHSA-N 398.703 4.580 50 1 GJGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196278 BGICFTAPNXGQBD-HOTGVXAUSA-N 375.280 4.872 50 1 GJGF Oc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 587621636 GDIKITIONRLAEE-UHFFFAOYSA-N 390.668 4.961 50 1 GJGF O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 40865403 OQOJAQHPPFUCRM-SVOBVALRSA-N 392.462 4.563 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cc1ccccc1Br)O2 587377849 PFQXRDMSWCQFMO-SFHVURJKSA-N 394.696 4.525 50 1 GJGF CCCc1c(O)ccc2c1O[C@@H](c1cc(CCl)c3c(c1)COCO3)CC2=O 587461667 RYSOXBVKFHMXJG-LJQANCHMSA-N 388.847 4.657 50 1 GJGF O=C1C[C@@](CBr)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506198 RAEIAAARHVRAOQ-HXUWFJFHSA-N 389.264 4.960 50 1 GJGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587542239 GIBIJTNBKDOBSV-SIKLNZKXSA-N 380.827 4.797 50 1 GJGF C[C@@H]1CC[C@]2(c3ccsc3CCN2Cc2cccn2C)[C@H](Br)C1 962378655 ZAXLCQSEVZPMNX-ZMYBRWDISA-N 393.394 4.924 50 1 GJGF CC[C@H](/C=C/[C@@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 100095017 SGTSZTLPOBUMKG-BTIXENOGSA-N 396.524 4.996 50 1 GJGF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)ccc1O 587542293 IKNMORNAFBXKBI-WIYYLYMNSA-N 382.799 4.540 50 1 GJGF C=C[C@H](CBr)CC[C@H](Br)C(C)(C)Br 1638702 DDAFCJUPWFHYDG-IUCAKERBSA-N 376.958 4.901 50 1 GJGF CC(C)=NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(N(C)C)cc2)n1 73162650 GPHHKEGHBYCZHS-UHFFFAOYSA-N 385.471 4.575 50 1 GJGF C1CCC(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 169321469 YFSMEGFXFYQWSA-UHFFFAOYSA-N 377.525 4.610 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](C)Cl)O2 587370673 HHBOWOJTPKZMFP-ZMZPIMSZSA-N 394.696 4.828 50 1 GJGF C[C@@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497279 IPDAUYQIXUUMDO-QKFKETGDSA-N 398.886 4.681 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)Cl)cc2)N1 587681313 KIYZOAOBAMODQN-XXFAHNHDSA-N 382.660 4.591 50 1 GJGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)c1C 963103639 LTXFNUCFKZWBKF-JLDZCNIISA-N 388.914 4.865 50 1 GJGF O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(F)cc2F)ccc1O 221321204 HWHLXPMAQDJTHY-BHGWPJFGSA-N 386.785 4.755 50 1 GJGF CC[C@]1(CCCBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673002 JKQLPHOYJUCHJM-MEBBXXQBSA-N 393.138 4.903 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccccc2)N1 587685232 OPUVCKWEUJHRAV-SGTLLEGYSA-N 382.704 4.995 50 1 GJGF CC[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322491 MUEFAGDQJGSTFJ-OWOPXTPDSA-N 393.252 4.822 50 1 GJGF C=C[C@@H](CBr)CC[C@@H](Br)C(C)(C)Br 1638703 DDAFCJUPWFHYDG-RKDXNWHRSA-N 376.958 4.901 50 1 GJGF S=C=Nc1cc2nc(-c3ccccn3)n(C3=NCCS3)c2cc1N=C=S 169321333 BNGBEVAQJKBHRK-UHFFFAOYSA-N 394.510 4.518 50 1 GJGF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCCCl 587622054 VUQGGQZRBUQECH-UHFFFAOYSA-N 398.688 4.545 50 1 GJGF CCCCCCCCCCCCCCCC(=O)NNC(=O)C[n+]1ccccc1 43641139 LJDRULVZTDCCJU-UHFFFAOYSA-O 390.592 4.603 50 1 GJGF C[C@H]1CN(CCCn2c3ccccc3c3cc(N=C=S)ccc32)C[C@H](C)N1C 27443629 JEWVQXTWRAAFOV-ROUUACIJSA-N 392.572 4.943 50 1 GJGF N#CSc1c(-c2ccccc2)nc2sc(Cc3noc4ccccc34)nn12 43121977 GACLHFKMKMYIKX-UHFFFAOYSA-N 389.465 4.763 50 1 GJGF C[C@]1(Cl)CC[C@@]2(CC(Br)=C[C@@H]3O[C@]32C)C[C@@H]1Br 169301091 ZIRXBRVKWMOWIG-JZRPKSSGSA-N 384.539 4.758 50 1 GJGF COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cl)CCl)[nH]c4c3)o2)cc1 587008970 SWQVDBCUOKPTDQ-CYBMUJFWSA-N 389.242 4.807 50 1 GJGF O=C1C[C@](CCl)(c2nnc(-c3ccccc3)o2)Oc2c1ccc1c2CCCC1 587499989 XDFZNXOQIRHOIR-QFIPXVFZSA-N 394.858 4.715 50 1 GJGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](C(C)=CC=CC(C)(C)O)C[C@@]12O 2356544911 INRSPVMHHRRRRE-QGZVKYPTSA-N 383.370 4.911 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccccc2)N1 587687101 YTBQCUYWSRUIFS-SGTLLEGYSA-N 382.704 4.995 50 1 GJGF CN(C)CCSSCCCNC(=O)c1cccc(Oc2ccccc2)c1 618012392 DOHOAKHBSDEHMT-UHFFFAOYSA-N 390.574 4.542 50 1 GJGF CC1=C(C(=O)O[C@@H]2C[C@@]3(C)CC[C@H]2C3(C)C)[C@@H](c2ccccc2)C(C#N)=C(N)O1 1857581691 MIEDLFOKZUGEDV-NYCQLSGJSA-N 392.499 4.526 50 1 GJGF O=C(NN=Cc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)cc2)n[nH]1 263590521 PUKFXJQVXJSGFK-UHFFFAOYSA-N 392.768 4.513 50 3 GJGF O=C(CCCl)Nc1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 72139961 VQBCZUDIODPYII-UHFFFAOYSA-N 378.657 4.560 50 1 GJGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(C=CC(=O)[C@]3(C)O)CC[C@]12CBr 85888869 MLAJPUJSVVNEHK-NRWMGAILSA-N 381.354 4.522 50 1 GJGF biogenic CS(=O)(=O)c1ccc2[nH]c(CCl)c(-c3ccccc3Br)c2c1 587649386 UEACPXYPXVJGKW-UHFFFAOYSA-N 398.709 4.740 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)ccc2O)N1 587686058 SIMGZVNSJHAUMU-VVVCHXIZSA-N 384.676 4.656 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587452910 QCJWHHXSAAMRHP-FVMDXXJSSA-N 389.687 4.945 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(F)c2)N1 587727129 AOUKZXOWJPJMEK-BTDLBPIBSA-N 386.667 4.744 50 1 GJGF Cc1nc(O)c2c(n1)N(c1ccccc1)/C(=C(\C#N)c1nc3ccccc3[nH]1)S2 17218243 WRAZPHCLFUOTNS-STZFKDTASA-N 398.451 4.503 50 1 GJGF O=C(CCC[C@@H]1OO[C@@H]2CCC[C@@](c3ccccc3)(OO1)O2)c1ccccc1 195190901 CSPBLIGIKIVPGE-VSKRKVRLSA-N 384.428 4.655 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)Br)CC2=O 587455865 GYUPJCLYDFUHJE-ZUOKHONESA-N 389.289 4.989 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCBr)N1 587673483 NFPWZCIFJQJEOZ-XPTSAGLGSA-N 379.111 4.513 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccccc2)N1 587687103 YTBQCUYWSRUIFS-XIKOKIGWSA-N 382.704 4.995 50 1 GJGF FC(F)(F)c1c(Br)ccc2nc(/C=C\CBr)[nH]c12 586974796 ZXHFTDHDAABHHS-UPHRSURJSA-N 383.993 4.752 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(C)C)cc1)O2 587372010 GZWDNGQIPWHGCV-FQEVSTJZSA-N 388.305 4.956 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)C2(C)C 587377650 OMRVMQRTTDPVOS-YDISMWLMSA-N 378.310 4.501 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587683321 GNHDGCULGWGALA-SGTLLEGYSA-N 382.704 4.913 50 1 GJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CCl 587881242 QXQXQZMJXOXXTB-UHFFFAOYSA-N 380.702 4.751 50 1 GJGF COc1ccc(C(=O)N/N=C/c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 653697066 ALBAWYHJXFPJHO-AFUMVMLFSA-N 387.414 4.747 50 1 GJGF N#CSC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531714 IXJMMVYAURRRRM-OAQYLSRUSA-N 394.452 4.549 50 1 GJGF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13761793 AYVYBHVPLAEZTM-NCSDWTHHSA-N 396.575 4.943 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)o1)CC2=O 587456262 LTAPMECHYJEFBH-GOSISDBHSA-N 379.250 4.502 50 1 GJGF Cc1cc2c(cc1F)[C@](CCBr)(c1ccc3c(c1)CCC3)NCC2 962144417 KTEOPHAYOFMDSR-NRFANRHFSA-N 388.324 4.797 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C)c1)CC2=O 587457052 URNLFSLHCIZRHX-HXUWFJFHSA-N 389.289 4.909 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)ccc1O 587542292 IKNMORNAFBXKBI-RXVVDRJESA-N 382.799 4.540 50 1 GJGF O=C1[C@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103196292 HSWKUDSZJZUSAQ-HZPDHXFCSA-N 375.280 4.872 50 1 GJGF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Cl)CCl)[nH]c4c3)o2)cc1 587008971 SWQVDBCUOKPTDQ-ZDUSSCGKSA-N 389.242 4.807 50 1 GJGF CC(C)OC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1 13675497 NJHBCELTHBZYPJ-SFHVURJKSA-N 398.894 4.551 50 1 GJGF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl 587549311 ZKHXROZICPSFRX-SIKLNZKXSA-N 396.826 4.843 50 1 GJGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(Cl)cc3)(C(F)(F)F)C2)cc1 1772635331 HKTSZMQHHSHLKQ-LJQANCHMSA-N 390.792 4.903 50 1 GJGF C=C(C)[C@@H](CCC(C)=CCOc1cc(O)cc(O)c1C(=O)[C@@H](C)CC)OO 2356779597 BMEORAQEILRDFC-MAUKXSAKSA-N 378.465 4.866 50 1 GJGF O=C(c1cc2cc(F)cc(F)c2[nH]1)N1C[C@@H](CCl)c2c1ccc1[nH]ccc21 96913709 QYDNIHGOZQJQQX-LLVKDONJSA-N 385.801 4.910 50 1 GJGF C=C[C@@](C)(O)CC[C@@H]1C(=C)[C@H](Br)C[C@@H](Br)C1(C)C 166656505 DKTCDYQKNAKCBB-RGCMKSIDSA-N 380.164 4.833 50 1 GJGF CCCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCC3 45256963 DEPWCDOKLZHUMP-UHFFFAOYSA-N 388.558 4.574 50 1 GJGF C[C@H]1[C@H](Br)C(=O)[C@H](C)[C@@]23CC[C@]2(C)[C@H](Br)C[C@]13C 140209766 DZASHWYZXQVNJH-BSSFAIJFSA-N 378.148 4.565 50 1 GJGF CC(C)[C@@]1(O)C[C@H]2C[C@@H]3[C@H]4[C@@](C)(O)CC[C@@H](Br)[C@]4(C)CC[C@]31C2 238754655 WHLAGUKIUYKHHP-PEDXZBLOSA-N 385.386 4.514 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCC(C=O)=C2Cl)N1 587701350 AZVXCSOBAUYVND-ZPQPFTAQSA-N 386.692 4.655 50 1 GJGF Cc1ccc2c(c1)[C@@]1(C(C#N)=CO2)c2cc(Br)cc3c2C(C)(C)CN31 963072766 VELQMNBSHLJPQR-NRFANRHFSA-N 393.284 4.912 50 1 GJGF CC(=O)[C@@H]1[C@H](O)C[C@H](Br)[C@]2(C)CC[C@]3(C)[C@H](C(C)C)CC[C@H]3[C@H]12 2356653845 QWBOKBWTXUULSX-KGWJGZJESA-N 385.386 4.825 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2cc(Br)cc(Cl)c2[nH]1 586970506 FVRDDCSNNFTMSZ-SNVBAGLBSA-N 396.510 4.840 50 1 GJGF CC[C@@]1(CCCBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587672999 JKQLPHOYJUCHJM-BMIGLBTASA-N 393.138 4.903 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCC(C=O)=C2Cl)N1 587701347 AZVXCSOBAUYVND-OGTWGDGJSA-N 386.692 4.655 50 1 GJGF Cc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 1857553077 SUUKRSNFVOHKTF-AFUMVMLFSA-N 382.467 4.919 50 1 GJGF C[C@H]1CN(CCCn2c3ccccc3c3cc(N=C=S)ccc32)C[C@@H](C)N1C 22938889 JEWVQXTWRAAFOV-HDICACEKSA-N 392.572 4.943 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1cccs1 587609088 BHUCCYZDZVOUKK-PXNSSMCTSA-N 386.856 4.940 50 1 GJGF CC(C)[C@H](Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587671406 ROARITNRFXEHSB-XOZVTBISSA-N 379.111 4.583 50 1 GJGF CC1(C)O[C@](C)([C@@H]2CC[C@](C)(C#N)[C@@H]3CC[C@](C)(O)[C@@H](C#N)[C@@H]32)CC[C@H]1Cl 2356650890 UYWJZBDANPVSDN-QAYPUQKFSA-N 392.971 4.798 50 1 GJGF CC(C)[C@]1(O)C[C@H]2C[C@@H]3[C@@H]4[C@](C)(O)CC[C@H](Br)[C@]4(C)CC[C@]31C2 2356729963 WHLAGUKIUYKHHP-RKBSHRPMSA-N 385.386 4.514 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(F)cc1 587572595 SNPXKHHHJROQAG-DENIHFKCSA-N 398.817 4.713 50 1 GJGF COc1cc2c(cc1OC)[C@@H](c1ccc(CBr)cc1)N(C)[C@H](C)C2 962573501 SEHLKRSCHKNMHI-ZUOKHONESA-N 390.321 4.565 50 1 GJGF C=C(c1ccc2ccccc2c1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 43524099 STURMUXSIYGTAL-OWJIYDKWSA-N 394.467 4.960 50 1 GJGF C[C@@H](NC(=O)[C@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 103205784 GHWOIRDPMOKWCX-KMUNFCNLSA-N 379.125 4.643 50 1 GJGF N#Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587497393 CHGXVHKWGOJICL-NRFANRHFSA-N 396.284 4.693 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCC(C=O)=C2Cl)N1 587706505 QEYVOUSUPWAGFJ-CIBPLQMKSA-N 386.692 4.655 50 1 GJGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12C=C/C(=C/Br)CC2 238756835 BERVNSMGLDGYPR-VKFVRIEWSA-N 376.132 4.712 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccsc1)CC2=O 587498139 YXVLUUAUOWGGBU-QGZVFWFLSA-N 381.291 4.662 50 1 GJGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 13586186 XXIREWVZTCHLRV-DEOSSOPVSA-N 397.478 4.550 50 1 GJGF O=C(CCC[C@@H]1OO[C@@H]2CCC[C@](c3ccccc3)(OO1)O2)c1ccccc1 100840625 CSPBLIGIKIVPGE-YPAWHYETSA-N 384.428 4.655 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2)N1 587689821 WRZLHQHDWPVSAC-XIKOKIGWSA-N 382.704 4.799 50 1 GJGF Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc3oc(C)cc23)C(C)(C)C)c1 103215903 CGPJBRTUKRQLQJ-UHFFFAOYSA-N 378.472 4.944 50 1 GJGF COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587496803 FSYMPKGUNBYJEW-QFIPXVFZSA-N 386.875 4.682 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)ccc2O)N1 587686402 UXRZJYFJZSYVEH-HUTHGQBESA-N 384.676 4.656 50 1 GJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(C(F)(F)F)cn2)N1 962952029 PPKXLMSPISEOKS-ORAYPTAESA-N 393.840 4.988 50 1 GJGF CC[C@]1(CCCBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673004 JKQLPHOYJUCHJM-ZUZCIYMTSA-N 393.138 4.903 50 1 GJGF C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968540 AUIQVMLZIOYPBH-QMMMGPOBSA-N 386.723 4.543 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(CCCl)CCCl)cc1)O2 587375607 NLILDUIYGNTRPE-IBGZPJMESA-N 393.314 4.568 50 1 GJGF C[C@@]1([C@@H](Cl)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499225 SBIQAELUGBJVCS-UNMCSNQZSA-N 383.875 4.535 50 1 GJGF O=C(NCc1ccccc1)O[C@@H](CCl)COc1cccc(C(F)(F)F)c1 103188794 YGXHREHUIBMHNW-INIZCTEOSA-N 387.785 4.618 50 1 GJGF COc1ccc2c(c1)c([C@]1(CCl)NCCc3cccc(Cl)c31)c(C)n2C 963392141 YDJCMZQVEAKVCD-NRFANRHFSA-N 389.326 4.777 50 1 GJGF C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N/N=C\c1cccs1 103189733 YNDKNFTZFADPSP-FAYXELMVSA-N 377.680 4.626 50 1 GJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]21c2ccccc2CC[C@H]1Cl 962697888 GWCBSJOBHGVGEN-HVETUWLQSA-N 387.951 4.987 50 1 GJGF Cc1cccc2c1[C@H]([C@@H](Cl)C(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863287 SEWILACRTGXQRN-AYOQOUSVSA-N 395.927 4.936 50 1 GJGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1 1860761 IMWKRMJFEUPBBH-KXKDPZRNSA-N 392.886 4.813 50 1 GJGF N#C/C(C(=O)Nc1ccc(-c2nc(C(F)(F)F)cs2)cc1)=C(/O)C1CC1 100784891 NWRAAJVDKYJKAK-OWBHPGMISA-N 379.363 4.513 50 1 GJGF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C 27752046 KYNGRVNVTPVYIO-HOTGVXAUSA-N 375.306 4.944 50 1 GJGF O=C1C[C@@](CBr)(c2cccs2)Oc2c1ccc1c2CCCC1 587530093 CSZZJXMWRDHJJH-GOSISDBHSA-N 377.303 4.883 50 1 GJGF CC(=CC[C@@H](O)[C@](C)(Br)CCl)C(Cl)=CBr 2356487811 MWLCSTLCEIAZQL-NXEZZACHSA-N 380.935 4.551 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)Cl)cc2)N1 587681310 KIYZOAOBAMODQN-JDNHERCYSA-N 382.660 4.591 50 1 GJGF Cc1ccc(C(=O)NN=C2C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 1772606230 RTTQSGJLKJCOQE-PSWAGMNNSA-N 383.495 4.947 50 1 GJGF Fc1ccccc1CNc1ncnc2c1cnn2C[C@H](Cl)c1ccccc1 29151495 VCOAOUSBGWYYLM-KRWDZBQOSA-N 381.842 4.558 50 1 GJGF CC(C)[C@]1(O)C[C@H]2C[C@H]3[C@H]4[C@](C)(CC[C@@]31C2)[C@@H](Br)CC[C@@]4(C)O 101957476 WHLAGUKIUYKHHP-ABFWNZAKSA-N 385.386 4.514 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(CCl)c1 587894629 SEKONBXQKPOWLW-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF O=C(N/N=C/c1cccc(Br)c1)c1ccc(-c2ccccc2F)o1 71334232 ZLSFTVRVOWGAGD-SRZZPIQSSA-N 387.208 4.612 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCl)cc2)N1 587686564 VWJBDGIHGZMJDG-ADLMAVQZSA-N 398.703 4.829 50 1 GJGF N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)N[C@H](c1ccccc1)C1CC1 73159697 DURJNLSQUMSRQA-CAZPATRMSA-N 385.511 4.851 50 1 GJGF COc1ccc2c(c1)c([C@@]1(CCl)NCCc3cccc(Cl)c31)c(C)n2C 963392143 YDJCMZQVEAKVCD-OAQYLSRUSA-N 389.326 4.777 50 1 GJGF COc1ccc(C(=O)NN=C2C[C@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 1772610181 YFVRQFBSOWLFTB-DNQXCXABSA-N 399.494 4.647 50 1 GJGF O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 15934195 RMLDFBSTXJIBGG-AFUMVMLFSA-N 386.842 4.714 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(COc2ccccc2)N1 587689836 WURGXHVWHFJABQ-SGTLLEGYSA-N 398.703 4.636 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Cl)Cl)(C(F)(F)F)N1 587705326 LVRWVCYBLWZWDV-BLTYZCFWSA-N 395.021 4.684 50 1 GJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2[nH]c(C)c(C(C)=O)c2C)N1 962963739 ZTAFXEDRZSQKGC-QRQCRPRQSA-N 383.923 4.722 50 1 GJGF FC(F)(F)Oc1cc(Br)cc2nc([C@H](Cl)CCl)[nH]c12 587008289 NCPFDSHYYOLZTK-RXMQYKEDSA-N 377.975 4.743 50 1 GJGF COc1ccc(-c2nc3sc(Cc4ccccc4)nn3c2SC#N)cc1 299821372 LHRKETABGCLYLG-UHFFFAOYSA-N 378.482 4.630 50 1 GJGF C=C1C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12C=CC(=CBr)CC2 2356556452 BERVNSMGLDGYPR-GZBFAFLISA-N 376.132 4.712 50 1 GJGF Fc1cccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccccc2)c1 29151343 IDZXNZQRVWDXGU-SFHVURJKSA-N 381.842 4.558 50 1 GJGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](C(C)=CC=CC(C)(C)O)C[C@@]12O 2356544910 INRSPVMHHRRRRE-LCLWPZTBSA-N 383.370 4.911 50 1 GJGF Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N2[C@H](C)CCC[C@H]2C)cc1 101938272 MAMWIACXSYCQFW-OVGZCAFISA-N 384.973 4.754 50 1 GJGF C=C[C@@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 238740439 POWOOZMDXKYYOK-FWKFCYAVSA-N 384.932 4.975 50 1 GJGF COc1ccc(Cl)cc1C#CCc1cc2c(cc1CBr)OCO2 587899068 YSAHUIUJTZPMDI-UHFFFAOYSA-N 393.664 4.566 50 1 GJGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 2356618189 IPIYLSHSOAXUMV-GXXJFWRLSA-N 399.607 4.811 50 1 GJGF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@@H]2[C@](C)(O)CCl 2356610438 JXCLTHHKAAIRJX-POHUPDAJSA-N 398.971 4.928 50 1 GJGF COc1cc(/C(=C/C#N)c2csc(-c3ccccc3)n2)cc(OC)c1OC 72116192 KVKAILJMXXIFRR-SXGWCWSVSA-N 378.453 4.791 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCl)cc2)N1 587686998 YKECLGNTVCSIDZ-BBATYDOGSA-N 398.703 4.829 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccccc2)N1 587687099 YTBQCUYWSRUIFS-KZULUSFZSA-N 382.704 4.995 50 1 GJGF BrCC[C@H]1CCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961327803 VIZOBXZWVKZARJ-CXAGYDPISA-N 399.170 4.908 50 1 GJGF Nc1ncnc2c1c(-c1ccccc1Cl)nn2C[C@@H](Cl)c1ccccc1 1857545570 AKMRPSYACGJCLG-OAHLLOKOSA-N 384.270 4.709 50 1 GJGF CCc1cnc2cccc([C@H]3C(C#N)=C(C)NC(C)=C3C(=O)OC(C)C)c2c1 205379778 VOEYZQBGJPXFOP-QFIPXVFZSA-N 375.472 4.507 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(C(=O)Cl)cccc21 587373785 SRSDXEQVGDMNMN-HSZRJFAPSA-N 389.838 4.846 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC[C@@H]2Cl 587703891 HUCPRGXQJGARGF-DQNAHFDYSA-N 394.715 4.920 50 1 GJGF O=C(N/N=C/c1c(-c2ccc(O)cc2)[nH]c2ccccc12)c1ccc(Cl)cc1 73198026 GIFKCTGKWCJQFR-ZMOGYAJESA-N 389.842 4.958 50 1 GJGF C=N[C@H]1[C@H]2[C@H]([C@]3(C)CC[C@H](Cl)C(C)(C)O3)CC[C@@](C)(N=C)[C@@H]2CC[C@]1(C)O 238744261 QOEVUIRXHICMBB-QAYPUQKFSA-N 397.003 4.657 50 1 GJGF COc1cc(OC)c2[nH]c([C@@H](C)c3ccc(CBr)cc3)nc2c1 586974181 RZURQZJPRPOQMF-NSHDSACASA-N 375.266 4.627 50 1 GJGF C[C@@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497276 IPDAUYQIXUUMDO-FATZIPQQSA-N 398.886 4.681 50 1 GJGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CCCCC[C@@H]2Cl)N1 963186317 UTIPQETZQJEGPQ-MQIPJXDCSA-N 396.236 4.725 50 1 GJGF CCOc1ccc2c(=O)cc([C@H](C)Br)oc2c1CBr 73197778 IEAZSKRACRBNBI-QMMMGPOBSA-N 390.071 4.543 50 1 GJGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614282 RTGALQHLOKCEHZ-FXAWDEMLSA-N 386.856 4.858 50 1 GJGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963097781 NMMXKEYLCISQPW-JSVDNDDVSA-N 386.898 4.676 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)c(F)c1 587894759 YTGRGWAPKMCNRJ-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@]3(O)[C@@H](C(C=O)=CC[C@H]12)[C@@H](O)C[C@H]3C 2356326020 UBNPMTQHPOHFMQ-LFUSKXBQSA-N 386.576 4.845 50 1 GJGF COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587685838 RUXJACFSCGVITF-BBATYDOGSA-N 398.703 4.613 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)Cl)c(Br)c1 587901121 WFBUYABQSKQKSG-UHFFFAOYSA-N 384.056 4.890 50 1 GJGF CC(C)(C)N(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1Cl 103186375 VHFPPNOCTTYTFK-UHFFFAOYSA-N 398.812 4.945 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(F)cc(Br)c1N=C=O 587916519 LQZOBJAKZVRQHK-UHFFFAOYSA-N 380.600 4.617 50 1 GJGF C=C(C)[C@H](CC[C@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 2356653171 FAXDRDJWQDFFGZ-WLNPFYQQSA-N 380.525 4.656 50 1 GJGF C=C(C(=O)OCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 73311008 UMWLUYIWEHIEBT-MAZHCROVSA-N 383.326 4.603 50 1 GJGF Cc1cc(C)c(OC[C@H]2C[C@@H](O)CC(=O)O2)c([C@H](Cl)C2CCCCC2)c1 26746663 JEIUHLQCZMJKSE-MBOZVWFJSA-N 380.912 4.609 50 1 GJGF in-vitro Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 103172791 SWXAGHDKCVQIAL-LPYMAVHISA-N 396.288 4.621 50 1 GJGF COc1cc(OC)c2[nH]c([C@H](C)c3ccc(CBr)cc3)nc2c1 586974179 RZURQZJPRPOQMF-LLVKDONJSA-N 375.266 4.627 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@H]2Cl 587547013 KQZCNZMAUQBAJV-QTEQDKRBSA-N 392.838 4.803 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2c(Cl)c(Br)cnc2[nH]1 587086660 GACKIWZFMOSUNB-ZETCQYMHSA-N 385.462 4.558 50 1 GJGF N#Cc1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500624 TXCDZOCVHXUONM-NRFANRHFSA-N 396.284 4.693 50 1 GJGF Nc1ccccc1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1857745881 BGBBFURFEHZTRD-UHFFFAOYSA-N 394.346 4.514 50 1 GJGF CC(C)[C@]1(O)C[C@H]2C[C@@H]3[C@H]4[C@](C)(CC[C@]31C2)[C@H](Br)CC[C@@]4(C)O 2356729962 WHLAGUKIUYKHHP-JBQOYEPLSA-N 385.386 4.514 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 230071163 HWLRIFRIRNSGBG-VLBLXAJRSA-N 398.499 4.596 50 1 GJGF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(Br)CC2)N1 587679018 DXCXVHMCQLHEHX-IWPPJYEWSA-N 391.122 4.655 50 1 GJGF N#CC1=C(N)OC2=C(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(Cl)cc1 6040157 WURHFSXAVRLWIS-IBGZPJMESA-N 393.830 4.803 50 1 GJGF CC[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322497 MUEFAGDQJGSTFJ-XTDINYQCSA-N 393.252 4.822 50 1 GJGF O=C1C[C@@](CBr)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587503031 KHSULEBUHGYBDB-HXUWFJFHSA-N 389.264 4.960 50 1 GJGF Cc1ccccc1[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccc(N)cc2)c1 38145348 SEQIULPVGWPJGZ-MOBKVPTQSA-N 387.508 4.602 50 1 GJGF C=C(C)[C@@H](CC/C(C)=C/COc1cc(O)cc(O)c1C(=O)[C@@H](C)CC)OO 84618949 BMEORAQEILRDFC-JGRVFGOJSA-N 378.465 4.866 50 1 GJGF COC(=O)c1ccc(Oc2ccc3nc(/C=C/CBr)[nH]c3c2)cc1 586972778 BGUOMQSLBGLWHM-NSCUHMNNSA-N 387.233 4.550 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc(F)c1 587569325 HQLNHIYLLDCZCM-GHTZIAJQSA-N 384.790 4.627 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(C)[nH]c3ccccc13)O2 587374735 PSFUWAQYRYKZOJ-HXUWFJFHSA-N 399.288 4.623 50 1 GJGF C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C#N)O[Si](C)(C)C 2356618190 IPIYLSHSOAXUMV-VGBCXKBCSA-N 399.607 4.811 50 1 GJGF O=C1C[C@](CCl)(c2ncc(Cl)cc2F)Oc2c1ccc1c2CCCC1 587504664 MXKITEQFALDDES-IBGZPJMESA-N 380.246 4.852 50 1 GJGF O=C1C[C@](CBr)(c2ccsc2)Oc2c1ccc1c2CCCC1 587536648 YMHYGCHUEVGVFD-SFHVURJKSA-N 377.303 4.883 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(N=C=S)ccc1F 587894382 HHPBMICNFDLVTR-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF CC[C@@H](C)c1ccc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962930788 MLAHGIONSGORRL-WAIKUNEKSA-N 384.951 4.530 50 1 GJGF C=C1CC[C@H](C)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356307431 WYPXMKLNZILWFT-GNZUXEHGSA-N 383.370 4.767 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](CCBr)CC3 586984699 ORVRXGTXECNWIL-NSHDSACASA-N 394.268 4.967 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587682521 CPEZLBJDDHGXML-SGTLLEGYSA-N 382.704 4.913 50 1 GJGF CC(C)COc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972405 PTPNUVDGKDWZLN-ARJAWSKDSA-N 388.103 4.768 50 1 GJGF COc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1 1772638908 IKWZWEAMEVAVPQ-DZQSVEARSA-N 384.435 4.628 50 1 GJGF CCCCCCCn1ccc([C@@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)n1 223909036 MUEHTGWYFWABDR-XMMPIXPASA-N 390.531 4.874 50 1 GJGF CO[C@@H]1[C@]2(CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)/C(C)=C/CC=C(C)C)CO2 195237659 NZRQEJKRQQIFPR-WAFVLAOPSA-N 396.644 4.988 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)([C@H](C)Br)O2 587372429 IREMFZGITHWALE-VOJFVSQTSA-N 394.696 4.875 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)cc(O)n3C)CC2=O 587458661 DSXDLBBRMIQHCO-QFIPXVFZSA-N 399.874 4.642 50 1 GJGF C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(N=C=S)c1cccc3c1[C@H](C(=O)N3)C2(C)C 196023660 AVHUCHOOGRXBJM-CDHZIWFJSA-N 398.915 4.574 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC[C@@H]2Cl 587707480 WCAUMZGZROZQJU-VMKIBOBSSA-N 394.715 4.920 50 1 GJGF CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 13837207 LBIPUBVVGYRBNA-YCSFVSLASA-N 398.971 4.680 50 1 GJGF COc1ccc2[nH]c(C(=O)Nc3cc(N)c4ccccc4c3CCCl)cc2c1 28520460 HBYWDESRMFTSDA-UHFFFAOYSA-N 393.874 4.946 50 1 GJGF C[N+]1(CCOc2ccccc2/C=C(\C#N)c2noc3ccccc23)CCCCC1 42965559 JCLWHSNYKGUHSJ-LVZFUZTISA-N 388.491 4.901 50 1 GJGF CC1(C)C[C@H](Br)C[C@](C)(O)[C@@]12C=CC(=CBr)CC2 2356557095 AAUMBOCDCYMWBT-AEGPPILISA-N 378.148 4.936 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C=C2CC(C)(C)C[C@@H]23)c(O)c1 2356849118 PSYAOSKFPRSDTM-RGZWJVDOSA-N 396.483 4.516 50 1 GJGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 73163583 RYYAESVOIOREFP-FYXHJSOBSA-N 383.835 4.813 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845233 CZUOFRCAQSRVQS-JDNHERCYSA-N 388.733 4.975 50 1 GJGF C[C@@H]1CC[C@H]2CC(=O)O[C@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@@]23OO4 195322086 CAOLQOIBDULJTG-CGBIMEHRSA-N 386.488 4.542 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587087161 MKJJHBBPBCJXAN-QMMMGPOBSA-N 390.125 4.796 50 1 GJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587558105 PVUVBCNECNKZTL-DENIHFKCSA-N 398.817 4.936 50 1 GJGF CC[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671411 RRWZNXSVZWXCTO-RFXMVYNHSA-N 379.111 4.511 50 1 GJGF CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 100641479 KUEHNLZVHCUTAI-LJQANCHMSA-N 382.485 4.561 50 1 GJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 103205733 BYEQZUJTFRJJAK-FQEVSTJZSA-N 381.435 4.650 50 1 GJGF O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc(N=Nc2ccccc2)cc1 253917027 BOKGTAQIYGBUDX-UHFFFAOYSA-N 377.364 4.554 50 1 GJGF COc1cc(C(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 40576830 QRGZAXVHIJWFPG-RIYZIHGNSA-N 391.345 4.521 50 1 GJGF O=C(NN=C(c1ccccc1)c1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 103180668 DYRGFQULAPWNTH-UHFFFAOYSA-N 390.446 4.899 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@@H](C)Br)cc1 587898955 VEIWFCPDRVEUTP-GFCCVEGCSA-N 377.665 4.715 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCC(C=O)=C2Cl)N1 587701305 AZVXCSOBAUYVND-CIBPLQMKSA-N 386.692 4.655 50 1 GJGF CC(=CBr)[C@H](Cl)CC(Cl)=C(C)[C@@H](O)CBr 2356802656 SNFHWEQVTWTDNJ-SCZZXKLOSA-N 380.935 4.551 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3[nH]c(O)cc3c1)CC2=O 587461148 PSHSHHQGEFNZQZ-NRFANRHFSA-N 385.847 4.631 50 1 GJGF CS(=O)(=O)/C(C#N)=C/c1cccc(Cc2ccc(Cl)c(Cl)c2)c1F 1857556962 AEEISLFFOSQSRG-NTEUORMPSA-N 384.259 4.632 50 1 GJGF CC(C)=CCCC(C)=C[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@@H]3C[C@@H](O)C(C)=C[C@@H]3O2)O1 2356337116 VWADHHNIZLGVSH-KJWQXZETSA-N 398.543 4.962 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(F)c1 587569334 HQLNHIYLLDCZCM-NQIIRXRSSA-N 384.790 4.627 50 1 GJGF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253634089 AYVYBHVPLAEZTM-VBXXQAQBSA-N 396.575 4.943 50 1 GJGF C=C1CCC(C)=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)C1 2356307248 QFDXYVQLCRYWCQ-OBKDMQGPSA-N 383.370 4.911 50 1 GJGF O=C1C(Cl)=CC(=CNNC(=O)c2cc3c(ccc4ccccc43)o2)C=C1Cl 15885150 SRMPFINFOIIXOY-UHFFFAOYSA-N 399.233 4.532 50 3 GJGF O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2ccc(Cl)cc2c1O 29245928 YZXIDHWPGRKTKO-UHFFFAOYSA-N 388.663 4.779 50 1 GJGF CC(C)(C)[C@@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542598 HUAJVQLBHMEXHZ-IFXJQAMLSA-N 381.255 4.942 50 1 GJGF [C-]#[N+]C1=C(c2ccc(OC)cc2)NC(C)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261152109 PCSMSISWQCWMFT-NRFANRHFSA-N 381.439 4.652 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](C)(c1csc(C(=O)CCl)c1)CC2=O 587495481 RHTAUXXCDQYURK-LJQANCHMSA-N 378.877 4.708 50 1 GJGF CC(=O)[C@@H]1[C@H](O)C[C@H](Br)[C@]2(C)CC[C@]3(C)[C@H](C(C)C)CC[C@@H]3[C@H]12 2356653844 QWBOKBWTXUULSX-FHSCCLLOSA-N 385.386 4.825 50 1 GJGF C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc2c(c1)Nc1ccccc1S2 13146974 ADFBGCZUZKLTKQ-QRVIBDJDSA-N 375.453 4.754 50 1 GJGF Cc1ccc(C2OOC(c3ccc(CNc4ccc(N)cc4)cc3)OO2)cc1 72174897 FSQDEAUQOWHFTH-UHFFFAOYSA-N 378.428 4.797 50 1 GJGF CCOC(=O)Cc1c(CCl)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994383 ZBZHDVOFQHLDFN-UHFFFAOYSA-N 379.843 4.599 50 1 GJGF Cc1cccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1 653749315 DJJMPYLSYCUVTF-MFKUBSTISA-N 382.419 4.532 50 1 GJGF O=C1c2ccc(O)cc2O[C@](CCl)(C(Cl)Cl)[C@H]1c1ccc(F)cc1 587325072 WKXRGVFHCNRJBP-YOEHRIQHSA-N 389.637 4.672 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587417379 MBUISXXSMJHQDQ-SGTLLEGYSA-N 383.658 4.884 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(O)c1 14507471 HWLRIFRIRNSGBG-WUIOEGJCSA-N 398.499 4.596 50 1 GJGF endogenous,in-man C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@]12C=C/C(=C\Br)CC2 238775019 BERVNSMGLDGYPR-QHUQVJGYSA-N 376.132 4.712 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1 587683499 HLDTZRCIKMOFMF-FPPRRRHASA-N 386.736 4.993 50 1 GJGF C=C[C@@](Br)(CBr)CC[C@@H](Br)C(C)C 1856057 LRJPUDKMTFONPR-ZJUUUORDSA-N 376.958 4.901 50 1 GJGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCSC#N)C[C@@H]12 28655090 BWOYRZGAHINJJB-YMKYFCOASA-N 391.621 4.971 50 1 GJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1/C=C\C(=O)OCc1ccccc1 195155271 RWJDOAFAENHZHO-DWQWQOHNSA-N 376.569 4.855 50 1 GJGF C[C@@]1(c2ccccc2NC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587495819 AEAPTQTZURMPAU-QFIPXVFZSA-N 383.875 4.623 50 1 GJGF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(O)c1 14507474 HWLRIFRIRNSGBG-ZIIKPNHKSA-N 398.499 4.596 50 1 GJGF endogenous,in-man CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(F)cc1 40847186 KAENOIXEDCUPLY-OAHLLOKOSA-N 393.919 4.879 50 1 GJGF CC1=C(C#N)[C@@H](c2cccc3c2-c2ccccc2C3=O)C(C(=O)OC(C)C)=C(C)N1 43099936 YRCCQBDFMJYFKI-HSZRJFAPSA-N 398.462 4.608 50 1 GJGF Cc1ccc(CCl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878463 FSRJIHMZQITZHD-UHFFFAOYSA-N 380.702 4.751 50 1 GJGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4C)cc3)[nH]c2cc1C 1857592070 CHLKXDGHXIUJCH-AFUMVMLFSA-N 382.467 4.919 50 1 GJGF Cc1ccc2c3c(cc([C@@H](NC(=O)CCl)C(C)C)nc13)-c1ccccc1C2=O 586993808 QAGSPJHZCGZNNO-NRFANRHFSA-N 392.886 4.807 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Nc3cccc(Cl)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43693253 DVUVHGBXRLKFTP-SZMJOESGSA-N 393.911 4.960 50 1 GJGF COc1ccc(/C=N/NC(=O)c2coc3c(Cl)cc(Cl)cc23)c(OC)c1 73310616 FDMITIJGWRUZRR-ODCIPOBUSA-N 393.226 4.521 50 1 GJGF CC1=C[C@]2(C=C(C=O)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C\C(C)C)C1 238783847 YRIGGXDSFBAFBS-AYMJXRHNSA-N 398.543 4.818 50 1 GJGF C[C@H](SC#N)[C@@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817726 OMVPLFISNVPFLL-OYHNWAKOSA-N 377.513 4.711 50 1 GJGF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C 13557656 KYNGRVNVTPVYIO-HZPDHXFCSA-N 375.306 4.944 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)C(C)C)O2 587372055 HEJYFQSHMOTFQU-PMACEKPBSA-N 388.305 4.857 50 1 GJGF O=C1C[C@](CBr)(Cc2ccccc2)Oc2c1ccc1c2CCCC1 587500735 VDTUFYJUASOPPP-NRFANRHFSA-N 385.301 4.907 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](C)Br)N1 587671941 VXOZPCAFUFXVKP-XWRVAKJBSA-N 391.122 4.511 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1C(=O)Cl 587900297 LYOGGGCWBQJXIQ-UHFFFAOYSA-N 384.056 4.890 50 1 GJGF CC[C@@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413971 JNCBSPCGWXEDGU-WRWLIDTKSA-N 387.273 4.512 50 1 GJGF CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498334 NBKHEPMATLLEMC-QFIPXVFZSA-N 383.875 4.623 50 1 GJGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1C 962397677 LBASXXRYVHWBOR-OAQYLSRUSA-N 387.980 4.583 50 1 GJGF COc1ccc([C@]2(CCl)NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963116454 XILZTZHHSVTCKE-SFHVURJKSA-N 386.706 4.639 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C)c1)CC2=O 587457050 URNLFSLHCIZRHX-FQEVSTJZSA-N 389.289 4.909 50 1 GJGF COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587685843 RUXJACFSCGVITF-ZMZPIMSZSA-N 398.703 4.613 50 1 GJGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@H](/C(C)=C/C=C/C(C)(C)O)C[C@]12O 14854497 INRSPVMHHRRRRE-SQNYRFRLSA-N 383.370 4.911 50 1 GJGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 98083778 AYKUWDCTCFGGGV-KGENOOAVSA-N 376.372 4.543 50 1 GJGF FC(F)(F)c1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 586974058 PUSALQWNMMRVRM-OWOJBTEDSA-N 383.993 4.752 50 1 GJGF COc1ccc2nc3ccccc3c(NCCN(CCCl)CCCl)c2c1 5885625 OVAHSQOOCCIUFZ-UHFFFAOYSA-N 392.330 4.588 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586973425 JXLKLJFFGGMBMQ-SECBINFHSA-N 378.201 4.657 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C=C2CC(C)(C)C[C@H]23)c(O)c1 2356849120 PSYAOSKFPRSDTM-YJLYGGOZSA-N 396.483 4.516 50 1 GJGF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 60027391 QAGIQKFINYERQA-GNXHNBPPSA-N 383.492 4.657 50 1 GJGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@@H](Br)[C@H]1Cl 2356569910 UELSXBUWEOOWJY-RQJABVFESA-N 396.550 4.783 50 1 GJGF C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])cc2)CCC[C@@]2(C)c3ccc(O)cc3CC[C@H]12 2356836633 GJVBORZPPIFWKW-PMVMPFDFSA-N 395.455 4.916 50 1 GJGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)C2CCCCC2)c1 38145328 YTXAQKDYZUHRDA-YUIBMZAKSA-N 379.529 4.826 50 1 GJGF COc1c(C)cc([C@]2(CBr)NCCc3ccc(F)c(C)c32)cc1C 962148230 RQRDLKBRHUUDJV-FQEVSTJZSA-N 392.312 4.544 50 1 GJGF CC(C)[C@]1(O)C[C@H]2C[C@@H]3[C@H]4[C@](C)(CC[C@]31C2)[C@@H](Br)CC[C@@]4(C)O 2356729965 WHLAGUKIUYKHHP-ZQYNSNHWSA-N 385.386 4.514 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC[C@H]2Cl 587703889 HUCPRGXQJGARGF-CYXMAGCYSA-N 394.715 4.920 50 1 GJGF C[C@@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586894092 ZPNVBPVZAOFASU-RXMQYKEDSA-N 381.164 4.906 50 1 GJGF COc1cc2c(cc1OC)[C@@](CCl)(c1cccc(Cl)c1)N(C)[C@@H](C)C2 962635114 QSUKGOIYKFLNQW-RNODOKPDSA-N 380.315 4.716 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)c(OC)c1)([C@@H](C)Cl)CC2=O 587457950 DXXLNEYFCSCGHM-XUSGNXJCSA-N 390.863 4.547 50 1 GJGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 2356663570 MFXMPUIXRGTKOU-FTBPSBKWSA-N 398.543 4.804 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587187910 MVJSAFXFHDVSAG-WUXMJOGZSA-N 378.304 4.985 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2Br)N1 587681257 KDRAVYKZDMGYGE-MURWCNHISA-N 391.122 4.655 50 1 GJGF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587686125 SPMYDLIEOGPEAX-XTZNXHDOSA-N 398.703 4.959 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(F)c1N=C=O 587914891 IJYCMUIOHRMZKQ-UHFFFAOYSA-N 380.600 4.617 50 1 GJGF COc1ccc(-c2coc3cc(OCCCBr)ccc3c2=O)cc1 1772599991 CPOSZODRDPAOPZ-UHFFFAOYSA-N 389.245 4.632 50 1 GJGF CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 3975804 LBIPUBVVGYRBNA-VGUVCEGPSA-N 398.971 4.680 50 1 GJGF investigational CCCc1c(O)ccc2c1O[C@@](C(=O)Cl)(c1c(C)[nH]c3ccccc13)CC2=O 587457721 BQFJPHRJYBDVJM-JOCHJYFZSA-N 397.858 4.761 50 1 GJGF COc1ccc(C=CC(=O)C2=C(C=O)[C@H](C=O)[C@]3(C)CCCC(C)(C)[C@H]3C2)cc1 2356400525 BJIKCZAVEKVMKG-PWWKTKHKSA-N 394.511 4.824 50 1 GJGF COc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 40602045 FPYZCTPRDJDBLE-ONEGZZNKSA-N 382.427 4.689 50 1 GJGF CCCOSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C 103214489 CECSPBBOBMZDKS-UHFFFAOYSA-N 386.517 4.975 50 1 GJGF N#C/C=C/c1ccc2ncc3oc(=O)n(-c4cccc(C(F)(F)F)c4)c3c2c1 1857599617 SVBCFEOXIVKCIH-NSCUHMNNSA-N 381.313 4.687 50 1 GJGF Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1 299837336 JVIRTQVFRYNZMQ-KAOWQTPLSA-N 396.903 4.656 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccccc2)N1 587685233 OPUVCKWEUJHRAV-XIKOKIGWSA-N 382.704 4.995 50 1 GJGF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl 587686810 XNTICPFVDRHRDP-YPMLDQLKSA-N 398.703 4.959 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CCl)c2)N1 587685262 PAGSXBUUPCNXIR-MGNBDDOMSA-N 398.703 4.830 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1)CC2=O 587466711 MJCLLBPYJJVVJZ-IBGZPJMESA-N 393.252 4.739 50 1 GJGF C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497547 JAOLXQXOKDUKNF-WHEQGISXSA-N 380.875 4.930 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(F)cc2)N1 587731635 HUMQRVGHVUUWOU-DYZYQPBXSA-N 386.667 4.744 50 1 GJGF CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)CC[C@@H]12 95605345 BERUNAPIPIALIL-CTBGZIJUSA-N 386.576 4.968 50 1 GJGF COc1ccc(/C=N/NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)cc1 103198825 KETQYQDWCQUQDN-FYHAJLKWSA-N 376.431 4.755 50 1 GJGF CC(C)N[C@@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169350592 CLJJAJITPUUYLW-CRTIWDKESA-N 394.482 4.716 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCBr)N1 587673481 NFPWZCIFJQJEOZ-LKFCYVNXSA-N 379.111 4.513 50 1 GJGF COc1ccc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)c(OC)c1 963088614 FZDZKZVCBLTOPP-SRVWHDFXSA-N 389.898 4.734 50 1 GJGF COc1ccc([C@]2([C@@H](C)Cl)c3ccc(F)cc3C[C@@H]3CCCN32)c(OC)c1 963088615 FZDZKZVCBLTOPP-UVQUFPMPSA-N 389.898 4.734 50 1 GJGF Cc1ccccc1[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1 38145346 KBANKHMAHATEIM-PPCHASGVSA-N 387.508 4.602 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](C)Br)N1 587669836 GAZIKIWVCQCUNT-XWRVAKJBSA-N 391.122 4.511 50 1 GJGF Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CCl)c1 587882593 HEOBHTDQGIQNPC-UHFFFAOYSA-N 380.702 4.751 50 1 GJGF CCOc1ccc2c(=O)cc([C@@H](C)Br)oc2c1CBr 73197777 IEAZSKRACRBNBI-MRVPVSSYSA-N 390.071 4.543 50 1 GJGF CCOC(=O)/C=C/c1cccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)c1 73388695 IHHWKVHXRAIFAK-UQNNOOFXSA-N 396.446 4.634 50 1 GJGF CC(=O)O[C@H]1C=C(C)CC[C@](C)(C/C=C/C(C)(C)OO)[C@H]2C[C@@H]2[C@@](C)(O)C1 299806664 IHAVJIZXNLZVTI-IAXLYBSTSA-N 380.525 4.656 50 1 GJGF Cc1cc2c(cc1F)[C@](CCl)([C@H](C#N)c1nc3ccccc3s1)NCC2 962088107 COWCLJBPHQYRLW-FOIQADDNSA-N 385.895 4.631 50 1 GJGF CCCN(CCC)CC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103105365 PFPRCVNRISHOOC-IJKPOHIVSA-N 395.584 4.749 50 1 GJGF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(CBr)c(F)c1 963110094 ZYXZQVFWCFSGSJ-LPHOPBHVSA-N 378.260 4.970 50 1 GJGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4cccc(F)c4)ncnc32)cc1 29136065 VSJMCLJTKQOXFV-GOSISDBHSA-N 399.832 4.697 50 1 GJGF Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587495006 BEWSGPSZFAOJAW-HSZRJFAPSA-N 393.870 4.981 50 1 GJGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](CCBr)[C@@H]2O 49000261 WELBFZAQJQOAGJ-FTVOKIHPSA-N 379.338 4.620 50 1 GJGF Cc1sc2c(c1C)CCN[C@@]2(C(Br)Br)C(C)(C)C 963016800 CHOAPTVMPPBLBH-AWEZNQCLSA-N 395.204 4.868 50 1 GJGF CS(=O)(=O)/C(C#N)=C/c1cc(Cc2ccc(Cl)c(Cl)c2)ccc1F 1857597328 OQQDRELJABOQDN-NTEUORMPSA-N 384.259 4.632 50 1 GJGF CC[C@H](/C=C/[C@@H]1[C@H](/C=C/CCCCCCCCC(=O)OC)[C@H]2C[C@H]1OO2)OO 261523536 SGTSZTLPOBUMKG-VOSROEFFSA-N 396.524 4.996 50 1 GJGF in-vitro FC(F)(F)Oc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972746 ATDIHCNGKCKNSN-UPHRSURJSA-N 399.992 4.632 50 1 GJGF O=C(c1cc2cc(F)c(F)cc2[nH]1)N1C[C@H](CCl)c2c1ccc1[nH]ccc21 96913708 UIFYBRRQATZQND-NSHDSACASA-N 385.801 4.910 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)ccc2O)N1 587686404 UXRZJYFJZSYVEH-XLFHBGCDSA-N 384.676 4.656 50 1 GJGF CC[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413969 JNCBSPCGWXEDGU-SYNHAJSKSA-N 387.273 4.512 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCCCl)cc1F 587916241 HFGLZCZDMHTZCM-UHFFFAOYSA-N 380.246 4.845 50 1 GJGF CC(C)c1ccccc1OS(=O)(=O)c1ccc(NC(=O)CCCCl)cc1 1857654500 YWFUOYJKKYCAJC-UHFFFAOYSA-N 395.908 4.535 50 1 GJGF Cc1ccc2c3c(c4c(nc13)[C@H](Br)C(=O)CC4)-c1ccccc1C2=O 586992476 BRFUYIROIIINAJ-GOSISDBHSA-N 392.252 4.706 50 1 GJGF Cc1ccc2c(c1)[C@]1(C(C#N)=CO2)c2cc(Br)cc3c2C(C)(C)CN31 963072770 VELQMNBSHLJPQR-OAQYLSRUSA-N 393.284 4.912 50 1 GJGF C[C@@]1(c2ccc(N=C=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339663 SJVMJVLGUHLEJI-GGAORHGYSA-N 389.382 4.773 50 1 GJGF CC[C@]1(CCCBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539347 VRIJCSJIIJBOPX-VQIMIIECSA-N 391.261 4.678 50 1 GJGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@]12NCCc1c(C(=O)O)cccc12 963126689 WWHUTIXBWDWIJH-WIYYLYMNSA-N 375.585 4.690 50 1 GJGF C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238065 ODHNNCPVPUSGPG-JJIBRWJFSA-N 395.890 4.667 50 1 GJGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103196290 HSWKUDSZJZUSAQ-HOTGVXAUSA-N 375.280 4.872 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@@H](C)Br)O2 587372087 HJWCZHXOGLWMMB-ADLMAVQZSA-N 394.696 4.875 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Nc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42784499 SIYJGJKXIBNSSF-YBVSZUDCSA-N 393.911 4.960 50 1 GJGF CC[C@H](c1ccc(O)cc1)[C@H](CI)c1ccc(O)cc1 5925943 BTKKPGVOGPPAAQ-IAGOWNOFSA-N 382.241 4.810 50 1 GJGF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 85911666 HWLRIFRIRNSGBG-UELIRJISSA-N 398.499 4.596 50 1 GJGF in-man CC(C)=CCC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(C=O)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O1 95591365 VWADHHNIZLGVSH-UMDANYIUSA-N 398.543 4.962 50 1 GJGF CC1=C[C@]2(C=C(C=O)[C@H]3C[C@@H](O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C/C(C)C)C1 238783855 YRIGGXDSFBAFBS-NHLJVFQBSA-N 398.543 4.818 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CCl)c2)N1 587681743 AJOLJJLSRMRJBY-YPMLDQLKSA-N 398.703 4.830 50 1 GJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2[nH]c(C)c(C(C)=O)c2C)N1 962963709 ZTAFXEDRZSQKGC-IVZQSRNASA-N 383.923 4.722 50 1 GJGF C=C1CC=CC(C)(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356729542 QHYOKLZXJMYIOC-KLBVCGFUSA-N 383.370 4.767 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)cc1)CC2=O 587457073 VLYCXEPAKUVJOS-HXUWFJFHSA-N 389.289 4.909 50 1 GJGF Cc1ccc(-c2csc(NC(=O)CCCSSCCN(C)C)n2)cc1 618012640 USCPKHHKLDDXDR-UHFFFAOYSA-N 395.619 4.780 50 1 GJGF Cc1cc2c(cc1F)[C@](CCl)(c1cc(C)n(Cc3ccco3)c1C)NCC2 962145505 MDKBMRNRJYJYKS-QFIPXVFZSA-N 386.898 4.822 50 1 GJGF O=Cc1ccccc1CCC[C@@H]1[C@@H](Cl)CCN1c1ccc2c(c1)CC[C@H]2O 2356704782 IPAQQGNCKOGOQD-YTFSRNRJSA-N 383.919 4.688 50 1 GJGF FC(F)(F)Oc1cc2nc([C@@H](Cl)CCl)[nH]c2cc1Br 587007784 HNDSWQCGJAPWLW-YFKPBYRVSA-N 377.975 4.743 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Cl)s1)O2 587412543 ZSYSQEWIUKMHAZ-HNNXBMFYSA-N 386.698 4.548 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Br)[C@H]1c1ccc(F)cc1 587322627 HULZOKUGRCZWAD-AOIWGVFYSA-N 391.236 4.576 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@@H]2Cl 587701037 ADEGDEKQHHXFGA-APEXYLGGSA-N 380.688 4.530 50 1 GJGF O=C(NN=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1)c1ccc(F)cc1 1772577283 MMVBABLKLWKZPY-DHIUTWEWSA-N 387.458 4.778 50 1 GJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 103205735 BYEQZUJTFRJJAK-HXUWFJFHSA-N 381.435 4.650 50 1 GJGF O=C(O)c1cccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1 139611887 DFMAKQLPRUIJPJ-UHFFFAOYSA-N 384.472 4.870 50 1 GJGF O=C(CCC[C@H]1OO[C@@H]2CCC[C@@](c3ccccc3)(OO1)O2)c1ccccc1 195190912 CSPBLIGIKIVPGE-FSSWDIPSSA-N 384.428 4.655 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)cc1)CC2=O 587457072 VLYCXEPAKUVJOS-FQEVSTJZSA-N 389.289 4.909 50 1 GJGF C[C@]1(c2ccc(O)c(CCl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542014 HFKFQLGTFUBCPV-SIKLNZKXSA-N 396.826 4.714 50 1 GJGF COc1ccc(Cl)cc1[C@]1(CBr)NCCc2ccc(F)c(C)c21 962150219 YBVIYJAONFUKSD-SFHVURJKSA-N 398.703 4.580 50 1 GJGF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=C(\C#N)C(=O)O)cc1 1857646829 JRAMKNDGRATXJD-RVDMUPIBSA-N 393.830 4.583 50 1 GJGF C=C1CCC(C)=C(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 2356307250 QFDXYVQLCRYWCQ-WAPOTWQKSA-N 383.370 4.911 50 1 GJGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4cccc(F)c4)ncnc32)cc1 29136063 VSJMCLJTKQOXFV-SFHVURJKSA-N 399.832 4.697 50 1 GJGF O=C(CCC[C@H]1OO[C@@H](CCCC(=O)c2ccccc2)OO1)c1ccccc1 100841080 SPQGCNKBADZAQK-HZCBDIJESA-N 384.428 4.655 50 1 GJGF N#C/C(C(=O)Nc1ccc(N=C=S)cc1)=C(/O)c1ccc(C(F)(F)F)cc1 34493769 QSFMXYKQFBXFNH-NXVVXOECSA-N 389.358 4.871 50 1 GJGF Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(C)s1 2501746 IRUGBQXZZOVDEA-FQEVSTJZSA-N 393.487 4.809 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)C(C)C)O2 587372063 HEJYFQSHMOTFQU-UXHICEINSA-N 388.305 4.857 50 1 GJGF COc1cc2c(cc1OC)[C@H](c1ccc(CBr)cc1)N(C)[C@H](C)C2 962573500 SEHLKRSCHKNMHI-XCLFUZPHSA-N 390.321 4.565 50 1 GJGF CC(=CBr)[C@@H](Cl)CC(Cl)=C(C)[C@H](O)CBr 2356802657 SNFHWEQVTWTDNJ-WCBMZHEXSA-N 380.935 4.551 50 1 GJGF O=C1CC(CBr)=NN1c1c2ccccc2nc2ccc(Cl)cc12 49066480 RJCZXAIXQPCFDZ-UHFFFAOYSA-N 388.652 4.529 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CC[C@H]2Cl 587887994 GKPWLQZKLHBENZ-GOSISDBHSA-N 392.713 4.930 50 1 GJGF CC1=C(C#N)C(c2cn(-c3ccccc3)nc2-c2cccs2)C(C#N)=C(C)N1 25326930 KWILKENFFGHBGZ-UHFFFAOYSA-N 383.480 4.883 50 3 GJGF aggregator C#CC=CC[C@@H]1C[C@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Br 2356729503 MXITVBDXYLJJHK-GWNLFYIMSA-N 390.159 4.687 50 1 GJGF Cc1cc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc2cccnc12 115598577 LGBISRSGSGVAPA-VULFUBBASA-N 384.483 4.655 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1 587687296 ZRVYPPRQORLYIN-FPPRRRHASA-N 386.736 4.993 50 1 GJGF COc1c(/C=C(\C#N)S(C)(=O)=O)cccc1Cc1ccc(Cl)c(Cl)c1 1857567127 CTLVVOXAJIMNNB-XNTDXEJSSA-N 396.295 4.502 50 1 GJGF O=c1c2ccccc2oc2cc(OCCCCCBr)cc(O)c12 299828987 YNDIXJYBIFONLR-UHFFFAOYSA-N 377.234 4.596 50 1 GJGF O=C1C[C@](CBr)(c2cccs2)Oc2c1ccc1c2CCCC1 587530106 CSZZJXMWRDHJJH-SFHVURJKSA-N 377.303 4.883 50 1 GJGF CC[C@]1(CCCBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539346 VRIJCSJIIJBOPX-QFBILLFUSA-N 391.261 4.678 50 1 GJGF C[C@@H](Cl)C(=O)Nc1cccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963107328 MGXDGRBJJSHSBJ-WYRIXSBYSA-N 397.733 4.968 50 1 GJGF COc1ccc(Cl)cc1C#CCc1c(CBr)cccc1[N+](=O)[O-] 587898981 VRYNUKSKASWICM-UHFFFAOYSA-N 394.652 4.746 50 1 GJGF CC[C@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413768 JNCBSPCGWXEDGU-OXFYSEKESA-N 387.273 4.512 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(COc2ccccc2)N1 587689834 WURGXHVWHFJABQ-KPZWWZAWSA-N 398.703 4.636 50 1 GJGF N#C/C(C(=O)Nc1ccc(Br)cc1)=C(/O)c1ccc(Cl)cc1 34493724 HMLJKTXPJGLSOG-PFONDFGASA-N 377.625 4.534 50 1 GJGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1)c1ccccc1 73164477 BBXJKURJAPBSQO-FYXHJSOBSA-N 399.288 4.719 50 1 GJGF CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C#N)cc1 84615953 OOZZSIFENWJGKW-LDADJPATSA-N 398.491 4.898 50 1 GJGF Cc1ccc(S(=O)(=O)/N=C(/CCCCCl)N2[C@@H](C)CCC[C@H]2C)cc1 101938262 MAMWIACXSYCQFW-MXBQBZSESA-N 384.973 4.754 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586970710 DVYMOTQQHCENRM-KRWDZBQOSA-N 387.277 4.655 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccccc1C(F)(F)F)O2 587382812 SHCGHRPVIXYUDO-SFHVURJKSA-N 392.402 4.671 50 1 GJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@@H]1Br 587458514 KHEHFPBIJWKDQX-ICSRJNTNSA-N 387.273 4.525 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Nc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42784498 SIYJGJKXIBNSSF-SZMJOESGSA-N 393.911 4.960 50 1 GJGF CCCc1c(O)ccc2c1O[C@](c1ccc(O)c(OC)c1)([C@@H](C)Cl)CC2=O 587457947 DXXLNEYFCSCGHM-GTJPDFRWSA-N 390.863 4.547 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(F)c1CCl 587893597 YREDPPRXSMJVLF-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF COc1cccc(CO[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CBr)c1 72102912 IDANHJVNMORBOH-VAMGGRTRSA-N 389.289 4.672 50 1 GJGF Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587499376 MLCHOOBNYCWOFT-IBGZPJMESA-N 375.262 4.722 50 1 GJGF O=c1c2ccccc2oc2c(O)c(OCCCCCCBr)ccc12 49048309 YXXPWFJTAXBXEH-UHFFFAOYSA-N 391.261 4.986 50 1 GJGF C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275388 CZPWVXJZYSMELQ-ZETCQYMHSA-N 383.302 4.934 50 1 GJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(Cl)cc21 587462463 OVPAVWNQRGAKJD-OAQYLSRUSA-N 381.815 4.659 50 1 GJGF C[C@@]1([C@H](Cl)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499215 SBIQAELUGBJVCS-IRLDBZIGSA-N 383.875 4.535 50 1 GJGF COc1ccc(C(=O)NN=C2C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 1772610185 YFVRQFBSOWLFTB-PSWAGMNNSA-N 399.494 4.647 50 1 GJGF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587274783 SPURTFYJQJOUGC-UHFFFAOYSA-N 383.302 4.682 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1 587543402 KKPBZMKTHXAQHO-KNQAVFIVSA-N 380.827 4.574 50 1 GJGF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C(Cl)Cl)[C@@H](C2)C3=O 587419139 WYAYHGMHIPUFQU-SCLBCKFNSA-N 383.658 4.795 50 1 GJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2c(ccc3ccccc32)s1 40900868 VMTQIEFSFXELMZ-RGVLZGJSSA-N 391.412 4.513 50 1 GJGF CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCOCc1ccccc1)CCC[C@@H]3CC2(C)C 43328027 AOUXKPINNPCWQO-XLGPZGCCSA-N 390.520 4.845 50 1 GJGF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CBr)[nH]c12 586972504 VCVACVQKJHEPGQ-UHFFFAOYSA-N 398.182 4.729 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(CBr)C3(C)C)O2 587378137 RZFMLHQNPSOQOQ-QQGDVQBRSA-N 378.310 4.502 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Cl)Cl)(C(F)(F)F)N1 587707022 SBLLQAJZXIOOMR-GCXOYZPQSA-N 395.021 4.684 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(F)c1 587894717 XDZPPJRQSNIBJI-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)c([N+](=O)[O-])c1 587898972 VHNWIWAQUJZJNU-UHFFFAOYSA-N 380.625 4.552 50 1 GJGF Fc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(F)cc2)cc1 29136097 VAORLJQUVFIABJ-SFHVURJKSA-N 399.832 4.697 50 1 GJGF CO[C@H]1O[C@]2(C)OO[C@@]13[C@H](CCOCc1ccccc1)CCC[C@@H]3CC2(C)C 100860638 AOUXKPINNPCWQO-XTUPKSGUSA-N 390.520 4.845 50 1 GJGF CC(C)(C)N(NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1Cl 653857986 YKFPRHCRSCITKU-UHFFFAOYSA-N 398.812 4.945 50 1 GJGF C#CC=CC[C@@H]1O[C@H](CC=C(Br)CC)[C@@H](Br)[C@@H]1Cl 2356569912 UELSXBUWEOOWJY-XJFOESAGSA-N 396.550 4.783 50 1 GJGF O=C(Nc1nccs1)c1c(C(Cl)Cl)nc2c(Cl)cccc2c1O 29241785 OEXRSGJLBKSYNK-UHFFFAOYSA-N 388.663 4.779 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(N=C=S)c1 587894403 IICNPXSVHOFYFY-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF O=C1[C@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196285 BGICFTAPNXGQBD-CVEARBPZSA-N 375.280 4.872 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3cccc(I)c3[nH]2)cc1 587188464 TZROCGYTFLHZNH-LCYFTJDESA-N 385.208 4.540 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)cc1F 587893977 MZHPHQKWGGLVCF-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF O=C(CCC[C@@H]1OO[C@H]2CCC[C@@](c3ccccc3)(OO1)O2)c1ccccc1 195190925 CSPBLIGIKIVPGE-BDTNDASRSA-N 384.428 4.655 50 1 GJGF C[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541665 CTSLFYLGRFPNIC-BANJIEJESA-N 380.827 4.877 50 1 GJGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C[C@@H]2Br 587496040 HJTOPACFQQIRSL-PZJWPPBQSA-N 383.285 4.746 50 1 GJGF CC(C(=O)CBr)=C1C[C@H]2C(C)(C)[C@H](Br)CC[C@@]2(C)O1 2356457382 NSYOBSREGDLDDX-GZBFAFLISA-N 394.147 4.603 50 1 GJGF O=C(O)c1ccc(C2CCC3(CC2)COC2(OO3)C3CC4CC(C3)CC2C4)cc1 72114720 JRWHTNNPJJPNLN-UHFFFAOYSA-N 398.499 4.912 50 1 GJGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 587326683 MOOXXCYUDWFVNT-IRLDBZIGSA-N 398.817 4.730 50 1 GJGF CN(C)/C=C(\C#N)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505961 QZXMUGUJQUODRX-UFIOJNINSA-N 390.458 4.534 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(F)c2)N1 587734261 UTHCRIMWAMEBDD-DYZYQPBXSA-N 386.667 4.744 50 1 GJGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccs1 646918 LNIGVIGJBDEDDC-CYBMUJFWSA-N 389.267 4.663 50 1 GJGF COc1ccc(-n2c(SCCl)nc3sc4c(c3c2=O)CCCC4)cc1 28948786 SRVMFFQZXFNEOD-UHFFFAOYSA-N 392.933 4.623 50 1 GJGF Fc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccccc2)cc1 29151329 OTSDQTWQPMUEAB-GOSISDBHSA-N 381.842 4.558 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1cccc(Br)c1)O2 587377907 QGOLZEINEFSKDT-GOSISDBHSA-N 394.696 4.525 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(F)ccc1Cl)O2 587387059 ZOEGCPCRHCVGBT-QGZVFWFLSA-N 398.659 4.625 50 1 GJGF C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499219 SBIQAELUGBJVCS-RBBKRZOGSA-N 383.875 4.535 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Nc3cccc(Cl)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43693255 DVUVHGBXRLKFTP-YBVSZUDCSA-N 393.911 4.960 50 1 GJGF COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCCCl)cc3CN1CC2 210436275 MRYWDVLOYWQXCU-KRWDZBQOSA-N 377.937 4.679 50 1 GJGF COc1cccc(-c2cc(CNC(=O)[C@@H](C)Cl)nc3c2oc2ccccc23)c1 587359440 YNUVSLGHCAZYBL-CYBMUJFWSA-N 394.858 4.900 50 1 GJGF O=C(CCl)Nc1ccc(-n2cc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 1772573176 WMVPUWAUHCKCJY-UHFFFAOYSA-N 388.858 4.779 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(CCCl)CCCl)cc1)O2 587375614 NLILDUIYGNTRPE-LJQANCHMSA-N 393.314 4.568 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@@H]2Cl 587547008 KQZCNZMAUQBAJV-JTAQYXEDSA-N 392.838 4.803 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCBr)N1 587674676 YXTQSZMNPXRTGR-YMTOWFKASA-N 379.111 4.513 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)Cl)cc2)N1 587682009 MCFDOVSKOKITIS-ABKXIKBNSA-N 382.660 4.591 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2c(Br)cnc(Cl)c2[nH]1 587086870 HYQQIPSSZQXSLZ-ZETCQYMHSA-N 385.462 4.558 50 1 GJGF Nc1cc(Br)ccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CCl 587644201 PNFKBNNNDRWTPD-UHFFFAOYSA-N 380.629 4.827 50 1 GJGF C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968536 AUIQVMLZIOYPBH-MRVPVSSYSA-N 386.723 4.543 50 1 GJGF N#CC1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587340148 UJKDKYUCGBMMIH-ISKFKSNPSA-N 399.377 4.586 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1 587683507 HLDTZRCIKMOFMF-XNAUFCNNSA-N 386.736 4.993 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(COc2ccccc2)N1 587688678 NAULLOOFQHZAMG-KZULUSFZSA-N 398.703 4.636 50 1 GJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(C(F)(F)F)cn2)N1 962952017 PPKXLMSPISEOKS-BFUOFWGJSA-N 393.840 4.988 50 1 GJGF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@H]2[C@@](C)(O)CCl 2356610439 JXCLTHHKAAIRJX-YXIAPDDASA-N 398.971 4.928 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 85911665 HWLRIFRIRNSGBG-AEVBCJCYSA-N 398.499 4.596 50 1 GJGF in-man CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)Br)CC2=O 587455864 GYUPJCLYDFUHJE-XCLFUZPHSA-N 389.289 4.989 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cccc(NC(=O)C(C)(C)CCl)c1 587905526 XYYWCCPXPARQRC-UHFFFAOYSA-N 376.283 4.952 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2cc(Br)c(F)c(F)c2[nH]1 587087281 NSXGFUNPRYPILY-SECBINFHSA-N 386.009 4.788 50 1 GJGF C[C@@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319212 ASRZUOSXKMBUGM-HKUYNNGSSA-N 393.252 4.824 50 1 GJGF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCl 13645675 MZVTUWYHKLEXBR-WAYWQWQTSA-N 378.852 4.509 50 1 GJGF CC(=O)O[C@H]1CC/C(C)=C/CC/C(C)=C/[C@@H]2O[C@@]1(C)CC[C@@H]2[C@@](C)(O)CCl 15154107 JXCLTHHKAAIRJX-ZTPGHWFBSA-N 398.971 4.928 50 1 GJGF Cc1ccc(C(=O)NN=C2C[C@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1 1772606228 RTTQSGJLKJCOQE-DNQXCXABSA-N 383.495 4.947 50 1 GJGF C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497277 IPDAUYQIXUUMDO-LFVRLGFBSA-N 398.886 4.681 50 1 GJGF Cc1ccc(C(=O)NNC(=S)Nc2csc(-c3ccc(C)cc3)c2)cc1 169350771 VDOOUFVNFRHCRR-UHFFFAOYSA-N 381.526 4.663 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCBr)N1 587673484 NFPWZCIFJQJEOZ-YMTOWFKASA-N 379.111 4.513 50 1 GJGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(C(F)(F)F)cn2)N1 962952033 PPKXLMSPISEOKS-YJYMSZOUSA-N 393.840 4.988 50 1 GJGF O=C1C[C@](CCCl)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587496519 DMXLKAQOLYDBBN-HSZRJFAPSA-N 398.886 4.826 50 1 GJGF CC(C)(C)[C@]1(C(Cl)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542599 HUAJVQLBHMEXHZ-KUHUBIRLSA-N 381.255 4.942 50 1 GJGF C[C@H](Br)[C@@]1(c2cccs2)c2ccc(F)cc2C[C@H]2CCCN21 963097871 ICQSROQTPGLQBI-PNPHSEOMSA-N 380.326 4.935 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 586970442 BCMRLNHRHNKCRS-MRXNPFEDSA-N 385.265 4.520 50 1 GJGF [C-]#[N+][C@@H]1[C@@H]2[C@H](CC[C@@]1(C)O)[C@@](C)([N+]#[C-])CC[C@H]2[C@@]1(C)CC[C@@H](C(C)(C)[N+]#[C-])O1 140196698 WUFZGMUGDGETGF-BDKZWSFCSA-N 383.536 4.775 50 1 GJGF COc1cc2c3c(c1)O[C@](CCl)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423326 WZKOPQNEOXDJSM-KBXCAEBGSA-N 382.765 4.596 50 1 GJGF O=C1C[C@@](CCl)(c2ccc3nc(O)oc3c2)Oc2c1ccc1c2CCCC1 587499064 RJSMSNYXMZMUCI-OAQYLSRUSA-N 383.831 4.512 50 1 GJGF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CC=CC(C)(C)OO)[C@@H]2C[C@@H]2[C@@](C)(O)C1 2356599655 IHAVJIZXNLZVTI-DGYCAGFBSA-N 380.525 4.656 50 1 GJGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)c1C 963103643 LTXFNUCFKZWBKF-YHEJKZAPSA-N 388.914 4.865 50 1 GJGF CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587498333 NBKHEPMATLLEMC-JOCHJYFZSA-N 383.875 4.623 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)ccc2O)N1 587685962 SIMGZVNSJHAUMU-HUTHGQBESA-N 384.676 4.656 50 1 GJGF CCc1cccc2c([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c[nH]c12 587418835 BBKROODYYHXZOC-ZHRRBRCNSA-N 381.859 4.621 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 85911661 HWLRIFRIRNSGBG-SFQCETLFSA-N 398.499 4.596 50 1 GJGF endogenous,in-man Cc1ccc([C@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccc(N)cc3)c2)cc1 38145388 DZDRPDSXPVCYDL-MOBKVPTQSA-N 387.508 4.602 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1CBr 587898220 GOSMKTIJRAVPLS-UHFFFAOYSA-N 380.625 4.552 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)([C@H](C)Br)O2 587372101 HJWCZHXOGLWMMB-VOJFVSQTSA-N 394.696 4.875 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OC)c(F)c1)CC2=O 587466755 NWADYSVXZXZIDP-HXUWFJFHSA-N 378.827 4.592 50 1 GJGF C[C@@H](C(=O)NNC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 103198666 XDZCPDCOOXYDJG-OAHLLOKOSA-N 393.487 4.614 50 1 GJGF O=C1c2ccc(O)cc2O[C@](CCl)(CCCCl)[C@@H]1c1ccc(F)cc1 587329587 YNGADFNUECSXSB-MJGOQNOKSA-N 383.246 4.887 50 1 GJGF COc1cc2c(cc1OC)[C@H](c1ccc(CBr)cc1)N(C)[C@@H](C)C2 962573498 SEHLKRSCHKNMHI-RBZFPXEDSA-N 390.321 4.565 50 1 GJGF COc1ccc([C@]2([C@H](C)Cl)c3ccc(F)cc3C[C@H]3CCCN32)c(OC)c1 963088613 FZDZKZVCBLTOPP-ORHBMQHOSA-N 389.898 4.734 50 1 GJGF COc1cccc(C(=O)/C=C/c2ccc(N(CCCl)CCCl)cc2)c1 1857542003 FDGNRFLWAKBGSV-JXMROGBWSA-N 378.299 4.875 50 1 GJGF O=C(N/N=C\Nc1ccc(C(F)(F)F)cc1)c1cc2c(cn1)[nH]c1ccccc12 103180665 LCVYHRUNLNGNRP-UHFFFAOYSA-N 397.360 4.520 50 1 GJGF CC(=O)SCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772586252 MCSAMHVCQOLIQN-UHFFFAOYSA-N 379.485 4.650 50 1 GJGF COCc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 73314894 MJTBJMPEEDJGDQ-UHFFFAOYSA-N 395.357 4.980 50 1 GJGF C=C(C)[C@H](CC[C@@]1(C)CC/C(C)=C/[C@@H](OC(C)=O)C[C@](C)(O)[C@H]2C[C@@H]21)OO 238754053 FAXDRDJWQDFFGZ-MRFVPLDXSA-N 380.525 4.656 50 1 GJGF CC[C@@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587413765 JNCBSPCGWXEDGU-MDYRTPRTSA-N 387.273 4.512 50 1 GJGF CCCc1c(O)ccc2c1O[C@](CCl)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O 587458415 BDRKDZHUQLTIBF-OAQYLSRUSA-N 389.879 4.592 50 1 GJGF Fc1ccc([C@@H](Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1 49808456 AAMZEJILAVQVEW-KRWDZBQOSA-N 385.805 4.828 50 1 GJGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C(=C(C)C=CC=O)C(=O)C[C@H]32)C1(C)C 2356809881 ATXVBBVHLSEAQK-GXFKWVDHSA-N 386.532 4.821 50 1 GJGF COc1cc(CCCCl)cc2c([N+](=O)[O-])c(-c3ccc4c(c3)OCO4)oc12 66077187 CEVOCNZOYXPUDA-UHFFFAOYSA-N 389.791 4.917 50 1 GJGF O=C1[C@@H](Cl)[C@@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103196287 HSWKUDSZJZUSAQ-JKSUJKDBSA-N 375.280 4.872 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587452915 QCJWHHXSAAMRHP-XXFAHNHDSA-N 389.687 4.945 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1 587543405 KKPBZMKTHXAQHO-SIKLNZKXSA-N 380.827 4.574 50 1 GJGF Nc1ncnc2c1c(-c1cccc(Cl)c1)nn2C[C@@H](Cl)c1ccccc1 1857547538 AZBMKUCWLPFTGQ-OAHLLOKOSA-N 384.270 4.709 50 1 GJGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 2356663573 MFXMPUIXRGTKOU-NQHRYMMQSA-N 398.543 4.804 50 1 GJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 103209824 BTGQMARYGBZEQV-HXUWFJFHSA-N 399.425 4.789 50 1 GJGF CCCc1c(O)ccc2c1O[C@](c1ccc(O)c(OC)c1)([C@H](C)Cl)CC2=O 587457949 DXXLNEYFCSCGHM-QKVFXAPYSA-N 390.863 4.547 50 1 GJGF O=C(CCCC[C@H]1CCSS1)OC1CCN(Cc2ccccc2)CC1 95584501 FPKIKKBICRACBD-IBGZPJMESA-N 379.591 4.908 50 1 GJGF O=[P@](Nc1ccc(Cl)cn1)(c1ccccc1)c1nc2ccccc2s1 38145846 NDOLIPIIPLSHJI-XMMPIXPASA-N 385.816 4.686 50 1 GJGF COCc1c(SC#N)[nH]cc2nc3ccc(OCc4ccccc4)cc3c1-2 100841499 ZSMNMYCBVFAPQG-UHFFFAOYSA-N 375.453 4.966 50 1 GJGF C[C@@H]1CC[C@H]2CC(=O)O[C@@H]3O[C@@]4(CCCCc5ccccc5)CC[C@@H]1[C@]23OO4 169371786 CAOLQOIBDULJTG-DHDRQPPESA-N 386.488 4.542 50 1 GJGF C[C@H](Br)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587007907 FRTPXMYSUXUZTD-BYPYZUCNSA-N 387.981 4.680 50 1 GJGF COC(=O)c1cc2nc([C@H](C)Br)[nH]c2c(F)c1Nc1ccccc1 587008941 PHGBRHKPLIJDED-VIFPVBQESA-N 392.228 4.688 50 1 GJGF FC(F)(F)c1cc2nc(/C=C/CBr)[nH]c2cc1Br 586973859 PDPBGEBJMZLPKH-OWOJBTEDSA-N 383.993 4.752 50 1 GJGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12C=C/C(=C\Br)CC2 1653293 BERVNSMGLDGYPR-ZCYTZYRGSA-N 376.132 4.712 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccccc1C(F)(F)F)O2 587382811 SHCGHRPVIXYUDO-GOSISDBHSA-N 392.402 4.671 50 1 GJGF Cc1cc2c(cc1F)[C@@](CCl)(c1cc(C)n(Cc3ccco3)c1C)NCC2 962145478 MDKBMRNRJYJYKS-JOCHJYFZSA-N 386.898 4.822 50 1 GJGF Cc1cc(C)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c([C@@H](Cl)C2CCCCC2)c1 13824747 JEIUHLQCZMJKSE-UWVAXJGDSA-N 380.912 4.609 50 1 GJGF in-vitro Cc1ccc(C2OOC(c3ccc(CNCCc4ccccc4)cc3)OO2)cc1 72174354 WVYGXFDNVOXPHE-UHFFFAOYSA-N 391.467 4.935 50 1 GJGF O=[P@@](Nc1ccc(Cl)cn1)(c1ccccc1)c1nc2ccccc2s1 38145847 NDOLIPIIPLSHJI-DEOSSOPVSA-N 385.816 4.686 50 1 GJGF Cc1ccc(C2OOC(c3ccc(CNCc4ccccc4)cc3)OO2)cc1 72174357 ADMWNXWMIRWMAC-UHFFFAOYSA-N 377.440 4.892 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CC2CC2)N1 587673853 QVXWNEGWBOFNLK-RFAUZJTJSA-N 391.122 4.513 50 1 GJGF C#CC=CC[C@@H]1C[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@H]1Br 2356729504 MXITVBDXYLJJHK-IBPCWRJOSA-N 390.159 4.687 50 1 GJGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)[nH]1 587329172 XEQBSXSZKVEEAS-IRLDBZIGSA-N 399.849 4.969 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccccc2)N1 587685230 OPUVCKWEUJHRAV-KPZWWZAWSA-N 382.704 4.995 50 1 GJGF C/C(C(=O)CBr)=C1\C[C@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)O1 137303061 NSYOBSREGDLDDX-WENMYDOTSA-N 394.147 4.603 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587188391 RBMYKZVIZLFHMO-XYOKQWHBSA-N 383.205 4.606 50 1 GJGF CC[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587669301 CPGUGCGGJUUULG-RFXMVYNHSA-N 379.111 4.511 50 1 GJGF CCC[C@H](NC(=O)/C(C#N)=C/c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 73159777 CIZNLKGXAIWEHK-XOVFHRFOSA-N 383.835 4.813 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2Br)N1 587685981 VBEBFXLOMJHPKQ-NKZPBKNFSA-N 391.122 4.655 50 1 GJGF CC[C@@]1([C@H](C)Cl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905108 WAXOVDWXZHXASV-CMPZQBNXSA-N 395.927 4.864 50 1 GJGF N#CSCCOc1ccc(Oc2ccccc2)cc1I 29487183 JAZRWNNTADAGCP-UHFFFAOYSA-N 397.237 4.677 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423327 WZKOPQNEOXDJSM-KSSFIOAISA-N 382.765 4.596 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)Cl)N1 587689808 WMWNTWGQNASWPN-SEDUGSJDSA-N 382.704 4.993 50 1 GJGF O=C(CCCC[C@@H]1CCSS1)OC1CCN(CCc2ccccc2)CC1 95583811 YPTKVGKNUXTXKY-HXUWFJFHSA-N 393.618 4.951 50 1 GJGF C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 43511530 PPQHSJKXSUWSHC-YMBRHYMPSA-N 392.879 4.850 50 1 GJGF N#CC1=C2CC[C@H](c3ccccc3)C[C@@H]2[C@@H](c2cccnc2)C(C#N)(C#N)C1=N 169689984 AULTWENYRWMLBI-RBDMOPTHSA-N 377.451 4.636 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586973206 GUTUQDWLFMAEQK-SECBINFHSA-N 395.203 4.931 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1F 587567656 IOXOCZBFXAPCOK-DENIHFKCSA-N 398.817 4.713 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(C)(C)C)N1 587673702 PMDHGTNKSLBLON-VFZGTOFNSA-N 393.138 4.759 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2ccccc2)N1 587688659 MXIKMKPSOXNVKI-SGTLLEGYSA-N 382.704 4.799 50 1 GJGF CCCCCNCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 49803105 DLFBXEJQMSCMTE-UHFFFAOYSA-N 391.539 4.883 50 1 GJGF O=P(c1ccccc1)(c1ccccc1)[C@H](c1cccnc1)N1CCCCC1 95596215 QUQHZFNLZWQRPY-HSZRJFAPSA-N 376.440 4.580 50 1 GJGF CCCCCCc1cnc([C@]2(C)CC(c3ccc(C)cc3)=C(C#N)C(=O)N2)o1 223948173 ISZSURBMZODVKM-QHCPKHFHSA-N 377.488 4.818 50 1 GJGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)C(Cl)=CBr 2356487812 MWLCSTLCEIAZQL-UWVGGRQHSA-N 380.935 4.551 50 1 GJGF C=C[C@](Br)(CBr)CC[C@H](Br)C(C)C 1856055 LRJPUDKMTFONPR-VHSXEESVSA-N 376.958 4.901 50 1 GJGF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253634087 AYVYBHVPLAEZTM-GHXCIJNMSA-N 396.575 4.943 50 1 GJGF O=C1C[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)Oc2c1ccc1c2CCCC1 587497942 LMXGEDNDBUYEMR-GOSISDBHSA-N 387.819 4.625 50 1 GJGF C=CCC[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673146 KXGGBAGVBQBRIP-BONVTDFDSA-N 391.122 4.679 50 1 GJGF COc1ccc(C=CC(=O)C2=C(C=O)[C@H](C=O)[C@@]3(C)CCCC(C)(C)[C@H]3C2)cc1 2356400526 BJIKCZAVEKVMKG-QQKQFIJSSA-N 394.511 4.824 50 1 GJGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccccc1 299826925 FIAYFFFSQNZIKS-UHFFFAOYSA-N 382.419 4.688 50 1 GJGF COc1cc2c3c(c1)O[C@](c1c(C)[nH]c4ccccc14)([C@H](C)Cl)[C@@H](C2)C3=O 587417868 QDNRPEXQENPFPW-KFVPTDEHSA-N 381.859 4.755 50 1 GJGF CC[C@H](/C=C/[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 261523537 SGTSZTLPOBUMKG-XZAZBBQYSA-N 396.524 4.996 50 1 GJGF in-vitro O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Br)[C@@H]1c1ccc(F)cc1 587322632 HULZOKUGRCZWAD-LMMKCTJWSA-N 391.236 4.576 50 1 GJGF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@@H]2[C@@](C)(O)CCl 2356610437 JXCLTHHKAAIRJX-MNVIUDHYSA-N 398.971 4.928 50 1 GJGF COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 19825694 NEROIGXSNGEMEM-AFUMVMLFSA-N 398.466 4.619 50 1 GJGF C#CCN(/N=C/c1ccc(Br)cc1)C(=O)Nc1c(C)cccc1C 149723676 GEUKDJWPMNYDQR-FYJGNVAPSA-N 384.277 4.567 50 1 GJGF C[C@H](Br)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587669835 GAZIKIWVCQCUNT-OLBFVZFUSA-N 391.122 4.511 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(Cn2cc(N=C=S)cn2)cc1 587918832 KTELQZMPLOIGIN-UHFFFAOYSA-N 379.872 4.728 50 1 GJGF N#C/C(=C(/N)Sc1ccccc1)c1cccc([C@@H](O)c2ccc(C#N)cc2)c1 38145368 ZFTOQQHBWXKGFP-MOBKVPTQSA-N 383.476 4.583 50 1 GJGF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](C2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100570224 QAGIQKFINYERQA-IXRZGXOXSA-N 383.492 4.657 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CCl)ccc1F 587894426 JDWWUDFLKNHUDB-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF CCCCOC(=O)c1cccc2nc3c(C(=O)CCCCl)cccc3nc12 103221302 TZXOPZFYPIYCCS-UHFFFAOYSA-N 384.863 4.942 50 1 GJGF C/C=C/[C@H]1CC=CC[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)OC(C)=O)O1 71315772 BUAQGGUCIOVTOG-HXICNUICSA-N 389.717 4.659 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(Cl)cc1Cl)O2 587411276 YXMUKVKSUCFDHB-GOSISDBHSA-N 393.295 4.959 50 1 GJGF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CC=CC(C)(C)OO)[C@@H]2C[C@@H]2[C@](C)(O)C1 2356599657 IHAVJIZXNLZVTI-PIBZIWMISA-N 380.525 4.656 50 1 GJGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)[nH]1 587689994 YKLWLBOTQAVTDR-BTDLBPIBSA-N 385.708 4.550 50 1 GJGF CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 34800042 ZCKFRMIUXBQEAX-UHFFFAOYSA-N 390.274 4.729 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sccc1Cl)O2 587410117 LHFCHTQZWLVSFG-HNNXBMFYSA-N 386.698 4.548 50 1 GJGF Cc1csc([C@@H](C#N)[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535685 NPOLZHNCGFSHHS-OXQOHEQNSA-N 386.904 4.581 50 1 GJGF C[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541667 CTSLFYLGRFPNIC-DVXDUOKCSA-N 380.827 4.877 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2ccccc2)N1 587689820 WRZLHQHDWPVSAC-SGTLLEGYSA-N 382.704 4.799 50 1 GJGF C=C1CC[C@H](C)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](Br)C1 2356307432 WYPXMKLNZILWFT-LKZKFWHWSA-N 383.370 4.767 50 1 GJGF Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)[C@@H]3c1ccc(Br)cc1 103186039 ATJLSBBCNIGCKK-QGZVFWFLSA-N 392.256 4.524 50 1 GJGF CO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(CO2)[C@@]1(O)/C(C)=C/CC=C(C)C 195139606 WLIYUONMWKPBTA-NRROMFPPSA-N 396.644 4.988 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CCl)ccc1O 587542290 IKNMORNAFBXKBI-GHTZIAJQSA-N 382.799 4.540 50 1 GJGF O=C(CCC[C@H]1OO[C@H]2CCC[C@](c3ccccc3)(OO1)O2)c1ccccc1 38158876 CSPBLIGIKIVPGE-FDFHNCONSA-N 384.428 4.655 50 1 GJGF COc1ccc(C(=NNC(=O)c2cc3ccccc3cc2O)c2ccccc2)cc1 2356309842 RYONNIAEYFGXKG-UHFFFAOYSA-N 396.446 4.736 50 1 GJGF CCCCOc1cc2nc([C@H](C)Br)[nH]c2cc1Br 587009020 RPKDPDODCXXPCY-QMMMGPOBSA-N 376.092 4.960 50 1 GJGF CC(C)Oc1cc2nc(CCCCBr)[nH]c2cc1Br 586972014 BYWCBQIISIVPHK-UHFFFAOYSA-N 390.119 4.830 50 1 GJGF CSc1ccccc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587408745 ILUAQLZHXZFWRY-GOSISDBHSA-N 392.318 4.555 50 1 GJGF C[C@@H](Cl)C(=O)Nc1cccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963107323 MGXDGRBJJSHSBJ-NSPYISDASA-N 397.733 4.968 50 1 GJGF BrCCN(CCBr)c1ccccc1-c1ccccc1 169315115 HRJCNVVQUFBEDH-UHFFFAOYSA-N 383.127 4.950 50 1 GJGF Nc1cc(Br)ccc1-c1[nH]c2c(C(=O)O)cccc2c1CCl 587636790 ISIWEEIUNMGIMY-UHFFFAOYSA-N 379.641 4.617 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(N=C=S)cc1 587895760 GQNQSKISTLIUAK-UHFFFAOYSA-N 389.307 4.633 50 1 GJGF C[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 299857614 NZMAWDRECONYOL-WYAVIUHXSA-N 394.273 4.938 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587086587 DNAMKCJHOHKIHE-HNNXBMFYSA-N 377.261 4.578 50 1 GJGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587558108 PVUVBCNECNKZTL-UGKGYDQZSA-N 398.817 4.936 50 1 GJGF O=C(c1ccc(OCCCCCBr)c([N+](=O)[O-])c1)C(Cl)Cl 1857771056 JKPDPRJFAFBJCV-UHFFFAOYSA-N 399.068 4.525 50 1 GJGF N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 73159694 DURJNLSQUMSRQA-INOOMSPWSA-N 385.511 4.851 50 1 GJGF CCOC(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974247 TZKNHUPRBRHNDE-LBPRGKRZSA-N 387.277 4.786 50 1 GJGF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CBr)c1)CC2=O 587456294 MNNOVLBKKTYKQV-GOSISDBHSA-N 375.262 4.946 50 1 GJGF C[C@@H](Cl)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497545 JAOLXQXOKDUKNF-DMZKTXOQSA-N 380.875 4.930 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Cl)Cl)(C(F)(F)F)N1 587707021 SBLLQAJZXIOOMR-DYEAUMGKSA-N 395.021 4.684 50 1 GJGF CN(CCCl)c1ccc([C@H]2c3cccc(Br)c3CCN2C)cc1 963272300 ZJOOYXCPYMPZCA-IBGZPJMESA-N 393.756 4.701 50 1 GJGF C=C1CC=CC(C)(C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356729544 QHYOKLZXJMYIOC-YFYQMDMQSA-N 383.370 4.767 50 1 GJGF Cc1ccc([C@H]2[C@@H]3CCCCC=C3C(C#N)=C(N)[C@]23C(=O)Nc2ccccc23)cc1 169348682 VAPDZVUSCFUHDJ-FRPAHBMMSA-N 395.506 4.835 50 1 GJGF BrCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586971805 ZECLVRIAOCUJOQ-UHFFFAOYSA-N 396.082 4.799 50 1 GJGF FC(F)(F)c1cc2nc(/C=C\CBr)[nH]c2cc1Br 586973860 PDPBGEBJMZLPKH-UPHRSURJSA-N 383.993 4.752 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)[C@@H]1C[C@H]2CC[C@H]1C2 587546873 YKDRNNGDWVTRFY-OXVZUAPVSA-N 384.859 4.768 50 1 GJGF CC[C@H](C)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641780 WMNPGKNQYACTIK-KSKOPSKJSA-N 377.532 4.736 50 1 GJGF C=C1CC[C@]2(C)[C@H](Br)C[C@H](O)[C@](C)(O)[C@@H]2C=CCC[C@H]1C(C)C 2356590478 OSFHGDFNIHPDBE-JBKQDOAHSA-N 385.386 4.847 50 1 GJGF CCOC(=O)[C@@H](Cl)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586992383 ARHNRPVPVQLVCB-SFHVURJKSA-N 379.843 4.906 50 1 GJGF COC(=O)c1cc2nc([C@@H](Cl)CCl)[nH]c2c(F)c1Nc1ccccc1 587008320 NQEMGRXRQJJWKH-NSHDSACASA-N 382.222 4.751 50 1 GJGF COc1cc2c3c(c1)O[C@@](CBr)(C1CCCCCC1)[C@@H](C2)C3=O 587414887 YDEJBYUJMGHBEU-KXBFYZLASA-N 379.294 4.547 50 1 GJGF C[C@@]1(c2cccc(N=C=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339220 RQPYNBCKENZTAA-GGAORHGYSA-N 389.382 4.773 50 1 GJGF CC[C@H](NC(=O)CCl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587905950 NVXOQIFFYRTJRQ-SFHVURJKSA-N 376.283 4.555 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(C)(C)C)N1 587672605 GPHNGKYHEZIHQZ-PSLIRLAXSA-N 393.138 4.759 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587322633 HULZOKUGRCZWAD-LNLFQRSKSA-N 391.236 4.576 50 1 GJGF CC1=C[C@H](O)[C@@H](Br)C(C)(C)[C@@]12CCC(C)=C(Br)C2 2356606459 QRVGGXHFBGZNEV-GZBFAFLISA-N 378.148 4.936 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)ccc2O)N1 587686403 UXRZJYFJZSYVEH-VVVCHXIZSA-N 384.676 4.656 50 1 GJGF COc1ccc(/C(C)=N/NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 1857639774 LYVRVJSLNGKXSG-UBXJNSBZSA-N 380.488 4.555 50 1 GJGF Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(-c4ccccc4)cc3)[nH]n2)cc1 263590541 SASAIOZTYGUXIT-UHFFFAOYSA-N 380.451 4.816 50 3 GJGF COc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1/C=C(\C#N)C(=O)O 205339253 VOPFDHPGYLVCCO-HYARGMPZSA-N 398.462 4.894 50 1 GJGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587417305 LBWLIIPJTWUVIK-UGSOOPFHSA-N 383.658 4.884 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)([C@H](C)Br)O2 587372428 IREMFZGITHWALE-BBATYDOGSA-N 394.696 4.875 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2cc(Br)c(F)c(F)c2[nH]1 587087282 NSXGFUNPRYPILY-VIFPVBQESA-N 386.009 4.788 50 1 GJGF CC(C)[C@@H]1CC[C@@H]2[C@H](Br)C(=O)[C@H](Br)[C@@H](C)[C@]2(C)C1 103290330 RTJPAEUNQXSQFC-BQVODAHPSA-N 380.164 4.811 50 1 GJGF C=C1CC[C@@H]2O[C@@H]3C[C@]4(C)[C@@H](Br)CC[C@@](C)(O)[C@H]4C[C@]13C2(C)C 3651382 BEXLYUHLQNOFOD-BXUPJIGPSA-N 383.370 4.841 50 1 GJGF CN(C)/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 103198955 RPEVLCYMIMZZLB-JMJNUIHMSA-N 388.858 4.738 50 1 GJGF N=C(CCSSCCC(=N)NCc1ccccc1)NCc1ccccc1 169331673 LTRVTSIGOLOOGN-UHFFFAOYSA-N 386.590 4.682 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1 587570809 LYYMISAQTONROT-RXVVDRJESA-N 384.790 4.627 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2ccccc2)N1 587689819 WRZLHQHDWPVSAC-KZULUSFZSA-N 382.704 4.799 50 1 GJGF C=C1CC[C@]2(C)[C@@H](Br)C[C@@H](O)[C@@](C)(O)[C@H]2C=CCC[C@H]1C(C)C 299811202 OSFHGDFNIHPDBE-OROIIQQLSA-N 385.386 4.847 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Cl)Cl)(C(F)(F)F)N1 587707020 SBLLQAJZXIOOMR-BLTYZCFWSA-N 395.021 4.684 50 1 GJGF CCN(CC)CCOc1ccc(/C=C(\C#N)c2noc3ccc(OC)cc23)cc1 40554470 VVWLCDWPHXJBMA-NBVRZTHBSA-N 391.471 4.621 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(F)cc2)N1 587735417 PTEUNOUSJDBFEH-BMLIUANNSA-N 386.667 4.744 50 1 GJGF Cn1cccc1CN1CCc2sccc2[C@]1(CCl)COc1ccccc1 962396383 GOWJRVNBPCEPAY-NRFANRHFSA-N 386.948 4.658 50 1 GJGF O=C(O)CCCCCC[C@@]1(C(F)(F)F)OOC2(O1)C1CC3CC(C1)CC2C3 621476380 KAQMZOREGCMCLO-HRWDSRQLSA-N 392.414 4.801 50 1 GJGF C=C(c1ccc(Cl)cc1)[C@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 42891998 XZZAATTVJDTMCY-YMBRHYMPSA-N 392.879 4.850 50 1 GJGF CCc1cnc2cccc([C@@H]3C(C#N)=C(C)NC(C)=C3C(=O)OC(C)C)c2c1 205379761 VOEYZQBGJPXFOP-JOCHJYFZSA-N 375.472 4.507 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)cc1CBr 587898980 VPSVKXGEDGMTOW-UHFFFAOYSA-N 395.680 4.661 50 1 GJGF CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 13589889 QFADNOVKNDFOQL-OAHLLOKOSA-N 375.929 4.740 50 1 GJGF CN(C)CCCOc1ccccc1/C=C(\C#N)c1noc2ccc(Cl)cc12 40554526 WFYQFZAPDNBVBH-FOWTUZBSSA-N 381.863 4.876 50 1 GJGF C=CCC[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674502 XFVZXKFLCMORIB-BONVTDFDSA-N 391.122 4.679 50 1 GJGF BrCC[C@@H]1CCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961327815 VIZOBXZWVKZARJ-GUYCJALGSA-N 399.170 4.908 50 1 GJGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccc(F)cc2)n1 13647758 BJOUDSKXEQXSPP-CAPFRKAQSA-N 389.459 4.680 50 1 GJGF O=C(NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cscn1 587027353 BKYLWNGFUOWUAL-UHFFFAOYSA-N 384.355 4.607 50 1 GJGF COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587452139 MEQHVAVBMHDILN-CVDCTZTESA-N 387.460 4.706 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cccc([N+](=O)[O-])c1CBr 587898724 PJENDRWUYAJJCT-UHFFFAOYSA-N 380.625 4.552 50 1 GJGF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@]3(O)[C@@H](C(C=O)=CC[C@@H]12)[C@H](O)C[C@H]3C 1857544066 UBNPMTQHPOHFMQ-CLTMNZAJSA-N 386.576 4.845 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCC2)N1 587674405 WLNGCMCXULAPTH-BJOHPYRUSA-N 391.122 4.513 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cc1N=C=S 587893850 GVQBVJKUIGNGLB-UHFFFAOYSA-N 393.270 4.577 50 1 GJGF C=C[C@]1(C)[C@H](Cl)C[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 13360530 POWOOZMDXKYYOK-NAUADQJPSA-N 384.932 4.975 50 1 GJGF biogenic CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253634090 AYVYBHVPLAEZTM-ZQXRZJGRSA-N 396.575 4.943 50 1 GJGF Cc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614287 RTGALQHLOKCEHZ-YLJYHZDGSA-N 386.856 4.858 50 1 GJGF CC[C@@H](c1ccc(O)cc1)[C@@H](CI)c1ccc(O)cc1 5923214 BTKKPGVOGPPAAQ-IRXDYDNUSA-N 382.241 4.810 50 1 GJGF CC[C@H](c1ccc(O)cc1)[C@H](COCCOCCCl)c1ccc(O)cc1 29394080 LSDRFTUSFIXVPT-NHCUHLMSSA-N 378.896 4.647 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587372979 OMRVMQRTTDPVOS-LWLQIGSTSA-N 378.310 4.501 50 1 GJGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Cl)Cl)(C(F)(F)F)N1 587707023 SBLLQAJZXIOOMR-ULHQUTTKSA-N 395.021 4.684 50 1 GJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21c2ccccc2CC[C@H]1Cl 962697907 GWCBSJOBHGVGEN-NPFVIJTESA-N 387.951 4.987 50 1 GJGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)c3c(F)cccc3C[C@@H]3CCCN32)c1C 963103645 LTXFNUCFKZWBKF-ZWWNWMABSA-N 388.914 4.865 50 1 GJGF C=C1CC[C@H](C)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](Br)C1 2356307434 WYPXMKLNZILWFT-WNLSWUKSSA-N 383.370 4.767 50 1 GJGF CN(C)S(=O)(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1 230511963 RKCGIFYVHCYRMB-SFHVURJKSA-N 385.646 4.811 50 3 GJGF C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccc(-n2cccc2)cc1 103224102 ITHJQJCSBOONCV-XIEYBQDHSA-N 383.451 4.550 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@H]23)c(O)c1 257440302 HWLRIFRIRNSGBG-KVKCZSEOSA-N 398.499 4.596 50 1 GJGF endogenous,in-man CC1(C)O[C@@](C)([C@H]2CC[C@](C)(C#N)[C@H]3CC[C@@](C)(O)[C@H](C#N)[C@@H]32)CC[C@@H]1Cl 1772647266 UYWJZBDANPVSDN-DMYFKNOMSA-N 392.971 4.798 50 1 GJGF CNC(=O)Oc1ccc(C)cc1SSc1cc(C)ccc1OC(=O)NC 6522361 AIABPWSJRRSJQJ-UHFFFAOYSA-N 392.502 4.539 50 1 GJGF COc1ccc(C2(C(=O)NNc3cccc4ncccc34)CCCCC2)cc1 40952911 XJSCYFHIZWNRFK-UHFFFAOYSA-N 375.472 4.589 50 1 GJGF O=c1c(-c2ccc(OCCCl)cc2)coc2cc(OCCCl)ccc12 96927422 QHIYYDCZOCKYDU-UHFFFAOYSA-N 379.239 4.695 50 1 GJGF COc1ccc(OC)c(/C=N/NC(=O)Nc2ccccc2Oc2ccccc2)c1 98084316 MTUVUWVMTMWTGU-HZHRSRAPSA-N 391.427 4.652 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@]1(C)C2(C)C 587377648 OMRVMQRTTDPVOS-QUSXHRHCSA-N 378.310 4.501 50 1 GJGF O=C1[C@@H](Cl)[C@H](c2cc3ccccc3nc2S)N1c1ccccc1Cl 103196269 GJOJEGXIFADNMS-HOTGVXAUSA-N 375.280 4.872 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Cl)c(C)c1)O2 587375973 WGMVCQXJFIVARW-GOSISDBHSA-N 394.696 4.795 50 1 GJGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)Br)CC2=O 587455862 GYUPJCLYDFUHJE-RBZFPXEDSA-N 389.289 4.989 50 1 GJGF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl 587686122 SPMYDLIEOGPEAX-MLCYQJTMSA-N 398.703 4.959 50 1 GJGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CCl)c1ncccc1F 963203039 JNTOQXNQBNOPDM-FYYLOGMGSA-N 391.877 4.826 50 1 GJGF Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103205718 IXOJDIVXSJMNQW-NRFANRHFSA-N 395.462 4.958 50 1 GJGF Cc1c(N=N/C(C#N)=C(\O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 299813103 NPVOCODHKVIPND-MPICQEQLSA-N 393.834 4.672 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1)CC2=O 587457390 XXVAMJKTZQFGDK-IBGZPJMESA-N 375.262 4.600 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](OC(C)(C)C)[C@H]2Cl)N1 587706913 SOHHSSHGHCRNRV-CDFSRNEHSA-N 390.724 4.513 50 1 GJGF COc1cc2c(cc1OC)[C@@](CCl)(c1cccc(Cl)c1)N(C)[C@H](C)C2 962635118 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COc1ccc2c(c1)[C@](CCl)(c1ccc3[nH]c(O)cc3c1)N(C(C)C)CC2 962088442 HLWPNPALJKEGOT-QFIPXVFZSA-N 384.907 4.631 50 1 GJGF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(CBr)c(F)c1 963110093 ZYXZQVFWCFSGSJ-APWZRJJASA-N 378.260 4.970 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@@H](C=O)[C@@]3(C)[C@H](O)C[C@H]21 3645549 RZKMKRDUWZVLSO-RUXFPSJWSA-N 386.576 4.967 50 1 GJGF O=S(=O)(OCCCl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1580120 JLLONYIVVFQZQW-UHFFFAOYSA-N 392.902 4.898 50 1 GJGF Cc1ccccc1S/C(N)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1C 34802608 IVSLUPOACYNXLL-MXWIWYRXSA-N 378.526 4.576 50 1 GJGF CCCCOc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972209 JXUGFHMEHHYHEM-SNAWJCMRSA-N 388.103 4.912 50 1 GJGF CC[C@H](c1ccc(O)cc1)[C@@H](COCCOCCCl)c1ccc(O)cc1 29394074 LSDRFTUSFIXVPT-RTWAWAEBSA-N 378.896 4.647 50 1 GJGF Cc1ccc(NC(=O)N/N=C(\C=C\c2ccc3c(c2)OCO3)C(C)(C)C)cc1 95553963 PMHBSZMPLLRTRO-FQDPMIKOSA-N 379.460 4.961 50 1 GJGF CC1(C)[C@H](Br)CC[C@@]2(C)O/C(=C/Br)[C@@]3(C)O[C@H]3C[C@H]12 238773672 JHYKYQBUFLQJDA-BCYBPIRJSA-N 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BEMHGAHCBOLTMN-QGZVFWFLSA-N 398.659 4.625 50 1 GJGF O=C1C[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)Oc2c1ccc1c2CCCC1 587496233 CFDIQCAPYMQPBV-JOCHJYFZSA-N 381.859 4.852 50 1 GJGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCl)COc1ccccc1 962396384 GOWJRVNBPCEPAY-OAQYLSRUSA-N 386.948 4.658 50 1 GJGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c1 963107305 MGXDGRBJJSHSBJ-JEOXALJRSA-N 397.733 4.968 50 1 GJGF COc1ccc2c(Cl)c(C(=O)NN/C=C3\C(C)=Nc4ccccc43)sc2c1 100565057 BWZYEMCIAIZOIC-XNTDXEJSSA-N 397.887 4.945 50 3 GJGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1 98083528 LFSAJXMKZVMDCF-KGENOOAVSA-N 376.372 4.543 50 1 GJGF CCCCOc1cc2nc(/C=C\CBr)[nH]c2cc1Br 586972207 JXUGFHMEHHYHEM-PLNGDYQASA-N 388.103 4.912 50 1 GJGF O=C1c2ccc(O)cc2O[C@@](CCl)(C(Cl)Cl)[C@@H]1c1ccc(F)cc1 587325070 WKXRGVFHCNRJBP-RHSMWYFYSA-N 389.637 4.672 50 1 GJGF O=C1c2ccc(O)cc2OC(CCCl)(CCCl)[C@H]1c1ccc(F)cc1 587325914 HVHCPDHSSIMOLQ-KRWDZBQOSA-N 383.246 4.887 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cn(CCC#N)c3ccccc13)O2 587370648 AUGOQOWNDYRXAC-QFIPXVFZSA-N 393.874 4.545 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC[C@H]2Cl 587703894 HUCPRGXQJGARGF-RWTORFTKSA-N 394.715 4.920 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Cl)Cl)(C(F)(F)F)N1 587705331 LVRWVCYBLWZWDV-DYEAUMGKSA-N 395.021 4.684 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)nc2[nH]1 586973725 NFLBNJCDTXUKPO-SECBINFHSA-N 395.098 4.767 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccccc1 587543396 KKPBZMKTHXAQHO-DENIHFKCSA-N 380.827 4.574 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(O[C@H](C)CBr)cc1 587898337 IZGZULYOXBOMJU-CYBMUJFWSA-N 379.681 4.911 50 1 GJGF C[C@H](O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586894093 ZPNVBPVZAOFASU-YFKPBYRVSA-N 381.164 4.906 50 1 GJGF CC[C@@H](C)c1ccc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1 962930780 MLAHGIONSGORRL-MWTRTKDXSA-N 384.951 4.530 50 1 GJGF C/C(=N\NC(N)=O)c1ccc2c(c1)nc(-c1ccccc1)n2C1CCCCC1 84709364 UKZVAIJLJWJNCA-MFKUBSTISA-N 375.476 4.601 50 1 GJGF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H](C2)[C@H]1/C=N/NC(=O)Nc1ccccc1 169692175 QAGIQKFINYERQA-DMWXFITJSA-N 383.492 4.657 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CC2CC2)N1 587672027 CMQAHCQVTKPHRZ-BJOHPYRUSA-N 391.122 4.513 50 1 GJGF CCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 1857636407 OXDZSFYZLGDXBT-RCCKNPSSSA-N 387.436 4.691 50 1 GJGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1 587648810 LWDLZFYXBCKMHU-UHFFFAOYSA-N 398.709 4.740 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@@H]2Cl 587706520 QGKLLZMVQASAPR-LOTHZSBOSA-N 380.688 4.530 50 1 GJGF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)CC[C@@H]21 2356619324 BERUNAPIPIALIL-IIHANDGYSA-N 386.576 4.968 50 1 GJGF Cc1ccc([C@@H](O)c2cccc(/C(C#N)=C(\N)Sc3ccccc3N)c2)cc1 38145382 UWKDGDBQBHKQPC-UPPUFSLMSA-N 387.508 4.602 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Br)CCC3 586985920 MIXZBGJDLIFSEA-CYBMUJFWSA-N 380.241 4.924 50 1 GJGF COC(=O)C[C@H](C)CCC=C(C)CCC=C(C=O)CCC=C(C)C(=O)OC 2356497033 WZLAUFBDRGDKJA-GOSISDBHSA-N 378.509 4.717 50 1 GJGF C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)CC1 95808353 BDLGSBCMHAOQQV-GXDFBKAQSA-N 397.519 4.686 50 1 GJGF CCOC(=O)[C@H](Cl)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1F 587916271 IEOKXJLONSJBCN-GOSISDBHSA-N 381.230 4.731 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2[C@@H]1NCCc2c(C(=O)O)cccc21 963120242 FOIOHCMHECZUEE-BLRYILKCSA-N 381.516 4.549 50 1 GJGF FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 586973830 OZUGMUSDXZLASQ-UPHRSURJSA-N 399.992 4.632 50 1 GJGF Cc1csc([C@H](C#N)[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587535677 NPOLZHNCGFSHHS-JXFKEZNVSA-N 386.904 4.581 50 1 GJGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587558107 PVUVBCNECNKZTL-SIKLNZKXSA-N 398.817 4.936 50 1 GJGF C[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103198731 BOTIVXGJTHIKFS-BGHCKBSUSA-N 391.402 4.655 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587188183 PKDHHVOTQTVIOG-VBKFSLOCSA-N 389.414 4.711 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1coc3ccccc13)O2 587373541 LXJBDYQYBWAWKQ-IBGZPJMESA-N 386.245 4.579 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CC2CC2)N1 587673852 QVXWNEGWBOFNLK-PSLIRLAXSA-N 391.122 4.513 50 1 GJGF C=C[C@@](C)(O)CC[C@@H]1C(=C)[C@@H](Br)C[C@H](Br)C1(C)C 166656287 DKTCDYQKNAKCBB-UKTARXLSSA-N 380.164 4.833 50 1 GJGF C[C@H](Br)[C@]1(c2cccs2)c2ccc(F)cc2C[C@H]2CCCN21 963097874 ICQSROQTPGLQBI-WBHUJUFNSA-N 380.326 4.935 50 1 GJGF N#CC1=C(N)OC2=C(CSc3ccccc32)[C@H]1c1ccc(Br)cc1 1662859 BIZRZGQDRYKZON-KRWDZBQOSA-N 397.297 4.774 50 1 GJGF N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/O)c1ccc(Br)cc1 34493718 GAABEBDNMNGLHL-PFONDFGASA-N 377.625 4.534 50 1 GJGF COc1cc2c3c(c1)O[C@](CBr)(C1CCCCCC1)[C@@H](C2)C3=O 587414885 YDEJBYUJMGHBEU-HNAYVOBHSA-N 379.294 4.547 50 1 GJGF CC(=O)O[C@@H]1C=C(C)CC[C@](C)(CC=CC(C)(C)OO)[C@@H]2C[C@H]2[C@@](C)(O)C1 2356599656 IHAVJIZXNLZVTI-MWGJNXKLSA-N 380.525 4.656 50 1 GJGF C[C@H](Cl)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587689851 XEHUHJQGWWTRBN-FTLABTOESA-N 382.704 4.993 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)Cl)N1 587689852 XEHUHJQGWWTRBN-SEDUGSJDSA-N 382.704 4.993 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)ncc2[nH]1 586973395 JRWCKYMGYMXQKG-SECBINFHSA-N 395.098 4.767 50 1 GJGF C=C[C@@]1(C)CC(=O)CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 621431316 BDMDSPTYTZPKLI-ZCYQVOJMSA-N 392.615 4.877 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc3ccccc13)O2 587375511 UGEOZNMCJYUBRW-OAQYLSRUSA-N 396.284 4.986 50 1 GJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(C(F)(F)F)cn2)N1 962952027 PPKXLMSPISEOKS-DJJJIMSYSA-N 393.840 4.988 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@]12CC[C@@](C)(O)[C@H](Br)C2 85951476 XKZBJLLGSVRRPF-MXYBEHONSA-N 380.164 4.811 50 1 GJGF biogenic Cc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)s1 103189738 HSSSYVJXNUECEU-RDIJIJPQSA-N 391.707 4.934 50 1 GJGF [C-]#[N+]C1=C(c2ccccc2)NC(C(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 261118335 JCDAYZBRXISSGG-GOSISDBHSA-N 387.393 4.889 50 1 GJGF CCOC(=O)/C(C#N)=C(\C)c1ccc(C#Cc2cc(Cl)ccc2OC)cc1 587906032 PLFAEKADMTUHAN-HMMYKYKNSA-N 379.843 4.609 50 1 GJGF Cc1ccccc1/C=N/NC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653749371 KRVUYPIGYWYWTJ-MFKUBSTISA-N 382.419 4.532 50 1 GJGF CCCC[C@H](Br)C(=O)C(Br)=C(Cl)Br 2356663594 NMYLZTSOXQKMNR-YFKPBYRVSA-N 397.332 4.707 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCl)cc1 587543149 JNIYBCCRMVEMTI-UGKGYDQZSA-N 396.826 4.713 50 1 GJGF O=C(CCl)Nc1c(-c2ccccc2Br)[nH]c2cc(F)ccc12 587632579 KQYHPHVWOYHWBV-UHFFFAOYSA-N 381.632 4.914 50 1 GJGF CCCCCCCCCCCC(=O)c1c(C)c(CCC(=O)NN)n(C)c1C 73239809 ZHZJVLBBQMISOS-UHFFFAOYSA-N 377.573 4.668 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Cl)s1)O2 587412545 ZSYSQEWIUKMHAZ-OAHLLOKOSA-N 386.698 4.548 50 1 GJGF N#CSc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657989 HHAXVGVFDCMHKD-UHFFFAOYSA-N 391.402 4.904 50 1 GJGF CC(C)(F)[C@@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587087847 WQOWNOHLHDJOIE-INIZCTEOSA-N 375.241 4.978 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccccc1 587543408 KKPBZMKTHXAQHO-UGKGYDQZSA-N 380.827 4.574 50 1 GJGF CCCOC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1NC1CC1 13675473 WHZALKOISDRHIT-GOSISDBHSA-N 398.894 4.553 50 1 GJGF O=C1c2ccccc2-c2cc([C@@H](Cl)C(=O)C(F)(F)F)nc3cccc1c23 587103851 MAVQDRBUHNSHFL-MRXNPFEDSA-N 375.733 4.858 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)Cl)cc2)N1 587681307 KIYZOAOBAMODQN-FVMDXXJSSA-N 382.660 4.591 50 1 GJGF CC(C)c1nn(C)c2c1[C@](CCCCl)(c1ccc(F)c(Cl)c1)NCC2 962917021 KDRSENLIXJAWEK-IBGZPJMESA-N 384.326 4.744 50 1 GJGF C=CCc1ccc(O)c(-c2cc(/C=C(\C#N)C(=O)OCC)c(O)c(CC=C)c2)c1 43069564 VNPZTOQRGYCJPE-XSFVSMFZSA-N 389.451 4.692 50 1 GJGF O=C(CCC[C@H]1OO[C@H](CCCC(=O)c2ccccc2)OO1)c1ccccc1 100840816 SPQGCNKBADZAQK-SZPZYZBQSA-N 384.428 4.655 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@@]12CC[C@@](C)(O)[C@H](Br)C2 85951481 XKZBJLLGSVRRPF-CTHBEMJXSA-N 380.164 4.811 50 1 GJGF C[C@@H](OC(=O)CCCC[C@H](Cl)CCCCCC(Cl)Cl)C(=O)O 1911577528 ISBIDCLRYLGPPC-VXGBXAGGSA-N 375.720 4.925 50 1 GJGF Cc1ccccc1[C@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccc(N)cc2)c1 38145347 SEQIULPVGWPJGZ-HOGKFDNTSA-N 387.508 4.602 50 1 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169324685 VMZFRVFBWRJNEC-SZMJOESGSA-N 394.895 4.927 50 1 GJGF CC(C)N[C@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169350593 CLJJAJITPUUYLW-OSFWOZTASA-N 394.482 4.716 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2c(Cl)cc(Cl)cc21 587378181 ALEAGODFMCFEHD-IBGZPJMESA-N 387.222 4.545 50 1 GJGF O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(Br)cc1 71333560 WBMABSKEHKKHTC-SRZZPIQSSA-N 387.208 4.612 50 1 GJGF Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(O)nc1c2ccc2ccccc21 1857612830 ZAELYOJFMLBKRZ-MRXNPFEDSA-N 385.448 4.682 50 1 GJGF CCCCCCN1C(=O)/C(=N\NC(=O)c2cccc3ccccc23)c2ccccc21 40379607 SNYKBCUQIIIHBD-RWEWTDSWSA-N 399.494 4.901 50 1 GJGF C[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)CCl)[C@H]1c1ccc(Cl)cc1 221744586 NZMAWDRECONYOL-GIJMVEMTSA-N 394.273 4.938 50 1 GJGF O=C1c2ccc(O)cc2OC(CCCl)(CCCl)[C@@H]1c1ccc(F)cc1 587325915 HVHCPDHSSIMOLQ-QGZVFWFLSA-N 383.246 4.887 50 1 GJGF Cc1sc2c(c1C)CCN[C@]2(C(Br)Br)C(C)(C)C 963016805 CHOAPTVMPPBLBH-CQSZACIVSA-N 395.204 4.868 50 1 GJGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(F)c(F)c3)(C(F)(F)F)C2)cc1 1772637504 AWWSGNFCIJZZER-IBGZPJMESA-N 392.327 4.528 50 1 GJGF O=C(CCC[C@H]1OO[C@@H]2CCC[C@](c3ccccc3)(OO1)O2)c1ccccc1 38158874 CSPBLIGIKIVPGE-BHIFYINESA-N 384.428 4.655 50 1 GJGF Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 103205720 IXOJDIVXSJMNQW-OAQYLSRUSA-N 395.462 4.958 50 1 GJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC[C@@H](Br)C(=O)C2(C)C 963228151 KUGJPOUIIGTFAR-WIBUTAKZSA-N 378.354 4.691 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@]3(O)[C@H](C)C[C@H](O)[C@H]3C(C=O)=CC[C@@H]12 2356326024 UBNPMTQHPOHFMQ-ZJPAHNNKSA-N 386.576 4.845 50 1 GJGF CCCOC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1NC1CC1 13675475 WHZALKOISDRHIT-SFHVURJKSA-N 398.894 4.553 50 1 GJGF O=C(NNCCCN1c2ccccc2Sc2ccccc21)c1ccccc1 1857645535 UQZRIILERXICFB-UHFFFAOYSA-N 375.497 4.614 50 1 GJGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC=C(C)[C@@H](O)CBr 2356486650 ZDLGZFBKBCSKKQ-RDBSUJKOSA-N 380.164 4.835 50 1 GJGF CCOC(=O)[C@@]1(CCCCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497281 IPTDXERSEQCDBH-OAQYLSRUSA-N 378.896 4.632 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1ccc(F)cc1 587572596 SNPXKHHHJROQAG-KNQAVFIVSA-N 398.817 4.713 50 1 GJGF COc1cccc2cc3c(nc12)[C@](CCl)(Cc1ccc(Cl)cc1)NCC3 963048010 QUIOHIJRQJZJJS-OAQYLSRUSA-N 387.310 4.719 50 1 GJGF FC(F)(F)c1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 586974060 PUSALQWNMMRVRM-UPHRSURJSA-N 383.993 4.752 50 1 GJGF C[C@]1(c2ccccc2NC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587495818 AEAPTQTZURMPAU-JOCHJYFZSA-N 383.875 4.623 50 1 GJGF COc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587498875 PZTHDVILVOALAN-MCMMXHMISA-N 386.875 4.768 50 1 GJGF CCCc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587372537 JPAPHFXSEAKZCI-FQEVSTJZSA-N 388.305 4.785 50 1 GJGF CC1(C)[C@@H](Br)CC[C@]2(C)OC(=CBr)[C@]3(C)O[C@H]3C[C@@H]12 2356738912 JHYKYQBUFLQJDA-UQXKVLDMSA-N 394.147 4.759 50 1 GJGF CC(C)(C)N(NC(=O)c1c(F)cccc1Cl)C(=O)c1ccccc1Cl 653875518 GNDAVSFKCKEYKX-UHFFFAOYSA-N 383.250 4.718 50 1 GJGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C[C@H]1Br 587458515 KHEHFPBIJWKDQX-QUCCMNQESA-N 387.273 4.525 50 1 GJGF CCCc1c(O)ccc2c1O[C@](C)(c1csc(C(=O)CCl)c1)CC2=O 587495477 RHTAUXXCDQYURK-IBGZPJMESA-N 378.877 4.708 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)[C@H]1C[C@H]2CC[C@H]1C2 587546874 YKDRNNGDWVTRFY-PHPRLKDZSA-N 384.859 4.768 50 1 GJGF COc1cc(C(=O)O[C@H]2C=C(C=O)CCC=C(C)CCCC2(C)C)ccc1O 2356753919 PKWODAKDFQXWNM-NRFANRHFSA-N 386.488 4.988 50 1 GJGF Cc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C23C(=O)c2ccccc2C3=O)cc1 169348502 MIAFZKLMKAAMTE-GCJKJVERSA-N 394.474 4.621 50 1 GJGF FC(F)(F)c1cc(Br)cc2nc(/C=C/CBr)[nH]c12 586973358 ILXIPDYRDDEPKS-OWOJBTEDSA-N 383.993 4.752 50 1 GJGF CCOC(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974246 TZKNHUPRBRHNDE-GFCCVEGCSA-N 387.277 4.786 50 1 GJGF CC1(C)O[C@](C)([C@@H]2CC[C@](C)(C#N)[C@@H]3CC[C@](C)(O)[C@@H](C#N)[C@@H]32)CC[C@@H]1Cl 2356650888 UYWJZBDANPVSDN-FBTBGVMPSA-N 392.971 4.798 50 1 GJGF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Br)[nH]c3c2)cc1 587008544 MIWQWTHVSQBPNV-JTQLQIEISA-N 375.222 4.598 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(F)cc1 587570808 LYYMISAQTONROT-NQIIRXRSSA-N 384.790 4.627 50 1 GJGF Cc1ccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)cc1 653749310 CJDNXIVZUMPGAT-MFKUBSTISA-N 382.419 4.532 50 1 GJGF COc1cc(C(=O)O[C@@H]2C=C(C=O)CCC=C(C)CCCC2(C)C)ccc1O 2356753920 PKWODAKDFQXWNM-OAQYLSRUSA-N 386.488 4.988 50 1 GJGF C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587497548 JAOLXQXOKDUKNF-XMHCIUCPSA-N 380.875 4.930 50 1 GJGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@H]1N=C=S 13360533 POWOOZMDXKYYOK-LHRKNCQUSA-N 384.932 4.975 50 1 GJGF biogenic CC(C)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321580 KEYOBNQPPHPIAG-HKUYNNGSSA-N 393.252 4.680 50 1 GJGF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@H](C2)[C@H]1/C=N/NC(=O)Nc1ccccc1 60027390 QAGIQKFINYERQA-GUBAVVEZSA-N 383.492 4.657 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 586971191 OHFLLARWMUXJJO-SNVBAGLBSA-N 396.510 4.840 50 1 GJGF COc1cc(C(=O)O[C@@H]2/C=C(/C=O)CC/C=C(\C)CCCC2(C)C)ccc1O 238736539 PKWODAKDFQXWNM-GWKFRVEFSA-N 386.488 4.988 50 1 GJGF CC[C@@]1([C@@H](C)Cl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905109 WAXOVDWXZHXASV-IUSZMWJPSA-N 395.927 4.864 50 1 GJGF COc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587498877 PZTHDVILVOALAN-XMHCIUCPSA-N 386.875 4.768 50 1 GJGF COc1ccc(Cl)cc1C#CCc1cccc([N+](=O)[O-])c1CBr 587899038 XMAPQZIEOGDJDO-UHFFFAOYSA-N 394.652 4.746 50 1 GJGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2[nH]c(C)c(C(C)=O)c2C)N1 962963733 ZTAFXEDRZSQKGC-NYHFZMIOSA-N 383.923 4.722 50 1 GJGF O=C(NN=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1)c1ccc(F)cc1 1772577284 MMVBABLKLWKZPY-GOTSBHOMSA-N 387.458 4.778 50 1 GJGF CC1(C)CC(C)(C)c2cc(NC(=S)NNC(=O)c3ccccc3)ccc2S1 1857540228 BHOFKHZUHOTXBT-UHFFFAOYSA-N 399.585 4.870 50 1 GJGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)[C@H](F)Cl 45498168 BDQWLMXABLIXPZ-HGDYXINXSA-N 382.903 4.965 50 1 GJGF COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Br)[nH]c4c3)o2)cc1 587009237 YBTFXZVJHLLBFK-JTQLQIEISA-N 399.248 4.744 50 1 GJGF O=C1[C@@H](Cl)[C@@H](c2ccc(F)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772633390 WYTIDXDNSXBFFA-DLBZAZTESA-N 376.218 4.545 50 1 GJGF COc1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 49070653 NMQOQGZADLBRMR-ZVHZXABRSA-N 382.504 4.760 50 1 GJGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccccc2s1 95564214 XLMQKJFTONUEAF-VXLYETTFSA-N 389.274 4.523 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc3cc(O)[nH]c3cc1Cl)O2 587371038 CQBKZLNBOWAHBQ-IBGZPJMESA-N 391.254 4.517 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1coc3ccccc13)O2 587373542 LXJBDYQYBWAWKQ-LJQANCHMSA-N 386.245 4.579 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)ccc2O)N1 587686061 SIMGZVNSJHAUMU-XLFHBGCDSA-N 384.676 4.656 50 1 GJGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC[C@H](Br)C(=O)C2(C)C 963228148 KUGJPOUIIGTFAR-CFLQYTFWSA-N 378.354 4.691 50 1 GJGF Cc1ccc(C2OOC(c3ccc(CNc4cccc(O)c4)cc3)OO2)cc1 72174896 ZFKOGSKYWVZBBK-UHFFFAOYSA-N 379.412 4.920 50 1 GJGF Cc1ccc(S(=O)(=O)n2cccc2/C=C(\C#N)c2ccc(Cl)cc2)cc1 35815371 RDIXOHAPDJNURF-GHRIWEEISA-N 382.872 4.751 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 587372980 OMRVMQRTTDPVOS-PSVFENSKSA-N 378.310 4.501 50 1 GJGF N#CC1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587503525 VAVREAGOFWPSIY-QFIPXVFZSA-N 377.827 4.879 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(CCl)n2)c(F)c1 587916511 NRGWWERLTUSCFQ-UHFFFAOYSA-N 377.202 4.676 50 1 GJGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C=C2CC(C)(C)C[C@@H]23)c(O)c1 2356849117 PSYAOSKFPRSDTM-PDOGEWKWSA-N 396.483 4.516 50 1 GJGF C=C(C)[C@H](CC[C@]1(C)CCC(C)=C[C@H](OC(C)=O)C[C@](C)(O)[C@@H]2C[C@H]21)OO 2356653173 FAXDRDJWQDFFGZ-ZCPXKWAGSA-N 380.525 4.656 50 1 GJGF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCBr)ccc12 13834851 PMVOCCAHRSXBSB-UHFFFAOYSA-N 389.245 4.720 50 1 GJGF C=CCc1c(CBr)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984815 PLQMHTNCHSJCGU-UHFFFAOYSA-N 380.241 4.775 50 1 GJGF COc1ccc2c(c1)C(Cl)=C(C=O)[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]21 72170768 IPEWKPDVRIFZHI-RKLWYLGWSA-N 388.891 4.699 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C\CCl)cc1 587883382 JCLBBQGRGGUAPT-IWQZZHSRSA-N 392.713 4.956 50 1 GJGF Cn1nnc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C(F)F 587129333 WVNYCXGNCFCCHO-UHFFFAOYSA-N 375.273 4.953 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2Br)N1 587681255 KDRAVYKZDMGYGE-LYSGOOTNSA-N 391.122 4.655 50 1 GJGF C=C1C[C@H](C(C)=O)[C@H]([C@@H](C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@H]1[C@H]2OC(C)=O 2356789953 DXMXOSJSMKRWML-CPISCDCGSA-N 386.532 4.843 50 1 GJGF COC(C)(C)[C@H](Br)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586971659 VMYFMKDKWCAHLU-MRXNPFEDSA-N 390.281 4.798 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587188390 RBMYKZVIZLFHMO-WQLSENKSSA-N 383.205 4.606 50 1 GJGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCCCCCCl)(c2ccccc2)N1 962911235 ZCYYSXLJQQJEPZ-UGKGYDQZSA-N 389.898 4.858 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCC(C=O)=C2Cl)N1 587706509 QEYVOUSUPWAGFJ-OGTWGDGJSA-N 386.692 4.655 50 1 GJGF Cc1ccc(C(=O)/C=C/c2ccc(/C=N/NC(=O)c3ccccc3)cc2)c(C)c1 1772648092 HGZMKRJFLZBSGH-AROWNJAOSA-N 382.463 4.963 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)C(C)C)O2 587372067 HEJYFQSHMOTFQU-VQTJNVASSA-N 388.305 4.857 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CC)c1C)CC2=O 587459178 GQJQRBYGUGBQRA-NRFANRHFSA-N 375.896 4.882 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587683503 HLDTZRCIKMOFMF-JWYKHVQJSA-N 386.736 4.993 50 1 GJGF CC1(C)[C@H]2CC[C@]3(C)[C@@H](CO)[C@](C)(O)CC[C@@H]3[C@]2(C)CC[C@H]1Br 140151556 WVAADOIHOIZUJC-SOKRPGPDSA-N 387.402 4.762 50 1 GJGF COc1ccc(Cl)cc1C#CCc1cc([N+](=O)[O-])ccc1CBr 587899118 ZTKIBRMVKXGWMS-UHFFFAOYSA-N 394.652 4.746 50 1 GJGF O=C(O)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 72116468 GOIAJBVFHMOJSY-UHFFFAOYSA-N 384.472 4.870 50 1 GJGF Cc1ccc([C@]2(/C(C#N)=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511623 MFTITLCYOBUCLM-XDKREJCVSA-N 386.495 4.704 50 1 GJGF C[C@H](Cl)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587689807 WMWNTWGQNASWPN-FTLABTOESA-N 382.704 4.993 50 1 GJGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCCCCCCl)(c2ccccc2)N1 962911232 ZCYYSXLJQQJEPZ-SIKLNZKXSA-N 389.898 4.858 50 1 GJGF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O)OO 535385295 BBMKNIXRDCQCME-RQYADBJFSA-N 393.524 4.801 50 1 GJGF in-vitro O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CC[C@@H]2Cl 587887996 GKPWLQZKLHBENZ-SFHVURJKSA-N 392.713 4.930 50 1 GJGF O=C(CCCC[C@@H]1CCSS1)OC1CCN(Cc2ccccc2)CC1 95584500 FPKIKKBICRACBD-LJQANCHMSA-N 379.591 4.908 50 1 GJGF COc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1OC 586973467 KGAUFEBCAURYGB-NSHDSACASA-N 375.266 4.627 50 1 GJGF CC[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322487 MUEFAGDQJGSTFJ-BAXPTACRSA-N 393.252 4.822 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CCl)ccc1O 587542291 IKNMORNAFBXKBI-NQIIRXRSSA-N 382.799 4.540 50 1 GJGF COc1ccc(Cl)cc1C#Cc1ccc(CBr)cc1[N+](=O)[O-] 587898606 NLWKGJQBSKBSJQ-UHFFFAOYSA-N 380.625 4.552 50 1 GJGF CN(C)CCSSCCCNC(=O)c1ccccc1Oc1ccccc1 618008863 MIBCIHBULIMQNM-UHFFFAOYSA-N 390.574 4.542 50 1 GJGF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@@H](Br)C(=O)C2(C)C 963228152 KUGJPOUIIGTFAR-ZTQAJYAQSA-N 378.354 4.691 50 1 GJGF CCc1ccc(-c2nn(C[C@@H](Cl)c3ccccc3)c3ncnc(N)c23)cc1 1857563651 RGLUWOWITHGJPS-QGZVFWFLSA-N 377.879 4.618 50 1 GJGF CCCc1c(O)ccc2c1O[C@H](c1cc(CCl)c3c(c1)COCO3)CC2=O 587461664 RYSOXBVKFHMXJG-IBGZPJMESA-N 388.847 4.657 50 1 GJGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]21c2ccccc2CC[C@@H]1Cl 962697909 GWCBSJOBHGVGEN-URZJWIJPSA-N 387.951 4.987 50 1 GJGF Cc1ccc([C@H](Br)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169349017 MHYXZLKZAVDNKV-SFHVURJKSA-N 379.261 4.885 50 1 GJGF COc1cccc(-c2cc(CNC(=O)[C@H](C)Cl)nc3c2oc2ccccc23)c1 587359446 YNUVSLGHCAZYBL-ZDUSSCGKSA-N 394.858 4.900 50 1 GJGF Fc1cccc2c1[C@H](c1ccc(OCCBr)cc1)N1CCC[C@@H]1C2 963094310 CMYTTWANHGBPFQ-UZLBHIALSA-N 390.296 4.709 50 1 GJGF CC(C(=O)CBr)=C1C[C@H]2C(C)(C)[C@@H](Br)CC[C@@]2(C)O1 2356457383 NSYOBSREGDLDDX-KCQAQPDRSA-N 394.147 4.603 50 1 GJGF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C 27752023 KYNGRVNVTPVYIO-CVEARBPZSA-N 375.306 4.944 50 1 GJGF C[C@@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(O)cc1 299859016 VILKETMYBMOTQK-WYAVIUHXSA-N 392.282 4.504 50 1 GJGF C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)ccnc2[nH]1 586974450 WRDIGUGHDRMUDA-SECBINFHSA-N 395.098 4.767 50 1 GJGF COc1cccc(-c2c(C)c(CNC(=O)CCl)nc3c2oc2ccccc23)c1 587358138 PDJHNGKYWQQLPL-UHFFFAOYSA-N 394.858 4.820 50 1 GJGF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC[C@H]2[C@](C)(O)CCl 2356610436 JXCLTHHKAAIRJX-LMYCIYFBSA-N 398.971 4.928 50 1 GJGF COc1cccc(CO[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CBr)c1 72102914 IDANHJVNMORBOH-XUVXKRRUSA-N 389.289 4.672 50 1 GJGF CC1(C)C[C@H](Br)C[C@](C)(O)[C@]12C=CC(=CBr)CC2 2356557098 AAUMBOCDCYMWBT-QEJZJMRPSA-N 378.148 4.936 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@H]2Cl 587706523 QGKLLZMVQASAPR-QEIWDELWSA-N 380.688 4.530 50 1 GJGF CCc1nn(C)c(C(=O)N[C@H](CCl)c2ccc(C(C)(C)C)cc2)c1Cl 103169911 YCNOZPZQQRSFRT-OAHLLOKOSA-N 382.335 4.643 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3ccccc3c1)O2 587373649 MPIDUENSQNHOLI-OAQYLSRUSA-N 396.284 4.986 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CCl)cc1F 587893936 KMQMEICKLHZYMU-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCBr)(c1ccc(F)cc1)O2 587384831 PLCHQMMTACKZLO-IBGZPJMESA-N 392.268 4.752 50 1 GJGF C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 1199843 IDRBCLHATGFABF-IDUWFGFVSA-N 392.105 4.971 50 1 GJGF CCCCCCN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3c2)c2ccccc21 40861369 ILTAUDWTEZUWGT-RWEWTDSWSA-N 399.494 4.901 50 1 GJGF C=C(c1ccc(Cl)cc1)[C@@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 42892003 XZZAATTVJDTMCY-ZQRQZVKFSA-N 392.879 4.850 50 1 GJGF C[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N(C(=O)CCl)[C@H]1c1ccc(O)cc1 221744829 VILKETMYBMOTQK-GIJMVEMTSA-N 392.282 4.504 50 1 GJGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 103209821 BTGQMARYGBZEQV-FQEVSTJZSA-N 399.425 4.789 50 1 GJGF O=C1c2ccccc2-c2cc([C@H](Cl)C(=O)C(F)(F)F)nc3ccc(O)c1c23 586985365 CKVGLKLUJCTYTH-INIZCTEOSA-N 391.732 4.563 50 1 GJGF [C-]#[N+]C1=C(c2ccccc2)NC(C(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 261118338 JCDAYZBRXISSGG-SFHVURJKSA-N 387.393 4.889 50 1 GJGF C=CCN(Cc1ccc(C#Cc2cc(Cl)ccc2OC)s1)C(=O)CCl 587920630 KKULZTGIOCZGEA-UHFFFAOYSA-N 394.323 4.563 50 1 GJGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3c(F)cccc3C[C@H]3CCCN32)cc1 963097778 NMMXKEYLCISQPW-BPSNYSSFSA-N 386.898 4.676 50 1 GJGF COc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)cc1 1772638907 IKWZWEAMEVAVPQ-AJPHYDNBSA-N 384.435 4.628 50 1 GJGF CC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587498546 OIDHTYBTVKUBNL-JOCHJYFZSA-N 385.891 4.812 50 1 GJGF COc1nc2nc(C)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1 473159243 WAYOMPMGJZBYHI-UHFFFAOYSA-N 381.330 4.842 50 1 GJGF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@H]2Cl)[C@H]1c1ccc(F)cc1 587329274 LAAHMYDMWXVKFS-GIWBLDEGSA-N 394.829 4.949 50 1 GJGF CC(=O)Oc1ccc(C[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496817 FUDCLUWTIADUBX-QHCPKHFHSA-N 398.886 4.676 50 1 GJGF O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 84670974 HVVDLFDABJXQKQ-UHFFFAOYSA-N 395.846 4.595 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1ccc(F)cc1 587572597 SNPXKHHHJROQAG-SIKLNZKXSA-N 398.817 4.713 50 1 GJGF CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 100641476 KUEHNLZVHCUTAI-IBGZPJMESA-N 382.485 4.561 50 1 GJGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C[C@H]1Br 587458516 KHEHFPBIJWKDQX-UYAOXDASSA-N 387.273 4.525 50 1 GJGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccccc1 587544231 NGJHRHKKWIUWEK-DENIHFKCSA-N 380.827 4.878 50 1 GJGF CC(C=O)=CC=CC=C(C)C=CC=C(C)C(=O)C[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 2356663572 MFXMPUIXRGTKOU-IEZKXTBUSA-N 398.543 4.804 50 1 GJGF C[C@@]1(CCCBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319217 ASRZUOSXKMBUGM-MJGOQNOKSA-N 393.252 4.824 50 1 GJGF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(C=O)=CC[C@H]12)[C@H](O)C[C@@]3(C)O 2356534566 FOEYJNQZQGLUKQ-FNKYQICMSA-N 386.576 4.845 50 1 GJGF CC(C)[C@]1(O)C[C@@H]2C[C@H]3[C@H]4[C@](C)(CC[C@@]31C2)[C@@H](Br)CC[C@@]4(C)O 238741807 WHLAGUKIUYKHHP-OFRYCBQKSA-N 385.386 4.514 50 1 GJGF CC1(C)[C@@H](I)CC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)OC[C@@H]21 95603896 VNMPFVFNSLCGTC-PVIIJVKYSA-N 392.277 4.568 50 1 GJGF Cc1cc2c(cc1C)C(Cl)=C(C(=O)NNC(=S)Nc1ccccc1)CCC2 299854509 AALJSIRAKPWXNZ-UHFFFAOYSA-N 399.947 4.607 50 1 GJGF N#CC1=COc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587340156 UJKDKYUCGBMMIH-VWNXMTODSA-N 399.377 4.586 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](C)Cl)O2 587370669 HHBOWOJTPKZMFP-BBATYDOGSA-N 394.696 4.828 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1[nH]c(C)c(C(C)=O)c1C)CC2=O 587458414 BDRKDZHUQLTIBF-NRFANRHFSA-N 389.879 4.592 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ncccc13)([C@H](C)Cl)CC2=O 587459323 OEYGXZCGAQLLAW-LAJNKCICSA-N 384.863 4.709 50 1 GJGF COc1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)c1 1860385 VRBJCJNVLXEKKP-ZNFPLGDCSA-N 392.886 4.813 50 1 GJGF Cc1cc2c(C(=O)NN(C(=O)c3cccc(Cl)c3)C(C)(C)C)cccc2o1 103215831 IRCIKNVQJQEPOA-UHFFFAOYSA-N 384.863 4.980 50 1 GJGF C[C@@]1(c2ccc(N=C=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339667 SJVMJVLGUHLEJI-GMAHTHKFSA-N 389.382 4.773 50 1 GJGF CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72175879 BHFSSFUJXXYCQR-ISLYRVAYSA-N 398.162 4.862 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1sccc1Cl)O2 587410119 LHFCHTQZWLVSFG-OAHLLOKOSA-N 386.698 4.548 50 1 GJGF CCOC(=O)NCCCC(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1 1857566194 LNXGNVMEEJAOSX-UHFFFAOYSA-N 394.588 4.673 50 1 GJGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)[C@H](O)C[C@H]21 40918677 RZKMKRDUWZVLSO-DSJLVYBMSA-N 386.576 4.967 50 1 GJGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)c(Cl)c1 149719572 SUQBLUHZIXOIAQ-DJKKODMXSA-N 380.673 4.875 50 1 GJGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)[nH]1 587329125 XEQBSXSZKVEEAS-IFMALSPDSA-N 399.849 4.969 50 1 GJGF Cc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614285 RTGALQHLOKCEHZ-PXNSSMCTSA-N 386.856 4.858 50 1 GJGF O=C1[C@H](Cl)[C@@H](c2ccc(F)cc2)N1Nc1ccnc2cc(Cl)ccc12 1772633391 WYTIDXDNSXBFFA-IAGOWNOFSA-N 376.218 4.545 50 1 GJGF COc1ccc(/C=C/C(=O)C2=C(C=O)[C@H](C=O)[C@@]3(C)CCCC(C)(C)[C@@H]3C2)cc1 238759592 BJIKCZAVEKVMKG-WNZMSRFZSA-N 394.511 4.824 50 1 GJGF CC[C@@H](c1ccc(O)cc1)[C@H](COCCOCCCl)c1ccc(O)cc1 29394083 LSDRFTUSFIXVPT-LEWJYISDSA-N 378.896 4.647 50 1 GJGF COc1ccc2ccccc2c1C=NNC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 261141637 NEROIGXSNGEMEM-UHFFFAOYSA-N 398.466 4.619 50 3 GJGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 136021875 VMZFRVFBWRJNEC-YBVSZUDCSA-N 394.895 4.927 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(C)(C)c1ccccc1)O2 587372105 HMGLAQXTXYHAMV-HXUWFJFHSA-N 388.305 4.654 50 1 GJGF Cc1ccccc1NC(=O)N/N=C(\C=C\c1ccc2c(c1)OCO2)C(C)(C)C 95553739 DPFFJNPUYIBQBZ-SJIKUXLXSA-N 379.460 4.961 50 1 GJGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 98083779 RIJCEAMBBJPBPX-KGENOOAVSA-N 376.372 4.543 50 1 GJGF Cc1ccc(/C=C(/C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587187909 MVJSAFXFHDVSAG-SDQBBNPISA-N 378.304 4.985 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1C)CC2=O 587456310 NAHIMEIDKKASRW-FQEVSTJZSA-N 389.289 4.909 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587683323 GNHDGCULGWGALA-XIKOKIGWSA-N 382.704 4.913 50 1 GJGF COc1ccc(Cl)cc1C#Cc1cc(Br)cc(C(=O)Cl)c1 587902191 NMAWPJADABQFRX-UHFFFAOYSA-N 384.056 4.890 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587188376 QTGDTQWYNYXMJL-WUXMJOGZSA-N 383.205 4.606 50 1 GJGF CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCOCc1ccc(F)cc1)CCC[C@@H]3C[C@@H]2C 38158731 FVPPABUGJLGXHV-ONRPHJKZSA-N 394.483 4.594 50 1 GJGF C[C@H](Cl)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543872 MAWBYAXJMVNOSL-RWAHWCJQSA-N 394.854 4.963 50 1 GJGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)cc1CCl 587894213 VJUAJOKEJORPIX-UHFFFAOYSA-N 384.665 4.582 50 1 GJGF CN(C)/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O1 103198953 RPEVLCYMIMZZLB-KXQYEYADSA-N 388.858 4.738 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2Br)N1 587685979 VBEBFXLOMJHPKQ-DFKRKDTASA-N 391.122 4.655 50 1 GJGF O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCBr)ccc12 66112627 CPDDTSSLEFCRSH-UHFFFAOYSA-N 379.637 4.887 50 1 GJGF CCCCC/C=C\C/C=C\C/C=C\C=C\C(CCCC(=O)O)=N\NC(N)=O 36222987 BDEMQHBVNKRQKN-DVXIHGGESA-N 375.513 4.851 50 1 GJGF O=C(CBr)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587627640 GJGAEAPJNSNJQB-UHFFFAOYSA-N 381.632 4.961 50 1 GJGF CC1=Nc2ccccc2/C1=C/NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 100537934 MBNVKMXCUDXCHL-YHBLIXGUSA-N 393.490 4.761 50 3 GJGF Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(C(Cl)Cl)n1-2 136039181 ALDLAYYEXQNJLY-UHFFFAOYSA-N 377.662 4.748 50 1 GJGF CCCCC/C=C\C/C=C\C/C=C\C=C/C(CCCC(=O)O)=N/NC(N)=O 169301342 BDEMQHBVNKRQKN-ZLMIBSIYSA-N 375.513 4.851 50 1 GJGF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C(C#N)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253634088 AYVYBHVPLAEZTM-JYDHOPOBSA-N 396.575 4.943 50 1 GJGF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C=NNC(=O)Nc1ccccc1 256111390 QAGIQKFINYERQA-SZTNODSSSA-N 383.492 4.657 50 1 GJGF in-vitro C[C@@H](c1ccc(CBr)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586973348 IDNOOPZWACHGKF-LBPRGKRZSA-N 399.267 4.934 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCC(C=O)=C2Cl)N1 587706507 QEYVOUSUPWAGFJ-KSYCPYKJSA-N 386.692 4.655 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)cc(Br)c2[nH]1 586971190 OHFLLARWMUXJJO-JTQLQIEISA-N 396.510 4.840 50 1 GJGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)[C@H]1C[C@H]2CC[C@H]1C2 587546872 YKDRNNGDWVTRFY-FEZTVTASSA-N 384.859 4.768 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@H]2Cl 587701052 ADEGDEKQHHXFGA-YZOQQBSESA-N 380.688 4.530 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587846466 HSEYTTKYPIVMIL-ABKXIKBNSA-N 388.733 4.975 50 1 GJGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Br)CCC3 586985921 MIXZBGJDLIFSEA-ZDUSSCGKSA-N 380.241 4.924 50 1 GJGF C=C(C)[C@@H](CCC(C)=CCOc1cc(O)cc(O)c1C(=O)[C@H](C)CC)OO 2356779596 BMEORAQEILRDFC-CRAIPNDOSA-N 378.465 4.866 50 1 GJGF CC(=CC[C@@H](O)[C@@](C)(Br)CCl)C(Cl)=CBr 2356487814 MWLCSTLCEIAZQL-ZJUUUORDSA-N 380.935 4.551 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Cl)c(C)c1)O2 587375977 WGMVCQXJFIVARW-SFHVURJKSA-N 394.696 4.795 50 1 GJGF C=C1C(=O)O[C@@H](CCCCCCCC)[C@@H]1C(=O)NNc1cccc(Cl)c1 43462885 MMCQCSSIIHZVLH-ZWKOTPCHSA-N 378.900 4.632 50 1 GJGF C=CCC[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673147 KXGGBAGVBQBRIP-MEBBXXQBSA-N 391.122 4.679 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587687297 ZRVYPPRQORLYIN-JWYKHVQJSA-N 386.736 4.993 50 1 GJGF FC(F)(F)Oc1cc2nc(/C=C/CBr)[nH]c2cc1Br 586972745 ATDIHCNGKCKNSN-OWOJBTEDSA-N 399.992 4.632 50 1 GJGF CC(C)(F)[C@H](Br)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587087848 WQOWNOHLHDJOIE-MRXNPFEDSA-N 375.241 4.978 50 1 GJGF Cc1ccc(/C=C(\C#N)c2nc3ccc(I)cc3[nH]2)cc1 587187801 KXGNPDUITRNPFG-MDWZMJQESA-N 385.208 4.540 50 1 GJGF O=C(NNC1CCCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642128 BBSQNNOVFGKHOQ-UHFFFAOYSA-N 389.543 4.880 50 1 GJGF CCCN[C@H](c1ccc(/C=C/C#N)cc1)c1ccnc(Nc2ccc(C#N)cc2)n1 169350586 ABKWATQDIFNAMK-OSFWOZTASA-N 394.482 4.718 50 1 GJGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(C)(C)C)N1 587672606 GPHNGKYHEZIHQZ-RFAUZJTJSA-N 393.138 4.759 50 1 GJGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Cl)Cl)(C(F)(F)F)N1 587705333 LVRWVCYBLWZWDV-ULHQUTTKSA-N 395.021 4.684 50 1 GJGF COC(C)(C)[C@@H](Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 586970441 BCMRLNHRHNKCRS-INIZCTEOSA-N 385.265 4.520 50 1 GJGF Cc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587682524 CPEZLBJDDHGXML-XIKOKIGWSA-N 382.704 4.913 50 1 GJGF O=C1OC(=O)c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)ccc21 586906645 OUMHWPBFDDOXJU-UHFFFAOYSA-N 397.415 4.817 50 1 GJGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 587326682 MOOXXCYUDWFVNT-IFMALSPDSA-N 398.817 4.730 50 1 GJGF COc1c(C)cc([C@@]2(CBr)NCCc3ccc(F)c(C)c32)cc1C 962148231 RQRDLKBRHUUDJV-HXUWFJFHSA-N 392.312 4.544 50 1 GJGF Nc1ncnc2c1c(-c1cccc(Cl)c1)nn2C[C@H](Cl)c1ccccc1 1857547537 AZBMKUCWLPFTGQ-HNNXBMFYSA-N 384.270 4.709 50 1 GJGF CCCC[C@@H](Cl)C(=O)C(Br)=C(Br)Br 14769519 VWWNOUQQTBMHRI-RXMQYKEDSA-N 397.332 4.707 50 1 GJGF biogenic O=c1cc(CCl)c2ccc(OCc3cccc(Br)c3)cc2o1 103243537 GCVQPKZTIVRHFR-UHFFFAOYSA-N 379.637 4.873 50 1 GJGF CC(=CBr)[C@@H](Cl)CC(Cl)=C(C)[C@@H](O)CBr 2356802658 SNFHWEQVTWTDNJ-WPRPVWTQSA-N 380.935 4.551 50 1 GJGF Cc1ccc2c3c(c4c(nc13)C(=O)[C@H](Br)CC4)-c1ccccc1C2=O 586993763 NUTGAJDQCGYZLS-OAHLLOKOSA-N 392.252 4.647 50 1 GJGF O=C(N/N=C1\C(=O)N(CCC2CCCCC2)c2ccccc21)Nc1ccccc1 40846532 HNIIVBMNHAVJBD-DAFNUICNSA-N 390.487 4.529 50 1 GJGF Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)cc1Cl 169335075 DWYGHADSZWXGMA-DJKKODMXSA-N 380.673 4.875 50 1 GJGF O=C1c2ccccc2-c2cc([C@@H](Cl)C(=O)C(F)(F)F)nc3ccc(O)c1c23 586985368 CKVGLKLUJCTYTH-MRXNPFEDSA-N 391.732 4.563 50 1 GJGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(F)c1)CC2=O 587469412 ZOKMLSJFUVTHPC-IBGZPJMESA-N 393.252 4.739 50 1 GJGF CCOC(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(=S)S1)OCC 195517458 OSQXNCWSEMYIRN-QWHCGFSZSA-N 380.648 4.583 50 1 GJGF C[C@]1(Cl)CC[C@]2(CC(Br)=C[C@@H]3O[C@]32C)C[C@@H]1Br 169301092 ZIRXBRVKWMOWIG-NWBUJAPZSA-N 384.539 4.758 50 1 GJGF FC(F)(F)Oc1cc(Br)cc2nc([C@@H](Cl)CCl)[nH]c12 587008292 NCPFDSHYYOLZTK-YFKPBYRVSA-N 377.975 4.743 50 1 GJGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCBr)N1 587674674 YXTQSZMNPXRTGR-OTYXRUKQSA-N 379.111 4.513 50 1 GJGF CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C/C=C/[C@H](CCC(=O)O)OO 231931839 ZKUDWLWHTKEJGJ-YWYVMRIASA-N 376.493 4.988 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cc1ccccc1Br)O2 587377846 PFQXRDMSWCQFMO-GOSISDBHSA-N 394.696 4.525 50 1 GJGF Cc1cc2nc(-c3ccc(C(=O)N/N=C/c4cccc(F)c4)cc3)[nH]c2cc1C 1857577063 KVZYOVCMHQNMLC-DHRITJCHSA-N 386.430 4.750 50 1 GJGF O=c1c2ccccc2oc2cc(OC[C@@H](Cl)CSCCCl)cc(O)c12 71294323 YGRAMPWCRQUEQK-LLVKDONJSA-N 399.295 4.610 50 1 GJGF CC[C@@H](/C=C/[C@@H]1[C@@H]2C[C@H](OO2)[C@@H]1/C=C/CCCCCCCCC(=O)OC)OO 100095014 SGTSZTLPOBUMKG-JFIFOVTMSA-N 396.524 4.996 50 1 GJGF in-vitro CSc1ccccc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C 653857972 RRPUNSGVNSXZCY-UHFFFAOYSA-N 376.909 4.648 50 1 GJGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCl)(c1ccc(Br)cc1)O2 587372080 NWGVKEJCVWNGAV-SFHVURJKSA-N 394.696 4.829 50 1 GJGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)[C@@H](F)Cl 45498166 BDQWLMXABLIXPZ-WPWXJNKXSA-N 382.903 4.965 50 1 GJGF COc1cc(SSc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 78206036 YMVGXEOYSWMCKV-UHFFFAOYSA-N 398.502 4.538 50 1 GJGF CCOC(=O)[C@]1(CCCCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497280 IPTDXERSEQCDBH-NRFANRHFSA-N 378.896 4.632 50 1 GJGF